USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 486 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 45 HIS HD1 : A 45 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HE2 : A 51 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 58 MET CE :methyl -106:sc= -0.0766 (180deg=0) USER MOD Set 1.2: A 65 SER OG : rot -62:sc= -0.0716 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0589 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -142:sc= -0.0446 (180deg=-1.26) USER MOD Single : A 12 GLN : amide:sc= -3.05 K(o=-3,f=-5.9!) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= 0.373 (180deg=0.0123) USER MOD Single : A 14 SER OG : rot 22:sc= 0.917 USER MOD Single : A 20 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.9!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.161 F(o=-1.6,f=-0.16) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.446 F(o=-1.1,f=-0.45) USER MOD Single : A 30 GLN : amide:sc= -2.27! K(o=-2.3!,f=-4.1) USER MOD Single : A 34 SER OG : rot -110:sc= 1.12 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 148:sc= -0.572 (180deg=-1.81!) USER MOD Single : A 50 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.28) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.419 -43.810 12.574 1.00 0.00 N ATOM 2 CA GLY A 1 9.679 -42.646 11.748 1.00 0.00 C ATOM 3 C GLY A 1 8.410 -42.036 11.187 1.00 0.00 C ATOM 4 O GLY A 1 7.356 -42.672 11.187 1.00 0.00 O ATOM 0 H1 GLY A 1 9.682 -43.603 13.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.408 -44.049 12.529 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.980 -44.614 12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.208 -41.897 12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.337 -42.928 10.926 1.00 0.00 H new ATOM 8 N SER A 2 8.509 -40.800 10.710 1.00 0.00 N ATOM 9 CA SER A 2 7.358 -40.103 10.148 1.00 0.00 C ATOM 10 C SER A 2 7.732 -39.395 8.850 1.00 0.00 C ATOM 11 O SER A 2 8.830 -38.856 8.718 1.00 0.00 O ATOM 12 CB SER A 2 6.808 -39.089 11.155 1.00 0.00 C ATOM 13 OG SER A 2 7.810 -38.167 11.548 1.00 0.00 O ATOM 0 H SER A 2 9.374 -40.260 10.701 1.00 0.00 H new ATOM 0 HA SER A 2 6.588 -40.843 9.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.968 -38.552 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.427 -39.612 12.032 1.00 0.00 H new ATOM 0 HG SER A 2 7.434 -37.529 12.190 1.00 0.00 H new ATOM 19 N SER A 3 6.809 -39.402 7.893 1.00 0.00 N ATOM 20 CA SER A 3 7.042 -38.764 6.602 1.00 0.00 C ATOM 21 C SER A 3 6.400 -37.381 6.556 1.00 0.00 C ATOM 22 O SER A 3 5.493 -37.079 7.330 1.00 0.00 O ATOM 23 CB SER A 3 6.487 -39.634 5.472 1.00 0.00 C ATOM 24 OG SER A 3 5.085 -39.471 5.344 1.00 0.00 O ATOM 0 H SER A 3 5.894 -39.842 7.987 1.00 0.00 H new ATOM 0 HA SER A 3 8.118 -38.651 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.974 -39.370 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.718 -40.681 5.668 1.00 0.00 H new ATOM 0 HG SER A 3 4.755 -40.036 4.614 1.00 0.00 H new ATOM 30 N GLY A 4 6.879 -36.544 5.640 1.00 0.00 N ATOM 31 CA GLY A 4 6.341 -35.202 5.509 1.00 0.00 C ATOM 32 C GLY A 4 7.029 -34.210 6.425 1.00 0.00 C ATOM 33 O GLY A 4 6.657 -34.068 7.589 1.00 0.00 O ATOM 0 H GLY A 4 7.629 -36.771 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.446 -34.871 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.274 -35.218 5.732 1.00 0.00 H new ATOM 37 N SER A 5 8.037 -33.521 5.898 1.00 0.00 N ATOM 38 CA SER A 5 8.783 -32.540 6.679 1.00 0.00 C ATOM 39 C SER A 5 7.878 -31.391 7.114 1.00 0.00 C ATOM 40 O SER A 5 6.707 -31.334 6.741 1.00 0.00 O ATOM 41 CB SER A 5 9.959 -31.998 5.865 1.00 0.00 C ATOM 42 OG SER A 5 9.507 -31.241 4.756 1.00 0.00 O ATOM 0 H SER A 5 8.356 -33.624 4.935 1.00 0.00 H new ATOM 0 HA SER A 5 9.166 -33.036 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.589 -31.376 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.576 -32.826 5.517 1.00 0.00 H new ATOM 0 HG SER A 5 10.278 -30.905 4.253 1.00 0.00 H new ATOM 48 N SER A 6 8.432 -30.478 7.905 1.00 0.00 N ATOM 49 CA SER A 6 7.676 -29.332 8.395 1.00 0.00 C ATOM 50 C SER A 6 7.906 -28.110 7.510 1.00 0.00 C ATOM 51 O SER A 6 6.973 -27.578 6.912 1.00 0.00 O ATOM 52 CB SER A 6 8.071 -29.012 9.838 1.00 0.00 C ATOM 53 OG SER A 6 7.042 -28.299 10.502 1.00 0.00 O ATOM 0 H SER A 6 9.402 -30.510 8.220 1.00 0.00 H new ATOM 0 HA SER A 6 6.617 -29.587 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.281 -29.937 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.989 -28.424 9.845 1.00 0.00 H new ATOM 0 HG SER A 6 7.318 -28.108 11.423 1.00 0.00 H new ATOM 59 N GLY A 7 9.159 -27.671 7.433 1.00 0.00 N ATOM 60 CA GLY A 7 9.492 -26.516 6.620 1.00 0.00 C ATOM 61 C GLY A 7 8.822 -25.249 7.112 1.00 0.00 C ATOM 62 O GLY A 7 7.932 -25.298 7.962 1.00 0.00 O ATOM 0 H GLY A 7 9.949 -28.095 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.573 -26.375 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.195 -26.704 5.588 1.00 0.00 H new ATOM 66 N SER A 8 9.250 -24.109 6.578 1.00 0.00 N ATOM 67 CA SER A 8 8.689 -22.822 6.972 1.00 0.00 C ATOM 68 C SER A 8 7.192 -22.770 6.681 1.00 0.00 C ATOM 69 O SER A 8 6.623 -23.710 6.127 1.00 0.00 O ATOM 70 CB SER A 8 9.402 -21.685 6.239 1.00 0.00 C ATOM 71 OG SER A 8 10.738 -21.545 6.692 1.00 0.00 O ATOM 0 H SER A 8 9.983 -24.051 5.871 1.00 0.00 H new ATOM 0 HA SER A 8 8.837 -22.702 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.397 -21.880 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.862 -20.751 6.396 1.00 0.00 H new ATOM 0 HG SER A 8 11.173 -20.813 6.207 1.00 0.00 H new ATOM 77 N ARG A 9 6.560 -21.663 7.059 1.00 0.00 N ATOM 78 CA ARG A 9 5.130 -21.487 6.840 1.00 0.00 C ATOM 79 C ARG A 9 4.868 -20.396 5.806 1.00 0.00 C ATOM 80 O ARG A 9 5.541 -19.366 5.792 1.00 0.00 O ATOM 81 CB ARG A 9 4.430 -21.137 8.155 1.00 0.00 C ATOM 82 CG ARG A 9 4.217 -22.333 9.069 1.00 0.00 C ATOM 83 CD ARG A 9 2.896 -23.027 8.780 1.00 0.00 C ATOM 84 NE ARG A 9 2.477 -23.888 9.883 1.00 0.00 N ATOM 85 CZ ARG A 9 1.294 -24.490 9.937 1.00 0.00 C ATOM 86 NH1 ARG A 9 0.418 -24.327 8.955 1.00 0.00 N ATOM 87 NH2 ARG A 9 0.986 -25.258 10.974 1.00 0.00 N ATOM 0 H ARG A 9 7.016 -20.875 7.518 1.00 0.00 H new ATOM 0 HA ARG A 9 4.728 -22.427 6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.020 -20.388 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.464 -20.683 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.036 -23.040 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.238 -22.006 10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.127 -22.278 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.990 -23.622 7.871 1.00 0.00 H new ATOM 0 HE ARG A 9 3.128 -24.035 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.652 -23.738 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.490 -24.790 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.658 -25.387 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.077 -25.720 11.015 1.00 0.00 H new ATOM 101 N SER A 10 3.886 -20.631 4.941 1.00 0.00 N ATOM 102 CA SER A 10 3.538 -19.671 3.901 1.00 0.00 C ATOM 103 C SER A 10 2.330 -18.836 4.314 1.00 0.00 C ATOM 104 O SER A 10 1.414 -19.330 4.973 1.00 0.00 O ATOM 105 CB SER A 10 3.246 -20.395 2.585 1.00 0.00 C ATOM 106 OG SER A 10 2.192 -21.330 2.741 1.00 0.00 O ATOM 0 H SER A 10 3.318 -21.478 4.940 1.00 0.00 H new ATOM 0 HA SER A 10 4.388 -19.003 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.981 -19.668 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.144 -20.908 2.241 1.00 0.00 H new ATOM 0 HG