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 Set 1.1: A 37 LYS NZ :NH3+ -160:sc= 0.666 (180deg=-0.216) USER MOD Set 1.2: A 62 SER OG : rot 130:sc= 0.996 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.118 (180deg=-0.118) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 20 GLN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 23 SER OG : rot 85:sc= 1.01 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0346) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 32 THR OG1 : rot 15:sc= 1.09 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 40 ASN : amide:sc= -0.301 X(o=-0.3,f=0.027) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -0.923 (180deg=-3!) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -0.0704 (180deg=-0.721) USER MOD Single : A 53 THR OG1 : rot 18:sc= 0.625 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 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= 1.45 (180deg=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.387 8.227 -10.505 1.00 0.00 N ATOM 2 CA GLY A 1 -11.706 7.844 -9.242 1.00 0.00 C ATOM 3 C GLY A 1 -10.713 8.892 -8.775 1.00 0.00 C ATOM 4 O GLY A 1 -10.070 8.729 -7.737 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.054 7.478 -10.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.905 9.118 -10.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.679 8.354 -11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.453 7.684 -8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.188 6.896 -9.386 1.00 0.00 H new ATOM 7 N SER A 2 -10.592 9.970 -9.537 1.00 0.00 N ATOM 8 CA SER A 2 -9.659 11.043 -9.211 1.00 0.00 C ATOM 9 C SER A 2 -10.365 12.174 -8.460 1.00 0.00 C ATOM 10 O SER A 2 -9.734 13.147 -8.033 1.00 0.00 O ATOM 11 CB SER A 2 -9.027 11.583 -10.493 1.00 0.00 C ATOM 12 OG SER A 2 -8.491 10.526 -11.274 1.00 0.00 O ATOM 0 H SER A 2 -11.130 10.126 -10.389 1.00 0.00 H new ATOM 0 HA SER A 2 -8.881 10.639 -8.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.774 12.126 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.239 12.293 -10.244 1.00 0.00 H new ATOM 0 HG SER A 2 -8.093 10.892 -12.091 1.00 0.00 H new ATOM 18 N GLY A 3 -11.665 12.033 -8.296 1.00 0.00 N ATOM 19 CA GLY A 3 -12.450 13.047 -7.640 1.00 0.00 C ATOM 20 C GLY A 3 -13.446 13.662 -8.591 1.00 0.00 C ATOM 21 O GLY A 3 -13.058 14.221 -9.624 1.00 0.00 O ATOM 0 H GLY A 3 -12.197 11.222 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.975 12.612 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.793 13.822 -7.246 1.00 0.00 H new ATOM 25 N LYS A 4 -14.724 13.548 -8.265 1.00 0.00 N ATOM 26 CA LYS A 4 -15.780 14.077 -9.114 1.00 0.00 C ATOM 27 C LYS A 4 -15.800 15.603 -9.091 1.00 0.00 C ATOM 28 O LYS A 4 -16.522 16.225 -8.305 1.00 0.00 O ATOM 29 CB LYS A 4 -17.147 13.509 -8.709 1.00 0.00 C ATOM 30 CG LYS A 4 -17.258 11.999 -8.888 1.00 0.00 C ATOM 31 CD LYS A 4 -18.654 11.483 -8.555 1.00 0.00 C ATOM 32 CE LYS A 4 -19.008 11.704 -7.091 1.00 0.00 C ATOM 33 NZ LYS A 4 -20.352 11.165 -6.761 1.00 0.00 N ATOM 0 H LYS A 4 -15.056 13.092 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.569 13.762 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.340 13.758 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.923 13.995 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.011 11.737 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.527 11.504 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.387 11.987 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.712 10.419 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.259 11.225 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.979 12.770 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.557 11.335 