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 Set 1.1: A 42 TYR OH : rot 180:sc= -0.923 USER MOD Set 1.2: A 56 ASN : amide:sc= -3.09 K(o=-4,f=-5.9!) USER MOD Single : A 43 SER OG : rot 61:sc= 0.943 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -5.23! C(o=-6.5!,f=-5.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -2.27 F(o=-4.5!,f=-2.3) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.261 (180deg=-0.855) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -96:sc= 1.3 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= -0.0357 (180deg=-0.386) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -8.930 -15.443 -6.759 1.00 0.00 N ATOM 2 CA ASP A 39 -9.173 -14.304 -7.676 1.00 0.00 C ATOM 3 C ASP A 39 -8.861 -12.989 -6.971 1.00 0.00 C ATOM 4 O ASP A 39 -8.450 -12.976 -5.828 1.00 0.00 O ATOM 5 CB ASP A 39 -10.647 -14.289 -8.110 1.00 0.00 C ATOM 6 CG ASP A 39 -11.058 -15.698 -8.547 1.00 0.00 C ATOM 7 OD1 ASP A 39 -10.186 -16.383 -9.054 1.00 0.00 O ATOM 8 OD2 ASP A 39 -12.221 -16.008 -8.348 1.00 0.00 O ATOM 0 HA ASP A 39 -8.528 -14.418 -8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.277 -13.952 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.790 -13.585 -8.930 1.00 0.00 H new ATOM 15 N ARG A 40 -9.063 -11.898 -7.669 1.00 0.00 N ATOM 16 CA ARG A 40 -8.784 -10.565 -7.059 1.00 0.00 C ATOM 17 C ARG A 40 -9.657 -9.475 -7.705 1.00 0.00 C ATOM 18 O ARG A 40 -9.158 -8.610 -8.398 1.00 0.00 O ATOM 19 CB ARG A 40 -7.300 -10.231 -7.323 1.00 0.00 C ATOM 20 CG ARG A 40 -6.841 -9.131 -6.355 1.00 0.00 C ATOM 21 CD ARG A 40 -5.554 -8.481 -6.894 1.00 0.00 C ATOM 22 NE ARG A 40 -4.756 -9.515 -7.646 1.00 0.00 N ATOM 23 CZ ARG A 40 -3.559 -9.856 -7.229 1.00 0.00 C ATOM 24 NH1 ARG A 40 -3.444 -10.512 -6.108 1.00 0.00 N ATOM 25 NH2 ARG A 40 -2.523 -9.529 -7.953 1.00 0.00 N ATOM 0 H ARG A 40 -9.407 -11.875 -8.629 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.005 -10.599 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.687 -11.123 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.169 -9.901 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.622 -8.379 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.662 -9.553 -5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.801 -7.646 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.964 -8.076 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.147 -9.951 -8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.277 -10.752 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.521 -10.785 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.652 -9.017 -8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.585 -9.785 -7.646 1.00 0.00 H new ATOM 39 N PRO A 41 -10.962 -9.540 -7.460 1.00 0.00 N ATOM 40 CA PRO A 41 -11.893 -8.559 -8.020 1.00 0.00 C ATOM 41 C PRO A 41 -11.785 -7.190 -7.321 1.00 0.00 C ATOM 42 O PRO A 41 -12.153 -6.180 -7.889 1.00 0.00 O ATOM 43 CB PRO A 41 -13.309 -9.175 -7.769 1.00 0.00 C ATOM 44 CG PRO A 41 -13.114 -10.379 -6.783 1.00 0.00 C ATOM 45 CD PRO A 41 -11.584 -10.601 -6.637 1.00 0.00 C ATOM 0 HA PRO A 41 -11.683 -8.374 -9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.983 -8.432 -7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.755 -9.511 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.567 -10.163 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.599 -11.276 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.272 -10.526 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.294 -11.592 -6.986 1.00 0.00 H new ATOM 53 N TYR A 42 -11.279 -7.180 -6.103 1.00 0.00 N ATOM 54 CA TYR A 42 -11.151 -5.876 -5.369 1.00 0.00 C ATOM 55 C TYR A 42 -9.781 -5.262 -5.539 1.00 0.00 C ATOM 56 O TYR A 42 -9.020 -5.139 -4.610 1.00 0.00 O ATOM 57 CB TYR A 42 -11.441 -6.116 -3.867 1.00 0.00 C ATOM 58 CG TYR A 42 -12.950 -6.302 -3.706 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.812 -5.251 -3.962 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.475 -7.521 -3.346 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.174 -5.420 -3.861 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.839 -7.693 -3.244 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.700 -6.644 -3.501 1.00 0.00 C ATOM 64 OH TYR A 42 -17.065 -6.817 -3.403 1.00 0.00 O ATOM 0 H TYR A 42 -10.955 -8.003 -5.595 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.872 -5.175 -5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.907 -6.997 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.095 -5.271 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.412 -4.288 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.814 -8.350 -3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.835 -4.590 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.238 -8.656 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.260 -7.741 -3.139 1.00 0.00 H new ATOM 74 N SER A 43 -9.504 -4.876 -6.747 1.00 0.00 N ATOM 75 CA SER A 43 -8.184 -4.245 -7.065 1.00 0.00 C ATOM 76 C SER A 43 -8.402 -2.791 -7.456 1.00 0.00 C ATOM 77 O SER A 43 -8.967 -2.508 -8.494 1.00 0.00 O ATOM 78 CB SER A 43 -7.563 -4.989 -8.254 1.00 0.00 C ATOM 79 OG SER A 43 -8.479 -4.771 -9.316 1.00 0.00 O ATOM 0 H SER A 43 -10.137 -4.968 -7.541 1.00 0.00 H new ATOM 0 HA SER A 43 -7.527 -4.297 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.574 -4.600 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.445 -6.052 -8.042 1.00 0.00 H new ATOM 0 HG SER A 43 -8.546 -3.810 -9.498 1.00 0.00 H new ATOM 85 N CYS A 44 -7.951 -1.886 -6.623 1.00 0.00 N ATOM 86 CA CYS A 44 -8.140 -0.429 -6.955 1.00 0.00 C ATOM 87 C CYS A 44 -6.980 0.115 -7.785 1.00 0.00 C ATOM 88 O CYS A 44 -5.869 0.211 -7.311 1.00 0.00 O ATOM 89 CB CYS A 44 -8.203 0.379 -5.659 1.00 0.00 C ATOM 90 SG CYS A 44 -7.881 2.136 -5.815 1.00 0.00 S ATOM 0 H CYS A 44 -7.470 -2.080 -5.745 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.063 -0.339 -7.528 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.192 0.248 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.484 -0.042 -4.956 1.00 0.00 H new ATOM 95 N ASP A 45 -7.274 0.500 -9.003 1.00 0.00 N ATOM 96 CA ASP A 45 -6.203 1.046 -9.896 1.00 0.00 C ATOM 97 C ASP A 45 -6.114 2.569 -9.816 1.00 0.00 C ATOM 98 O ASP A 45 -6.295 3.251 -10.806 1.00 0.00 O ATOM 99 CB ASP A 45 -6.550 0.654 -11.341 1.00 0.00 C ATOM 100 CG ASP A 45 -5.317 0.844 -12.229 1.00 0.00 C ATOM 101 OD1 ASP A 45 -4.546 1.730 -11.901 1.00 0.00 O ATOM 102 OD2 ASP A 45 -5.217 0.091 -13.183 1.00 0.00 O ATOM 0 H ASP A 45 -8.205 0.460 -9.417 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.244 0.636 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.882 -0.383 -11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.374 1.266 -11.708 1.00 0.00 H new ATOM 107 N HIS A 46 -5.837 3.084 -8.638 1.00 0.00 N ATOM 108 CA HIS A 46 -5.732 4.560 -8.488 1.00 0.00 C ATOM 109 C HIS A 46 -4.257 4.996 -8.742 1.00 0.00 C ATOM 110 O HIS A 46 -3.348 4.314 -8.320 1.00 0.00 O ATOM 111 CB HIS A 46 -6.128 4.885 -7.032 1.00 0.00 C ATOM 112 CG HIS A 46 -5.931 6.369 -6.746 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.856 7.015 -6.179 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.770 7.262 -6.986 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -5.124 8.349 -6.107 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -6.346 8.404 -6.636 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.682 2.546 -7.786 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.376 5.083 -9.195 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.169 4.610 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.525 4.292 -6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.736 7.084 -7.435 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.509 9.150 -5.723 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.879 9.267 -6.747 1.00 0.00 H new ATOM 124 N PRO A 47 -4.032 6.127 -9.430 