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 Set 1.1: A 42 TYR OH : rot 165:sc= -2.37! USER MOD Set 1.2: A 56 ASN : amide:sc= -7.9! C(o=-10!,f=-13!) USER MOD Single : A 43 SER OG : rot -169:sc= -3.56! USER MOD Single : A 46 HIS :FLIP no HD1:sc= -6.42! C(o=-7!,f=-6.4!) USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -0.176 (180deg=-0.93) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -10.9! C(o=-12!,f=-11!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0725 X(o=-0.072,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -10.904 -14.633 -7.812 1.00 0.00 N ATOM 2 CA ASP A 39 -10.480 -13.943 -9.053 1.00 0.00 C ATOM 3 C ASP A 39 -10.208 -12.471 -8.767 1.00 0.00 C ATOM 4 O ASP A 39 -10.549 -11.611 -9.555 1.00 0.00 O ATOM 5 CB ASP A 39 -11.593 -14.040 -10.111 1.00 0.00 C ATOM 6 CG ASP A 39 -12.113 -15.478 -10.166 1.00 0.00 C ATOM 7 OD1 ASP A 39 -11.288 -16.343 -10.410 1.00 0.00 O ATOM 8 OD2 ASP A 39 -13.306 -15.629 -9.963 1.00 0.00 O ATOM 0 HA ASP A 39 -9.572 -14.421 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.405 -13.356 -9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.210 -13.742 -11.087 1.00 0.00 H new ATOM 15 N ARG A 40 -9.598 -12.210 -7.642 1.00 0.00 N ATOM 16 CA ARG A 40 -9.294 -10.800 -7.285 1.00 0.00 C ATOM 17 C ARG A 40 -10.495 -9.867 -7.595 1.00 0.00 C ATOM 18 O ARG A 40 -10.385 -8.956 -8.392 1.00 0.00 O ATOM 19 CB ARG A 40 -8.071 -10.367 -8.133 1.00 0.00 C ATOM 20 CG ARG A 40 -7.291 -9.275 -7.400 1.00 0.00 C ATOM 21 CD ARG A 40 -6.196 -8.743 -8.330 1.00 0.00 C ATOM 22 NE ARG A 40 -5.471 -7.636 -7.648 1.00 0.00 N ATOM 23 CZ ARG A 40 -4.385 -7.154 -8.190 1.00 0.00 C ATOM 24 NH1 ARG A 40 -3.886 -7.746 -9.240 1.00 0.00 N ATOM 25 NH2 ARG A 40 -3.836 -6.097 -7.661 1.00 0.00 N ATOM 0 H ARG A 40 -9.300 -12.909 -6.961 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.089 -10.726 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.425 -11.225 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.402 -10.000 -9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.960 -8.467 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.850 -9.674 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.502 -9.543 -8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.635 -8.387 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.819 -7.258 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.344 -8.572 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.038 -7.383 -9.676 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.255 -5.662 -6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.987 -5.705 -8.069 1.00 0.00 H new ATOM 39 N PRO A 41 -11.632 -10.124 -6.941 1.00 0.00 N ATOM 40 CA PRO A 41 -12.838 -9.311 -7.149 1.00 0.00 C ATOM 41 C PRO A 41 -12.631 -7.851 -6.718 1.00 0.00 C ATOM 42 O PRO A 41 -13.476 -7.010 -6.955 1.00 0.00 O ATOM 43 CB PRO A 41 -13.927 -9.974 -6.245 1.00 0.00 C ATOM 44 CG PRO A 41 -13.245 -11.162 -5.484 1.00 0.00 C ATOM 45 CD PRO A 41 -11.777 -11.235 -5.973 1.00 0.00 C ATOM 0 HA PRO A 41 -13.111 -9.282 -8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.333 -9.249 -5.540 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.760 -10.333 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.284 -11.002 -4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.765 -12.098 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.080 -11.126 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.566 -12.196 -6.443 1.00 0.00 H new ATOM 53 N TYR A 42 -11.513 -7.579 -6.097 1.00 0.00 N ATOM 54 CA TYR A 42 -11.235 -6.188 -5.645 1.00 0.00 C ATOM 55 C TYR A 42 -9.779 -5.835 -5.839 1.00 0.00 C ATOM 56 O TYR A 42 -8.939 -6.153 -5.028 1.00 0.00 O ATOM 57 CB TYR A 42 -11.574 -6.086 -4.150 1.00 0.00 C ATOM 58 CG TYR A 42 -13.091 -6.126 -3.989 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.847 -4.992 -4.210 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.730 -7.298 -3.642 