USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=4 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 USER MOD Set 1.2: A 56 ASN : amide:sc= -5.18! C(o=-5.2!,f=-4.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -15.7! C(o=-16!,f=-17!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.2!) 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= -2.83! C(o=-2.8!,f=-6.8!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -8.742 -14.780 -8.374 1.00 0.00 N ATOM 2 CA ASP A 39 -7.326 -14.576 -7.986 1.00 0.00 C ATOM 3 C ASP A 39 -7.146 -13.195 -7.374 1.00 0.00 C ATOM 4 O ASP A 39 -6.715 -12.270 -8.034 1.00 0.00 O ATOM 5 CB ASP A 39 -6.424 -14.683 -9.225 1.00 0.00 C ATOM 6 CG ASP A 39 -4.959 -14.700 -8.782 1.00 0.00 C ATOM 7 OD1 ASP A 39 -4.696 -14.093 -7.757 1.00 0.00 O ATOM 8 OD2 ASP A 39 -4.187 -15.319 -9.494 1.00 0.00 O ATOM 0 HA ASP A 39 -7.053 -15.341 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.658 -15.590 -9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.604 -13.842 -9.894 1.00 0.00 H new ATOM 15 N ARG A 40 -7.482 -13.081 -6.119 1.00 0.00 N ATOM 16 CA ARG A 40 -7.340 -11.770 -5.438 1.00 0.00 C ATOM 17 C ARG A 40 -7.906 -10.630 -6.293 1.00 0.00 C ATOM 18 O ARG A 40 -7.165 -9.821 -6.815 1.00 0.00 O ATOM 19 CB ARG A 40 -5.841 -11.510 -5.210 1.00 0.00 C ATOM 20 CG ARG A 40 -5.339 -12.410 -4.082 1.00 0.00 C ATOM 21 CD ARG A 40 -3.810 -12.316 -4.004 1.00 0.00 C ATOM 22 NE ARG A 40 -3.305 -13.390 -3.097 1.00 0.00 N ATOM 23 CZ ARG A 40 -2.151 -13.241 -2.493 1.00 0.00 C ATOM 24 NH1 ARG A 40 -1.966 -12.192 -1.738 1.00 0.00 N ATOM 25 NH2 ARG A 40 -1.226 -14.144 -2.668 1.00 0.00 N ATOM 0 H ARG A 40 -7.847 -13.837 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.891 -11.802 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.282 -11.708 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.676 -10.463 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.783 -12.107 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.643 -13.441 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.374 -12.426 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.511 -11.336 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.856 -14.236 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.713 -11.506 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.075 -12.059 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.407 -14.950 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.322 -14.044 -2.206 1.00 0.00 H new ATOM 39 N PRO A 41 -9.223 -10.583 -6.420 1.00 0.00 N ATOM 40 CA PRO A 41 -9.861 -9.552 -7.201 1.00 0.00 C ATOM 41 C PRO A 41 -9.659 -8.183 -6.524 1.00 0.00 C ATOM 42 O PRO A 41 -8.619 -7.924 -5.952 1.00 0.00 O ATOM 43 CB PRO A 41 -11.381 -9.972 -7.244 1.00 0.00 C ATOM 44 CG PRO A 41 -11.488 -11.335 -6.503 1.00 0.00 C ATOM 45 CD PRO A 41 -10.135 -11.552 -5.805 1.00 0.00 C ATOM 0 HA PRO A 41 -9.450 -9.455 -8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.005 -9.219 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.729 -10.062 -8.273 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.302 -11.321 -5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.699 -12.143 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.216 -11.389 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.779 -12.572 -5.946 1.00 0.00 H new ATOM 53 N TYR A 42 -10.658 -7.363 -6.601 1.00 0.00 N ATOM 54 CA TYR A 42 -10.596 -5.994 -5.989 1.00 0.00 C ATOM 55 C TYR A 42 -9.189 -5.423 -6.033 1.00 0.00 C ATOM 56 O TYR A 42 -8.530 -5.296 -5.022 1.00 0.00 O ATOM 57 CB TYR A 42 -11.067 -6.088 -4.526 1.00 0.00 C ATOM 58 CG TYR A 42 -12.590 -6.236 -4.502 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.403 -5.141 -4.715 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.171 -7.466 -4.275 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.775 -5.273 -4.702 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.545 -7.599 -4.261 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.358 -6.502 -4.476 1.00 0.00 C ATOM 64 OH TYR A 42 -16.731 -6.634 -4.468 1.00 0.00 O ATOM 0 H TYR A 42 -11.538 -7.578 -7.070 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.242 -5.328 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.598 -6.940 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.767 -5.196 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.960 -4.172 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.547 -8.331 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.398 -4.407 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.988 -8.567 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.969 -7.569 -4.295 1.00 0.00 H new ATOM 74 N SER A 43 -8.761 -5.085 -7.216 1.00 0.00 N ATOM 75 CA SER A 43 -7.393 -4.514 -7.380 1.00 0.00 C ATOM 76 C SER A 43 -7.443 -3.004 -7.492 1.00 0.00 C ATOM 77 O SER A 43 -7.532 -2.466 -8.579 1.00 0.00 O ATOM 78 CB SER A 43 -6.795 -5.082 -8.676 1.00 0.00 C ATOM 79 OG SER A 43 -5.410 -4.792 -8.577 1.00 0.00 O ATOM 0 H SER A 43 -9.298 -5.179 -8.078 1.00 0.00 H new ATOM 0 HA SER A 43 -6.789 -4.777 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.972 -6.154 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.237 -4.616 -9.556 1.00 0.00 H new ATOM 0 HG SER A 43 -4.948 -5.127 -9.374 1.00 0.00 H new ATOM 85 N CYS A 44 -7.384 -2.335 -6.372 1.00 0.00 N ATOM 86 CA CYS A 44 -7.428 -0.874 -6.426 1.00 0.00 C ATOM 87 C CYS A 44 -6.286 -0.331 -7.266 1.00 0.00 C ATOM 88 O CYS A 44 -5.176 -0.822 -7.209 1.00 0.00 O ATOM 89 CB CYS A 44 -7.275 -0.328 -5.012 1.00 0.00 C ATOM 90 SG CYS A 44 -6.890 1.421 -4.869 1.00 0.00 S ATOM 0 H CYS A 44 -7.308 -2.744 -5.441 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.377 -0.570 -6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.201 -0.520 -4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.489 -0.893 -4.511 1.00 0.00 H new ATOM 95 N ASP A 45 -6.583 0.677 -8.034 1.00 0.00 N ATOM 96 CA ASP A 45 -5.543 1.298 -8.901 1.00 0.00 C ATOM 97 C ASP A 45 -5.671 2.802 -8.819 1.00 0.00 C ATOM 98 O ASP A 45 -5.615 3.497 -9.813 1.00 0.00 O ATOM 99 CB ASP A 45 -5.775 0.851 -10.350 1.00 0.00 C ATOM 100 CG ASP A 45 -4.658 1.414 -11.231 1.00 0.00 C ATOM 101 OD1 ASP A 45 -3.516 1.219 -10.844 1.00 0.00 O ATOM 102 OD2 ASP A 45 -5.006 2.009 -12.236 1.00 0.00 O ATOM 0 H ASP A 45 -7.508 1.101 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.549 0.993 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.789 -0.237 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.745 1.203 -10.702 1.00 0.00 H new ATOM 107 N HIS A 46 -5.845 3.272 -7.619 1.00 0.00 N ATOM 108 CA HIS A 46 -5.987 4.724 -7.399 1.00 0.00 C ATOM 109 C HIS A 46 -4.789 5.462 -8.000 1.00 0.00 C ATOM 110 O HIS A 46 -3.782 4.857 -8.289 1.00 0.00 O ATOM 111 CB HIS A 46 -6.060 4.919 -5.843 1.00 0.00 C ATOM 112 CG HIS A 46 -5.065 5.982 -5.318 1.00 0.00 C ATOM 113 ND1 HIS A 46 -5.391 7.060 -4.773 1.00 0.00 N ATOM 114 CD2 HIS A 46 -3.690 5.964 -5.303 1.00 0.00 C ATOM 115 CE1 HIS A 46 -4.372 7.726 -4.413 1.00 0.00 C ATOM 116 NE2 HIS A 46 -3.232 7.103 -4.712 1.00 0.00 N ATOM 0 H HIS A 46 -5.895 2.701 -6.775 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.878 5.128 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.073 5.210 -5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.857 3.967 -5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.071 5.172 -5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.423 8.686 -3.921 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.271 7.400 -4.543 1.00 0.00 H new ATOM 124 N PRO A 47 -4.931 6.769 -8.198 1.00 0.00 N ATOM 125 CA PRO A 47 -3.849 7.565 -8.761 1.00 0.00 C ATOM 126 C PRO A 47 -2.514 7.318 -8.014 1.00 0.00 C ATOM 127 O PRO A 47 -2.110 8.096 -7.171 1.00 0.00 O ATOM 128 CB PRO A 47 -4.327 9.053 -8.605 1.00 0.00 C ATOM 129 CG PRO A 47 -5.795 9.009 -8.045 1.00 0.00 C ATOM 130 CD PRO A 47 -6.178 7.517 -7.899 1.00 0.00 C ATOM 0 HA PRO A 47 -3.650 7.306 -9.801 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.672 9.599 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.296 9.570 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.857 9.519 -7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.481 9.519 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.538 7.298 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.976 7.245 -8.589 1.00 0.00 H new ATOM 138 N GLY A 48 -1.860 6.218 -8.345 1.00 0.00 N ATOM 139 CA GLY A 48 -0.549 5.886 -7.678 1.00 0.00 C ATOM 140 C GLY A 48 -0.695 4.743 -6.647 1.00 0.00 C ATOM 141 O GLY A 48 -0.543 4.959 -5.460 1.00 0.00 O ATOM 0 H GLY A 48 -2.175 5.543 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.181 5.600 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.160 6.775 -7.181 1.00 0.00 H new ATOM 145 N CYS A 49 -0.990 3.549 -7.122 1.00 0.00 N ATOM 146 CA CYS A 49 -1.142 2.395 -6.173 1.00 0.00 C ATOM 147 C CYS A 49 -1.188 1.067 -6.907 1.00 0.00 C ATOM 148 O CYS A 49 -1.414 1.012 -8.099 1.00 0.00 O ATOM 149 CB CYS A 49 -2.449 2.541 -5.390 1.00 0.00 C ATOM 150 SG CYS A 49 -3.074 1.061 -4.543 1.00 0.00 S ATOM 0 H CYS A 49 -1.130 3.328 -8.108 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.279 2.407 -5.507 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.312 3.325 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.219 2.888 -6.079 1.00 0.00 H new ATOM 155 N ASP A 50 -0.973 0.014 -6.164 1.00 0.00 N ATOM 156 CA ASP A 50 -0.993 -1.340 -6.770 1.00 0.00 C ATOM 157 C ASP A 50 -1.261 -2.396 -5.700 1.00 0.00 C ATOM 158 O ASP A 50 -0.554 -3.380 -5.604 1.00 0.00 O ATOM 159 CB ASP A 50 0.381 -1.612 -7.399 1.00 0.00 C ATOM 160 CG ASP A 50 0.353 -2.974 -8.091 1.00 0.00 C ATOM 161 OD1 ASP A 50 -0.345 -3.060 -9.088 1.00 0.00 O ATOM 162 OD2 ASP A 50 1.030 -3.853 -7.583 1.00 0.00 O ATOM 0 H ASP A 50 -0.784 0.038 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.781 -1.387 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.627 -0.830 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.156 -1.596 -6.632 1.00 0.00 H new ATOM 167 N LYS A 51 -2.289 -2.168 -4.906 1.00 0.00 N ATOM 168 CA LYS A 51 -2.634 -3.148 -3.820 1.00 0.00 C ATOM 169 C LYS A 51 -3.802 -4.058 -4.233 1.00 0.00 C ATOM 170 O LYS A 51 -4.787 -3.603 -4.779 1.00 0.00 O ATOM 171 CB LYS A 51 -3.038 -2.336 -2.555 1.00 0.00 C ATOM 172 CG LYS A 51 -2.718 -3.157 -1.285 1.00 0.00 C ATOM 173 CD LYS A 51 -1.219 -2.996 -0.914 1.00 0.00 C ATOM 174 CE LYS A 51 -1.025 -1.750 -0.040 1.00 0.00 C ATOM 175 NZ LYS A 51 0.388 -1.286 -0.106 1.00 0.00 N ATOM 0 H LYS A 51 -2.898 -1.352 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.771 -3.784 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.500 -1.388 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.101 -2.098 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.344 -2.822 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.949 -4.209 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.871 -3.881 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.619 -2.912 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.692 -0.955 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.292 -1.976 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.504 -0.442 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.017 -2.040 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.631 -1.051 -1.090 1.00 0.00 H new ATOM 189 N ALA A 52 -3.658 -5.341 -3.958 1.00 0.00 N ATOM 190 CA ALA A 52 -4.741 -6.321 -4.318 1.00 0.00 C ATOM 191 C ALA A 52 -5.564 -6.681 -3.090 1.00 0.00 C ATOM 192 O ALA A 52 -5.103 -6.536 -1.975 1.00 0.00 O ATOM 193 CB ALA A 52 -4.075 -7.598 -4.855 1.00 0.00 C ATOM 0 H ALA A 52 -2.841 -5.748 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.397 -5.875 -5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.843 -8.324 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.482 -7.356 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.428 -8.021 -4.087 1.00 0.00 H new ATOM 199 N PHE A 53 -6.784 -7.148 -3.306 1.00 0.00 N ATOM 200 CA PHE A 53 -7.645 -7.521 -2.132 1.00 0.00 C ATOM 201 C PHE A 53 -8.449 -8.791 -2.410 1.00 0.00 C ATOM 202 O PHE A 53 -8.656 -9.169 -3.547 1.00 0.00 O ATOM 203 CB PHE A 53 -8.613 -6.350 -1.866 1.00 0.00 C ATOM 204 CG PHE A 53 -7.887 -5.276 -1.043 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.847 -5.356 0.340 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.257 -4.215 -1.672 1.00 0.00 C ATOM 207 CE1 PHE A 53 -7.188 -4.391 1.075 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.601 -3.254 -0.932 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.567 -3.342 0.440 1.00 0.00 C ATOM 0 H PHE A 53 -7.208 -7.283 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.010 -7.714 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.962 -5.929 -2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.493 -6.704 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.334 -6.177 0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.280 -4.140 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.160 -4.461 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.113 -2.430 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.053 -2.588 1.018 1.00 0.00 H new ATOM 219 N VAL A 54 -8.888 -9.428 -1.339 1.00 0.00 N ATOM 220 CA VAL A 54 -9.689 -10.689 -1.476 1.00 0.00 C ATOM 221 C VAL A 54 -11.117 -10.492 -0.963 1.00 0.00 C ATOM 222 O VAL A 54 -11.968 -11.337 -1.161 1.00 0.00 O ATOM 223 CB VAL A 54 -9.005 -11.778 -0.619 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.899 -13.027 -0.556 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.673 -12.151 -1.264 1.00 0.00 C ATOM 0 H VAL A 54 -8.724 -9.125 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.735 -10.973 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.842 -11.399 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.413 -13.792 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.858 -12.766 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.061 -13.410 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.182 -12.919 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.850 -12.531 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.035 -11.269 -1.317 1.00 0.00 H new ATOM 235 N ARG A 55 -11.357 -9.374 -0.316 1.00 0.00 N ATOM 236 CA ARG A 55 -12.733 -9.101 0.224 1.00 0.00 C ATOM 237 C ARG A 55 -13.170 -7.682 -0.054 1.00 0.00 C ATOM 238 O ARG A 55 -12.373 -6.766 -0.005 1.00 0.00 O ATOM 239 CB ARG A 55 -12.681 -9.256 1.753 1.00 0.00 C ATOM 240 CG ARG A 55 -12.412 -10.728 2.117 1.00 0.00 C ATOM 241 CD ARG A 55 -13.661 -11.604 1.806 1.00 0.00 C ATOM 242 NE ARG A 55 -13.338 -12.509 0.670 1.00 0.00 N ATOM 243 CZ ARG A 55 -14.202 -13.414 0.307 1.00 0.00 C ATOM 244 NH1 ARG A 55 -14.496 -14.374 1.141 1.00 0.00 N ATOM 245 NH2 ARG A 55 -14.745 -13.330 -0.876 1.00 0.00 N ATOM 0 H ARG A 55 -10.667 -8.644 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.428 -9.793 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.898 -8.620 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.623 -8.929 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.553 -11.096 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.159 -10.807 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.943 -12.185 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.513 -10.972 1.555 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.448 -12.422 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.052 -14.406 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.170 -15.092 0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.491 -12.564 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.423 -14.030 -1.177 