USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 397 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 Single : A 1 GLY N :NH3+ -176:sc= -0.127 (180deg=-0.147) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -111:sc= 0.039 (180deg=-0.229) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00947 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=0.000853 K(o=0.00085,f=-0.68) USER MOD Single : A 23 SER OG : rot -79:sc= 0.884 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.00484 K(o=-0.0048,f=-0.96) USER MOD Single : A 32 THR OG1 : rot 16:sc= 0.906 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0.899 (180deg=0.719) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0.948 (180deg=0.759) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 11:sc= 0.774 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -130:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -36:sc= 0.0334 USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= 1.55 (180deg=1.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.979 11.554 -20.770 1.00 0.00 N ATOM 2 CA GLY A 1 -37.441 10.701 -21.865 1.00 0.00 C ATOM 3 C GLY A 1 -36.320 11.380 -22.636 1.00 0.00 C ATOM 4 O GLY A 1 -35.590 10.731 -23.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.692 11.021 -20.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.204 11.833 -20.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.417 12.405 -21.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.073 9.765 -21.444 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.248 10.446 -22.552 1.00 0.00 H new ATOM 7 N SER A 2 -36.180 12.682 -22.445 1.00 0.00 N ATOM 8 CA SER A 2 -35.160 13.453 -23.135 1.00 0.00 C ATOM 9 C SER A 2 -33.806 13.293 -22.443 1.00 0.00 C ATOM 10 O SER A 2 -32.780 13.055 -23.096 1.00 0.00 O ATOM 11 CB SER A 2 -35.565 14.933 -23.189 1.00 0.00 C ATOM 12 OG SER A 2 -34.660 15.697 -23.970 1.00 0.00 O ATOM 0 H SER A 2 -36.765 13.229 -21.813 1.00 0.00 H new ATOM 0 HA SER A 2 -35.068 13.078 -24.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.569 15.021 -23.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.603 15.337 -22.177 1.00 0.00 H new ATOM 0 HG SER A 2 -34.949 16.633 -23.984 1.00 0.00 H new ATOM 18 N GLY A 3 -33.805 13.410 -21.128 1.00 0.00 N ATOM 19 CA GLY A 3 -32.582 13.282 -20.381 1.00 0.00 C ATOM 20 C GLY A 3 -32.531 14.230 -19.212 1.00 0.00 C ATOM 21 O GLY A 3 -33.518 14.906 -18.909 1.00 0.00 O ATOM 0 H GLY A 3 -34.635 13.592 -20.564 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -32.483 12.258 -20.021 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -31.734 13.472 -21.039 1.00 0.00 H new ATOM 25 N LYS A 4 -31.392 14.291 -18.555 1.00 0.00 N ATOM 26 CA LYS A 4 -31.234 15.151 -17.400 1.00 0.00 C ATOM 27 C LYS A 4 -30.671 16.512 -17.797 1.00 0.00 C ATOM 28 O LYS A 4 -31.365 17.530 -17.702 1.00 0.00 O ATOM 29 CB LYS A 4 -30.351 14.482 -16.345 1.00 0.00 C ATOM 30 CG LYS A 4 -30.954 13.206 -15.775 1.00 0.00 C ATOM 31 CD LYS A 4 -30.084 12.600 -14.684 1.00 0.00 C ATOM 32 CE LYS A 4 -28.769 12.066 -15.233 1.00 0.00 C ATOM 33 NZ LYS A 4 -27.957 11.416 -14.173 1.00 0.00 N ATOM 0 H LYS A 4 -30.560 13.754 -18.801 1.00 0.00 H new ATOM 0 HA LYS A 4 -32.221 15.315 -16.966 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -29.381 14.252 -16.786 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -30.172 15.186 -15.532 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -31.943 13.422 -15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -31.088 12.480 -16.576 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -29.880 13.353 -13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -30.627 11.792 -14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -28.971 11.349 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -28.201 12.883 -15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -27.068 11.064 -14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -27.744 12.107 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -28.490 10.621 -13.766 1.00 0.00 H new ATOM 47 N GLY A 5 -29.431 16.523 -18.254 1.00 0.00 N ATOM 48 CA GLY A 5 -28.796 17.762 -18.647 1.00 0.00 C ATOM 49 C GLY A 5 -28.012 18.370 -17.512 1.00 0.00 C ATOM 50 O GLY A 5 -28.590 18.860 -16.543 1.00 0.00 O ATOM 0 H GLY A 5 -28.849 15.692 -18.361 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -28.132 17.579 -19.491 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -29.554 18.468 -18.985 1.00 0.00 H new ATOM 54 N LYS A 6 -26.700 18.345 -17.625 1.00 0.00 N ATOM 55 CA LYS A 6 -25.842 18.863 -16.580 1.00 0.00 C ATOM 56 C LYS A 6 -24.631 19.557 -17.167 1.00 0.00 C ATOM 57 O LYS A 6 -23.998 19.046 -18.092 1.00 0.00 O ATOM 58 CB LYS A 6 -25.370 17.727 -15.665 1.00 0.00 C ATOM 59 CG LYS A 6 -24.453 18.186 -14.536 1.00 0.00 C ATOM 60 CD LYS A 6 -23.774 17.011 -13.839 1.00 0.00 C ATOM 61 CE LYS A 6 -22.780 16.300 -14.758 1.00 0.00 C ATOM 62 NZ LYS A 6 -21.684 17.203 -15.211 1.00 0.00 N ATOM 0 H LYS A 6 -26.203 17.970 -18.433 1.00 0.00 H new ATOM 0 HA LYS A 6 -26.422 19.584 -16.003 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -26.242 17.234 -15.235 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -24.847 16.983 -16.266 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.694 18.858 -14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -25.031 18.755 -13.808 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.255 17.367 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -24.530 16.301 -13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.351 15.446 -14.234 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.308 15.908 -15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.788 17.391 -16.