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.219 -5.030 -4.089 1.00 0.00 C ATOM 62 CE2 TYR A 42 -15.103 -7.337 -3.522 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.859 -6.203 -3.744 1.00 0.00 C ATOM 64 OH TYR A 42 -17.234 -6.244 -3.630 1.00 0.00 O ATOM 0 H TYR A 42 -10.783 -8.260 -5.885 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.840 -5.498 -6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.114 -6.908 -3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.174 -5.161 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.359 -4.067 -4.480 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.151 -8.192 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.798 -4.135 -4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.591 -8.262 -3.252 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.534 -7.177 -3.619 1.00 0.00 H new ATOM 74 N SER A 43 -9.512 -5.201 -6.940 1.00 0.00 N ATOM 75 CA SER A 43 -8.109 -4.785 -7.261 1.00 0.00 C ATOM 76 C SER A 43 -8.047 -3.286 -7.532 1.00 0.00 C ATOM 77 O SER A 43 -8.077 -2.858 -8.669 1.00 0.00 O ATOM 78 CB SER A 43 -7.668 -5.526 -8.529 1.00 0.00 C ATOM 79 OG SER A 43 -6.259 -5.353 -8.558 1.00 0.00 O ATOM 0 H SER A 43 -10.206 -4.947 -7.643 1.00 0.00 H new ATOM 0 HA SER A 43 -7.460 -5.022 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.939 -6.581 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.139 -5.109 -9.419 1.00 0.00 H new ATOM 0 HG SER A 43 -5.911 -5.646 -9.426 1.00 0.00 H new ATOM 85 N CYS A 44 -7.963 -2.505 -6.484 1.00 0.00 N ATOM 86 CA CYS A 44 -7.900 -1.038 -6.677 1.00 0.00 C ATOM 87 C CYS A 44 -6.931 -0.665 -7.793 1.00 0.00 C ATOM 88 O CYS A 44 -6.064 -1.436 -8.155 1.00 0.00 O ATOM 89 CB CYS A 44 -7.412 -0.399 -5.374 1.00 0.00 C ATOM 90 SG CYS A 44 -7.126 1.383 -5.391 1.00 0.00 S ATOM 0 H CYS A 44 -7.936 -2.823 -5.515 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.893 -0.680 -6.948 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.143 -0.617 -4.595 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.482 -0.888 -5.084 1.00 0.00 H new ATOM 95 N ASP A 45 -7.103 0.517 -8.312 1.00 0.00 N ATOM 96 CA ASP A 45 -6.214 0.987 -9.409 1.00 0.00 C ATOM 97 C ASP A 45 -6.119 2.505 -9.387 1.00 0.00 C ATOM 98 O ASP A 45 -6.201 3.152 -10.411 1.00 0.00 O ATOM 99 CB ASP A 45 -6.824 0.547 -10.749 1.00 0.00 C ATOM 100 CG ASP A 45 -8.282 1.011 -10.821 1.00 0.00 C ATOM 101 OD1 ASP A 45 -8.545 2.063 -10.262 1.00 0.00 O ATOM 102 OD2 ASP A 45 -9.050 0.285 -11.430 1.00 0.00 O ATOM 0 H ASP A 45 -7.823 1.180 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.218 0.564 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.255 0.970 -11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.771 -0.537 -10.847 1.00 0.00 H new ATOM 107 N HIS A 46 -5.947 3.045 -8.210 1.00 0.00 N ATOM 108 CA HIS A 46 -5.844 4.513 -8.086 1.00 0.00 C ATOM 109 C HIS A 46 -4.439 4.987 -8.546 1.00 0.00 C ATOM 110 O HIS A 46 -3.455 4.348 -8.228 1.00 0.00 O ATOM 111 CB HIS A 46 -6.030 4.849 -6.591 1.00 0.00 C ATOM 112 CG HIS A 46 -5.749 6.329 -6.338 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.605 6.936 -5.864 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.568 7.253 -6.514 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -4.815 8.279 -5.779 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -6.072 8.379 -6.208 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.874 2.527 -7.334 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.594 5.007 -8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.047 4.607 -6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.359 4.237 -5.988 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.574 7.112 -6.881 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.141 9.057 -5.451 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.578 9.261 -6.282 1.00 0.00 H new ATOM 124 N PRO A 47 -4.354 6.103 -9.293 1.00 0.00 N ATOM 125 CA PRO A 47 -3.054 6.585 -9.749 1.00 0.00 