1.00 0.00 H new ATOM 259 N ASN A 56 -14.436 -7.510 -0.342 1.00 0.00 N ATOM 260 CA ASN A 56 -14.915 -6.144 -0.614 1.00 0.00 C ATOM 261 C ASN A 56 -14.688 -5.325 0.642 1.00 0.00 C ATOM 262 O ASN A 56 -13.907 -5.715 1.468 1.00 0.00 O ATOM 263 CB ASN A 56 -16.424 -6.189 -0.932 1.00 0.00 C ATOM 264 CG ASN A 56 -16.843 -4.869 -1.584 1.00 0.00 C ATOM 265 OD1 ASN A 56 -17.896 -4.332 -1.301 1.00 0.00 O ATOM 266 ND2 ASN A 56 -16.052 -4.315 -2.461 1.00 0.00 N ATOM 0 H ASN A 56 -15.138 -8.248 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.387 -5.707 -1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.642 -7.023 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.995 -6.354 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.319 -3.436 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.167 -4.761 -2.703 1.00 0.00 H new ATOM 273 N HIS A 57 -15.385 -4.231 0.788 1.00 0.00 N ATOM 274 CA HIS A 57 -15.188 -3.393 2.018 1.00 0.00 C ATOM 275 C HIS A 57 -13.724 -2.930 2.123 1.00 0.00 C ATOM 276 O HIS A 57 -13.441 -1.761 1.959 1.00 0.00 O ATOM 277 CB HIS A 57 -15.610 -4.237 3.285 1.00 0.00 C ATOM 278 CG HIS A 57 -14.715 -3.909 4.496 1.00 0.00 C ATOM 279 ND1 HIS A 57 -13.797 -4.641 4.921 1.00 0.00 N ATOM 280 CD2 HIS A 57 -14.724 -2.807 5.332 1.00 0.00 C ATOM 281 CE1 HIS A 57 -13.222 -4.129 5.928 1.00 0.00 C ATOM 282 NE2 HIS A 57 -13.746 -2.950 6.267 1.00 0.00 N ATOM 0 H HIS A 57 -16.074 -3.880 0.123 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.811 -2.501 1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -16.651 -4.031 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.542 -5.301 3.056 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -13.542 -5.539 4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -15.399 -1.968 5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.401 -4.595 6.452 1.00 0.00 H new ATOM 290 N ASP A 58 -12.818 -3.852 2.411 1.00 0.00 N ATOM 291 CA ASP A 58 -11.387 -3.463 2.523 1.00 0.00 C ATOM 292 C ASP A 58 -11.013 -2.486 1.419 1.00 0.00 C ATOM 293 O ASP A 58 -10.309 -1.538 1.651 1.00 0.00 O ATOM 294 CB ASP A 58 -10.525 -4.726 2.380 1.00 0.00 C ATOM 295 CG ASP A 58 -10.937 -5.740 3.448 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.912 -6.426 3.196 1.00 0.00 O ATOM 297 OD2 ASP A 58 -10.253 -5.770 4.458 1.00 0.00 O ATOM 0 H ASP A 58 -13.017 -4.840 2.569 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.220 -2.986 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.650 -5.156 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.470 -4.475 2.488 1.00 0.00 H new ATOM 302 N LEU A 59 -11.511 -2.743 0.233 1.00 0.00 N ATOM 303 CA LEU A 59 -11.205 -1.840 -0.913 1.00 0.00 C ATOM 304 C LEU A 59 -11.858 -0.481 -0.672 1.00 0.00 C ATOM 305 O LEU A 59 -11.314 0.547 -1.019 1.00 0.00 O ATOM 306 CB LEU A 59 -11.796 -2.488 -2.202 1.00 0.00 C ATOM 307 CG LEU A 59 -10.933 -2.126 -3.434 1.00 0.00 C ATOM 308 CD1 LEU A 59 -10.813 -0.590 -3.547 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.516 -2.779 -3.315 1.00 0.00 C ATOM 0 H LEU A 59 -12.113 -3.536 0.013 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.129 -1.700 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.838 -3.571 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.819 -2.144 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.412 -2.512 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.205 -0.335 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.806 -0.155 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.343 -0.195 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.920 -2.516 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.022 -2.414 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.618 -3.863 -3.259 1.00 0.00 H new ATOM 321 N ILE A 60 -13.019 -0.508 -0.073 1.00 0.00 N ATOM 322 CA ILE A 60 -13.723 0.760 0.202 1.00 0.00 C ATOM 323 C ILE A 60 -12.937 1.588 1.207 1.00 0.00 C ATOM 