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.069 11.640 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.372 10.143 -6.951 1.00 0.00 H new ATOM 47 N GLY A 5 -14.977 16.192 -9.932 1.00 0.00 N ATOM 48 CA GLY A 5 -14.907 17.629 -10.035 1.00 0.00 C ATOM 49 C GLY A 5 -14.248 18.056 -11.322 1.00 0.00 C ATOM 50 O GLY A 5 -13.675 19.144 -11.407 1.00 0.00 O ATOM 0 H GLY A 5 -14.345 15.692 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.912 18.049 -9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.349 18.029 -9.188 1.00 0.00 H new ATOM 54 N LYS A 6 -14.319 17.190 -12.327 1.00 0.00 N ATOM 55 CA LYS A 6 -13.721 17.465 -13.628 1.00 0.00 C ATOM 56 C LYS A 6 -14.592 18.423 -14.405 1.00 0.00 C ATOM 57 O LYS A 6 -14.138 19.085 -15.341 1.00 0.00 O ATOM 58 CB LYS A 6 -13.551 16.174 -14.424 1.00 0.00 C ATOM 59 CG LYS A 6 -12.598 15.178 -13.798 1.00 0.00 C ATOM 60 CD LYS A 6 -12.492 13.928 -14.646 1.00 0.00 C ATOM 61 CE LYS A 6 -11.481 12.951 -14.078 1.00 0.00 C ATOM 62 NZ LYS A 6 -11.385 11.718 -14.901 1.00 0.00 N ATOM 0 H LYS A 6 -14.788 16.286 -12.264 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.740 17.913 -13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.526 15.702 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.195 16.421 -15.424 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.613 15.631 -13.686 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.944 14.916 -12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.468 13.447 -14.709 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.205 14.200 -15.662 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.503 13.430 -14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.763 12.687 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.684 11.074 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.312 11.248 -14.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.091 11.967 -15.867 1.00 0.00 H new ATOM 76 N GLY A 7 -15.849 18.481 -14.016 1.00 0.00 N ATOM 77 CA GLY A 7 -16.779 19.362 -14.655 1.00 0.00 C ATOM 78 C GLY A 7 -16.451 20.808 -14.403 1.00 0.00 C ATOM 79 O GLY A 7 -15.914 21.157 -13.346 1.00 0.00 O ATOM 0 H GLY A 7 -16.242 17.923 -13.258 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.779 19.172 -15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.785 19.150 -14.294 1.00 0.00 H new ATOM 83 N GLU A 8 -16.761 21.646 -15.371 1.00 0.00 N ATOM 84 CA GLU A 8 -16.516 23.070 -15.260 1.00 0.00 C ATOM 85 C GLU A 8 -17.412 23.664 -14.182 1.00 0.00 C ATOM 86 O GLU A 8 -16.968 24.470 -13.364 1.00 0.00 O ATOM 87 CB GLU A 8 -16.806 23.741 -16.596 1.00 0.00 C ATOM 88 CG GLU A 8 -16.031 23.153 -17.765 1.00 0.00 C ATOM 89 CD GLU A 8 -14.576 23.562 -17.782 1.00 0.00 C ATOM 90 OE1 GLU A 8 -13.713 22.735 -17.402 1.00 0.00 O ATOM 91 OE2 GLU A 8 -14.287 24.705 -18.199 1.00 0.00 O ATOM 0 H GLU A 8 -17.188 21.362 -16.253 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.473 23.237 -14.990 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.873 23.664 -16.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.573 24.803 -16.516 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.095 22.066 -17.725 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.500 23.466 -18.698 1.00 0.00 H new ATOM 98 N LYS A 9 -18.684 23.239 -14.198 1.00 0.00 N ATOM 99 CA LYS A 9 -19.694 23.702 -13.238 1.00 0.00 C ATOM 100 C LYS A 9 -19.864 25.211 -13.304 1.00 0.00 C ATOM 101 O LYS A 9 -20.193 25.855 -12.312 1.00 0.00 O ATOM 102 CB LYS A 9 -19.339 23.265 -11.812 1.00 0.00 C ATOM 103 CG LYS A 9 -19.349 21.757 -11.611 1.00 0.00 C ATOM 104 CD LYS A 9 -19.209 21.386 -10.141 1.00 0.00 C ATOM 105 CE LYS A 9 -17.884 21.852 -9.561 1.00 0.00 C ATOM 106 