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.734 18.099 -14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.765 16.749 -15.035 1.00 0.00 H new ATOM 76 N GLY A 7 -24.315 20.717 -16.636 1.00 0.00 N ATOM 77 CA GLY A 7 -23.126 21.413 -17.049 1.00 0.00 C ATOM 78 C GLY A 7 -21.953 21.004 -16.188 1.00 0.00 C ATOM 79 O GLY A 7 -22.124 20.228 -15.239 1.00 0.00 O ATOM 0 H GLY A 7 -24.865 21.193 -15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.912 21.193 -18.095 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.282 22.489 -16.975 1.00 0.00 H new ATOM 83 N GLU A 8 -20.777 21.491 -16.514 1.00 0.00 N ATOM 84 CA GLU A 8 -19.578 21.190 -15.746 1.00 0.00 C ATOM 85 C GLU A 8 -19.727 21.634 -14.298 1.00 0.00 C ATOM 86 O GLU A 8 -19.605 20.825 -13.374 1.00 0.00 O ATOM 87 CB GLU A 8 -18.348 21.852 -16.376 1.00 0.00 C ATOM 88 CG GLU A 8 -17.927 21.243 -17.709 1.00 0.00 C ATOM 89 CD GLU A 8 -18.636 21.828 -18.920 1.00 0.00 C ATOM 90 OE1 GLU A 8 -19.831 22.178 -18.827 1.00 0.00 O ATOM 91 OE2 GLU A 8 -17.996 21.925 -19.984 1.00 0.00 O ATOM 0 H GLU A 8 -20.619 22.104 -17.314 1.00 0.00 H new ATOM 0 HA GLU A 8 -19.440 20.109 -15.761 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.554 22.912 -16.522 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.514 21.783 -15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.852 21.378 -17.833 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.112 20.169 -17.678 1.00 0.00 H new ATOM 98 N LYS A 9 -20.006 22.915 -14.117 1.00 0.00 N ATOM 99 CA LYS A 9 -20.192 23.516 -12.797 1.00 0.00 C ATOM 100 C LYS A 9 -20.418 25.004 -12.963 1.00 0.00 C ATOM 101 O LYS A 9 -21.245 25.603 -12.274 1.00 0.00 O ATOM 102 CB LYS A 9 -18.968 23.286 -11.888 1.00 0.00 C ATOM 103 CG LYS A 9 -19.324 22.893 -10.457 1.00 0.00 C ATOM 104 CD LYS A 9 -20.161 23.963 -9.778 1.00 0.00 C ATOM 105 CE LYS A 9 -20.581 23.548 -8.383 1.00 0.00 C ATOM 106 NZ LYS A 9 -21.440 24.571 -7.745 1.00 0.00 N ATOM 0 H LYS A 9 -20.112 23.576 -14.886 1.00 0.00 H new ATOM 0 HA LYS A 9 -21.054 23.044 -12.325 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.346 22.505 -12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.368 24.196 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.872 21.951 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.410 22.727 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.591 24.891 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.047 24.167 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -21.117 22.600 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.695 23.382 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.708 24.253 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.919 25.469 -7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -22.297 24.711 -8.317 1.00 0.00 H new ATOM 120 N CYS A 10 -19.661 25.598 -13.877 1.00 0.00 N ATOM 121 CA CYS A 10 -19.777 27.012 -14.173 1.00 0.00 C ATOM 122 C CYS A 10 -21.185 27.368 -14.606 1.00 0.00 C ATOM 123 O CYS A 10 -21.830 26.621 -15.348 1.00 0.00 O ATOM 124 CB CYS A 10 -18.773 27.422 -15.239 1.00 0.00 C ATOM 125 SG CYS A 10 -17.058 27.318 -14.695 1.00 0.00 S ATOM 0 H CYS A 10 -18.954 25.112 -14.429 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.556 27.563 -13.259 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.906 26.787 -16.115 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.985 28.445 -15.551 1.00 0.00 H new ATOM 130 N THR A 11 -21.654 28.502 -14.139 1.00 0.00 N ATOM 131 CA THR A 11 -22.983 28.955 -14.437 1.00 0.00 C ATOM 132 C THR A 11 -23.037 29.607 -15.818 1.00 0.00 C ATOM 133 O THR A 11 -22.001 29.792 -16.474 1.00 0.00 O ATOM 134 CB THR A 11 -23.462 29.951 -13.367 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.520 31.029 -13.254 1.00 0.00 O ATOM 136 CG2 THR A 11 -23.595 29.255 -12.017 1.00 0.00 C ATOM 0 H THR A 11 -21.120 29.133 -13.542 1.00 0.00 H new ATOM 0 HA THR A 11 -23.644 28.089 -14.436 1.00 0.00 H new ATOM 0 HB THR A 11 -24.435 30.342 -13.664 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.828 31.663 -12.573 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.935 29.972 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 11 -24.318 28.443 -12.096 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.627 28.851 -11.719 1.00 0.00 H new ATOM 144 N SER A 12 -24.236 29.957 -16.251 1.00 0.00 N ATOM 145 CA SER A 12 -24.437 30.580 -17.546 1.00 0.00 C ATOM 146 C SER A 12 -23.708 31.924 -17.631 1.00 0.00 C ATOM 147 O SER A 12 -23.286 32.347 -18.711 1.00 0.00 O ATOM 148 CB SER A 12 -25.933 30.753 -17.808 1.00 0.00 C ATOM 149 OG SER A 12 -26.591 31.271 -16.659 1.00 0.00 O ATOM 0 H SER A 12 -25.094 29.818 -15.717 1.00 0.00 H new ATOM 0 HA SER A 12 -24.017 29.932 -18.315 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.083 31.425 -18.653 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.372 29.794 -18.082 1.00 0.00 H new ATOM 0 HG SER A 12 -27.547 31.376 -16.849 1.00 0.00 H new ATOM 155 N ALA A 13 -23.545 32.576 -16.483 1.00 0.00 N ATOM 156 CA ALA A 13 -22.858 33.849 -16.416 1.00 0.00 C ATOM 157 C ALA A 13 -21.374 33.671 -16.704 1.00 0.00 C ATOM 158 O ALA A 13 -20.782 34.439 -17.455 1.00 0.00 O ATOM 159 CB ALA A 13 -23.057 34.478 -15.044 1.00 0.00 C ATOM 0 H ALA A 13 -23.885 32.235 -15.584 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.278 34.511 -17.173 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.537 35.435 -15.003 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.121 34.636 -14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.656 33.814 -14.278 1.00 0.00 H new ATOM 165 N CYS A 14 -20.793 32.640 -16.122 1.00 0.00 N ATOM 166 CA CYS A 14 -19.369 32.366 -16.275 1.00 0.00 C ATOM 167 C CYS A 14 -19.051 31.904 -17.688 1.00 0.00 C ATOM 168 O CYS A 14 -18.008 32.244 -18.249 1.00 0.00 O ATOM 169 CB CYS A 14 -18.936 31.297 -15.273 1.00 0.00 C ATOM 170 SG CYS A 14 -17.148 31.097 -15.104 1.00 0.00 S ATOM 0 H CYS A 14 -21.287 31.970 -15.533 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.821 33.289 -16.084 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.354 31.543 -14.297 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.368 30.342 -15.573 1.00 0.00 H new ATOM 175 N ARG A 15 -19.955 31.141 -18.275 1.00 0.00 N ATOM 176 CA ARG A 15 -19.724 30.609 -19.599 1.00 0.00 C ATOM 177 C ARG A 15 -20.006 31.652 -20.676 1.00 0.00 C ATOM 178 O ARG A 15 -19.700 31.443 -21.847 1.00 0.00 O ATOM 179 CB ARG A 15 -20.554 29.351 -19.831 1.00 0.00 C ATOM 180 CG ARG A 15 -19.964 28.439 -20.888 1.00 0.00 C ATOM 181 CD ARG A 15 -20.685 27.112 -20.946 1.00 0.00 C ATOM 182 NE ARG A 15 -19.831 26.070 -21.511 1.00 0.00 N ATOM 183 CZ ARG A 15 -19.618 24.888 -20.935 1.00 0.00 C ATOM 184 NH1 ARG A 15 -20.317 24.536 -19.862 1.00 0.00 N ATOM 185 NH2 ARG A 15 -18.728 24.047 -21.447 1.00 0.00 N ATOM 0 H ARG A 15 -20.848 30.879 -17.857 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.670 30.340 -19.668 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.642 28.802 -18.893 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.563 29.638 -20.128 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.020 28.926 -21.861 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.908 28.271 -20.676 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.001 26.823 -19.944 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.588 