SER A 10 2.023 -21.778 1.886 1.00 0.00 H new ATOM 112 N LYS A 11 2.334 -17.566 3.922 1.00 0.00 N ATOM 113 CA LYS A 11 1.239 -16.661 4.249 1.00 0.00 C ATOM 114 C LYS A 11 0.252 -16.559 3.090 1.00 0.00 C ATOM 115 O LYS A 11 0.459 -17.156 2.034 1.00 0.00 O ATOM 116 CB LYS A 11 1.783 -15.272 4.592 1.00 0.00 C ATOM 117 CG LYS A 11 1.017 -14.575 5.702 1.00 0.00 C ATOM 118 CD LYS A 11 1.664 -14.808 7.057 1.00 0.00 C ATOM 119 CE LYS A 11 1.106 -16.050 7.736 1.00 0.00 C ATOM 120 NZ LYS A 11 1.938 -17.254 7.459 1.00 0.00 N ATOM 0 H LYS A 11 3.084 -17.140 3.377 1.00 0.00 H new ATOM 0 HA LYS A 11 0.715 -17.064 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.829 -15.363 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.756 -14.650 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.972 -13.505 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.010 -14.939 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.742 -14.913 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.499 -13.939 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.055 -15.884 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.087 -16.226 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.320 -18.081 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.492 -17.101 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.583 -17.421 8.257 1.00 0.00 H new ATOM 134 N GLN A 12 -0.819 -15.800 3.296 1.00 0.00 N ATOM 135 CA GLN A 12 -1.837 -15.621 2.267 1.00 0.00 C ATOM 136 C GLN A 12 -2.616 -16.912 2.041 1.00 0.00 C ATOM 137 O GLN A 12 -2.999 -17.230 0.915 1.00 0.00 O ATOM 138 CB GLN A 12 -1.193 -15.164 0.957 1.00 0.00 C ATOM 139 CG GLN A 12 -2.186 -14.589 -0.041 1.00 0.00 C ATOM 140 CD GLN A 12 -3.299 -13.807 0.628 1.00 0.00 C ATOM 141 OE1 GLN A 12 -4.216 -14.386 1.211 1.00 0.00 O ATOM 142 NE2 GLN A 12 -3.225 -12.484 0.548 1.00 0.00 N ATOM 0 H GLN A 12 -1.005 -15.299 4.165 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.532 -14.854 2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.435 -14.412 1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.679 -16.010 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.659 -13.938 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.618 -15.401 -0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.447 -12.046 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.946 -11.906 0.980 1.00 0.00 H new ATOM 151 N LYS A 13 -2.847 -17.654 3.119 1.00 0.00 N ATOM 152 CA LYS A 13 -3.581 -18.911 3.040 1.00 0.00 C ATOM 153 C LYS A 13 -4.739 -18.804 2.053 1.00 0.00 C ATOM 154 O LYS A 13 -5.032 -19.749 1.320 1.00 0.00 O ATOM 155 CB LYS A 13 -4.110 -19.305 4.421 1.00 0.00 C ATOM 156 CG LYS A 13 -3.016 -19.671 5.410 1.00 0.00 C ATOM 157 CD LYS A 13 -2.526 -21.094 5.198 1.00 0.00 C ATOM 158 CE LYS A 13 -1.747 -21.600 6.402 1.00 0.00 C ATOM 159 NZ LYS A 13 -0.434 -20.912 6.543 1.00 0.00 N ATOM 0 H LYS A 13 -2.536 -17.406 4.058 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.895 -19.681 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.693 -18.478 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.789 -20.151 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.181 -18.978 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.393 -19.563 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.377 -21.749 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.894 -21.134 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.336 -21.447 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.586 -22.674 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.294 -21.605 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.175 -20.470 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.503 -20.180 7.278 1.00 0.00 H new ATOM 173 N SER A 14 -5.393 -17.647 2.038 1.00 0.00 N ATOM 174 CA SER A 14 -6.520 -17.418 1.142 1.00 0.00 C ATOM 175 C SER A 14 -6.785 -15.925 0.973 1.00 0.00 C ATOM 176 O SER A 14 -7.238 -15.254 1.901 1.00 0.00 O ATOM 177 CB SER A 14 -7.774 -18.112 1.678 1.00 0.00 C ATOM 178 OG SER A 14 -7.803 -19.477 1.298 1.00 0.00 O ATOM 0 H SER A 14 -5.162 -16.854 2.636 1.00 0.00 H new ATOM 0 HA SER A 14 -6.269 -17.838 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.801 -18.033 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.663 -17.607 1.300 1.00 0.00 H new ATOM 0 HG SER A 14 -6.893 -19.779 1.094 1.00 0.00 H new ATOM 184 N ARG A 15 -6.498 -15.411 -0.219 1.00 0.00 N ATOM 185 CA ARG A 15 -6.703 -13.997 -0.510 1.00 0.00 C ATOM 186 C ARG A 15 -7.949 -13.471 0.196 1.00 0.00 C ATOM 187 O ARG A 15 -7.952 -12.361 0.727 1.00 0.00 O ATOM 188 CB ARG A 15 -6.828 -13.779 -2.019 1.00 0.00 C ATOM 189 CG ARG A 15 -5.590 -14.192 -2.799 1.00 0.00 C ATOM 190 CD ARG A 15 -5.549 -13.532 -4.169 1.00 0.00 C ATOM 191 NE ARG A 15 -4.828 -14.343 -5.146 1.00 0.00 N ATOM 192 CZ ARG A 15 -3.518 -14.560 -5.098 1.00 0.00 C ATOM 193 NH1 ARG A 15 -2.790 -14.029 -4.125 1.00 0.00 N ATOM 194 NH2 ARG A 15 -2.934 -15.310 -6.024 1.00 0.00 N ATOM 0 H ARG A 15 -6.123 -15.952 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.838 -13.446 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.685 -14.342 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.032 -12.725 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.697 -13.921 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.577 -15.276 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.567 -13.362 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.073 -12.555 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.359 -14.766 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.236 -13.452 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.785 -14.197 -4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.491 -15.721 -6.774 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.928 -15.476 -5.986 1.00 0.00 H new ATOM 208 N ARG A 16 -9.006 -14.276 0.196 1.00 0.00 N ATOM 209 CA ARG A 16 -10.259 -13.892 0.835 1.00 0.00 C ATOM 210 C ARG A 16 -9.998 -13.062 2.089 1.00 0.00 C ATOM 211 O ARG A 16 -10.644 -12.039 2.313 1.00 0.00 O ATOM 212 CB ARG A 16 -11.076 -15.135 1.193 1.00 0.00 C ATOM 213 CG ARG A 16 -12.575 -14.888 1.231 1.00 0.00 C ATOM 214 CD ARG A 16 -13.200 -15.042 -0.147 1.00 0.00 C ATOM 215 NE ARG A 16 -14.598 -15.457 -0.071 1.00 0.00 N ATOM 216 CZ ARG A 16 -14.983 -16.719 0.077 1.00 0.00 C ATOM 217 NH1 ARG A 16 -14.079 -17.685 0.166 1.00 0.00 N ATOM 218 NH2 ARG A 16 -16.274 -17.018 0.138 1.00 0.00 N ATOM 0 H ARG A 16 -9.020 -15.198 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.826 -13.284 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.864 -15.920 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.752 -15.504 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.043 -15.587 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.770 -13.885 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.132 -14.096 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.635 -15.776 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.318 -14.738 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.085 -17.459 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.377 -18.654 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.973 -16.278 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.568 -17.988 0.252 1.00 0.00 H new ATOM 232 N ARG A 17 -9.048 -13.512 2.902 1.00 0.00 N ATOM 233 CA ARG A 17 -8.703 -12.813 4.134 1.00 0.00 C ATOM 234 C ARG A 17 -7.371 -12.082 3.989 1.00 0.00 C ATOM 235 O ARG A 17 -6.507 -12.492 3.214 1.00 0.00 O ATOM 236 CB ARG A 17 -8.632 -13.798 5.302 1.00 0.00 C ATOM 237 CG ARG A 17 -9.933 -14.544 5.549 1.00 0.00 C ATOM 238 CD ARG A 17 -9.936 -15.224 6.909 1.00 0.00 C ATOM 239 NE ARG A 17 -8.958 -16.306 6.982 1.00 0.00 N ATOM 240 CZ ARG A 17 -9.200 -17.545 6.570 1.00 0.00 C ATOM 241 NH1 ARG A 17 -10.383 -17.857 6.057 1.00 0.00 N ATOM 242 NH2 ARG A 17 -8.259 -18.475 6.669 1.00 0.00 N ATOM 0 H ARG A 17 -8.504 -14.357 2.730 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.482 -12.077 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.839 -14.521 5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.356 -13.256 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.770 -13.848 5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.080 -15.290 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.720 -14.487 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.931 -15.620 7.114 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.038 -16.099 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.109 -17.145 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.567 -18.809 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.348 -18.239 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.447 -19.426 6.352 1.00 0.00 H new ATOM 256 N CYS A 18 -7.213 -10.998 4.740 1.00 0.00 N ATOM 257 CA CYS A 18 -5.988 -10.209 4.696 1.00 0.00 C ATOM 258 C CYS A 18 -4.758 -11.106 4.804 1.00 0.00 C ATOM 259 O CYS A 18 -4.857 -12.268 5.200 1.00 0.00 O ATOM 260 CB CYS A 18 -5.980 -9.177 5.826 1.00 0.00 C ATOM 261 SG CYS A 18 -4.670 -7.920 5.676 1.00 0.00 S ATOM 0 H CYS A 18 -7.918 -10.645 5.387 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.955 -9.690 3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.948 -8.676 5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.863 -9.696 6.777 1.00 0.00 H new ATOM 266 N PHE A 19 -3.600 -10.559 4.450 1.00 0.00 N ATOM 267 CA PHE A 19 -2.351 -11.310 4.506 1.00 0.00 C ATOM 268 C PHE A 19 -1.513 -10.883 5.707 1.00 0.00 C ATOM 269 O PHE A 19 -0.444 -11.437 5.959 1.00 0.00 O ATOM 270 CB PHE A 19 -1.553 -11.109 3.216 1.00 0.00 C ATOM 271 CG PHE A 19 -0.065 -11.145 3.420 1.00 0.00 C ATOM 272 CD1 PHE A 19 0.585 -10.099 4.056 1.00 0.00 C ATOM 273 CD2 PHE A 19 0.683 -12.223 2.977 1.00 0.00 C ATOM 274 CE1 PHE A 19 1.954 -10.129 4.245 1.00 0.00 C ATOM 275 CE2 PHE A 19 2.052 -12.259 3.163 1.00 0.00 C ATOM 276 CZ PHE A 19 2.688 -11.210 3.799 1.00 0.00 C ATOM 0 H PHE A 19 -3.500 -9.599 4.121 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.596 -12.367 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.833 -11.883 2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.828 -10.152 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.016 -9.251 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.190 -13.046 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.449 -9.307 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.624 -13.105 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.758 -11.236 3.947 1.00 0.00 H new ATOM 286 N GLN A 20 -2.008 -9.893 6.444 1.00 0.00 N ATOM 287 CA GLN A 20 -1.305 -9.391 7.619 1.00 0.00 C ATOM 288 C GLN A 20 -2.094 -9.681 8.891 1.00 0.00 C ATOM 289 O GLN A 20 -1.529 -10.095 9.904 1.00 0.00 O ATOM 290 CB GLN A 20 -1.060 -7.887 7.488 1.00 0.00 C ATOM 291 CG GLN A 20 0.167 -7.402 8.243 1.00 0.00 C ATOM 292 CD GLN A 20 0.835 -6.218 7.573 1.00 0.00 C ATOM 293 OE1 GLN A 20 0.285 -5.623 6.645 1.00 0.00 O ATOM 294 NE2 GLN A 20 2.027 -5.868 8.041 1.00 0.00 N ATOM 0 H GLN A 20 -2.892 -9.423 6.248 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.346 -9.904 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.950 -7.636 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.936 -7.351 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.121 -7.126 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.884 -8.219 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.445 -6.389 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.524 -5.078 7.630 1.00 0.00 H new ATOM 303 N CYS A 21 -3.403 -9.460 8.833 1.00 0.00 N ATOM 304 CA CYS A 21 -4.270 -9.696 9.981 1.00 0.00 C ATOM 305 C CYS A 21 -5.190 -10.888 9.731 1.00 0.00 C ATOM 306 O CYS A 21 -5.826 -11.397 10.653 1.00 0.00 O ATOM 307 CB CYS A 21 -5.104 -8.449 10.281 1.00 0.00 C ATOM 308 SG CYS A 21 -6.243 -7.975 8.941 1.00 0.00 S ATOM 0 H CYS A 21 -3.887 -9.118 8.003 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.640 -9.919 10.842 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.681 -8.621 11.190 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.431 -7.615 10.483 1.00 0.00 H new ATOM 313 N GLN A 22 -5.253 -11.328 8.478 1.00 0.00 N ATOM 314 CA GLN A 22 -6.095 -12.459 8.108 1.00 0.00 C ATOM 315 C GLN A 22 -7.557 -12.182 8.441 1.00 0.00 C ATOM 316 O GLN A 22 -8.265 -13.053 8.948 1.00 0.00 O ATOM 317 CB GLN A 22 -5.626 -13.726 8.825 1.00 0.00 C ATOM 318 CG GLN A 22 -4.123 -13.941 8.762 1.00 0.00 C ATOM 319 CD GLN A 22 -3.657 -14.405 7.396 1.00 0.00 C ATOM 320 OE1 GLN A 22 -2.889 -13.563 6.714 1.00 0.00 O flip ATOM 321 NE2 GLN A 22 -3.983 -15.509 6.958 1.00 0.00 N flip ATOM 0 H GLN A 22 -4.731 -10.919 7.703 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.010 -12.607 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.934 -13.677 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.127 -14.589 8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.616 -13.011 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.834 -14.679 9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.575 -16.125 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.661 -15.808 6.037 1.00 0.00 H new ATOM 330 N THR A 23 -8.004 -10.964 8.155 1.00 0.00 N ATOM 331 CA THR A 23 -9.381 -10.571 8.426 1.00 0.00 C ATOM 332 C THR A 23 -10.276 -10.839 7.221 1.00 0.00 C ATOM 333 O THR A 23 -9.860 -10.667 6.075 1.00 0.00 O ATOM 334 CB THR A 23 -9.477 -9.081 8.801 1.00 0.00 C ATOM 335 OG1 THR A 23 -10.726 -8.819 9.452 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.349 -8.202 7.566 1.00 0.00 C ATOM 0 H THR A 23 -7.432 -10.231 7.735 1.00 0.00 H new ATOM 0 HA THR A 23 -9.721 -11.172 9.269 1.00 0.00 H new ATOM 0 HB THR A 23 -8.657 -8.847 9.480 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.779 -7.870 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.420 -7.154 7.856 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.385 -8.382 7.090 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.150 -8.439 6.866 1.00 0.00 H new ATOM 344 N LYS A 24 -11.508 -11.260 7.487 1.00 0.00 N ATOM 345 CA LYS A 24 -12.464 -11.550 6.425 1.00 0.00 C ATOM 346 C LYS A 24 -12.701 -10.320 5.555 1.00 0.00 C ATOM 347 O LYS A 24 -13.152 -9.282 6.040 1.00 0.00 O ATOM 348 CB LYS A 24 -13.790 -12.029 7.021 1.00 0.00 C ATOM 349 CG LYS A 24 -14.483 -10.985 7.880 1.00 0.00 C ATOM 350 CD LYS A 24 -15.576 -11.603 8.735 1.00 0.00 C ATOM 351 CE LYS A 24 -14.993 -12.395 9.897 1.00 0.00 C ATOM 352 NZ LYS A 24 -16.016 -12.684 10.939 1.00 0.00 N ATOM 0 H LYS A 24 -11.868 -11.408 8.