C ATOM 126 C PRO A 47 -2.068 6.690 -8.584 1.00 0.00 C ATOM 127 O PRO A 47 -2.278 7.440 -7.651 1.00 0.00 O ATOM 128 CB PRO A 47 -3.337 7.993 -10.370 1.00 0.00 C ATOM 129 CG PRO A 47 -4.891 8.195 -10.361 1.00 0.00 C ATOM 130 CD PRO A 47 -5.510 6.935 -9.698 1.00 0.00 C ATOM 0 HA PRO A 47 -2.599 5.905 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.843 8.775 -9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.947 8.052 -11.386 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.160 9.094 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.269 8.322 -11.375 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.123 7.203 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.156 6.400 -10.395 1.00 0.00 H new ATOM 138 N GLY A 48 -1.008 5.926 -8.663 1.00 0.00 N ATOM 139 CA GLY A 48 0.014 5.957 -7.573 1.00 0.00 C ATOM 140 C GLY A 48 -0.310 4.911 -6.502 1.00 0.00 C ATOM 141 O GLY A 48 -0.076 5.132 -5.329 1.00 0.00 O ATOM 0 H GLY A 48 -0.807 5.285 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.003 5.766 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.044 6.949 -7.123 1.00 0.00 H new ATOM 145 N CYS A 49 -0.847 3.785 -6.931 1.00 0.00 N ATOM 146 CA CYS A 49 -1.199 2.701 -5.953 1.00 0.00 C ATOM 147 C CYS A 49 -0.715 1.348 -6.446 1.00 0.00 C ATOM 148 O CYS A 49 -0.414 1.173 -7.609 1.00 0.00 O ATOM 149 CB CYS A 49 -2.728 2.640 -5.814 1.00 0.00 C ATOM 150 SG CYS A 49 -3.405 1.355 -4.726 1.00 0.00 S ATOM 0 H CYS A 49 -1.054 3.573 -7.907 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.722 2.926 -4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.074 3.608 -5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.153 2.501 -6.808 1.00 0.00 H new ATOM 155 N ASP A 50 -0.649 0.417 -5.540 1.00 0.00 N ATOM 156 CA ASP A 50 -0.189 -0.945 -5.911 1.00 0.00 C ATOM 157 C ASP A 50 -0.645 -1.954 -4.863 1.00 0.00 C ATOM 158 O ASP A 50 -0.102 -3.036 -4.756 1.00 0.00 O ATOM 159 CB ASP A 50 1.348 -0.942 -5.971 1.00 0.00 C ATOM 160 CG ASP A 50 1.828 -2.194 -6.710 1.00 0.00 C ATOM 161 OD1 ASP A 50 1.410 -2.347 -7.845 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.588 -2.926 -6.097 1.00 0.00 O ATOM 0 H ASP A 50 -0.894 0.541 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.609 -1.222 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.702 -0.046 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.763 -0.919 -4.963 1.00 0.00 H new ATOM 167 N LYS A 51 -1.645 -1.571 -4.104 1.00 0.00 N ATOM 168 CA LYS A 51 -2.174 -2.476 -3.041 1.00 0.00 C ATOM 169 C LYS A 51 -3.380 -3.274 -3.572 1.00 0.00 C ATOM 170 O LYS A 51 -4.414 -2.713 -3.877 1.00 0.00 O ATOM 171 CB LYS A 51 -2.616 -1.571 -1.837 1.00 0.00 C ATOM 172 CG LYS A 51 -2.046 -2.121 -0.519 1.00 0.00 C ATOM 173 CD LYS A 51 -2.749 -3.431 -0.179 1.00 0.00 C ATOM 174 CE LYS A 51 -1.972 -4.144 0.930 1.00 0.00 C ATOM 175 NZ LYS A 51 -0.602 -4.495 0.462 1.00 0.00 N ATOM 0 H LYS A 51 -2.116 -0.669 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.411 -3.190 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.268 -0.550 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.704 -1.532 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.972 -2.284 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.190 -1.398 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.772 -3.236 0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.810 -4.066 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.910 -3.503 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.503 -5.047 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.424 -5.505 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.522 -4.299 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.098 -3.926 0.980 1.00 0.00 H new ATOM 189 N ALA A 52 -3.214 -4.570 -3.670 1.00 0.00 N ATOM 190 CA ALA A 52 -4.329 -5.429 -4.177 1.00 0.00 C ATOM 191 C ALA A 52 -5.213 -5.925 -3.037 1.00 0.00 C ATOM 192 O ALA A 52 -4.839 -5.867 -1.883 1.00 0.00 O ATOM 193 