27.212 -21.548 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.370 26.259 -22.401 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.017 25.171 -19.479 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.154 23.631 -19.421 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.205 24.305 -22.284 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.567 23.143 -21.004 1.00 0.00 H new ATOM 199 N SER A 16 -20.580 32.772 -20.279 1.00 0.00 N ATOM 200 CA SER A 16 -20.855 33.840 -21.210 1.00 0.00 C ATOM 201 C SER A 16 -19.577 34.633 -21.447 1.00 0.00 C ATOM 202 O SER A 16 -18.629 34.540 -20.661 1.00 0.00 O ATOM 203 CB SER A 16 -21.960 34.750 -20.663 1.00 0.00 C ATOM 204 OG SER A 16 -22.403 35.669 -21.646 1.00 0.00 O ATOM 0 H SER A 16 -20.863 32.962 -19.318 1.00 0.00 H new ATOM 0 HA SER A 16 -21.200 33.421 -22.155 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.800 34.143 -20.325 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.589 35.294 -19.794 1.00 0.00 H new ATOM 0 HG SER A 16 -23.109 36.235 -21.270 1.00 0.00 H new ATOM 210 N GLU A 17 -19.536 35.396 -22.518 1.00 0.00 N ATOM 211 CA GLU A 17 -18.359 36.178 -22.835 1.00 0.00 C ATOM 212 C GLU A 17 -18.731 37.593 -23.278 1.00 0.00 C ATOM 213 O GLU A 17 -19.499 37.776 -24.222 1.00 0.00 O ATOM 214 CB GLU A 17 -17.503 35.478 -23.889 1.00 0.00 C ATOM 215 CG GLU A 17 -18.246 35.111 -25.154 1.00 0.00 C ATOM 216 CD GLU A 17 -17.330 34.544 -26.198 1.00 0.00 C ATOM 217 OE1 GLU A 17 -16.664 35.338 -26.900 1.00 0.00 O ATOM 218 OE2 GLU A 17 -17.257 33.307 -26.322 1.00 0.00 O ATOM 0 H GLU A 17 -20.303 35.492 -23.184 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.766 36.265 -21.925 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.666 36.126 -24.149 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.081 34.572 -23.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.024 34.384 -24.920 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.745 35.995 -25.551 1.00 0.00 H new ATOM 225 N PRO A 18 -18.189 38.621 -22.595 1.00 0.00 N ATOM 226 CA PRO A 18 -17.254 38.438 -21.471 1.00 0.00 C ATOM 227 C PRO A 18 -17.912 37.738 -20.288 1.00 0.00 C ATOM 228 O PRO A 18 -19.137 37.740 -20.154 1.00 0.00 O ATOM 229 CB PRO A 18 -16.862 39.870 -21.095 1.00 0.00 C ATOM 230 CG PRO A 18 -17.989 40.700 -21.584 1.00 0.00 C ATOM 231 CD PRO A 18 -18.461 40.042 -22.848 1.00 0.00 C ATOM 0 HA PRO A 18 -16.405 37.810 -21.742 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.728 39.976 -20.018 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.922 40.161 -21.563 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.789 40.748 -20.845 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.668 41.724 -21.772 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -19.520 40.225 -23.029 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.921 40.408 -23.721 1.00 0.00 H new ATOM 239 N CYS A 19 -17.096 37.137 -19.451 1.00 0.00 N ATOM 240 CA CYS A 19 -17.585 36.390 -18.313 1.00 0.00 C ATOM 241 C CYS A 19 -18.372 37.286 -17.373 1.00 0.00 C ATOM 242 O CYS A 19 -17.913 38.362 -16.988 1.00 0.00 O ATOM 243 CB CYS A 19 -16.434 35.730 -17.579 1.00 0.00 C ATOM 244 SG CYS A 19 -16.951 34.704 -16.198 1.00 0.00 S ATOM 0 H CYS A 19 -16.080 37.152 -19.539 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.255 35.613 -18.679 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.869 35.119 -18.283 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.758 36.502 -17.213 1.00 0.00 H new ATOM 249 N GLN A 20 -19.551 36.833 -17.007 1.00 0.00 N ATOM 250 CA GLN A 20 -20.444 37.597 -16.163 1.00 0.00 C ATOM 251 C GLN A 20 -20.404 37.089 -14.732 1.00 0.00 C ATOM 252 O GLN A 20 -21.259 37.438 -13.911 1.00 0.00 O ATOM 253 CB GLN A 20 -21.862 37.496 -16.703 1.00 0.00 C ATOM 254 CG GLN A 20 -21.998 37.927 -18.146 1.00 0.00 C ATOM 255 CD GLN A 20 -21.672 39.394 -18.354 1.00 0.00 C ATOM 256 OE1 GLN A 20 -21.863 40.222 -17.460 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.191 39.729 -19.530 1.00 0.00 N ATOM 0 H GLN A 20 -19.918 35.923 -17.286 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.120 38.638 -16.167 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.205 36.466 -16.608 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.520 38.109 -16.087 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.337 37.321 -18.765 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.016 37.734 -18.484 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.047 39.015 -20.244 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.962 40.703 -19.729 1.00 0.00 H new ATOM 266 N CYS A 21 -19.406 36.275 -14.429 1.00 0.00 N ATOM 267 CA CYS A 21 -19.269 35.712 -13.097 1.00 0.00 C ATOM 268 C CYS A 21 -18.864 36.783 -12.088 1.00 0.00 C ATOM 269 O CYS A 21 -19.006 36.595 -10.902 1.00 0.00 O ATOM 270 CB CYS A 21 -18.248 34.581 -13.081 1.00 0.00 C ATOM 271 SG CYS A 21 -18.917 32.964 -12.650 1.00 0.00 S ATOM 0 H CYS A 21 -18.680 35.990 -15.087 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.242 35.311 -12.813 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.784 34.516 -14.065 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.459 34.833 -12.372 1.00 0.00 H new ATOM 276 N GLY A 22 -18.378 37.921 -12.574 1.00 0.00 N ATOM 277 CA GLY A 22 -17.951 38.992 -11.679 1.00 0.00 C ATOM 278 C GLY A 22 -19.051 39.429 -10.718 1.00 0.00 C ATOM 279 O GLY A 22 -18.774 39.842 -9.589 1.00 0.00 O ATOM 0 H GLY A 22 -18.271 38.124 -13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.086 38.658 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.630 39.849 -12.271 1.00 0.00 H new ATOM 283 N SER A 23 -20.294 39.309 -11.162 1.00 0.00 N ATOM 284 CA SER A 23 -21.444 39.703 -10.366 1.00 0.00 C ATOM 285 C SER A 23 -21.593 38.840 -9.095 1.00 0.00 C ATOM 286 O SER A 23 -21.771 39.369 -7.995 1.00 0.00 O ATOM 287 CB SER A 23 -22.715 39.629 -11.217 1.00 0.00 C ATOM 288 OG SER A 23 -22.874 38.335 -11.799 1.00 0.00 O ATOM 0 H SER A 23 -20.532 38.937 -12.081 1.00 0.00 H new ATOM 0 HA SER A 23 -21.286 40.731 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.583 39.862 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 23 -22.673 40.382 -12.004 1.00 0.00 H new ATOM 0 HG SER A 23 -22.285 38.252 -12.578 1.00 0.00 H new ATOM 294 N LYS A 24 -21.518 37.520 -9.252 1.00 0.00 N ATOM 295 CA LYS A 24 -21.687 36.598 -8.117 1.00 0.00 C ATOM 296 C LYS A 24 -20.566 35.573 -8.064 1.00 0.00 C ATOM 297 O LYS A 24 -20.003 35.313 -7.001 1.00 0.00 O ATOM 298 CB