324 O ILE A 60 -12.722 2.767 1.012 1.00 0.00 O ATOM 325 CB ILE A 60 -15.107 0.433 0.776 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.814 -0.568 -0.143 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.943 1.728 0.824 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.263 -0.777 0.329 1.00 0.00 C ATOM 0 H ILE A 60 -13.501 -1.353 0.233 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.822 1.333 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.000 0.010 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -15.806 -0.202 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.280 -1.518 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.930 1.509 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.444 2.460 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.047 2.132 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.761 -1.490 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.262 -1.163 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.795 0.174 0.302 1.00 0.00 H new ATOM 340 N ARG A 61 -12.517 0.953 2.267 1.00 0.00 N ATOM 341 CA ARG A 61 -11.740 1.690 3.294 1.00 0.00 C ATOM 342 C ARG A 61 -10.343 1.987 2.770 1.00 0.00 C ATOM 343 O ARG A 61 -9.787 3.036 3.021 1.00 0.00 O ATOM 344 CB ARG A 61 -11.618 0.808 4.555 1.00 0.00 C ATOM 345 CG ARG A 61 -11.120 1.669 5.734 1.00 0.00 C ATOM 346 CD ARG A 61 -10.481 0.765 6.798 1.00 0.00 C ATOM 347 NE ARG A 61 -11.389 -0.380 7.082 1.00 0.00 N ATOM 348 CZ ARG A 61 -11.027 -1.279 7.959 1.00 0.00 C ATOM 349 NH1 ARG A 61 -10.319 -2.301 7.560 1.00 0.00 N ATOM 350 NH2 ARG A 61 -11.380 -1.123 9.206 1.00 0.00 N ATOM 0 H ARG A 61 -12.678 -0.035 2.462 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.248 2.625 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.584 0.364 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.926 -0.014 4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.394 2.402 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.951 2.226 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.515 0.400 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.296 1.332 7.710 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.283 -0.462 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.057 -2.388 6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.028 -3.012 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.930 -0.309 9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.106 -1.815 9.904 1.00 0.00 H new ATOM 364 N HIS A 62 -9.803 1.042 2.047 1.00 0.00 N ATOM 365 CA HIS A 62 -8.446 1.231 1.487 1.00 0.00 C ATOM 366 C HIS A 62 -8.472 2.348 0.432 1.00 0.00 C ATOM 367 O HIS A 62 -7.467 2.971 0.155 1.00 0.00 O ATOM 368 CB HIS A 62 -8.005 -0.112 0.836 1.00 0.00 C ATOM 369 CG HIS A 62 -6.820 0.101 -0.095 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.629 -0.183 0.169 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.800 0.679 -1.336 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.849 0.169 -0.770 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.507 0.743 -1.778 1.00 0.00 N ATOM 0 H HIS A 62 -10.247 0.151 1.824 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.744 1.516 2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.738 -0.828 1.614 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.838 -0.542 0.279 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.324 -0.639 1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.666 1.028 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.779 0.021 -0.754 1.00 0.00 H new ATOM 381 N LYS A 63 -9.644 2.577 -0.133 1.00 0.00 N ATOM 382 CA LYS A 63 -9.790 3.645 -1.177 1.00 0.00 C ATOM 383 C LYS A 63 -10.317 4.954 -0.576 1.00 0.00 C ATOM 384 O LYS A 63 -10.711 5.854 -1.287 1.00 0.00 O ATOM 385 CB LYS A 63 -10.794 3.114 -2.236 1.00 0.00 C ATOM 386 CG LYS A 63 -11.130 4.220 -3.270 1.00 0.00 C ATOM 387 CD LYS A 63 -11.508 3.574 -4.614 1.00 0.00 