CB ALA A 52 -3.706 -6.647 -4.885 1.00 0.00 C ATOM 0 H ALA A 52 -2.359 -5.068 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.947 -4.842 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.499 -7.292 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.085 -6.308 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.093 -7.205 -4.177 1.00 0.00 H new ATOM 199 N PHE A 53 -6.380 -6.407 -3.393 1.00 0.00 N ATOM 200 CA PHE A 53 -7.327 -6.923 -2.353 1.00 0.00 C ATOM 201 C PHE A 53 -8.109 -8.120 -2.880 1.00 0.00 C ATOM 202 O PHE A 53 -7.889 -8.573 -3.986 1.00 0.00 O ATOM 203 CB PHE A 53 -8.319 -5.801 -1.999 1.00 0.00 C ATOM 204 CG PHE A 53 -7.618 -4.780 -1.113 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.534 -4.971 0.255 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.045 -3.653 -1.669 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.886 -4.048 1.049 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.400 -2.734 -0.877 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.320 -2.930 0.481 1.00 0.00 C ATOM 0 H PHE A 53 -6.717 -6.465 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.758 -7.235 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.686 -5.323 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.186 -6.214 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.978 -5.847 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.104 -3.493 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.823 -4.203 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.955 -1.856 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.813 -2.207 1.102 1.00 0.00 H new ATOM 219 N VAL A 54 -9.017 -8.611 -2.072 1.00 0.00 N ATOM 220 CA VAL A 54 -9.837 -9.785 -2.496 1.00 0.00 C ATOM 221 C VAL A 54 -11.235 -9.712 -1.888 1.00 0.00 C ATOM 222 O VAL A 54 -12.202 -10.121 -2.499 1.00 0.00 O ATOM 223 CB VAL A 54 -9.147 -11.064 -1.981 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.871 -12.294 -2.541 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.692 -11.082 -2.454 1.00 0.00 C ATOM 0 H VAL A 54 -9.224 -8.250 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.923 -9.790 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.181 -11.081 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.384 -13.199 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.911 -12.285 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.833 -12.274 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.202 -11.986 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.663 -11.067 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.172 -10.206 -2.065 1.00 0.00 H new ATOM 235 N ARG A 55 -11.317 -9.190 -0.686 1.00 0.00 N ATOM 236 CA ARG A 55 -12.647 -9.077 -0.007 1.00 0.00 C ATOM 237 C ARG A 55 -13.226 -7.683 -0.145 1.00 0.00 C ATOM 238 O ARG A 55 -12.515 -6.702 -0.050 1.00 0.00 O ATOM 239 CB ARG A 55 -12.442 -9.343 1.489 1.00 0.00 C ATOM 240 CG ARG A 55 -12.043 -10.804 1.694 1.00 0.00 C ATOM 241 CD ARG A 55 -12.169 -11.160 3.178 1.00 0.00 C ATOM 242 NE ARG A 55 -11.457 -12.444 3.430 1.00 0.00 N ATOM 243 CZ ARG A 55 -11.729 -13.481 2.687 1.00 0.00 C ATOM 244 NH1 ARG A 55 -12.957 -13.918 2.641 1.00 0.00 N ATOM 245 NH2 ARG A 55 -10.765 -14.041 2.010 1.00 0.00 N ATOM 0 H ARG A 55 -10.524 -8.839 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.329 -9.792 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.669 -8.684 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.358 -9.124 2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.682 -11.455 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.019 -10.964 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.744 -10.367 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.219 -11.251 3.456 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.764 -12.512 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.685 -13.450 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.189 -14.728 