1.00 0.00 N ATOM 125 CA PRO A 47 -2.662 6.574 -9.693 1.00 0.00 C ATOM 126 C PRO A 47 -1.795 6.503 -8.431 1.00 0.00 C ATOM 127 O PRO A 47 -2.110 7.101 -7.421 1.00 0.00 O ATOM 128 CB PRO A 47 -2.809 8.043 -10.196 1.00 0.00 C ATOM 129 CG PRO A 47 -4.340 8.291 -10.436 1.00 0.00 C ATOM 130 CD PRO A 47 -5.089 7.021 -9.946 1.00 0.00 C ATOM 0 HA PRO A 47 -2.163 5.939 -10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.415 8.744 -9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.244 8.195 -11.116 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.678 9.172 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.540 8.473 -11.492 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.813 7.265 -9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.641 6.550 -10.759 1.00 0.00 H new ATOM 138 N GLY A 48 -0.715 5.768 -8.521 1.00 0.00 N ATOM 139 CA GLY A 48 0.185 5.639 -7.341 1.00 0.00 C ATOM 140 C GLY A 48 -0.466 4.745 -6.289 1.00 0.00 C ATOM 141 O GLY A 48 -0.639 5.142 -5.153 1.00 0.00 O ATOM 0 H GLY A 48 -0.422 5.257 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.143 5.218 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.390 6.623 -6.919 1.00 0.00 H new ATOM 145 N CYS A 49 -0.820 3.544 -6.691 1.00 0.00 N ATOM 146 CA CYS A 49 -1.466 2.599 -5.736 1.00 0.00 C ATOM 147 C CYS A 49 -0.948 1.158 -5.934 1.00 0.00 C ATOM 148 O CYS A 49 -0.950 0.643 -7.034 1.00 0.00 O ATOM 149 CB CYS A 49 -2.973 2.640 -6.028 1.00 0.00 C ATOM 150 SG CYS A 49 -4.038 1.601 -5.031 1.00 0.00 S ATOM 0 H CYS A 49 -0.688 3.184 -7.636 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.239 2.891 -4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.309 3.671 -5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.120 2.368 -7.073 1.00 0.00 H new ATOM 155 N ASP A 50 -0.508 0.534 -4.845 1.00 0.00 N ATOM 156 CA ASP A 50 0.020 -0.881 -4.934 1.00 0.00 C ATOM 157 C ASP A 50 -0.936 -1.870 -4.259 1.00 0.00 C ATOM 158 O ASP A 50 -0.540 -2.927 -3.813 1.00 0.00 O ATOM 159 CB ASP A 50 1.372 -0.931 -4.205 1.00 0.00 C ATOM 160 CG ASP A 50 2.251 0.222 -4.693 1.00 0.00 C ATOM 161 OD1 ASP A 50 2.937 0.001 -5.677 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.185 1.260 -4.054 1.00 0.00 O ATOM 0 H ASP A 50 -0.493 0.942 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 50 0.120 -1.158 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.221 -0.858 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.865 -1.885 -4.393 1.00 0.00 H new ATOM 167 N LYS A 51 -2.172 -1.489 -4.204 1.00 0.00 N ATOM 168 CA LYS A 51 -3.219 -2.351 -3.574 1.00 0.00 C ATOM 169 C LYS A 51 -3.209 -3.787 -4.052 1.00 0.00 C ATOM 170 O LYS A 51 -2.290 -4.248 -4.698 1.00 0.00 O ATOM 171 CB LYS A 51 -4.592 -1.749 -3.938 1.00 0.00 C ATOM 172 CG LYS A 51 -4.969 -2.060 -5.393 1.00 0.00 C ATOM 173 CD LYS A 51 -3.787 -1.721 -6.318 1.00 0.00 C ATOM 174 CE LYS A 51 -4.227 -1.771 -7.802 1.00 0.00 C ATOM 175 NZ LYS A 51 -3.484 -2.843 -8.520 1.00 0.00 N ATOM 0 H LYS A 51 -2.516 -0.602 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.017 -2.371 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.355 -2.147 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.569 -0.670 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.232 -3.113 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.847 -1.483 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.404 -0.729 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.973 -2.426 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.299 -1.956 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.041 -0.808 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.786 -2.868 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.463 -2.649 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.683 -3.761 -8.074 1.00 0.00 H new ATOM 189 N ALA A 52 -4.285 -4.432 -3.705 1.00 0.00 N ATOM 190 CA ALA A 52 -4.526 -5.869 -4.055 1.00 0.00 C ATOM 191 C ALA A 52 -5.366 -6.493 -2.952 1.00 0.00 C ATOM 192 O ALA A 52 -4.902 -6.648 -1.839 1.00 0.00 O ATOM 193 CB ALA A 52 -3.188 -6.616 -4.165 1.00 0.00 C ATOM 0 H ALA A 52 -5.043 -4.007 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.043 -5.936 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.374 -7.659 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.577 -6.156 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.662 -6.563 -3.212 1.00 0.00 H new ATOM 199 N PHE A 53 -6.591 -6.855 -3.273 1.00 0.00 N ATOM 200 CA PHE A 53 -7.471 -7.469 -2.226 1.00 0.00 C ATOM 201 C PHE A 53 -8.333 -8.596 -2.760 1.00 0.00 C ATOM 202 O PHE A 53 -8.371 -8.868 -3.943 1.00 0.00 O ATOM 203 CB PHE A 53 -8.425 -6.368 -1.744 1.00 0.00 C ATOM 204 CG PHE A 53 -7.619 -5.116 -1.340 1.00 0.00 C ATOM 205 CD1 PHE A 53 -6.559 -5.195 -0.443 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.918 -3.887 -1.913 1.00 0.00 C ATOM 207 CE1 PHE A 53 -5.819 -4.068 -0.139 1.00 0.00 C ATOM 208 CE2 PHE A 53 -7.177 -2.772 -1.604 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.130 -2.859 -0.722 1.00 0.00 C ATOM 0 H PHE A 53 -7.011 -6.754 -4.197 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.830 -7.876 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.133 -6.116 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.008 -6.726 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.313 -6.140 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.741 -3.807 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.996 -4.135 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.420 -1.823 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.549 -1.980 -0.485 1.00 0.00 H new ATOM 219 N VAL A 54 -9.018 -9.226 -1.839 1.00 0.00 N ATOM 220 CA VAL A 54 -9.923 -10.357 -2.182 1.00 0.00 C ATOM 221 C VAL A 54 -11.304 -10.064 -1.603 1.00 0.00 C ATOM 222 O VAL A 54 -12.316 -10.430 -2.167 1.00 0.00 O ATOM 223 CB VAL A 54 -9.366 -11.645 -1.538 1.00 0.00 C ATOM 224 CG1 VAL A 54 -8.259 -12.213 -2.429 1.00 0.00 C ATOM 225 CG2 VAL A 54 -8.784 -11.310 -0.165 1.00 0.00 C ATOM 0 H VAL A 54 -8.985 -8.997 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.990 -10.481 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.165 -12.378 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.861 -13.123 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.666 -12.443 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.460 -11.479 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.389 -12.216 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.981 -10.581 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.566 -10.893 0.470 1.00 0.00 H new ATOM 235 N ARG A 55 -11.305 -9.400 -0.467 1.00 0.00 N ATOM 236 CA ARG A 55 -12.587 -9.050 0.200 1.00 0.00 C ATOM 237 C ARG A 55 -13.088 -7.703 -0.316 1.00 0.00 C ATOM 238 O ARG A 55 -12.386 -7.015 -1.030 1.00 0.00 O ATOM 239 CB ARG A 55 -12.325 -8.935 1.716 1.00 0.00 C ATOM 240 CG ARG A 55 -12.086 -10.344 2.313 1.00 0.00 C ATOM 241 CD ARG A 55 -13.429 -10.980 2.701 1.00 0.00 C ATOM 242 NE ARG A 55 -13.861 -10.425 4.015 1.00 0.00 N ATOM 243 CZ ARG A 55 -14.804 -11.025 4.686 1.00 0.00 C ATOM 244 NH1 ARG A 55 -14.840 -12.330 4.695 1.00 0.00 N ATOM 245 NH2 ARG A 55 -15.679 -10.300 5.328 1.00 0.00 N ATOM 0 H ARG A 55 -10.466 -9.088 0.022 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.334 -9.816 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.457 -8.301 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.175 -8.461 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.571 -10.974 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.440 -10.273 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.179 -10.772 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.330 -12.064 2.763 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.422 -9.582 4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.138 -12.863 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.571 -12.816 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.618 -9.282 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.424 -10.751 5.859 1.00 0.00 H new ATOM 259 N ASN A 56 -14.287 -7.341 0.063 1.00 0.00 N ATOM 260 CA ASN A 56 -14.846 -6.033 -0.406 1.00 0.00 C ATOM 261 C ASN A 56 -14.508 -4.891 0.545 1.00 0.00 C ATOM 262 O ASN A 56 -13.971 -3.883 0.132 1.00 0.00 O ATOM 263 CB ASN A 56 -16.373 -6.167 -0.480 1.00 0.00 C ATOM 264 CG ASN A 56 -16.949 -4.965 -1.230 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.282 -3.972 -1.441 1.00 0.00 O ATOM 266 ND2 ASN A 56 -18.184 -5.012 -1.649 1.00 0.00 N ATOM 0 H ASN A 56 -14.899 -7.886 0.670 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.409 -5.802 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.644 -7.092 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.794 -6.220 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.583 -4.218 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.750 -5.843 -1.476 1.00 0.00 H new ATOM 273 N HIS A 57 -14.827 -5.064 1.799 1.00 0.00 N ATOM 274 CA HIS A 57 -14.528 -3.986 2.783 1.00 0.00 C ATOM 275 C HIS A 57 -13.137 -3.395 2.562 1.00 0.00 C ATOM 276 O HIS A 57 -12.927 -2.217 2.765 1.00 0.00 O ATOM 277 CB HIS A 57 -14.631 -4.581 4.211 1.00 0.00 C ATOM 278 CG HIS A 57 -13.359 -5.367 4.553 1.00 0.00 C ATOM 279 ND1 HIS A 57 -12.079 -4.905 4.774 1.00 0.00 N flip ATOM 280 CD2 HIS A 57 -13.295 -6.607 4.693 1.00 0.00 C flip ATOM 281 CE1 HIS A 57 -11.264 -5.960 5.053 1.00 0.00 C flip ATOM 282 NE2 HIS A 57 -12.118 -6.982 4.977 1.00 0.00 N flip ATOM 0 H HIS A 57 -15.277 -5.896 2.181 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.249 -3.179 2.653 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.778 -3.781 4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.500 -5.235 4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -14.137 -7.275 4.586 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.207 -5.967 5.276 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.854 -7.955 5.130 1.00 0.00 H new ATOM 290 N ASP A 58 -12.212 -4.216 2.156 1.00 0.00 N ATOM 291 CA ASP A 58 -10.851 -3.693 1.927 1.00 0.00 C ATOM 292 C ASP A 58 -10.909 -2.519 0.959 1.00 0.00 C ATOM 293 O ASP A 58 -10.483 -1.428 1.276 1.00 0.00 O ATOM 294 CB ASP A 58 -9.989 -4.812 1.322 1.00 0.00 C ATOM 295 CG ASP A 58 -8.514 -4.458 1.503 1.00 0.00 C ATOM 296 OD1 ASP A 58 -8.146 -3.404 1.013 1.00 0.00 O ATOM 297 OD2 ASP A 58 -7.837 -5.263 2.121 1.00 0.00 O ATOM 0 H ASP A 58 -12.341 -5.212 1.976 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.420 -3.357 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.210 -5.762 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.220 -4.934 0.264 1.00 0.00 H new ATOM 302 N LEU A 59 -11.445 -2.767 -0.206 1.00 0.00 N ATOM 303 CA LEU A 59 -11.549 -1.682 -1.216 1.00 0.00 C ATOM 304 C LEU A 59 -12.190 -0.443 -0.585 1.00 0.00 C ATOM 305 O LEU A 59 -11.859 0.674 -0.923 1.00 0.00 O ATOM 306 CB LEU A 59 -12.447 -2.217 -2.372 1.00 0.00 C ATOM 307 CG LEU A 59 -12.064 -1.572 -3.726 1.00 0.00 C ATOM 308 CD1 LEU A 59 -12.040 -0.040 -3.583 1.00 0.00 C ATOM 309 CD2 LEU A 59 -10.679 -2.084 -4.207 1.00 0.00 C ATOM 0 H LEU A 59 -11.813 -3.672 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.564 -1.401 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.347 -3.300 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.493 -2.007 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.810 -1.854 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.770 0.410 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.026 0.313 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.307 0.244 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.430 -1.618 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.920 -1.828 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.714 -3.166 -4.331 1.00 0.00 H new ATOM 321 N ILE A 60 -13.090 -0.664 