NZ LYS A 9 -17.762 21.509 -8.122 1.00 0.00 N ATOM 0 H LYS A 9 -19.040 22.566 -14.876 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.643 23.241 -13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.351 23.649 -11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.045 23.719 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.278 21.343 -12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.534 21.308 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.029 21.829 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -19.293 20.305 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.064 21.395 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.791 22.931 -9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.845 21.843 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.530 21.966 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.825 20.478 -8.004 1.00 0.00 H new ATOM 120 N CYS A 10 -19.658 25.762 -14.479 1.00 0.00 N ATOM 121 CA CYS A 10 -19.779 27.183 -14.670 1.00 0.00 C ATOM 122 C CYS A 10 -21.200 27.591 -14.952 1.00 0.00 C ATOM 123 O CYS A 10 -21.999 26.813 -15.482 1.00 0.00 O ATOM 124 CB CYS A 10 -18.847 27.655 -15.765 1.00 0.00 C ATOM 125 SG CYS A 10 -17.117 27.536 -15.309 1.00 0.00 S ATOM 0 H CYS A 10 -19.405 25.241 -15.319 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.487 27.667 -13.738 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -19.022 27.064 -16.664 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -19.082 28.690 -16.014 1.00 0.00 H new ATOM 130 N THR A 11 -21.505 28.811 -14.598 1.00 0.00 N ATOM 131 CA THR A 11 -22.825 29.348 -14.741 1.00 0.00 C ATOM 132 C THR A 11 -22.979 30.055 -16.080 1.00 0.00 C ATOM 133 O THR A 11 -22.012 30.184 -16.840 1.00 0.00 O ATOM 134 CB THR A 11 -23.088 30.348 -13.616 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.136 31.422 -13.711 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.948 29.668 -12.263 1.00 0.00 C ATOM 0 H THR A 11 -20.833 29.465 -14.198 1.00 0.00 H new ATOM 0 HA THR A 11 -23.540 28.527 -14.693 1.00 0.00 H new ATOM 0 HB THR A 11 -24.102 30.737 -13.712 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.300 32.069 -12.993 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.138 30.392 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.667 28.852 -12.190 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.938 29.272 -12.158 1.00 0.00 H new ATOM 144 N SER A 12 -24.186 30.529 -16.361 1.00 0.00 N ATOM 145 CA SER A 12 -24.456 31.252 -17.590 1.00 0.00 C ATOM 146 C SER A 12 -23.716 32.587 -17.586 1.00 0.00 C ATOM 147 O SER A 12 -23.461 33.174 -18.632 1.00 0.00 O ATOM 148 CB SER A 12 -25.959 31.482 -17.731 1.00 0.00 C ATOM 149 OG SER A 12 -26.675 30.272 -17.527 1.00 0.00 O ATOM 0 H SER A 12 -24.995 30.423 -15.749 1.00 0.00 H new ATOM 0 HA SER A 12 -24.105 30.662 -18.437 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.286 32.230 -17.009 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.180 31.878 -18.722 1.00 0.00 H new ATOM 0 HG SER A 12 -27.636 30.441 -17.620 1.00 0.00 H new ATOM 155 N ALA A 13 -23.369 33.051 -16.392 1.00 0.00 N ATOM 156 CA ALA A 13 -22.639 34.290 -16.234 1.00 0.00 C ATOM 157 C ALA A 13 -21.187 34.103 -16.643 1.00 0.00 C ATOM 158 O ALA A 13 -20.636 34.900 -17.403 1.00 0.00 O ATOM 159 CB ALA A 13 -22.727 34.768 -14.798 1.00 0.00 C ATOM 0 H ALA A 13 -23.587 32.578 -15.515 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.085 35.045 -16.881 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.174 35.701 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.771 34.932 -14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.299 34.015 -14.137 1.00 0.00 H new ATOM 165 N CYS A 