2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.818 -13.667 2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.958 -14.853 1.424 1.00 0.00 H new ATOM 259 N ASN A 56 -14.510 -7.612 -0.367 1.00 0.00 N ATOM 260 CA ASN A 56 -15.134 -6.284 -0.505 1.00 0.00 C ATOM 261 C ASN A 56 -14.946 -5.519 0.789 1.00 0.00 C ATOM 262 O ASN A 56 -14.425 -6.053 1.741 1.00 0.00 O ATOM 263 CB ASN A 56 -16.640 -6.465 -0.771 1.00 0.00 C ATOM 264 CG ASN A 56 -17.233 -5.136 -1.251 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.572 -4.344 -1.894 1.00 0.00 O ATOM 266 ND2 ASN A 56 -18.474 -4.856 -0.963 1.00 0.00 N ATOM 0 H ASN A 56 -15.140 -8.409 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.676 -5.738 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.798 -7.239 -1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.144 -6.794 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.885 -3.977 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -19.034 -5.516 -0.424 1.00 0.00 H new ATOM 273 N HIS A 57 -15.387 -4.298 0.814 1.00 0.00 N ATOM 274 CA HIS A 57 -15.235 -3.487 2.050 1.00 0.00 C ATOM 275 C HIS A 57 -13.775 -3.049 2.201 1.00 0.00 C ATOM 276 O HIS A 57 -13.494 -1.875 2.335 1.00 0.00 O ATOM 277 CB HIS A 57 -15.712 -4.338 3.291 1.00 0.00 C ATOM 278 CG HIS A 57 -14.521 -4.931 4.075 1.00 0.00 C ATOM 279 ND1 HIS A 57 -13.514 -4.289 4.770 1.00 0.00 N flip ATOM 280 CD2 HIS A 57 -14.289 -6.150 4.204 1.00 0.00 C flip ATOM 281 CE1 HIS A 57 -12.683 -5.221 5.312 1.00 0.00 C flip ATOM 282 NE2 HIS A 57 -13.251 -6.355 4.903 1.00 0.00 N flip ATOM 0 H HIS A 57 -15.845 -3.826 0.035 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.851 -2.590 1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -16.307 -3.710 3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -16.360 -5.145 2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -14.896 -6.933 3.774 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.798 -5.079 5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.891 -7.283 5.127 1.00 0.00 H new ATOM 290 N ASP A 58 -12.864 -4.001 2.178 1.00 0.00 N ATOM 291 CA ASP A 58 -11.442 -3.622 2.317 1.00 0.00 C ATOM 292 C ASP A 58 -11.110 -2.551 1.289 1.00 0.00 C ATOM 293 O ASP A 58 -10.296 -1.684 1.526 1.00 0.00 O ATOM 294 CB ASP A 58 -10.575 -4.862 2.048 1.00 0.00 C ATOM 295 CG ASP A 58 -10.611 -5.779 3.273 1.00 0.00 C ATOM 296 OD1 ASP A 58 -9.935 -5.433 4.228 1.00 0.00 O ATOM 297 OD2 ASP A 58 -11.311 -6.772 3.184 1.00 0.00 O ATOM 0 H ASP A 58 -13.051 -4.998 2.071 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.251 -3.241 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.943 -5.394 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.549 -4.563 1.833 1.00 0.00 H new ATOM 302 N LEU A 59 -11.768 -2.639 0.160 1.00 0.00 N ATOM 303 CA LEU A 59 -11.531 -1.649 -0.917 1.00 0.00 C ATOM 304 C LEU A 59 -12.138 -0.305 -0.514 1.00 0.00 C ATOM 305 O LEU A 59 -11.630 0.741 -0.864 1.00 0.00 O ATOM 306 CB LEU A 59 -12.222 -2.187 -2.212 1.00 0.00 C ATOM 307 CG LEU A 59 -11.372 -1.872 -3.465 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.193 -0.349 -3.588 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.980 -2.579 -3.370 1.00 0.00 C ATOM 0 H LEU A 59 -12.459 -3.358 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.464 -1.507 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.369 -3.264 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.209 -1.737 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.884 -2.247 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.594 -0.123 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.170 0.126 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.688 0.031 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.393 -2.348 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.452 -2.225 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.124 -3.657 -3.300 1.00 0.00 H new ATOM 321 N ILE A 60 -13.222 -0.362 