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.046 -12.340 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.458 -12.323 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.608 -12.920 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.750 -10.496 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.912 -10.213 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.227 -10.818 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.194 -12.258 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.578 -13.332 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.170 -11.835 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.580 -13.225 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.394 -11.790 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.789 -13.240 10.521 1.00 0.00 H new ATOM 366 N LEU A 25 -12.394 -10.443 4.268 1.00 0.00 N ATOM 367 CA LEU A 25 -12.575 -9.341 3.330 1.00 0.00 C ATOM 368 C LEU A 25 -13.806 -9.565 2.457 1.00 0.00 C ATOM 369 O LEU A 25 -13.964 -10.624 1.852 1.00 0.00 O ATOM 370 CB LEU A 25 -11.333 -9.185 2.450 1.00 0.00 C ATOM 371 CG LEU A 25 -9.992 -9.139 3.183 1.00 0.00 C ATOM 372 CD1 LEU A 25 -8.870 -9.617 2.275 1.00 0.00 C ATOM 373 CD2 LEU A 25 -9.709 -7.732 3.689 1.00 0.00 C ATOM 0 H LEU A 25 -12.019 -11.295 3.851 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.722 -8.427 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.308 -10.013 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.438 -8.269 1.868 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.046 -9.808 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.924 -9.577 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.067 -10.643 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.814 -8.974 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.751 -7.718 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.675 -7.042 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.498 -7.427 4.376 1.00 0.00 H new ATOM 385 N GLU A 26 -14.673 -8.560 2.397 1.00 0.00 N ATOM 386 CA GLU A 26 -15.889 -8.648 1.597 1.00 0.00 C ATOM 387 C GLU A 26 -15.606 -8.303 0.137 1.00 0.00 C ATOM 388 O GLU A 26 -14.599 -7.668 -0.179 1.00 0.00 O ATOM 389 CB GLU A 26 -16.962 -7.710 2.155 1.00 0.00 C ATOM 390 CG GLU A 26 -17.232 -7.908 3.637 1.00 0.00 C ATOM 391 CD GLU A 26 -17.977 -9.197 3.927 1.00 0.00 C ATOM 392 OE1 GLU A 26 -17.549 -10.256 3.421 1.00 0.00 O ATOM 393 OE2 GLU A 26 -18.988 -9.147 4.659 1.00 0.00 O ATOM 0 H GLU A 26 -14.556 -7.676 2.892 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.252 -9.675 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.655 -6.678 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.889 -7.862 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.286 -7.910 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.812 -7.065 4.013 1.00 0.00 H new ATOM 400 N LEU A 27 -16.501 -8.726 -0.748 1.00 0.00 N ATOM 401 CA LEU A 27 -16.349 -8.464 -2.175 1.00 0.00 C ATOM 402 C LEU A 27 -15.717 -7.096 -2.413 1.00 0.00 C ATOM 403 O LEU A 27 -14.897 -6.927 -3.315 1.00 0.00 O ATOM 404 CB LEU A 27 -17.706 -8.540 -2.876 1.00 0.00 C ATOM 405 CG LEU A 27 -18.122 -9.920 -3.385 1.00 0.00 C ATOM 406 CD1 LEU A 27 -17.132 -10.427 -4.422 1.00 0.00 C ATOM 407 CD2 LEU A 27 -18.237 -10.903 -2.229 1.00 0.00 C ATOM 0 H LEU A 27 -17.340 -9.252 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.690 -9.226 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -18.470 -8.184 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.695 -7.851 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 27 -19.100 -9.832 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.444 -11.411 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.100 -9.735 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.141 -10.500 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.534 -11.880 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.274 -10.987 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -18.986 -10.547 -1.522 1.00 0.00 H new ATOM 419 N VAL A 28 -16.103 -6.121 -1.595 1.00 0.00 N ATOM 420 CA VAL A 28 -15.573 -4.769 -1.714 1.00 0.00 C ATOM 421 C VAL A 28 -14.064 -4.749 -1.496 1.00 0.00 C ATOM 422 O VAL A 28 -13.301 -4.423 -2.405 1.00 0.00 O ATOM 423 CB VAL A 28 -16.238 -3.814 -0.705 1.00 0.00 C ATOM 424 CG1 VAL A 28 -15.620 -2.427 -0.794 1.00 0.00 C ATOM 425 CG2 VAL A 28 -17.740 -3.754 -0.940 1.00 0.00 C ATOM 0 H VAL A 28 -16.781 -6.243 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.796 -4.430 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.065 -4.198 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.103 -1.767 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.555 -2.489 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.759 -2.031 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -18.194 -3.075 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.936 -3.395 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.167 -4.750 -0.820 1.00 0.00 H new ATOM 435 N GLN A 29 -13.641 -5.100 -0.286 1.00 0.00 N ATOM 436 CA GLN A 29 -12.223 -5.123 0.050 1.00 0.00 C ATOM 437 C GLN A 29 -11.457 -6.057 -0.880 1.00 0.00 C ATOM 438 O GLN A 29 -10.527 -5.637 -1.568 1.00 0.00 O ATOM 439 CB GLN A 29 -12.029 -5.560 1.503 1.00 0.00 C ATOM 440 CG GLN A 29 -12.482 -4.521 2.517 1.00 0.00 C ATOM 441 CD GLN A 29 -11.916 -3.144 2.234 1.00 0.00 C ATOM 442 OE1 GLN A 29 -10.592 -3.039 2.218 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -12.660 -2.184 2.032 1.00 0.00 N flip ATOM 0 H GLN A 29 -14.260 -5.372 0.478 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.830 -4.114 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.580 -6.485 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.975 -5.782 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.571 -4.469 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.178 -4.836 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.672 -2.310 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.264 -1.263 1.843 1.00 0.00 H new ATOM 452 N GLN A 30 -11.855 -7.325 -0.897 1.00 0.00 N ATOM 453 CA GLN A 30 -11.205 -8.319 -1.743 1.00 0.00 C ATOM 454 C GLN A 30 -10.682 -7.682 -3.026 1.00 0.00 C ATOM 455 O GLN A 30 -9.581 -7.992 -3.479 1.00 0.00 O ATOM 456 CB GLN A 30 -12.179 -9.449 -2.080 1.00 0.00 C ATOM 457 CG GLN A 30 -12.550 -10.309 -0.883 1.00 0.00 C ATOM 458 CD GLN A 30 -13.753 -11.193 -1.150 1.00 0.00 C ATOM 459 OE1 GLN A 30 -14.342 -11.150 -2.230 1.00 0.00 O ATOM 460 NE2 GLN A 30 -14.124 -12.002 -0.164 1.00 0.00 N ATOM 0 H GLN A 30 -12.624 -7.688 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.359 -8.731 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.087 -9.020 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.736 -10.082 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.699 -10.933 -0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.759 -9.665 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.607 -12.005 0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.926 -12.620 -0.286 1.00 0.00 H new ATOM 469 N GLU A 31 -11.480 -6.792 -3.607 1.00 0.00 N ATOM 470 CA GLU A 31 -11.097 -6.114 -4.840 1.00 0.00 C ATOM 471 C GLU A 31 -10.328 -4.831 -4.538 1.00 0.00 C ATOM 472 O GLU A 31 -9.291 -4.557 -5.145 1.00 0.00 O ATOM 473 CB GLU A 31 -12.337 -5.793 -5.678 1.00 0.00 C ATOM 474 CG GLU A 31 -13.033 -7.025 -6.231 1.00 0.00 C ATOM 475 CD GLU A 31 -12.438 -7.491 -7.546 1.00 0.00 C ATOM 476 OE1 GLU A 31 -11.221 -7.301 -7.748 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.191 -8.046 -8.373 1.00 0.00 O ATOM 0 H GLU A 31 -12.395 -6.524 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.448 -6.782 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.043 -5.231 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.048 -5.147 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.969 -7.832 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.092 -6.807 -6.373 1.00 0.00 H new ATOM 484 N LEU A 32 -10.843 -4.046 -3.598 1.00 0.00 N ATOM 485 CA LEU A 32 -10.206 -2.791 -3.215 1.00 0.00 C ATOM 