0.335 1.00 0.00 N ATOM 322 CA ILE A 60 -13.748 0.489 0.985 1.00 0.00 C ATOM 323 C ILE A 60 -12.778 1.209 1.903 1.00 0.00 C ATOM 324 O ILE A 60 -12.551 2.394 1.771 1.00 0.00 O ATOM 325 CB ILE A 60 -14.927 -0.011 1.817 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.768 -0.984 0.997 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.804 1.195 2.195 1.00 0.00 C ATOM 328 CD1 ILE A 60 -16.994 -1.437 1.824 1.00 0.00 C ATOM 0 H ILE A 60 -13.391 -1.584 0.657 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.088 1.178 0.212 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.555 -0.516 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.096 -0.507 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.168 -1.849 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.652 0.856 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.215 1.906 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.167 1.679 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.593 -2.132 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.656 -1.931 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.598 -0.568 2.085 1.00 0.00 H new ATOM 340 N ARG A 61 -12.222 0.476 2.818 1.00 0.00 N ATOM 341 CA ARG A 61 -11.263 1.090 3.758 1.00 0.00 C ATOM 342 C ARG A 61 -9.983 1.492 3.029 1.00 0.00 C ATOM 343 O ARG A 61 -9.180 2.242 3.545 1.00 0.00 O ATOM 344 CB ARG A 61 -10.925 0.050 4.847 1.00 0.00 C ATOM 345 CG ARG A 61 -10.392 0.770 6.091 1.00 0.00 C ATOM 346 CD ARG A 61 -9.935 -0.271 7.124 1.00 0.00 C ATOM 347 NE ARG A 61 -9.885 0.371 8.468 1.00 0.00 N ATOM 348 CZ ARG A 61 -10.997 0.579 9.119 1.00 0.00 C ATOM 349 NH1 ARG A 61 -11.503 -0.390 9.832 1.00 0.00 N ATOM 350 NH2 ARG A 61 -11.565 1.752 9.037 1.00 0.00 N ATOM 0 H ARG A 61 -12.392 -0.521 2.954 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.704 1.984 4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.813 -0.529 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.181 -0.654 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.560 1.420 5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.168 1.406 6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.622 -1.117 7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.953 -0.662 6.856 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.991 0.645 8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.030 -1.293 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.371 -0.245 10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.139 2.486 8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.434 1.934 9.538 1.00 0.00 H new ATOM 364 N HIS A 62 -9.818 0.980 1.827 1.00 0.00 N ATOM 365 CA HIS A 62 -8.599 1.317 1.040 1.00 0.00 C ATOM 366 C HIS A 62 -8.839 2.562 0.165 1.00 0.00 C ATOM 367 O HIS A 62 -8.005 3.442 0.097 1.00 0.00 O ATOM 368 CB HIS A 62 -8.257 0.101 0.141 1.00 0.00 C ATOM 369 CG HIS A 62 -7.320 0.531 -0.989 1.00 0.00 C ATOM 370 ND1 HIS A 62 -6.081 0.352 -1.008 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.608 1.243 -2.129 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.558 0.885 -2.033 1.00 0.00 C ATOM 373 NE2 HIS A 62 -6.455 1.484 -2.795 1.00 0.00 N ATOM 0 H HIS A 62 -10.474 0.349 1.366 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.775 1.538 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.786 -0.681 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -9.171 -0.322 -0.275 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.560 -0.156 -0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.593 1.558 -2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.502 0.853 -2.257 1.00 0.00 H new ATOM 381 N LYS A 63 -9.973 2.607 -0.483 1.00 0.00 N ATOM 382 CA LYS A 63 -10.275 3.778 -1.346 1.00 0.00 C ATOM 383 C LYS A 63 -10.344 5.064 -0.521 1.00 0.00 C ATOM 384 O LYS A 63 -10.108 6.142 -1.029 1.00 0.00 O ATOM 385 CB LYS A 63 -11.645 3.533 -2.017 1.00 0.00 C ATOM 386 CG LYS A 63 -12.099 4.811 -2.735 1.00 0.00 