0.219 1.00 0.00 N ATOM 322 CA ILE A 60 -13.866 0.896 0.651 1.00 0.00 C ATOM 323 C ILE A 60 -12.999 1.554 1.714 1.00 0.00 C ATOM 324 O ILE A 60 -12.839 2.758 1.740 1.00 0.00 O ATOM 325 CB ILE A 60 -15.260 0.569 1.243 1.00 0.00 C ATOM 326 CG1 ILE A 60 -16.245 0.250 0.118 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.795 1.804 2.009 1.00 0.00 C ATOM 328 CD1 ILE A 60 -15.700 -0.896 -0.738 1.00 0.00 C ATOM 0 H ILE A 60 -13.678 -1.220 0.530 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.980 1.573 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.164 -0.287 1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.213 -0.025 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.404 1.134 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.776 1.576 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.107 2.058 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -15.879 2.648 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -16.405 -1.120 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.742 -0.604 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.564 -1.781 -0.117 1.00 0.00 H new ATOM 340 N ARG A 61 -12.457 0.740 2.577 1.00 0.00 N ATOM 341 CA ARG A 61 -11.596 1.280 3.648 1.00 0.00 C ATOM 342 C ARG A 61 -10.233 1.650 3.078 1.00 0.00 C ATOM 343 O ARG A 61 -9.601 2.586 3.524 1.00 0.00 O ATOM 344 CB ARG A 61 -11.417 0.188 4.721 1.00 0.00 C ATOM 345 CG ARG A 61 -10.919 0.830 6.031 1.00 0.00 C ATOM 346 CD ARG A 61 -12.019 1.736 6.639 1.00 0.00 C ATOM 347 NE ARG A 61 -11.923 1.676 8.124 1.00 0.00 N ATOM 348 CZ ARG A 61 -12.255 0.576 8.744 1.00 0.00 C ATOM 349 NH1 ARG A 61 -13.492 0.162 8.672 1.00 0.00 N ATOM 350 NH2 ARG A 61 -11.343 -0.072 9.412 1.00 0.00 N ATOM 0 H ARG A 61 -12.577 -0.273 2.581 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.054 2.170 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.362 -0.327 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.704 -0.561 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.644 0.052 6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.021 1.417 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.896 2.763 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.004 1.405 6.311 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.601 2.487 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.178 0.696 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.772 -0.695 9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.387 0.282 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.585 -0.933 9.902 1.00 0.00 H new ATOM 364 N HIS A 62 -9.806 0.900 2.090 1.00 0.00 N ATOM 365 CA HIS A 62 -8.491 1.186 1.472 1.00 0.00 C ATOM 366 C HIS A 62 -8.593 2.395 0.538 1.00 0.00 C ATOM 367 O HIS A 62 -7.688 3.204 0.465 1.00 0.00 O ATOM 368 CB HIS A 62 -8.043 -0.063 0.665 1.00 0.00 C ATOM 369 CG HIS A 62 -6.950 0.325 -0.337 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.724 0.299 -0.105 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.079 0.832 -1.613 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.056 0.744 -1.087 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.838 1.120 -2.105 1.00 0.00 N ATOM 0 H HIS A 62 -10.314 0.109 1.693 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.763 1.413 2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.670 -0.830 1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.896 -0.491 0.138 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.311 -0.038 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.011 0.978 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.978 0.812 -1.100 1.00 0.00 H new ATOM 381 N LYS A 63 -9.694 2.496 -0.160 1.00 0.00 N ATOM 382 CA LYS A 63 -9.860 3.640 -1.085 1.00 0.00 C ATOM 383 C LYS A 63 -10.090 4.932 -0.312 1.00 0.00 C ATOM 384 O LYS A 63 -9.987 6.012 -0.858 1.00 0.00 O ATOM 385 CB LYS A 63 -11.080 3.366 -1.977 1.00 0.00 C ATOM 386 CG LYS A 63 -11.321 4.579 -2.889 1.00 0.00 C ATOM 