C ATOM 388 CE LYS A 63 -11.963 4.664 -5.586 1.00 0.00 C ATOM 389 NZ LYS A 63 -12.379 4.065 -6.886 1.00 0.00 N ATOM 0 H LYS A 63 -10.501 2.069 0.086 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.818 3.863 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.370 2.249 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.707 2.779 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.954 4.834 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.273 4.881 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.654 3.036 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.304 2.844 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.794 5.221 -5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.153 5.375 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.685 4.819 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.577 3.553 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.166 3.404 -6.728 1.00 0.00 H new ATOM 403 N LYS A 64 -10.293 5.047 0.720 1.00 0.00 N ATOM 404 CA LYS A 64 -10.792 6.292 1.371 1.00 0.00 C ATOM 405 C LYS A 64 -9.737 7.400 1.342 1.00 0.00 C ATOM 406 O LYS A 64 -9.910 8.410 0.693 1.00 0.00 O ATOM 407 CB LYS A 64 -11.125 5.961 2.843 1.00 0.00 C ATOM 408 CG LYS A 64 -11.837 7.182 3.528 1.00 0.00 C ATOM 409 CD LYS A 64 -13.353 6.922 3.641 1.00 0.00 C ATOM 410 CE LYS A 64 -13.971 6.891 2.241 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.452 7.015 2.324 1.00 0.00 N ATOM 0 H LYS A 64 -9.954 4.324 1.355 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.670 6.645 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.769 5.083 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.211 5.714 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.415 7.349 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.659 8.088 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.533 5.976 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.823 7.702 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.565 7.704 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.705 5.960 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.856 6.992 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.836 6.225 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.700 7.915 2.783 1.00 0.00 H new ATOM 425 N SER A 65 -8.665 7.183 2.050 1.00 0.00 N ATOM 426 CA SER A 65 -7.580 8.207 2.087 1.00 0.00 C ATOM 427 C SER A 65 -6.889 8.365 0.736 1.00 0.00 C ATOM 428 O SER A 65 -5.996 9.175 0.590 1.00 0.00 O ATOM 429 CB SER A 65 -6.538 7.757 3.114 1.00 0.00 C ATOM 430 OG SER A 65 -7.195 7.913 4.362 1.00 0.00 O ATOM 0 H SER A 65 -8.491 6.344 2.604 1.00 0.00 H new ATOM 0 HA SER A 65 -8.025 9.167 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.236 6.723 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.635 8.366 3.059 1.00 0.00 H new ATOM 0 HG SER A 65 -6.592 7.642 5.085 1.00 0.00 H new ATOM 436 N HIS A 66 -7.300 7.593 -0.220 1.00 0.00 N ATOM 437 CA HIS A 66 -6.667 7.696 -1.559 1.00 0.00 C ATOM 438 C HIS A 66 -7.031 9.031 -2.234 1.00 0.00 C ATOM 439 O HIS A 66 -6.639 9.280 -3.360 1.00 0.00 O ATOM 440 CB HIS A 66 -7.211 6.513 -2.425 1.00 0.00 C ATOM 441 CG HIS A 66 -6.125 5.450 -2.636 1.00 0.00 C ATOM 442 ND1 HIS A 66 -4.895 5.646 -2.587 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.266 4.121 -2.942 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.249 4.583 -2.833 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.048 3.552 -3.070 1.00 0.00 N ATOM 0 H HIS A 66 -8.042 6.898 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.582 7.652 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.075 6.065 -1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.551 6.889 -3.390 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.464 6.546 -2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.208 3.607 -3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.171 4.524 -2.848 1.00 