C ATOM 387 CD LYS A 63 -13.242 4.476 -3.694 1.00 0.00 C ATOM 388 CE LYS A 63 -13.884 5.788 -4.188 1.00 0.00 C ATOM 389 NZ LYS A 63 -12.880 6.893 -4.196 1.00 0.00 N ATOM 0 H LYS A 63 -10.696 1.888 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.486 3.893 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.572 2.710 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.382 3.242 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.426 5.554 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.265 5.249 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.867 3.899 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.986 3.859 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.286 5.647 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.722 6.055 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.251 7.695 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.692 7.198 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.997 6.556 -4.629 1.00 0.00 H new ATOM 403 N LYS A 64 -10.665 4.928 0.733 1.00 0.00 N ATOM 404 CA LYS A 64 -10.753 6.130 1.599 1.00 0.00 C ATOM 405 C LYS A 64 -9.436 6.908 1.605 1.00 0.00 C ATOM 406 O LYS A 64 -9.414 8.088 1.893 1.00 0.00 O ATOM 407 CB LYS A 64 -11.060 5.661 3.039 1.00 0.00 C ATOM 408 CG LYS A 64 -11.539 6.862 3.894 1.00 0.00 C ATOM 409 CD LYS A 64 -13.070 7.046 3.742 1.00 0.00 C ATOM 410 CE LYS A 64 -13.827 5.858 4.393 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.097 6.334 5.013 1.00 0.00 N ATOM 0 H LYS A 64 -10.869 4.041 1.193 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.535 6.786 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.827 4.886 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.169 5.219 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.287 6.696 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.023 7.770 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.378 7.981 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.331 7.116 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.043 5.099 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.199 5.388 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.595 5.530 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.882 7.042 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.701 6.763 4.283 1.00 0.00 H new ATOM 425 N SER A 65 -8.363 6.236 1.282 1.00 0.00 N ATOM 426 CA SER A 65 -7.044 6.926 1.268 1.00 0.00 C ATOM 427 C SER A 65 -6.863 7.759 0.002 1.00 0.00 C ATOM 428 O SER A 65 -5.933 8.536 -0.100 1.00 0.00 O ATOM 429 CB SER A 65 -5.941 5.859 1.309 1.00 0.00 C ATOM 430 OG SER A 65 -6.031 5.219 0.045 1.00 0.00 O ATOM 0 H SER A 65 -8.344 5.248 1.030 1.00 0.00 H new ATOM 0 HA SER A 65 -6.991 7.591 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.959 6.307 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.099 5.154 2.125 1.00 0.00 H new ATOM 0 HG SER A 65 -6.580 4.412 0.126 1.00 0.00 H new ATOM 436 N HIS A 66 -7.751 7.584 -0.945 1.00 0.00 N ATOM 437 CA HIS A 66 -7.638 8.364 -2.217 1.00 0.00 C ATOM 438 C HIS A 66 -8.519 9.604 -2.185 1.00 0.00 C ATOM 439 O HIS A 66 -8.184 10.606 -2.782 1.00 0.00 O ATOM 440 CB HIS A 66 -8.107 7.473 -3.373 1.00 0.00 C ATOM 441 CG HIS A 66 -7.084 6.362 -3.607 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.843 6.508 -3.590 1.00 0.00 N ATOM 443 CD2 HIS A 66 -7.289 5.032 -3.889 1.00 0.00 C ATOM 444 CE1 HIS A 66 -5.247 5.411 -3.832 1.00 0.00 C ATOM 445 NE2 HIS A 66 -6.094 4.412 -4.035 1.00 0.00 N ATOM 0 H HIS A 66 -8.542 6.942 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.601 8.674 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.081 7.042 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.228 8.067 -4.279 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.369 7.392 -3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.254 4.555 -3.980 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.173 5.305 -3.868 1.00 0.00 H new