LYS A 24 -23.035 35.872 -8.202 1.00 0.00 C ATOM 299 CG LYS A 24 -24.251 36.780 -8.077 1.00 0.00 C ATOM 300 CD LYS A 24 -24.301 37.486 -6.725 1.00 0.00 C ATOM 301 CE LYS A 24 -24.435 36.499 -5.576 1.00 0.00 C ATOM 302 NZ LYS A 24 -24.516 37.185 -4.264 1.00 0.00 N ATOM 0 H LYS A 24 -21.343 37.061 -10.146 1.00 0.00 H new ATOM 0 HA LYS A 24 -21.656 37.197 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -23.089 35.343 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -23.078 35.119 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -24.232 37.524 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -25.158 36.191 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.396 38.079 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -25.142 38.179 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -25.327 35.890 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.582 35.821 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -24.607 36.477 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -23.654 37.746 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.345 37.813 -4.251 1.00 0.00 H new ATOM 316 N CYS A 25 -20.264 34.994 -9.220 1.00 0.00 N ATOM 317 CA CYS A 25 -19.223 33.986 -9.355 1.00 0.00 C ATOM 318 C CYS A 25 -19.583 32.746 -8.560 1.00 0.00 C ATOM 319 O CYS A 25 -19.154 32.568 -7.418 1.00 0.00 O ATOM 320 CB CYS A 25 -17.856 34.536 -8.930 1.00 0.00 C ATOM 321 SG CYS A 25 -16.461 33.570 -9.521 1.00 0.00 S ATOM 0 H CYS A 25 -20.739 35.213 -10.096 1.00 0.00 H new ATOM 0 HA CYS A 25 -19.151 33.711 -10.407 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -17.758 35.558 -9.296 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -17.817 34.582 -7.842 1.00 0.00 H new ATOM 326 N GLN A 26 -20.404 31.910 -9.158 1.00 0.00 N ATOM 327 CA GLN A 26 -20.876 30.703 -8.510 1.00 0.00 C ATOM 328 C GLN A 26 -20.415 29.479 -9.270 1.00 0.00 C ATOM 329 O GLN A 26 -20.975 28.392 -9.129 1.00 0.00 O ATOM 330 CB GLN A 26 -22.399 30.735 -8.405 1.00 0.00 C ATOM 331 CG GLN A 26 -22.915 31.864 -7.529 1.00 0.00 C ATOM 332 CD GLN A 26 -24.411 32.048 -7.621 1.00 0.00 C ATOM 333 OE1 GLN A 26 -25.018 31.788 -8.661 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.014 32.506 -6.541 1.00 0.00 N ATOM 0 H GLN A 26 -20.763 32.046 -10.103 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.457 30.652 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.824 30.836 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.749 29.784 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.642 31.665 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.422 32.793 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.472 32.708 -5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.023 32.658 -6.546 1.00 0.00 H new ATOM 343 N CYS A 27 -19.387 29.658 -10.074 1.00 0.00 N ATOM 344 CA CYS A 27 -18.829 28.572 -10.843 1.00 0.00 C ATOM 345 C CYS A 27 -18.006 27.663 -9.941 1.00 0.00 C ATOM 346 O CYS A 27 -17.639 28.047 -8.827 1.00 0.00 O ATOM 347 CB CYS A 27 -17.945 29.122 -11.952 1.00 0.00 C ATOM 348 SG CYS A 27 -16.440 29.930 -11.363 1.00 0.00 S ATOM 0 H CYS A 27 -18.920 30.554 -10.210 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.645 27.998 -11.283 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.669 28.306 -12.620 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.521 29.836 -12.541 1.00 0.00 H new ATOM 353 N GLY A 28 -17.723 26.463 -10.408 1.00 0.00 N ATOM 354 CA GLY A 28 -16.906 25.554 -9.632 1.00 0.00 C ATOM 355 C GLY A 28 -15.498 25.485 -10.163 1.00 0.00 C ATOM 356 O GLY A 28 -14.798 24.486 -9.961 1.00 0.00 O ATOM 0 H GLY A 28 -18.041 26.100 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.888 25.878 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.351 24.559 -9.648 1.00 0.00 H new ATOM 360 N GLU A 29 -15.079 26.561 -10.837 1.00 0.00 N ATOM 361 CA GLU A 29 -13.761 26.653 -11.466 1.00 0.00 C ATOM 362 C GLU A 29 -13.647 25.653 -12.614 1.00 0.00 C ATOM 363 O GLU A 29 -14.619 24.975 -12.964 1.00 0.00 O ATOM 364 CB GLU A 29 -12.631 26.455 -10.438 1.00 0.00 C ATOM 365 CG GLU A 29 -11.588 27.574 -10.435 1.00 0.00 C ATOM 366 CD GLU A 29 -10.608 27.484 -11.589 1.00 0.00 C ATOM 367 OE1 GLU A 29 -11.004 27.722 -12.745 1.00 0.00 O ATOM 368 OE2 GLU A 29 -9.426 27.171 -11.337 1.00 0.00 O ATOM 0 H GLU A 29 -15.650 27.397 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.651 27.657 -11.876 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.069 26.378 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.132 25.508 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.098 28.537 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.036 27.544 -9.496 1.00 0.00 H new ATOM 375 N GLY A 30 -12.477 25.568 -13.198 1.00 0.00 N ATOM 376 CA GLY A 30 -12.286 24.716 -14.336 1.00 0.00 C ATOM 377 C GLY A 30 -12.634 25.466 -15.586 1.00 0.00 C ATOM 378 O GLY A 30 -12.746 24.891 -16.669 1.00 0.00 O ATOM 0 H GLY A 30 -11.646 26.080 -12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.251 24.376 -14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.910 23.827 -14.247 1.00 0.00 H new ATOM 382 N CYS A 31 -12.823 26.764 -15.416 1.00 0.00 N ATOM 383 CA CYS A 31 -13.164 27.657 -16.494 1.00 0.00 C ATOM 384 C CYS A 31 -11.929 28.401 -16.949 1.00 0.00 C ATOM 385 O CYS A 31 -11.831 28.820 -18.106 1.00 0.00 O ATOM 386 CB CYS A 31 -14.213 28.648 -16.009 1.00 0.00 C ATOM 387 SG CYS A 31 -13.780 29.440 -14.442 1.00 0.00 S ATOM 0 H CYS A 31 -12.741 27.226 -14.511 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.563 27.085 -17.332 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.356 29.416 -16.769 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.166 28.131 -15.896 1.00 0.00 H new ATOM 392 N THR A 32 -10.976 28.551 -16.020 1.00 0.00 N ATOM 393 CA THR A 32 -9.712 29.245 -16.261 1.00 0.00 C ATOM 394 C THR A 32 -9.930 30.650 -16.832 1.00 0.00 C ATOM 395 O THR A 32 -9.152 31.126 -17.661 1.00 0.00 O ATOM 396 CB THR A 32 -8.742 28.420 -17.165 1.00 0.00 C ATOM 397 OG1 THR A 32 -9.367 28.061 -18.410 1.00 0.00 O ATOM 398 CG2 THR A 32 -8.297 27.160 -16.443 1.00 0.00 C ATOM 0 H THR A 32 -11.066 28.189 -15.071 1.00 0.00 H new ATOM 0 HA THR A 32 -9.234 29.351 -15.287 1.00 0.00 H new ATOM 0 HB THR A 32 -7.876 29.046 -17.379 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.167 28.611 -18.545 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.621 26.593 -17.083 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.782 27.431 -15.522 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.168 