14 -20.577 33.039 -16.150 1.00 0.00 N ATOM 166 CA CYS A 14 -19.189 32.731 -16.468 1.00 0.00 C ATOM 167 C CYS A 14 -19.066 32.383 -17.952 1.00 0.00 C ATOM 168 O CYS A 14 -18.077 32.710 -18.607 1.00 0.00 O ATOM 169 CB CYS A 14 -18.696 31.568 -15.592 1.00 0.00 C ATOM 170 SG CYS A 14 -16.897 31.355 -15.533 1.00 0.00 S ATOM 0 H CYS A 14 -21.023 32.369 -15.524 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.567 33.602 -16.262 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.061 31.719 -14.576 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.143 30.644 -15.958 1.00 0.00 H new ATOM 175 N ARG A 15 -20.105 31.759 -18.487 1.00 0.00 N ATOM 176 CA ARG A 15 -20.127 31.367 -19.888 1.00 0.00 C ATOM 177 C ARG A 15 -20.739 32.453 -20.773 1.00 0.00 C ATOM 178 O ARG A 15 -21.184 32.175 -21.887 1.00 0.00 O ATOM 179 CB ARG A 15 -20.895 30.058 -20.068 1.00 0.00 C ATOM 180 CG ARG A 15 -20.219 28.846 -19.446 1.00 0.00 C ATOM 181 CD ARG A 15 -18.780 28.714 -19.919 1.00 0.00 C ATOM 182 NE ARG A 15 -18.225 27.396 -19.621 1.00 0.00 N ATOM 183 CZ ARG A 15 -16.939 27.153 -19.346 1.00 0.00 C ATOM 184 NH1 ARG A 15 -16.071 28.151 -19.235 1.00 0.00 N ATOM 185 NH2 ARG A 15 -16.534 25.910 -19.166 1.00 0.00 N ATOM 0 H ARG A 15 -20.948 31.512 -17.969 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.092 31.223 -20.198 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -21.888 30.170 -19.632 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.034 29.875 -21.134 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.241 28.932 -18.360 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.774 27.944 -19.705 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.734 28.892 -20.993 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.170 29.481 -19.442 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.866 26.602 -19.623 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.383 29.114 -19.360 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.092 27.955 -19.025 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.200 25.141 -19.237 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.554 25.718 -18.956 1.00 0.00 H new ATOM 199 N SER A 16 -20.751 33.683 -20.292 1.00 0.00 N ATOM 200 CA SER A 16 -21.281 34.780 -21.072 1.00 0.00 C ATOM 201 C SER A 16 -20.144 35.477 -21.829 1.00 0.00 C ATOM 202 O SER A 16 -18.978 35.065 -21.733 1.00 0.00 O ATOM 203 CB SER A 16 -22.025 35.771 -20.166 1.00 0.00 C ATOM 204 OG SER A 16 -22.781 36.703 -20.929 1.00 0.00 O ATOM 0 H SER A 16 -20.401 33.944 -19.370 1.00 0.00 H new ATOM 0 HA SER A 16 -21.993 34.389 -21.799 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.688 35.226 -19.494 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.308 36.305 -19.542 1.00 0.00 H new ATOM 0 HG SER A 16 -23.245 37.320 -20.325 1.00 0.00 H new ATOM 210 N GLU A 17 -20.477 36.522 -22.564 1.00 0.00 N ATOM 211 CA GLU A 17 -19.499 37.246 -23.353 1.00 0.00 C ATOM 212 C GLU A 17 -19.603 38.767 -23.116 1.00 0.00 C ATOM 213 O GLU A 17 -20.506 39.423 -23.633 1.00 0.00 O ATOM 214 CB GLU A 17 -19.682 36.919 -24.838 1.00 0.00 C ATOM 215 CG GLU A 17 -21.123 37.024 -25.315 1.00 0.00 C ATOM 216 CD GLU A 17 -21.262 36.825 -26.799 1.00 0.00 C ATOM 217 OE1 GLU A 17 -21.590 35.702 -27.225 1.00 0.00 O ATOM 218 OE2 GLU A 17 -21.055 37.796 -27.548 1.00 0.00 O ATOM 0 H GLU A 17 -21.426 36.890 -22.631 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.504 36.931 -23.039 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.063 37.595 -25.429 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.319 35.908 -25.026 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.728 36.281 -24.795 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.520 