486 C LEU A 32 -8.894 -3.048 -2.481 1.00 0.00 C ATOM 487 O LEU A 32 -7.828 -2.631 -2.931 1.00 0.00 O ATOM 488 CB LEU A 32 -11.146 -1.969 -2.331 1.00 0.00 C ATOM 489 CG LEU A 32 -12.065 -0.988 -3.058 1.00 0.00 C ATOM 490 CD1 LEU A 32 -12.958 -1.725 -4.045 1.00 0.00 C ATOM 491 CD2 LEU A 32 -12.904 -0.203 -2.061 1.00 0.00 C ATOM 0 H LEU A 32 -11.700 -4.257 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.988 -2.230 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.765 -2.657 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.543 -1.409 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.446 -0.284 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.606 -1.011 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.340 -2.241 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.569 -2.452 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.552 0.490 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.514 -0.892 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.248 0.356 -1.394 1.00 0.00 H new ATOM 503 N GLY A 33 -8.980 -3.740 -1.349 1.00 0.00 N ATOM 504 CA GLY A 33 -7.792 -4.043 -0.572 1.00 0.00 C ATOM 505 C GLY A 33 -6.688 -4.651 -1.415 1.00 0.00 C ATOM 506 O GLY A 33 -5.509 -4.372 -1.199 1.00 0.00 O ATOM 0 H GLY A 33 -9.851 -4.096 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.426 -3.130 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.053 -4.732 0.231 1.00 0.00 H new ATOM 510 N SER A 34 -7.071 -5.485 -2.376 1.00 0.00 N ATOM 511 CA SER A 34 -6.104 -6.139 -3.250 1.00 0.00 C ATOM 512 C SER A 34 -4.954 -5.196 -3.589 1.00 0.00 C ATOM 513 O SER A 34 -5.107 -3.974 -3.558 1.00 0.00 O ATOM 514 CB SER A 34 -6.785 -6.614 -4.535 1.00 0.00 C ATOM 515 OG SER A 34 -7.003 -5.533 -5.426 1.00 0.00 O ATOM 0 H SER A 34 -8.044 -5.724 -2.569 1.00 0.00 H new ATOM 0 HA SER A 34 -5.700 -7.002 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.167 -7.370 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.737 -7.087 -4.293 1.00 0.00 H new ATOM 0 HG SER A 34 -7.963 -5.341 -5.479 1.00 0.00 H new ATOM 521 N CYS A 35 -3.801 -5.771 -3.915 1.00 0.00 N ATOM 522 CA CYS A 35 -2.623 -4.984 -4.260 1.00 0.00 C ATOM 523 C CYS A 35 -2.024 -5.454 -5.582 1.00 0.00 C ATOM 524 O CYS A 35 -2.513 -6.403 -6.195 1.00 0.00 O ATOM 525 CB CYS A 35 -1.576 -5.082 -3.149 1.00 0.00 C ATOM 526 SG CYS A 35 -0.490 -3.625 -3.022 1.00 0.00 S ATOM 0 H CYS A 35 -3.657 -6.780 -3.947 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.930 -3.944 -4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.085 -5.227 -2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.962 -5.966 -3.320 1.00 0.00 H new ATOM 531 N ARG A 36 -0.963 -4.782 -6.016 1.00 0.00 N ATOM 532 CA ARG A 36 -0.297 -5.129 -7.266 1.00 0.00 C ATOM 533 C ARG A 36 0.790 -6.174 -7.031 1.00 0.00 C ATOM 534 O ARG A 36 1.017 -7.048 -7.868 1.00 0.00 O ATOM 535 CB ARG A 36 0.311 -3.881 -7.909 1.00 0.00 C ATOM 536 CG ARG A 36 -0.570 -2.647 -7.796 1.00 0.00 C ATOM 537 CD ARG A 36 -0.180 -1.589 -8.817 1.00 0.00 C ATOM 538 NE ARG A 36 -0.748 -1.863 -10.134 1.00 0.00 N ATOM 539 CZ ARG A 36 -0.848 -0.952 -11.095 1.00 0.00 C ATOM 540 NH1 ARG A 36 -0.421 0.286 -10.886 1.00 0.00 N ATOM 541 NH2 ARG A 36 -1.377 -1.278 -12.267 1.00 0.00 N ATOM 0 H ARG A 36 -0.546 -3.994 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.042 -5.550 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.274 -3.674 -7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.505 -4.083 -8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.613 -2.928 -7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.490 -2.232 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.518 -0.611 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.906 -1.542 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.086 -2.806 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.015 0.540 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.499 0.984 -11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.707 -2.229 -12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.453 -0.578 -13.005 1.00 0.00 H new ATOM 555 N CYS A 37 1.459 -6.077 -5.887 1.00 0.00 N ATOM 556 CA CYS A 37 2.522 -7.013 -5.541 1.00 0.00 C ATOM 557 C CYS A 37 2.059 -8.455 -5.724 1.00 0.00 C ATOM 558 O CYS A 37 2.803 -9.299 -6.221 1.00 0.00 O ATOM 559 CB CYS A 37 2.975 -6.791 -4.097 1.00 0.00 C ATOM 560 SG CYS A 37 1.617 -6.788 -2.883 1.00 0.00 S ATOM 0 H CYS A 37 1.284 -5.359 -5.184 1.00 0.00 H new ATOM 0 HA CYS A 37 3.363 -6.832 -6.211 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.687 -7.571 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.505 -5.840 -4.036 1.00 0.00 H new ATOM 565 N GLY A 38 0.822 -8.730 -5.319 1.00 0.00 N ATOM 566 CA GLY A 38 0.281 -10.070 -5.447 1.00 0.00 C ATOM 567 C GLY A 38 -0.353 -10.564 -4.161 1.00 0.00 C ATOM 568 O GLY A 38 -0.498 -11.770 -3.956 1.00 0.00 O ATOM 0 H GLY A 38 0.186 -8.049 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.463 -10.084 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.077 -10.753 -5.742 1.00 0.00 H new ATOM 572 N TYR A 39 -0.730 -9.632 -3.293 1.00 0.00 N ATOM 573 CA TYR A 39 -1.348 -9.979 -2.019 1.00 0.00 C ATOM 574 C TYR A 39 -2.551 -9.085 -1.735 1.00 0.00 C ATOM 575 O TYR A 39 -2.578 -7.919 -2.128 1.00 0.00 O ATOM 576 CB TYR A 39 -0.329 -9.858 -0.885 1.00 0.00 C ATOM 577 CG TYR A 39 0.707 -10.959 -0.881 1.00 0.00 C ATOM 578 CD1 TYR A 39 1.827 -10.890 -1.701 1.00 0.00 C ATOM 579 CD2 TYR A 39 0.568 -12.069 -0.056 1.00 0.00 C ATOM 580 CE1 TYR A 39 2.775 -11.894 -1.702 1.00 0.00 C ATOM 581 CE2 TYR A 39 1.512 -13.077 -0.049 1.00 0.00 C ATOM 582 CZ TYR A 39 2.614 -12.985 -0.874 1.00 0.00 C ATOM 583 OH TYR A 39 3.558 -13.987 -0.871 1.00 0.00 O ATOM 0 H TYR A 39 -0.618 -8.630 -3.448 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.693 -11.011 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.176 -8.895 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.857 -9.864 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.958 -10.036 -2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.293 -12.145 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.638 -11.825 -2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.388 -13.932 0.599 1.00 0.00 H new ATOM 0 HH TYR A 39 3.296 -14.682 -0.231 1.00 0.00 H new ATOM 593 N VAL A 40 -3.544 -9.641 -1.049 1.00 0.00 N ATOM 594 CA VAL A 40 -4.750 -8.895 -0.710 1.00 0.00 C ATOM 595 C VAL A 40 -4.802 -8.583 0.782 1.00 0.00 C ATOM 596 O VAL A 40 -4.657 -9.474 1.619 1.00 0.00 O ATOM 597 CB VAL A 40 -6.020 -9.671 -1.105 1.00 0.00 C ATOM 598 CG1 VAL A 40 -7.266 -8.908 -0.682 1.00 0.00 C ATOM 599 CG2 VAL A 40 -6.033 -9.944 -2.601 1.00 0.00 C ATOM 0 H VAL A 40 -3.537 -10.605 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.714 -7.962 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.017 -10.629 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.153 -9.472 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.259 -8.770 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.280 -7.934 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.937 -10.493 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.013 -8.999 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.158 -10.536 -2.870 1.00 0.00 H new ATOM 609 N PHE A 41 -5.010 -7.311 1.108 1.00 0.00 N ATOM 610 CA PHE A 41 -5.080 -6.881 2.499 1.00 0.00 C ATOM 611 C PHE A 41 -6.388 -6.144 2.775 1.00 0.00 C ATOM 612 O PHE A 41 -7.170 -5.880 1.860 1.00 0.00 O ATOM 613 CB PHE A 41 -3.892 -5.978 2.836 1.00 0.00 C