0.00 H new ATOM 453 N GLN A 67 -7.767 9.868 -1.527 1.00 0.00 N ATOM 454 CA GLN A 67 -8.172 11.193 -2.113 1.00 0.00 C ATOM 455 C GLN A 67 -7.413 12.366 -1.484 1.00 0.00 C ATOM 456 O GLN A 67 -6.451 12.848 -2.046 1.00 0.00 O ATOM 457 CB GLN A 67 -9.692 11.368 -1.860 1.00 0.00 C ATOM 458 CG GLN A 67 -10.435 10.065 -2.226 1.00 0.00 C ATOM 459 CD GLN A 67 -9.919 9.521 -3.565 1.00 0.00 C ATOM 460 OE1 GLN A 67 -9.242 8.513 -3.616 1.00 0.00 O ATOM 461 NE2 GLN A 67 -10.209 10.158 -4.661 1.00 0.00 N ATOM 0 H GLN A 67 -8.101 9.692 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.934 11.196 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.870 11.618 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.076 12.196 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.289 9.322 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.507 10.254 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.777 11.004 -4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.869 9.811 -5.558 1.00 0.00 H new ATOM 470 N GLU A 68 -7.851 12.808 -0.336 1.00 0.00 N ATOM 471 CA GLU A 68 -7.153 13.945 0.313 1.00 0.00 C ATOM 472 C GLU A 68 -5.786 13.521 0.862 1.00 0.00 C ATOM 473 O GLU A 68 -4.892 13.196 0.106 1.00 0.00 O ATOM 474 CB GLU A 68 -8.040 14.471 1.460 1.00 0.00 C ATOM 475 CG GLU A 68 -8.605 13.294 2.264 1.00 0.00 C ATOM 476 CD GLU A 68 -9.263 13.832 3.535 1.00 0.00 C ATOM 477 OE1 GLU A 68 -9.852 14.896 3.428 1.00 0.00 O ATOM 478 OE2 GLU A 68 -9.140 13.153 4.539 1.00 0.00 O ATOM 0 H GLU A 68 -8.652 12.434 0.172 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.982 14.727 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.458 15.122 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.855 15.071 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.333 12.744 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.809 12.595 2.519 1.00 0.00 H new ATOM 485 N LYS A 69 -5.650 13.533 2.170 1.00 0.00 N ATOM 486 CA LYS A 69 -4.347 13.136 2.799 1.00 0.00 C ATOM 487 C LYS A 69 -4.566 12.071 3.867 1.00 0.00 C ATOM 488 O LYS A 69 -5.687 11.772 4.228 1.00 0.00 O ATOM 489 CB LYS A 69 -3.749 14.385 3.467 1.00 0.00 C ATOM 490 CG LYS A 69 -3.431 15.430 2.388 1.00 0.00 C ATOM 491 CD LYS A 69 -3.252 16.800 3.049 1.00 0.00 C ATOM 492 CE LYS A 69 -2.832 17.819 1.987 1.00 0.00 C ATOM 493 NZ LYS A 69 -2.904 19.206 2.533 1.00 0.00 N ATOM 0 H LYS A 69 -6.383 13.800 2.827 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.682 12.733 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.451 14.796 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.843 14.122 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.524 15.151 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.236 15.469 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.182 17.113 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.498 16.743 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.817 17.606 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.480 17.732 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.616 19.884 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.879 19.412 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.268 19.290 3.351 1.00 0.00 H new ATOM 507 N ALA A 70 -3.488 11.514 4.352 1.00 0.00 N ATOM 508 CA ALA A 70 -3.613 10.467 5.396 1.00 0.00 C ATOM 509 C ALA A 70 -4.303 11.020 6.635 1.00 0.00 C ATOM 510 O ALA A 70 -4.353 12.235 6.730 1.00 0.00 O ATOM 511 CB ALA A 70 -2.203 9.998 5.784 1.00 0.00 C ATOM 512 OXT ALA A 70 -4.743 10.197 7.422 1.00 0.00 O ATOM 0 H ALA A 70 -2.534 11.740 4.070 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.207 9.641 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.274 9.227 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.701 9.591 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.632 10.842 6.170 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.055 1.611 -3.516 1.00 0.00 ZN