26.550 -16.205 1.00 0.00 H new ATOM 406 N CYS A 33 -10.987 31.312 -16.362 1.00 0.00 N ATOM 407 CA CYS A 33 -11.319 32.660 -16.801 1.00 0.00 C ATOM 408 C CYS A 33 -10.266 33.667 -16.369 1.00 0.00 C ATOM 409 O CYS A 33 -9.402 33.373 -15.547 1.00 0.00 O ATOM 410 CB CYS A 33 -12.676 33.085 -16.239 1.00 0.00 C ATOM 411 SG CYS A 33 -14.086 32.296 -17.021 1.00 0.00 S ATOM 0 H CYS A 33 -11.631 30.929 -15.671 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.357 32.643 -17.890 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.698 32.865 -15.172 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.776 34.165 -16.344 1.00 0.00 H new ATOM 416 N ALA A 34 -10.351 34.849 -16.939 1.00 0.00 N ATOM 417 CA ALA A 34 -9.475 35.942 -16.586 1.00 0.00 C ATOM 418 C ALA A 34 -10.310 37.077 -16.023 1.00 0.00 C ATOM 419 O ALA A 34 -9.832 38.196 -15.838 1.00 0.00 O ATOM 420 CB ALA A 34 -8.689 36.406 -17.805 1.00 0.00 C ATOM 0 H ALA A 34 -11.032 35.079 -17.663 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.759 35.611 -15.833 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.033 37.230 -17.523 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.090 35.580 -18.188 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.381 36.741 -18.578 1.00 0.00 H new ATOM 426 N ALA A 35 -11.569 36.766 -15.741 1.00 0.00 N ATOM 427 CA ALA A 35 -12.509 37.741 -15.228 1.00 0.00 C ATOM 428 C ALA A 35 -12.854 37.436 -13.789 1.00 0.00 C ATOM 429 O ALA A 35 -12.489 38.188 -12.885 1.00 0.00 O ATOM 430 CB ALA A 35 -13.764 37.767 -16.082 1.00 0.00 C ATOM 0 H ALA A 35 -11.961 35.832 -15.863 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.043 38.726 -15.269 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.460 38.505 -15.683 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.502 38.032 -17.106 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.232 36.783 -16.071 1.00 0.00 H new ATOM 436 N CYS A 36 -13.551 36.331 -13.568 1.00 0.00 N ATOM 437 CA CYS A 36 -13.905 35.938 -12.228 1.00 0.00 C ATOM 438 C CYS A 36 -12.698 35.311 -11.549 1.00 0.00 C ATOM 439 O CYS A 36 -12.365 35.633 -10.402 1.00 0.00 O ATOM 440 CB CYS A 36 -15.089 34.977 -12.246 1.00 0.00 C ATOM 441 SG CYS A 36 -14.820 33.420 -13.137 1.00 0.00 S ATOM 0 H CYS A 36 -13.877 35.700 -14.300 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.206 36.819 -11.661 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.360 34.744 -11.216 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.942 35.488 -12.693 1.00 0.00 H new ATOM 446 N LYS A 37 -12.025 34.445 -12.289 1.00 0.00 N ATOM 447 CA LYS A 37 -10.834 33.785 -11.814 1.00 0.00 C ATOM 448 C LYS A 37 -9.622 34.674 -12.033 1.00 0.00 C ATOM 449 O LYS A 37 -9.197 34.888 -13.170 1.00 0.00 O ATOM 450 CB LYS A 37 -10.635 32.451 -12.539 1.00 0.00 C ATOM 451 CG LYS A 37 -9.395 31.689 -12.099 1.00 0.00 C ATOM 452 CD LYS A 37 -9.125 30.504 -13.004 1.00 0.00 C ATOM 453 CE LYS A 37 -7.798 29.840 -12.670 1.00 0.00 C ATOM 454 NZ LYS A 37 -7.783 29.264 -11.303 1.00 0.00 N ATOM 0 H LYS A 37 -12.295 34.184 -13.237 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.949 33.592 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.512 31.825 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.574 32.637 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.534 32.357 -12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.523 31.344 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.932 29.778 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.118 30.833 -14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.596 29.052 -13.396 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.995 30.572 -12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.828 28.914 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.049 29.997 -10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.461 28.477 -11.250 1.00 0.00 H new ATOM 468 N THR A 38 -9.088 35.204 -10.954 1.00 0.00 N ATOM 469 CA THR A 38 -7.917 36.047 -11.013 1.00 0.00 C ATOM 470 C THR A 38 -7.532 36.489 -9.605 1.00 0.00 C ATOM 471 O THR A 38 -8.328 36.360 -8.669 1.00 0.00 O ATOM 472 CB THR A 38 -8.152 37.295 -11.918 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.906 37.949 -12.196 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.115 38.286 -11.263 1.00 0.00 C ATOM 0 H THR A 38 -9.454 35.062 -10.013 1.00 0.00 H new ATOM 0 HA THR A 38 -7.105 35.467 -11.452 1.00 0.00 H new ATOM 0 HB THR A 38 -8.598 36.948 -12.850 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.066 38.730 -12.766 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.257 39.144 -11.920 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.075 37.800 -11.089 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.701 38.622 -10.312 1.00 0.00 H new ATOM 482 N CYS A 39 -6.323 36.985 -9.455 1.00 0.00 N ATOM 483 CA CYS A 39 -5.853 37.457 -8.172 1.00 0.00 C ATOM 484 C CYS A 39 -6.049 38.963 -8.082 1.00 0.00 C ATOM 485 O CYS A 39 -5.891 39.681 -9.078 1.00 0.00 O ATOM 486 CB CYS A 39 -4.384 37.091 -7.975 1.00 0.00 C ATOM 487 SG CYS A 39 -3.708 37.561 -6.370 1.00 0.00 S ATOM 0 H CYS A 39 -5.644 37.072 -10.211 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.428 36.977 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.270 36.014 -8.102 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.795 37.569 -8.758 1.00 0.00 H new ATOM 492 N ASN A 40 -6.391 39.444 -6.900 1.00 0.00 N ATOM 493 CA ASN A 40 -6.666 40.862 -6.712 1.00 0.00 C ATOM 494 C ASN A 40 -5.506 41.568 -6.034 1.00 0.00 C ATOM 495 O ASN A 40 -5.590 42.758 -5.708 1.00 0.00 O ATOM 496 CB ASN A 40 -7.963 41.054 -5.911 1.00 0.00 C ATOM 497 CG ASN A 40 -9.211 40.753 -6.734 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.809 41.653 -7.327 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.602 39.490 -6.788 1.00 0.00 N ATOM 0 H ASN A 40 -6.485 38.878 -6.057 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.794 41.312 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.944 40.405 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.012 42.080 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.424 39.234 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.081 38.773 -6.283 1.00 0.00 H new ATOM 506 N CYS A 41 -4.421 40.844 -5.830 1.00 0.00 N ATOM 507 CA CYS A 41 -3.246 41.396 -5.194 1.00 0.00 C ATOM 508 C CYS A 41 -2.353 42.093 -6.209 1.00 0.00 C ATOM 509 O CYS A 41 -2.279 41.685 -7.370 1.00 0.00 O ATOM 510 CB CYS A 41 -2.472 40.297 -4.480 1.00 0.00 C ATOM 511 SG CYS A 