ATOM 614 CG PHE A 41 -2.617 -6.386 2.156 1.00 0.00 C ATOM 615 CD1 PHE A 41 -2.319 -5.930 0.882 1.00 0.00 C ATOM 616 CD2 PHE A 41 -1.716 -7.226 2.791 1.00 0.00 C ATOM 617 CE1 PHE A 41 -1.146 -6.304 0.254 1.00 0.00 C ATOM 618 CE2 PHE A 41 -0.541 -7.603 2.168 1.00 0.00 C ATOM 619 CZ PHE A 41 -0.256 -7.142 0.897 1.00 0.00 C ATOM 0 H PHE A 41 -5.133 -6.561 0.428 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.043 -7.769 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.133 -4.953 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.737 -5.983 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.011 -5.275 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.934 -7.590 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.925 -5.941 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.153 -8.257 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.661 -7.436 0.407 1.00 0.00 H new ATOM 629 N CYS A 42 -6.619 -5.815 4.041 1.00 0.00 N ATOM 630 CA CYS A 42 -7.831 -5.110 4.439 1.00 0.00 C ATOM 631 C CYS A 42 -7.673 -3.604 4.248 1.00 0.00 C ATOM 632 O CYS A 42 -6.593 -3.122 3.907 1.00 0.00 O ATOM 633 CB CYS A 42 -8.168 -5.416 5.900 1.00 0.00 C ATOM 634 SG CYS A 42 -6.882 -4.903 7.083 1.00 0.00 S ATOM 0 H CYS A 42 -5.982 -6.026 4.810 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.647 -5.456 3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.103 -4.919 6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.337 -6.488 6.006 1.00 0.00 H new ATOM 639 N MET A 43 -8.756 -2.867 4.470 1.00 0.00 N ATOM 640 CA MET A 43 -8.737 -1.417 4.324 1.00 0.00 C ATOM 641 C MET A 43 -7.706 -0.790 5.257 1.00 0.00 C ATOM 642 O MET A 43 -7.354 0.382 5.112 1.00 0.00 O ATOM 643 CB MET A 43 -10.122 -0.835 4.611 1.00 0.00 C ATOM 644 CG MET A 43 -10.336 0.548 4.018 1.00 0.00 C ATOM 645 SD MET A 43 -11.508 1.537 4.966 1.00 0.00 S ATOM 646 CE MET A 43 -10.738 1.515 6.583 1.00 0.00 C ATOM 0 H MET A 43 -9.658 -3.251 4.752 1.00 0.00 H new ATOM 0 HA MET A 43 -8.460 -1.185 3.296 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.880 -1.512 4.216 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.270 -0.785 5.690 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.381 1.070 3.971 1.00 0.00 H new ATOM 0 HG3 MET A 43 -10.696 0.448 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.952 2.450 7.101 1.00 0.00 H new ATOM 0 HE2 MET A 43 -11.133 0.681 7.163 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.660 1.401 6.471 1.00 0.00 H new ATOM 656 N LEU A 44 -7.226 -1.576 6.214 1.00 0.00 N ATOM 657 CA LEU A 44 -6.234 -1.097 7.171 1.00 0.00 C ATOM 658 C LEU A 44 -4.820 -1.398 6.687 1.00 0.00 C ATOM 659 O LEU A 44 -3.907 -0.590 6.863 1.00 0.00 O ATOM 660 CB LEU A 44 -6.465 -1.742 8.539 1.00 0.00 C ATOM 661 CG LEU A 44 -7.877 -1.616 9.111 1.00 0.00 C ATOM 662 CD1 LEU A 44 -8.110 -2.658 10.194 1.00 0.00 C ATOM 663 CD2 LEU A 44 -8.107 -0.215 9.658 1.00 0.00 C ATOM 0 H LEU A 44 -7.507 -2.547 6.348 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.344 -0.016 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.218 -2.801 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.766 -1.300 9.249 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.591 -1.793 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.120 -2.552 10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.988 -3.655 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.389 -2.514 10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.117 -0.143 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.385 -0.010 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.984 0.513 8.856 1.00 0.00 H new ATOM 675 N HIS A 45 -4.645 -2.564 6.074 1.00 0.00 N ATOM 676 CA HIS A 45 -3.341 -2.970 5.560 1.00 0.00 C ATOM 677 C HIS A 45 -3.342 -2.997 4.035 1.00 0.00 C ATOM 678 O HIS A 45 -2.523 -3.677 3.416 1.00 0.00 O ATOM 679 CB HIS A 45 -2.961 -4.347 6.106 1.00 0.00 C ATOM 680 CG HIS A 45 -2.802 -4.378 7.595 1.00 0.00 C ATOM 681 ND1 HIS A 45 -3.459 -5.282 8.403 1.00 0.00 N ATOM 682 CD2 HIS A 45 -2.053 -3.611 8.421 1.00 0.00 C ATOM 683 CE1 HIS A 45 -3.122 -5.068 9.663 1.00 0.00 C ATOM 684 NE2 HIS A 45 -2.269 -4.060 9.701 1.00 0.00 N ATOM 0 H HIS A 45 -5.389 -3.245 5.921 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.604 -2.239 5.892 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.726 -5.068 5.815 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.028 -4.668 5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.406 -2.797 8.128 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.483 -5.623 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.840 -3.677 10.544 1.00 0.00 H new ATOM 692 N ARG A 46 -4.266 -2.253 3.435 1.00 0.00 N ATOM 693 CA ARG A 46 -4.375 -2.194 1.983 1.00 0.00 C ATOM 694 C ARG A 46 -3.240 -1.366 1.387 1.00 0.00 C ATOM 695 O ARG A 46 -2.789 -1.625 0.270 1.00 0.00 O ATOM 696 CB ARG A 46 -5.723 -1.598 1.575 1.00 0.00 C ATOM 697 CG ARG A 46 -6.001 -0.238 2.195 1.00 0.00 C ATOM 698 CD ARG A 46 -6.865 0.623 1.286 1.00 0.00 C ATOM 699 NE ARG A 46 -6.063 1.412 0.355 1.00 0.00 N ATOM 700 CZ ARG A 46 -6.555 1.981 -0.739 1.00 0.00 C ATOM 701 NH1 ARG A 46 -7.840 1.849 -1.038 1.00 0.00 N ATOM 702 NH2 ARG A 46 -5.762 2.684 -1.537 1.00 0.00 N ATOM 0 H ARG A 46 -4.950 -1.683 3.933 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.303 -3.211 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.756 -1.507 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.517 -2.288 1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.500 -0.370 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.058 0.272 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.549 -0.015 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.477 1.290 1.893 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.070 1.533 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.453 1.309 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.216 2.287 -1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.773 2.788 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.141 3.121 -2.377 1.00 0.00 H new ATOM 716 N LEU A 47 -2.782 -0.371 2.138 1.00 0.00 N ATOM 717 CA LEU A 47 -1.699 0.495 1.684 1.00 0.00 C ATOM 718 C LEU A 47 -0.393 -0.284 1.563 1.00 0.00 C ATOM 719 O LEU A 47 -0.170 -1.280 2.250 1.00 0.00 O ATOM 720 CB LEU A 47 -1.519 1.668 2.650 1.00 0.00 C ATOM 721 CG LEU A 47 -2.688 2.651 2.737 1.00 0.00 C ATOM 722 CD1 LEU A 47 -2.746 3.288 4.117 1.00 0.00 C ATOM 723 CD2 LEU A 47 -2.569 3.718 1.659 1.00 0.00 C ATOM 0 H LEU A 47 -3.143 -0.143 3.064 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.963 0.880 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.333 1.267 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.627 2.221 2.357 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.615 2.101 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.583 3.984 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.879 2.512 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.817 3.825 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.409 4.408 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.636 4.266 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.577 3.245 0.677 1.00 0.00 H new ATOM 735 N PRO A 48 0.492 0.182 0.669 1.00 0.00 N ATOM 736 CA PRO A 48 1.793 -0.455 0.438 1.00 0.00 C ATOM 737 C PRO A 48 2.742 -0.277 1.618 1.00 0.00 C ATOM 738 O PRO A 48 3.345 -1.240 2.091 1.00 0.00 O ATOM 739 CB PRO A 48 2.330 0.275 -0.795 1.00 0.00 C ATOM 740 CG PRO A 48 1.655 1.602 -0.775 1.00 0.00 C ATOM 741 CD