387 CD LYS A 63 -12.310 4.200 -4.022 1.00 0.00 C ATOM 388 CE LYS A 63 -11.540 3.602 -5.212 1.00 0.00 C ATOM 389 NZ LYS A 63 -10.934 4.686 -6.036 1.00 0.00 N ATOM 0 H LYS A 63 -10.474 1.840 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.956 3.752 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.913 2.472 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.960 3.177 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.722 5.409 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.377 4.917 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.041 3.481 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.864 5.082 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.760 2.933 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.213 3.003 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.418 4.267 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.685 5.309 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.276 5.240 -5.451 1.00 0.00 H new ATOM 403 N LYS A 64 -10.395 4.798 0.950 1.00 0.00 N ATOM 404 CA LYS A 64 -10.633 6.009 1.774 1.00 0.00 C ATOM 405 C LYS A 64 -9.362 6.848 1.882 1.00 0.00 C ATOM 406 O LYS A 64 -9.397 7.977 2.332 1.00 0.00 O ATOM 407 CB LYS A 64 -11.056 5.554 3.192 1.00 0.00 C ATOM 408 CG LYS A 64 -11.704 6.752 3.973 1.00 0.00 C ATOM 409 CD LYS A 64 -13.238 6.605 4.001 1.00 0.00 C ATOM 410 CE LYS A 64 -13.789 6.762 2.582 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.272 6.910 2.612 1.00 0.00 N ATOM 0 H LYS A 64 -10.488 3.908 1.440 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.410 6.614 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.766 4.730 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.188 5.182 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.316 6.783 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.431 7.695 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.514 5.631 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.675 7.357 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.340 7.633 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.516 5.894 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.630 7.015 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.696 6.066 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.526 7.752 3.168 1.00 0.00 H new ATOM 425 N SER A 65 -8.256 6.277 1.467 1.00 0.00 N ATOM 426 CA SER A 65 -6.963 7.021 1.534 1.00 0.00 C ATOM 427 C SER A 65 -6.710 7.796 0.246 1.00 0.00 C ATOM 428 O SER A 65 -6.016 8.794 0.245 1.00 0.00 O ATOM 429 CB SER A 65 -5.831 5.999 1.720 1.00 0.00 C ATOM 430 OG SER A 65 -5.950 5.591 3.075 1.00 0.00 O ATOM 0 H SER A 65 -8.195 5.332 1.087 1.00 0.00 H new ATOM 0 HA SER A 65 -7.003 7.727 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.940 5.155 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.856 6.444 1.522 1.00 0.00 H new ATOM 0 HG SER A 65 -5.257 4.929 3.279 1.00 0.00 H new ATOM 436 N HIS A 66 -7.279 7.323 -0.831 1.00 0.00 N ATOM 437 CA HIS A 66 -7.082 8.020 -2.126 1.00 0.00 C ATOM 438 C HIS A 66 -7.923 9.288 -2.184 1.00 0.00 C ATOM 439 O HIS A 66 -8.291 9.745 -3.248 1.00 0.00 O ATOM 440 CB HIS A 66 -7.529 7.080 -3.260 1.00 0.00 C ATOM 441 CG HIS A 66 -6.533 5.923 -3.392 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.291 6.041 -3.370 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.770 4.572 -3.566 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.715 4.918 -3.510 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.582 3.914 -3.643 1.00 0.00 N ATOM 0 H HIS A 66 -7.867 6.490 -0.866 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.030 8.287 -2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.526 6.692 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.589 7.630 -4.199 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.800 6.928 -3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.745 4.112 -3.631 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.643 