41 -3.453 39.384 -3.277 1.00 0.00 S ATOM 0 H CYS A 41 -4.332 39.864 -6.099 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.570 42.136 -4.462 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.081 39.600 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.613 40.739 -3.975 1.00 0.00 H new ATOM 516 N THR A 42 -1.692 43.146 -5.774 1.00 0.00 N ATOM 517 CA THR A 42 -0.803 43.899 -6.627 1.00 0.00 C ATOM 518 C THR A 42 0.600 43.889 -6.038 1.00 0.00 C ATOM 519 O THR A 42 0.768 43.604 -4.854 1.00 0.00 O ATOM 520 CB THR A 42 -1.291 45.360 -6.776 1.00 0.00 C ATOM 521 OG1 THR A 42 -1.412 45.966 -5.479 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.638 45.408 -7.481 1.00 0.00 C ATOM 0 H THR A 42 -1.757 43.502 -4.820 1.00 0.00 H new ATOM 0 HA THR A 42 -0.793 43.434 -7.613 1.00 0.00 H new ATOM 0 HB THR A 42 -0.561 45.907 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.720 46.891 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.963 46.444 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.546 44.965 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.372 44.849 -6.901 1.00 0.00 H new ATOM 530 N SER A 43 1.603 44.196 -6.850 1.00 0.00 N ATOM 531 CA SER A 43 2.986 44.227 -6.380 1.00 0.00 C ATOM 532 C SER A 43 3.161 45.303 -5.309 1.00 0.00 C ATOM 533 O SER A 43 4.013 45.188 -4.423 1.00 0.00 O ATOM 534 CB SER A 43 3.935 44.467 -7.556 1.00 0.00 C ATOM 535 OG SER A 43 3.749 43.475 -8.563 1.00 0.00 O ATOM 0 H SER A 43 1.487 44.427 -7.837 1.00 0.00 H new ATOM 0 HA SER A 43 3.229 43.263 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.758 45.457 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.967 44.449 -7.207 1.00 0.00 H new ATOM 0 HG SER A 43 4.363 43.646 -9.308 1.00 0.00 H new ATOM 541 N ASP A 44 2.330 46.333 -5.387 1.00 0.00 N ATOM 542 CA ASP A 44 2.348 47.424 -4.420 1.00 0.00 C ATOM 543 C ASP A 44 1.884 46.947 -3.054 1.00 0.00 C ATOM 544 O ASP A 44 2.397 47.389 -2.027 1.00 0.00 O ATOM 545 CB ASP A 44 1.461 48.580 -4.890 1.00 0.00 C ATOM 546 CG ASP A 44 2.119 49.439 -5.945 1.00 0.00 C ATOM 547 OD1 ASP A 44 2.373 50.628 -5.670 1.00 0.00 O ATOM 548 OD2 ASP A 44 2.388 48.933 -7.054 1.00 0.00 O ATOM 0 H ASP A 44 1.627 46.437 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 44 3.376 47.776 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.529 48.177 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.200 49.202 -4.034 1.00 0.00 H new ATOM 553 N GLY A 45 0.923 46.039 -3.043 1.00 0.00 N ATOM 554 CA GLY A 45 0.406 45.544 -1.797 1.00 0.00 C ATOM 555 C GLY A 45 -0.384 44.272 -1.959 1.00 0.00 C ATOM 556 O GLY A 45 -1.287 44.185 -2.803 1.00 0.00 O ATOM 0 H GLY A 45 0.495 45.639 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.233 45.368 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.228 46.306 -1.344 1.00 0.00 H new ATOM 560 N CYS A 46 -0.044 43.280 -1.164 1.00 0.00 N ATOM 561 CA CYS A 46 -0.740 42.021 -1.195 1.00 0.00 C ATOM 562 C CYS A 46 -2.049 42.148 -0.422 1.00 0.00 C ATOM 563 O CYS A 46 -2.057 42.531 0.749 1.00 0.00 O ATOM 564 CB CYS A 46 0.134 40.920 -0.602 1.00 0.00 C ATOM 565 SG CYS A 46 -0.365 39.253 -1.073 1.00 0.00 S ATOM 0 H CYS A 46 0.716 43.327 -0.485 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.964 41.754 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.166 41.081 -0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.114 41.001 0.485 1.00 0.00 H new ATOM 570 N LYS A 47 -3.147 41.829 -1.081 1.00 0.00 N ATOM 571 CA LYS A 47 -4.470 41.985 -0.489 1.00 0.00 C ATOM 572 C LYS A 47 -4.769 40.887 0.515 1.00 0.00 C ATOM 573 O LYS A 47 -5.308 41.146 1.591 1.00 0.00 O ATOM 574 CB LYS A 47 -5.542 41.989 -1.582 1.00 0.00 C ATOM 575 CG LYS A 47 -5.342 43.056 -2.646 1.00 0.00 C ATOM 576 CD LYS A 47 -5.641 44.450 -2.127 1.00 0.00 C ATOM 577 CE LYS A 47 -5.395 45.500 -3.205 1.00 0.00 C ATOM 578 NZ LYS A 47 -6.200 45.245 -4.432 1.00 0.00 N ATOM 0 H LYS A 47 -3.152 41.458 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.482 42.939 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.559 41.011 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.518 42.133 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.314 43.018 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.987 42.842 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.677 44.503 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.015 44.661 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.639 46.487 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.336 45.512 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.093 46.043 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.868 44.372 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.202 45.141 -4.174 1.00 0.00 H new ATOM 592 N CYS A 48 -4.426 39.670 0.175 1.00 0.00 N ATOM 593 CA CYS A 48 -4.721 38.545 1.037 1.00 0.00 C ATOM 594 C CYS A 48 -3.639 38.384 2.108 1.00 0.00 C ATOM 595 O CYS A 48 -3.932 38.054 3.260 1.00 0.00 O ATOM 596 CB CYS A 48 -4.828 37.282 0.210 1.00 0.00 C ATOM 597 SG CYS A 48 -3.255 36.742 -0.442 1.00 0.00 S ATOM 0 H CYS A 48 -3.943 39.429 -0.690 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.672 38.729 1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.253 36.487 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.519 37.452 -0.616 1.00 0.00 H new ATOM 602 N GLY A 49 -2.391 38.617 1.721 1.00 0.00 N ATOM 603 CA GLY A 49 -1.294 38.509 2.655 1.00 0.00 C ATOM 604 C GLY A 49 -0.378 37.330 2.366 1.00 0.00 C ATOM 605 O GLY A 49 0.568 37.080 3.112 1.00 0.00 O ATOM 0 H GLY A 49 -2.122 38.880 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.711 39.429 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.693 38.413 3.665 1.00 0.00 H new ATOM 609 N LYS A 50 -0.647 36.609 1.283 1.00 0.00 N ATOM 610 CA LYS A 50 0.180 35.458 0.907 1.00 0.00 C ATOM 611 C LYS A 50 1.434 35.905 0.168 1.00 0.00 C ATOM 612 O LYS A 50 2.284 35.088 -0.178 1.00 0.00 O ATOM 613 CB LYS A 50 -0.607 34.486 0.030 1.00 0.00 C ATOM 614 CG LYS A 50 -1.833 33.888 0.698 1.00 0.00 C ATOM 615 CD LYS A 50 -1.471 33.099 1.936 1.00 0.00 C ATOM 616 CE LYS A 50 -2.663 32.309 2.442 1.00 0.00 C ATOM 617 NZ LYS A 50 -2.344 31.547 3.671 1.00 0.00 N ATOM 0 H LYS A 50 -1.425 36.796 0.651 1.00 0.00 H new ATOM 0 HA LYS A 50 0.473 34.952 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.919 35.005 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.055 33.677 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.526 34.685 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.351 