PRO A 48 0.292 1.365 -0.184 1.00 0.00 C ATOM 0 HA PRO A 48 1.702 -1.533 0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.414 0.382 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.101 -0.272 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.220 2.318 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.578 2.016 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.051 2.224 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.455 1.182 -0.957 1.00 0.00 H new ATOM 749 N GLU A 49 2.870 0.960 2.089 1.00 0.00 N ATOM 750 CA GLU A 49 3.747 1.261 3.214 1.00 0.00 C ATOM 751 C GLU A 49 3.366 0.434 4.438 1.00 0.00 C ATOM 752 O GLU A 49 4.207 0.142 5.288 1.00 0.00 O ATOM 753 CB GLU A 49 3.684 2.752 3.553 1.00 0.00 C ATOM 754 CG GLU A 49 2.313 3.212 4.021 1.00 0.00 C ATOM 755 CD GLU A 49 2.336 4.611 4.607 1.00 0.00 C ATOM 756 OE1 GLU A 49 3.046 4.821 5.613 1.00 0.00 O ATOM 757 OE2 GLU A 49 1.644 5.494 4.060 1.00 0.00 O ATOM 0 H GLU A 49 2.378 1.769 1.709 1.00 0.00 H new ATOM 0 HA GLU A 49 4.766 1.003 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.416 2.971 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.971 3.329 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.619 3.185 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.936 2.515 4.769 1.00 0.00 H new ATOM 764 N GLN A 50 2.093 0.059 4.519 1.00 0.00 N ATOM 765 CA GLN A 50 1.601 -0.733 5.640 1.00 0.00 C ATOM 766 C GLN A 50 2.229 -2.123 5.641 1.00 0.00 C ATOM 767 O GLN A 50 2.627 -2.635 6.688 1.00 0.00 O ATOM 768 CB GLN A 50 0.077 -0.850 5.579 1.00 0.00 C ATOM 769 CG GLN A 50 -0.648 0.399 6.055 1.00 0.00 C ATOM 770 CD GLN A 50 -0.277 0.783 7.474 1.00 0.00 C ATOM 771 OE1 GLN A 50 -0.443 -0.004 8.406 1.00 0.00 O ATOM 772 NE2 GLN A 50 0.228 1.999 7.646 1.00 0.00 N ATOM 0 H GLN A 50 1.385 0.291 3.823 1.00 0.00 H new ATOM 0 HA GLN A 50 1.883 -0.225 6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.222 -1.065 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.239 -1.698 6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.415 1.227 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.724 0.235 5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.349 2.619 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.495 2.313 8.579 1.00 0.00 H new ATOM 781 N HIS A 51 2.315 -2.730 4.461 1.00 0.00 N ATOM 782 CA HIS A 51 2.895 -4.061 4.326 1.00 0.00 C ATOM 783 C HIS A 51 4.222 -4.002 3.575 1.00 0.00 C ATOM 784 O HIS A 51 4.570 -4.924 2.838 1.00 0.00 O ATOM 785 CB HIS A 51 1.925 -4.992 3.598 1.00 0.00 C ATOM 786 CG HIS A 51 1.592 -4.543 2.209 1.00 0.00 C ATOM 787 ND1 HIS A 51 0.460 -3.816 1.903 1.00 0.00 N ATOM 788 CD2 HIS A 51 2.251 -4.719 1.040 1.00 0.00 C ATOM 789 CE1 HIS A 51 0.437 -3.567 0.606 1.00 0.00 C ATOM 790 NE2 HIS A 51 1.512 -4.104 0.059 1.00 0.00 N ATOM 0 H HIS A 51 1.990 -2.321 3.585 1.00 0.00 H new ATOM 0 HA HIS A 51 3.081 -4.452 5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.358 -5.991 3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 51 1.004 -5.068 4.177 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.248 -3.517 2.573 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.184 -5.245 0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.331 -3.017 0.082 1.00 0.00 H new ATOM 798 N ASP A 52 4.956 -2.912 3.767 1.00 0.00 N ATOM 799 CA ASP A 52 6.245 -2.732 3.108 1.00 0.00 C ATOM 800 C ASP A 52 6.231 -3.346 1.711 1.00 0.00 C ATOM 801 O ASP A 52 7.145 -4.079 1.334 1.00 0.00 O ATOM 802 CB ASP A 52 7.361 -3.361 3.943 1.00 0.00 C ATOM 803 CG ASP A 52 8.741 -2.996 3.433 1.00 0.00 C ATOM 804 OD1 ASP A 52 9.085 -1.796 3.460 1.00 0.00 O ATOM 805 OD2 ASP A 52 9.477 -3.911 3.007 1.00 0.00 O ATOM 0 H ASP A 52 4.681 -2.139 4.373 1.00 0.00 H new ATOM 0 HA ASP A 52 6.431 -1.662 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.262 -3.037 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.249 -4.445 3.936 1.00 0.00 H new ATOM 810 N CYS A 53 5.186 -3.042 0.947 1.00 0.00 N ATOM 811 CA CYS A 53 5.051 -3.564 -0.407 1.00 0.00 C ATOM 812 C CYS A 53 6.400 -3.579 -1.121 1.00 0.00 C ATOM 813 O CYS A 53 7.205 -2.659 -0.972 1.00 0.00 O ATOM 814 CB CYS A 53 4.051 -2.723 -1.203 1.00 0.00 C ATOM 815 SG CYS A 53 3.499 -3.497 -2.757 1.00 0.00 S ATOM 0 H CYS A 53 4.421 -2.437 1.244 1.00 0.00 H new ATOM 0 HA CYS A 53 4.683 -4.588 -0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.180 -2.526 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.504 -1.758 -1.431 1.00 0.00 H new ATOM 820 N THR A 54 6.640 -4.631 -1.899 1.00 0.00 N ATOM 821 CA THR A 54 7.890 -4.767 -2.635 1.00 0.00 C ATOM 822 C THR A 54 7.806 -4.080 -3.993 1.00 0.00 C ATOM 823 O THR A 54 8.823 -3.689 -4.566 1.00 0.00 O ATOM 824 CB THR A 54 8.260 -6.248 -2.844 1.00 0.00 C ATOM 825 OG1 THR A 54 9.461 -6.349 -3.616 1.00 0.00 O ATOM 826 CG2 THR A 54 7.135 -6.993 -3.547 1.00 0.00 C ATOM 0 H THR A 54 5.985 -5.401 -2.035 1.00 0.00 H new ATOM 0 HA THR A 54 8.664 -4.287 -2.035 1.00 0.00 H new ATOM 0 HB THR A 54 8.419 -6.701 -1.865 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.690 -7.293 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.419 -8.036 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.230 -6.940 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.949 -6.537 -4.520 1.00 0.00 H new ATOM 834 N PHE A 55 6.587 -3.935 -4.503 1.00 0.00 N ATOM 835 CA PHE A 55 6.371 -3.295 -5.795 1.00 0.00 C ATOM 836 C PHE A 55 6.862 -1.850 -5.775 1.00 0.00 C ATOM 837 O PHE A 55 6.958 -1.230 -4.716 1.00 0.00 O ATOM 838 CB PHE A 55 4.887 -3.336 -6.167 1.00 0.00 C ATOM 839 CG PHE A 55 4.639 -3.331 -7.648 1.00 0.00 C ATOM 840 CD1 PHE A 55 4.979 -4.428 -8.424 1.00 0.00 C ATOM 841 CD2 PHE A 55 4.067 -2.231 -8.265 1.00 0.00 C ATOM 842 CE1 PHE A 55 4.753 -4.426 -9.787 1.00 0.00 C ATOM 843 CE2 PHE A 55 3.837 -2.224 -9.628 1.00 0.00 C ATOM 844 CZ PHE A 55 4.180 -3.323 -10.390 1.00 0.00 C ATOM 0 H PHE A 55 5.734 -4.252 -4.041 1.00 0.00 H new ATOM 0 HA PHE A 55 6.942 -3.844 -6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.437 -4.230 -5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.385 -2.478 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.426 -5.294 -7.958 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.797 -1.368 -7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.024 -5.286 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.389 -1.360 -10.096 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.001 -3.320 -11.455 1.00 0.00 H new ATOM 854 N ASP A 56 7.172 -1.321 -6.954 1.00 0.00 N ATOM 855 CA ASP A 56 7.653 0.051 -7.073 1.00 0.00 C ATOM 856 C ASP A 56 6.604 0.939 -7.735 1.00 0.00 C ATOM 857 O ASP A 56 6.294 0.778 -8.916 1.00 0.00 O ATOM 858 CB ASP A 56 8.953 0.090 -7.878 1.00 0.00 C ATOM 859 CG ASP A 56 10.138 -0.429 -7.088 1.00 0.00 C ATOM 860 OD1 ASP A 56 9.920 -1.185 -6.118 1.00 0.00 O ATOM 861 OD2 ASP A 56 11.285 -0.080 -7.440 1.00 0.00 O ATOM 0 H ASP A 56 7.099 -1.821 -7.840 1.00 0.00 H new ATOM 0 HA ASP A 56 7.844 0.431 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.835 -0.505 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.151 1.114 -8.194 1.00 0.00 H new ATOM 866 N HIS A 57 6.059 1.876 -6.966 1.00 0.00 N ATOM 867 CA HIS A 57 5.043 2.790 -7.477 1.00 0.00 C ATOM 868 C HIS A 57 5.688 3.994 -8.156 1.00 0.00 C ATOM 869 O HIS A 57 5.197 4.482 -9.173 1.00 0.00 O ATOM 870 CB HIS A 57 4.130 3.257 -6.344 1.00 0.00 C ATOM 871 CG HIS A 57 3.231 2.182 -5.817 1.00 0.00 C ATOM 872 ND1 HIS A 57 2.059 1.808 -6.440 1.00 0.00 N ATOM 873 CD2 HIS A 57 3.338 1.397 -4.719 