4.790 -3.520 1.00 0.00 H new ATOM 453 N GLN A 67 -8.218 9.828 -1.035 1.00 0.00 N ATOM 454 CA GLN A 67 -9.036 11.067 -0.993 1.00 0.00 C ATOM 455 C GLN A 67 -8.213 12.288 -1.395 1.00 0.00 C ATOM 456 O GLN A 67 -8.283 13.318 -0.756 1.00 0.00 O ATOM 457 CB GLN A 67 -9.534 11.265 0.448 1.00 0.00 C ATOM 458 CG GLN A 67 -8.351 11.119 1.410 1.00 0.00 C ATOM 459 CD GLN A 67 -8.759 11.625 2.796 1.00 0.00 C ATOM 460 OE1 GLN A 67 -8.039 12.366 3.434 1.00 0.00 O ATOM 461 NE2 GLN A 67 -9.903 11.249 3.297 1.00 0.00 N ATOM 0 H GLN A 67 -7.928 9.465 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.866 10.965 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.988 12.250 0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.304 10.531 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.042 10.075 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.496 11.685 1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.512 10.627 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.188 11.577 4.220 1.00 0.00 H new ATOM 470 N GLU A 68 -7.451 12.152 -2.448 1.00 0.00 N ATOM 471 CA GLU A 68 -6.617 13.296 -2.907 1.00 0.00 C ATOM 472 C GLU A 68 -5.660 13.754 -1.806 1.00 0.00 C ATOM 473 O GLU A 68 -6.080 14.154 -0.739 1.00 0.00 O ATOM 474 CB GLU A 68 -7.552 14.466 -3.278 1.00 0.00 C ATOM 475 CG GLU A 68 -8.763 13.920 -4.049 1.00 0.00 C ATOM 476 CD GLU A 68 -9.458 15.067 -4.790 1.00 0.00 C ATOM 477 OE1 GLU A 68 -9.071 16.195 -4.530 1.00 0.00 O ATOM 478 OE2 GLU A 68 -10.338 14.751 -5.574 1.00 0.00 O ATOM 0 H GLU A 68 -7.372 11.302 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.027 12.980 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.882 14.983 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.017 15.196 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.442 13.157 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.460 13.442 -3.361 1.00 0.00 H new ATOM 485 N LYS A 69 -4.387 13.687 -2.090 1.00 0.00 N ATOM 486 CA LYS A 69 -3.389 14.112 -1.076 1.00 0.00 C ATOM 487 C LYS A 69 -3.324 15.633 -0.974 1.00 0.00 C ATOM 488 O LYS A 69 -2.379 16.249 -1.428 1.00 0.00 O ATOM 489 CB LYS A 69 -2.010 13.586 -1.507 1.00 0.00 C ATOM 490 CG LYS A 69 -2.148 12.134 -1.968 1.00 0.00 C ATOM 491 CD LYS A 69 -0.756 11.517 -2.102 1.00 0.00 C ATOM 492 CE LYS A 69 -0.894 10.045 -2.491 1.00 0.00 C ATOM 493 NZ LYS A 69 0.446 9.442 -2.735 1.00 0.00 N ATOM 0 H LYS A 69 -4.000 13.358 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.679 13.712 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.609 14.200 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.307 13.651 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.743 11.567 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.672 12.091 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.179 12.052 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.213 11.608 -1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.406 9.500 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.508 9.956 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.334 8.442 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.921 9.952 -3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.020 9.510 -1.870 1.00 0.00 H new ATOM 507 N ALA A 70 -4.330 16.213 -0.376 1.00 0.00 N ATOM 508 CA ALA A 70 -4.342 17.691 -0.236 1.00 0.00 C ATOM 509 C ALA A 70 -5.490 18.139 0.659 1.00 0.00 C ATOM 510 O ALA A 70 -5.199 18.435 1.806 1.00 0.00 O ATOM 511 CB ALA A 70 -4.531 18.311 -1.629 1.00 0.00 C ATOM 512 OXT ALA A 70 -6.598 18.159 0.147 1.00 0.00 O ATOM 0 H ALA A 70 -5.137 15.729 0.018 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.402 18.013 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.542 19.398 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.710 18.006 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.475 17.970 -2.054 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.471 1.933 -3.897 1.00 0.00 ZN