33.239 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.648 32.420 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.122 33.777 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.490 32.990 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.998 31.621 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.186 31.022 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.572 30.878 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.050 32.205 4.421 1.00 0.00 H new ATOM 631 N GLU A 51 1.523 37.207 -0.076 1.00 0.00 N ATOM 632 CA GLU A 51 2.652 37.822 -0.772 1.00 0.00 C ATOM 633 C GLU A 51 2.725 37.345 -2.227 1.00 0.00 C ATOM 634 O GLU A 51 3.788 37.359 -2.853 1.00 0.00 O ATOM 635 CB GLU A 51 3.970 37.559 -0.035 1.00 0.00 C ATOM 636 CG GLU A 51 5.104 38.478 -0.463 1.00 0.00 C ATOM 637 CD GLU A 51 6.388 38.174 0.257 1.00 0.00 C ATOM 638 OE1 GLU A 51 7.206 37.388 -0.274 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.586 38.705 1.367 1.00 0.00 O ATOM 0 H GLU A 51 0.806 37.875 0.206 1.00 0.00 H new ATOM 0 HA GLU A 51 2.491 38.900 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.806 37.674 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.270 36.524 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.261 38.381 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.821 39.513 -0.274 1.00 0.00 H new ATOM 646 N CYS A 52 1.591 36.934 -2.758 1.00 0.00 N ATOM 647 CA CYS A 52 1.510 36.524 -4.140 1.00 0.00 C ATOM 648 C CYS A 52 1.627 37.748 -5.036 1.00 0.00 C ATOM 649 O CYS A 52 2.400 37.760 -5.995 1.00 0.00 O ATOM 650 CB CYS A 52 0.203 35.780 -4.384 1.00 0.00 C ATOM 651 SG CYS A 52 -1.201 36.439 -3.462 1.00 0.00 S ATOM 0 H CYS A 52 0.710 36.876 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 52 2.330 35.845 -4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.028 35.812 -5.449 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.339 34.732 -4.119 1.00 0.00 H new ATOM 656 N THR A 53 0.854 38.780 -4.690 1.00 0.00 N ATOM 657 CA THR A 53 0.883 40.089 -5.362 1.00 0.00 C ATOM 658 C THR A 53 0.733 39.997 -6.885 1.00 0.00 C ATOM 659 O THR A 53 1.210 40.866 -7.622 1.00 0.00 O ATOM 660 CB THR A 53 2.160 40.891 -4.995 1.00 0.00 C ATOM 661 OG1 THR A 53 3.345 40.189 -5.394 1.00 0.00 O ATOM 662 CG2 THR A 53 2.211 41.152 -3.499 1.00 0.00 C ATOM 0 H THR A 53 0.180 38.733 -3.926 1.00 0.00 H new ATOM 0 HA THR A 53 0.010 40.625 -4.990 1.00 0.00 H new ATOM 0 HB THR A 53 2.118 41.840 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.100 39.434 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.113 41.715 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.334 41.726 -3.200 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.223 40.202 -2.964 1.00 0.00 H new ATOM 670 N GLY A 54 0.044 38.975 -7.344 1.00 0.00 N ATOM 671 CA GLY A 54 -0.152 38.793 -8.755 1.00 0.00 C ATOM 672 C GLY A 54 -0.618 37.395 -9.067 1.00 0.00 C ATOM 673 O GLY A 54 -0.140 36.446 -8.460 1.00 0.00 O ATOM 0 H GLY A 54 -0.387 38.261 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.886 39.513 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.780 38.994 -9.283 1.00 0.00 H new ATOM 677 N PRO A 55 -1.550 37.231 -10.021 1.00 0.00 N ATOM 678 CA PRO A 55 -2.117 35.918 -10.370 1.00 0.00 C ATOM 679 C PRO A 55 -1.064 34.886 -10.772 1.00 0.00 C ATOM 680 O PRO A 55 -1.178 33.709 -10.429 1.00 0.00 O ATOM 681 CB PRO A 55 -3.054 36.219 -11.546 1.00 0.00 C ATOM 682 CG PRO A 55 -2.675 37.582 -12.022 1.00 0.00 C ATOM 683 CD PRO A 55 -2.133 38.309 -10.830 1.00 0.00 C ATOM 0 HA PRO A 55 -2.618 35.471 -9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.938 35.480 -12.339 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.098 36.189 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.928 37.523 -12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.538 38.103 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.385 39.049 -11.115 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.917 38.840 -10.290 1.00 0.00 H new ATOM 691 N ASP A 56 -0.035 35.326 -11.476 1.00 0.00 N ATOM 692 CA ASP A 56 1.020 34.419 -11.917 1.00 0.00 C ATOM 693 C ASP A 56 1.813 33.895 -10.739 1.00 0.00 C ATOM 694 O ASP A 56 2.140 32.714 -10.676 1.00 0.00 O ATOM 695 CB ASP A 56 1.948 35.096 -12.923 1.00 0.00 C ATOM 696 CG ASP A 56 1.300 35.274 -14.277 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.634 34.501 -15.203 1.00 0.00 O ATOM 698 OD2 ASP A 56 0.445 36.175 -14.424 1.00 0.00 O ATOM 0 H ASP A 56 0.096 36.298 -11.755 1.00 0.00 H new ATOM 0 HA ASP A 56 0.540 33.575 -12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.249 36.070 -12.537 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.855 34.502 -13.033 1.00 0.00 H new ATOM 703 N SER A 57 2.091 34.769 -9.795 1.00 0.00 N ATOM 704 CA SER A 57 2.840 34.401 -8.608 1.00 0.00 C ATOM 705 C SER A 57 1.894 34.036 -7.468 1.00 0.00 C ATOM 706 O SER A 57 2.297 33.952 -6.308 1.00 0.00 O ATOM 707 CB SER A 57 3.749 35.555 -8.194 1.00 0.00 C ATOM 708 OG SER A 57 4.616 35.910 -9.259 1.00 0.00 O ATOM 0 H SER A 57 1.807 35.748 -9.826 1.00 0.00 H new ATOM 0 HA SER A 57 3.452 33.528 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.146 36.416 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.335 35.269 -7.320 1.00 0.00 H new ATOM 0 HG SER A 57 5.191 36.652 -8.979 1.00 0.00 H new ATOM 714 N CYS A 58 0.642 33.806 -7.810 1.00 0.00 N ATOM 715 CA CYS A 58 -0.359 33.472 -6.838 1.00 0.00 C ATOM 716 C CYS A 58 -0.347 31.984 -6.568 1.00 0.00 C ATOM 717 O CYS A 58 -0.258 31.172 -7.492 1.00 0.00 O ATOM 718 CB CYS A 58 -1.736 33.926 -7.318 1.00 0.00 C ATOM 719 SG CYS A 58 -3.023 33.838 -6.066 1.00 0.00 S ATOM 0 H CYS A 58 0.298 33.847 -8.770 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.135 33.992 -5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.663 34.953 -7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.031 33.313 -8.169 1.00 0.00 H new ATOM 724 N LYS A 59 -0.411 31.635 -5.306 1.00 0.00 N ATOM 725 CA LYS A 59 -0.392 30.247 -4.890 1.00 0.00 C ATOM 726 C LYS A 59 -1.730 29.863 -4.281 1.00 0.00 C ATOM 727 O LYS A 59 -1.982 28.695 -3.981 1.00 0.00 O ATOM 728 CB LYS A 59 0.732 30.036 -3.877 1.00 0.00 C ATOM 729 CG LYS A 59 2.126 30.242 -4.455 1.00 0.00 C ATOM 730 CD LYS A 59 3.153 30.450 -3.356 1.00 0.00 C ATOM 731 CE LYS A 59 4.573 30.405 -3.902 1.00 0.00 C ATOM 732 NZ LYS A 59 5.589 30.675 -2.848 1.00 0.00 N ATOM 0 H LYS A 59 -0.478 32.301 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.215 29.613 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.590 