ATOM 453 N GLN A 67 -9.635 9.509 -1.477 1.00 0.00 N ATOM 454 CA GLN A 67 -10.585 10.677 -1.375 1.00 0.00 C ATOM 455 C GLN A 67 -10.553 11.540 -2.639 1.00 0.00 C ATOM 456 O GLN A 67 -10.199 12.702 -2.596 1.00 0.00 O ATOM 457 CB GLN A 67 -10.199 11.543 -0.152 1.00 0.00 C ATOM 458 CG GLN A 67 -8.685 11.775 -0.128 1.00 0.00 C ATOM 459 CD GLN A 67 -8.349 12.771 0.984 1.00 0.00 C ATOM 460 OE1 GLN A 67 -8.415 13.970 0.797 1.00 0.00 O ATOM 461 NE2 GLN A 67 -7.984 12.320 2.151 1.00 0.00 N ATOM 0 H GLN A 67 -9.926 8.674 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.595 10.285 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.721 12.499 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.514 11.049 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.163 10.833 0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.348 12.159 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.927 11.315 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.756 12.972 2.901 1.00 0.00 H new ATOM 470 N GLU A 68 -10.925 10.944 -3.741 1.00 0.00 N ATOM 471 CA GLU A 68 -10.927 11.695 -5.022 1.00 0.00 C ATOM 472 C GLU A 68 -12.077 12.702 -5.069 1.00 0.00 C ATOM 473 O GLU A 68 -12.644 12.954 -6.113 1.00 0.00 O ATOM 474 CB GLU A 68 -11.093 10.672 -6.175 1.00 0.00 C ATOM 475 CG GLU A 68 -9.730 10.008 -6.477 1.00 0.00 C ATOM 476 CD GLU A 68 -8.925 10.890 -7.443 1.00 0.00 C ATOM 477 OE1 GLU A 68 -8.783 12.059 -7.121 1.00 0.00 O ATOM 478 OE2 GLU A 68 -8.499 10.343 -8.447 1.00 0.00 O ATOM 0 H GLU A 68 -11.226 9.972 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.992 12.248 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.826 9.913 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.471 11.172 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.172 9.863 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.884 9.021 -6.914 1.00 0.00 H new ATOM 485 N LYS A 69 -12.398 13.262 -3.937 1.00 0.00 N ATOM 486 CA LYS A 69 -13.503 14.250 -3.906 1.00 0.00 C ATOM 487 C LYS A 69 -14.755 13.689 -4.571 1.00 0.00 C ATOM 488 O LYS A 69 -15.139 14.120 -5.640 1.00 0.00 O ATOM 489 CB LYS A 69 -13.048 15.500 -4.682 1.00 0.00 C ATOM 490 CG LYS A 69 -14.036 16.641 -4.428 1.00 0.00 C ATOM 491 CD LYS A 69 -13.700 17.809 -5.363 1.00 0.00 C ATOM 492 CE LYS A 69 -14.437 19.063 -4.889 1.00 0.00 C ATOM 493 NZ LYS A 69 -13.837 19.572 -3.622 1.00 0.00 N ATOM 0 H LYS A 69 -11.946 13.079 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.740 14.490 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.047 15.794 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.995 15.281 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.057 16.301 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.980 16.963 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.625 17.986 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.990 17.567 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.387 19.834 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.492 18.836 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.069 20.579 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.219 19.035 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.804 19.457 -3.656 1.00 0.00 H new ATOM 507 N ALA A 70 -15.367 12.732 -3.928 1.00 0.00 N ATOM 508 CA ALA A 70 -16.595 12.134 -4.510 1.00 0.00 C ATOM 509 C ALA A 70 -16.362 11.719 -5.958 1.00 0.00 C ATOM 510 O ALA A 70 -15.215 11.444 -6.267 1.00 0.00 O ATOM 511 CB ALA A 70 -17.711 13.189 -4.471 1.00 0.00 C ATOM 512 OXT ALA A 70 -17.347 11.699 -6.679 1.00 0.00 O ATOM 0 H ALA A 70 -15.071 12.343 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.869 11.250 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -18.623 12.769 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -17.894 13.487 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.409 14.060 -5.052 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -6.079 2.475 -4.459 1.00 0.00 ZN