1.00 0.00 C ATOM 874 CE1 HIS A 57 1.483 0.841 -5.748 1.00 0.00 C ATOM 875 NE2 HIS A 57 2.240 0.573 -4.698 1.00 0.00 N ATOM 0 H HIS A 57 6.304 2.023 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 57 4.447 2.255 -8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.744 3.638 -5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.520 4.088 -6.699 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.138 1.416 -3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.553 0.353 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.041 -0.131 -3.988 1.00 0.00 H new ATOM 883 N MET A 58 6.791 4.468 -7.586 1.00 0.00 N ATOM 884 CA MET A 58 7.504 5.615 -8.137 1.00 0.00 C ATOM 885 C MET A 58 7.634 5.497 -9.652 1.00 0.00 C ATOM 886 O MET A 58 8.388 4.667 -10.158 1.00 0.00 O ATOM 887 CB MET A 58 8.890 5.734 -7.502 1.00 0.00 C ATOM 888 CG MET A 58 9.498 7.122 -7.625 1.00 0.00 C ATOM 889 SD MET A 58 9.926 7.545 -9.325 1.00 0.00 S ATOM 890 CE MET A 58 10.712 9.137 -9.091 1.00 0.00 C ATOM 0 H MET A 58 7.211 4.076 -6.743 1.00 0.00 H new ATOM 0 HA MET A 58 6.930 6.513 -7.908 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.821 5.469 -6.447 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.558 5.011 -7.970 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.794 7.858 -7.238 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.392 7.179 -7.004 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.042 9.927 -9.431 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.935 9.281 -8.034 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.638 9.174 -9.665 1.00 0.00 H new ATOM 900 N GLY A 59 6.893 6.335 -10.372 1.00 0.00 N ATOM 901 CA GLY A 59 6.940 6.307 -11.823 1.00 0.00 C ATOM 902 C GLY A 59 7.732 7.464 -12.399 1.00 0.00 C ATOM 903 O GLY A 59 8.920 7.326 -12.694 1.00 0.00 O ATOM 0 H GLY A 59 6.262 7.032 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.384 5.367 -12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.924 6.334 -12.217 1.00 0.00 H new ATOM 907 N ARG A 60 7.075 8.607 -12.561 1.00 0.00 N ATOM 908 CA ARG A 60 7.725 9.791 -13.109 1.00 0.00 C ATOM 909 C ARG A 60 7.052 11.064 -12.603 1.00 0.00 C ATOM 910 O ARG A 60 5.845 11.088 -12.366 1.00 0.00 O ATOM 911 CB ARG A 60 7.690 9.757 -14.638 1.00 0.00 C ATOM 912 CG ARG A 60 8.621 10.767 -15.291 1.00 0.00 C ATOM 913 CD ARG A 60 8.078 11.238 -16.631 1.00 0.00 C ATOM 914 NE ARG A 60 8.542 12.582 -16.967 1.00 0.00 N ATOM 915 CZ ARG A 60 9.718 12.834 -17.531 1.00 0.00 C ATOM 916 NH1 ARG A 60 10.544 11.838 -17.822 1.00 0.00 N ATOM 917 NH2 ARG A 60 10.069 14.083 -17.807 1.00 0.00 N ATOM 0 H ARG A 60 6.093 8.739 -12.321 1.00 0.00 H new ATOM 0 HA ARG A 60 8.763 9.792 -12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.958 8.756 -14.977 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.670 9.945 -14.974 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.753 11.623 -14.629 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.604 10.319 -15.433 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.386 10.542 -17.412 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.988 11.226 -16.605 1.00 0.00 H new ATOM 0 HE ARG A 60 7.929 13.370 -16.757 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.277 10.876 -17.613 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.446 12.034 -18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.436 14.851 -17.586 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.972 14.275 -18.240 1.00 0.00 H new ATOM 931 N GLY A 61 7.843 12.120 -12.438 1.00 0.00 N ATOM 932 CA GLY A 61 7.306 13.382 -11.961 1.00 0.00 C ATOM 933 C GLY A 61 8.270 14.534 -12.159 1.00 0.00 C ATOM 934 O GLY A 61 9.077 14.525 -13.089 1.00 0.00 O ATOM 0 H GLY A 61 8.846 12.124 -12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.374 13.598 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.064 13.293 -10.902 1.00 0.00 H new ATOM 938 N SER A 62 8.187 15.531 -11.284 1.00 0.00 N ATOM 939 CA SER A 62 9.055 16.699 -11.370 1.00 0.00 C ATOM 940 C SER A 62 9.949 16.803 -10.138 1.00 0.00 C ATOM 941 O SER A 62 9.472 16.758 -9.005 1.00 0.00 O ATOM 942 CB SER A 62 8.220 17.972 -11.517 1.00 0.00 C ATOM 943 OG SER A 62 9.026 19.068 -11.915 1.00 0.00 O ATOM 0 H SER A 62 7.527 15.553 -10.507 1.00 0.00 H new ATOM 0 HA SER A 62 9.689 16.586 -12.249 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.432 17.811 -12.252 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.731 18.201 -10.570 1.00 0.00 H new ATOM 0 HG SER A 62 8.468 19.869 -12.004 1.00 0.00 H new ATOM 949 N GLY A 63 11.251 16.943 -10.369 1.00 0.00 N ATOM 950 CA GLY A 63 12.192 17.052 -9.270 1.00 0.00 C ATOM 951 C GLY A 63 13.109 15.848 -9.171 1.00 0.00 C ATOM 952 O GLY A 63 12.947 14.857 -9.883 1.00 0.00 O ATOM 0 H GLY A 63 11.671 16.983 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.792 17.953 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.643 17.165 -8.335 1.00 0.00 H new ATOM 956 N PRO A 64 14.100 15.927 -8.271 1.00 0.00 N ATOM 957 CA PRO A 64 15.067 14.845 -8.060 1.00 0.00 C ATOM 958 C PRO A 64 14.435 13.623 -7.403 1.00 0.00 C ATOM 959 O PRO A 64 13.503 13.746 -6.608 1.00 0.00 O ATOM 960 CB PRO A 64 16.107 15.474 -7.131 1.00 0.00 C ATOM 961 CG PRO A 64 15.371 16.553 -6.414 1.00 0.00 C ATOM 962 CD PRO A 64 14.353 17.078 -7.388 1.00 0.00 C ATOM 0 HA PRO A 64 15.481 14.480 -9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.511 14.740 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.949 15.876 -7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.889 16.166 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.050 17.344 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.444 17.404 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.733 17.935 -7.944 1.00 0.00 H new ATOM 970 N SER A 65 14.947 12.444 -7.740 1.00 0.00 N ATOM 971 CA SER A 65 14.430 11.199 -7.185 1.00 0.00 C ATOM 972 C SER A 65 15.285 10.731 -6.010 1.00 0.00 C ATOM 973 O SER A 65 16.172 9.892 -6.169 1.00 0.00 O ATOM 974 CB SER A 65 14.387 10.114 -8.262 1.00 0.00 C ATOM 975 OG SER A 65 13.489 9.077 -7.907 1.00 0.00 O ATOM 0 H SER A 65 15.720 12.325 -8.395 1.00 0.00 H new ATOM 0 HA SER A 65 13.418 11.384 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.083 10.553 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.385 9.701 -8.406 1.00 0.00 H new ATOM 0 HG SER A 65 13.792 8.651 -7.078 1.00 0.00 H new ATOM 981 N SER A 66 15.012 11.282 -4.832 1.00 0.00 N ATOM 982 CA SER A 66 15.758 10.925 -3.631 1.00 0.00 C ATOM 983 C SER A 66 15.335 9.553 -3.116 1.00 0.00 C ATOM 984 O SER A 66 14.437 9.440 -2.282 1.00 0.00 O ATOM 985 CB SER A 66 15.546 11.978 -2.542 1.00 0.00 C ATOM 986 OG SER A 66 16.137 11.574 -1.319 1.00 0.00 O ATOM 0 H SER A 66 14.280 11.977 -4.683 1.00 0.00 H new ATOM 0 HA SER A 66 16.816 10.886 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.976 12.927 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.479 12.145 -2.396 1.00 0.00 H new ATOM 0 HG SER A 66 15.989 12.265 -0.640 1.00 0.00 H new ATOM 992 N GLY A 67 15.989 8.511 -3.620 1.00 0.00 N ATOM 993 CA GLY A 67 15.668 7.159 -3.200 1.00 0.00 C ATOM 994 C GLY A 67 14.191 6.844 -3.340 1.00 0.00 C ATOM 995 O GLY A 67 13.416 7.203 -2.455 1.00 0.00 O ATOM 0 H GLY A 67 16.736 8.579 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.245 6.450 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.968 7.023 -2.161 1.00 0.00 H new TER 999 GLY A 67 HETATM 1000 ZN ZN A 201 -5.218 -6.484 7.472 1.00 0.00 ZN HETATM 1001 ZN ZN A 401 1.495 -4.553 -2.234 1.00 0.00 ZN