30.722 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.661 29.025 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.404 29.377 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.122 31.105 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.979 31.411 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.031 29.681 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.760 29.426 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.677 31.139 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.541 30.634 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.428 31.620 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.509 29.960 -2.097 1.00 0.00 H new ATOM 746 N CYS A 60 -2.586 30.850 -4.123 1.00 0.00 N ATOM 747 CA CYS A 60 -3.888 30.657 -3.522 1.00 0.00 C ATOM 748 C CYS A 60 -4.854 30.018 -4.514 1.00 0.00 C ATOM 749 O CYS A 60 -4.660 30.116 -5.729 1.00 0.00 O ATOM 750 CB CYS A 60 -4.421 31.999 -3.056 1.00 0.00 C ATOM 751 SG CYS A 60 -3.202 32.972 -2.152 1.00 0.00 S ATOM 0 H CYS A 60 -2.398 31.811 -4.408 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.793 29.984 -2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.761 32.568 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.291 31.836 -2.420 1.00 0.00 H new ATOM 756 N GLY A 61 -5.891 29.378 -3.997 1.00 0.00 N ATOM 757 CA GLY A 61 -6.857 28.718 -4.850 1.00 0.00 C ATOM 758 C GLY A 61 -7.946 29.659 -5.324 1.00 0.00 C ATOM 759 O GLY A 61 -7.698 30.544 -6.141 1.00 0.00 O ATOM 0 H GLY A 61 -6.082 29.304 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.345 28.294 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.309 27.887 -4.308 1.00 0.00 H new ATOM 763 N SER A 62 -9.143 29.478 -4.809 1.00 0.00 N ATOM 764 CA SER A 62 -10.277 30.302 -5.198 1.00 0.00 C ATOM 765 C SER A 62 -11.086 30.748 -3.981 1.00 0.00 C ATOM 766 O SER A 62 -12.050 31.492 -4.113 1.00 0.00 O ATOM 767 CB SER A 62 -11.182 29.527 -6.154 1.00 0.00 C ATOM 768 OG SER A 62 -10.440 28.979 -7.234 1.00 0.00 O ATOM 0 H SER A 62 -9.361 28.763 -4.115 1.00 0.00 H new ATOM 0 HA SER A 62 -9.888 31.190 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.686 28.726 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.958 30.188 -6.541 1.00 0.00 H new ATOM 0 HG SER A 62 -10.877 29.207 -8.081 1.00 0.00 H new ATOM 774 N SER A 63 -10.690 30.301 -2.800 1.00 0.00 N ATOM 775 CA SER A 63 -11.423 30.637 -1.587 1.00 0.00 C ATOM 776 C SER A 63 -10.669 31.666 -0.745 1.00 0.00 C ATOM 777 O SER A 63 -11.089 32.010 0.359 1.00 0.00 O ATOM 778 CB SER A 63 -11.688 29.372 -0.770 1.00 0.00 C ATOM 779 OG SER A 63 -12.320 28.380 -1.567 1.00 0.00 O ATOM 0 H SER A 63 -9.872 29.709 -2.654 1.00 0.00 H new ATOM 0 HA SER A 63 -12.374 31.082 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.748 28.984 -0.376 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.318 29.612 0.087 1.00 0.00 H new ATOM 0 HG SER A 63 -12.479 27.578 -1.026 1.00 0.00 H new ATOM 785 N CYS A 64 -9.559 32.161 -1.273 1.00 0.00 N ATOM 786 CA CYS A 64 -8.763 33.142 -0.560 1.00 0.00 C ATOM 787 C CYS A 64 -9.339 34.540 -0.762 1.00 0.00 C ATOM 788 O CYS A 64 -10.179 34.753 -1.643 1.00 0.00 O ATOM 789 CB CYS A 64 -7.303 33.087 -1.017 1.00 0.00 C ATOM 790 SG CYS A 64 -6.173 34.064 0.001 1.00 0.00 S ATOM 0 H CYS A 64 -9.193 31.899 -2.188 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.795 32.906 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.972 32.049 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.243 33.438 -2.047 1.00 0.00 H new ATOM 795 N SER A 65 -8.878 35.488 0.037 1.00 0.00 N ATOM 796 CA SER A 65 -9.384 36.848 -0.010 1.00 0.00 C ATOM 797 C SER A 65 -8.947 37.574 -1.287 1.00 0.00 C ATOM 798 O SER A 65 -9.510 38.607 -1.640 1.00 0.00 O ATOM 799 CB SER A 65 -8.933 37.627 1.233 1.00 0.00 C ATOM 800 OG SER A 65 -9.567 38.890 1.311 1.00 0.00 O ATOM 0 H SER A 65 -8.147 35.337 0.732 1.00 0.00 H new ATOM 0 HA SER A 65 -10.473 36.796 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.160 37.049 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.852 37.762 1.207 1.00 0.00 H new ATOM 0 HG SER A 65 -9.670 39.261 0.410 1.00 0.00 H new ATOM 806 N CYS A 66 -7.946 37.043 -1.979 1.00 0.00 N ATOM 807 CA CYS A 66 -7.488 37.670 -3.206 1.00 0.00 C ATOM 808 C CYS A 66 -8.262 37.154 -4.415 1.00 0.00 C ATOM 809 O CYS A 66 -8.003 37.559 -5.545 1.00 0.00 O ATOM 810 CB CYS A 66 -5.978 37.476 -3.405 1.00 0.00 C ATOM 811 SG CYS A 66 -5.410 35.760 -3.426 1.00 0.00 S ATOM 0 H CYS A 66 -7.445 36.194 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.680 38.739 -3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.689 37.947 -4.344 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.453 38.004 -2.609 1.00 0.00 H new ATOM 816 N LYS A 67 -9.229 36.279 -4.173 1.00 0.00 N ATOM 817 CA LYS A 67 -10.025 35.701 -5.253 1.00 0.00 C ATOM 818 C LYS A 67 -11.479 36.145 -5.153 1.00 0.00 C ATOM 819 O LYS A 67 -12.147 35.744 -4.161 1.00 0.00 O ATOM 820 CB LYS A 67 -9.931 34.168 -5.234 1.00 0.00 C ATOM 821 CG LYS A 67 -8.501 33.642 -5.197 1.00 0.00 C ATOM 822 CD LYS A 67 -7.668 34.219 -6.330 1.00 0.00 C ATOM 823 CE LYS A 67 -6.210 33.842 -6.191 1.00 0.00 C ATOM 824 NZ LYS A 67 -5.927 32.476 -6.683 1.00 0.00 N ATOM 0 H LYS A 67 -9.483 35.953 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.622 36.061 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.470 33.791 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.432 33.771 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.043 33.896 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.510 32.554 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.049 33.857 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.765 35.305 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.599 34.557 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.918 33.915 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.165 32.054 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.784 31.893 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.633 32.520 -7.680 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -16.198 29.516 -13.803 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.875 32.941 -15.259 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.766 32.480 -11.566 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.346 35.903 -4.811 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -4.530 34.906 -1.482 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.103 37.985 -2.007 1.00 0.00 ZN