38.003 -25.046 1.00 0.00 H new ATOM 225 N PRO A 18 -18.701 39.349 -22.308 1.00 0.00 N ATOM 226 CA PRO A 18 -17.637 38.618 -21.624 1.00 0.00 C ATOM 227 C PRO A 18 -18.156 37.955 -20.357 1.00 0.00 C ATOM 228 O PRO A 18 -19.355 38.001 -20.074 1.00 0.00 O ATOM 229 CB PRO A 18 -16.641 39.720 -21.277 1.00 0.00 C ATOM 230 CG PRO A 18 -17.482 40.930 -21.068 1.00 0.00 C ATOM 231 CD PRO A 18 -18.665 40.789 -21.991 1.00 0.00 C ATOM 0 HA PRO A 18 -17.212 37.816 -22.228 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.072 39.473 -20.381 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.921 39.871 -22.081 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.806 41.004 -20.030 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.920 41.837 -21.292 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -19.587 41.115 -21.510 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.544 41.393 -22.890 1.00 0.00 H new ATOM 239 N CYS A 19 -17.265 37.350 -19.597 1.00 0.00 N ATOM 240 CA CYS A 19 -17.657 36.683 -18.375 1.00 0.00 C ATOM 241 C CYS A 19 -18.318 37.662 -17.411 1.00 0.00 C ATOM 242 O CYS A 19 -17.780 38.728 -17.123 1.00 0.00 O ATOM 243 CB CYS A 19 -16.463 36.020 -17.709 1.00 0.00 C ATOM 244 SG CYS A 19 -16.875 35.186 -16.166 1.00 0.00 S ATOM 0 H CYS A 19 -16.267 37.307 -19.805 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.380 35.910 -18.637 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.027 35.297 -18.399 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.701 36.774 -17.513 1.00 0.00 H new ATOM 249 N GLN A 20 -19.489 37.299 -16.941 1.00 0.00 N ATOM 250 CA GLN A 20 -20.254 38.128 -16.023 1.00 0.00 C ATOM 251 C GLN A 20 -20.309 37.452 -14.668 1.00 0.00 C ATOM 252 O GLN A 20 -21.143 37.784 -13.816 1.00 0.00 O ATOM 253 CB GLN A 20 -21.668 38.319 -16.564 1.00 0.00 C ATOM 254 CG GLN A 20 -21.712 38.839 -17.989 1.00 0.00 C ATOM 255 CD GLN A 20 -21.277 40.292 -18.107 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.097 41.206 -18.034 1.00 0.00 O ATOM 257 NE2 GLN A 20 -19.990 40.513 -18.295 1.00 0.00 N ATOM 0 H GLN A 20 -19.944 36.419 -17.182 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.776 39.103 -15.923 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.197 37.367 -16.518 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.204 39.013 -15.917 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.068 38.221 -18.615 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -22.726 38.737 -18.376 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.341 39.728 -18.350 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.644 41.468 -18.385 1.00 0.00 H new ATOM 266 N CYS A 21 -19.405 36.507 -14.474 1.00 0.00 N ATOM 267 CA CYS A 21 -19.348 35.717 -13.256 1.00 0.00 C ATOM 268 C CYS A 21 -19.009 36.581 -12.051 1.00 0.00 C ATOM 269 O CYS A 21 -19.347 36.240 -10.943 1.00 0.00 O ATOM 270 CB CYS A 21 -18.305 34.630 -13.402 1.00 0.00 C ATOM 271 SG CYS A 21 -18.741 33.071 -12.640 1.00 0.00 S ATOM 0 H CYS A 21 -18.688 36.265 -15.158 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.331 35.274 -13.095 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.121 34.462 -14.463 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.369 34.982 -12.968 1.00 0.00 H new ATOM 276 N GLY A 22 -18.371 37.725 -12.289 1.00 0.00 N ATOM 277 CA GLY A 22 -17.954 38.607 -11.194 1.00 0.00 C ATOM 278 C GLY A 22 -19.106 39.064 -10.300 1.00 0.00 C ATOM 279 O GLY A 22 -18.883 39.620 -9.224 1.00 0.00 O ATOM 0 H GLY A 22 -18.132 38.064 -13.221 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.215 38.088 -10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.461 39.484 -11.613 1.00 0.00 H new ATOM 283 N SER A 23 -20.330 38.830 -10.744 1.00 0.00 N ATOM 284 CA SER A 23 -21.507 39.196 -9.983 1.00 0.00 C ATOM 285 C SER A 23 -21.637 38.327 -8.713 1.00 0.00 C ATOM 286 O SER A 23 -22.077 38.807 -7.665 1.00 0.00 O ATOM 287 CB SER A 23 -22.744 39.049 -10.861 1.00 0.00 C ATOM 288 OG SER A 23 -22.512 39.598 -12.153 1.00 0.00 O ATOM 0 H SER A 23 -20.532 38.383 -11.638 1.00 0.00 H new ATOM 0 HA SER A 23 -21.412 40.234 -9.665 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.009 37.996 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.590 39.552 -10.393 1.00 0.00 H new ATOM 0 HG SER A 23 -22.077 38.928 -12.720 1.00 0.00 H new ATOM 294 N LYS A 24 -21.245 37.051 -8.825 1.00 0.00 N ATOM 295 CA LYS A 24 -21.285 36.097 -7.697 1.00 0.00 C ATOM 296 C LYS A 24 -20.128 35.116 -7.794 1.00 0.00 C ATOM 297 O LYS A 24 -19.475 34.802 -6.795 1.00 0.00 O ATOM 298 CB LYS A 24 -22.604 35.306 -7.673 1.00 0.00 C ATOM 299 CG LYS A 24 -23.839 36.135 -7.370 1.00 0.00 C ATOM 300 CD LYS A 24 -25.070 35.254 -7.254 1.00 0.00 C ATOM 301 CE LYS A 24 -26.332 36.074 -7.061 1.00 0.00 C ATOM 302 NZ LYS A 24 -26.336 36.805 -5.771 1.00 0.00 N ATOM 0 H LYS A 24 -20.892 36.648 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 24 -21.207 36.679 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -22.738 34.821 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.523 34.515 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -23.693 36.686 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.988 36.873 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -25.167 34.644 -8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -24.949 34.569 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -26.429 36.787 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -27.200 35.417 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -27.251 37.282 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.186 36.134 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.574 37.513 -5.771 1.00 0.00 H new ATOM 316 N CYS A 25 -19.896 34.636 -9.011 1.00 0.00 N ATOM 317 CA CYS A 25 -18.852 33.676 -9.313 1.00 0.00 C ATOM 318 C CYS A 25 -19.187 32.364 -8.658 1.00 0.00 C ATOM 319 O CYS A 25 -18.618 31.985 -7.627 1.00 0.00 O ATOM 320 CB CYS A 25 -17.467 34.187 -8.897 1.00 0.00 C ATOM 321 SG CYS A 25 -16.095 33.273 -9.629 1.00 0.00 S ATOM 0 H CYS A 25 -20.441 34.912 -9.828 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.805 33.531 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -17.380 35.237 -9.176 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -17.384 34.138 -7.811 1.00 0.00 H new ATOM 326 N GLN A 26 -20.153 31.694 -9.241 1.00 0.00 N ATOM 327 CA GLN A 26 -20.669 30.471 -8.695 1.00 0.00 C ATOM 328 C GLN A 26 -20.168 29.270 -9.487 1.00 0.00 C ATOM 329 O GLN A 26 -20.645 28.145 -9.304 1.00 0.00 O ATOM 330 CB GLN A 26 -22.188 30.524 -8.724 1.00 0.00 C ATOM 331 CG GLN A 26 -22.840 29.768 -7.604 1.00 0.00 C ATOM 332 CD GLN A 26 -24.349 29.759 -7.706 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.916 29.859 -8.800 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.008 29.623 -6.577 1.00 0.00 N ATOM 0 H GLN A 26 -20.601 31.986 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.322 30.361 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.507 31.565 -8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.539 30.122 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.474 28.741 -7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.547 30.212 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.500 29.544 -5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.028 29.597 -6.582 1.00 0.00 H new ATOM 343 N CYS A 27 -19.212 29.508 -10.362 1.00 0.00 N ATOM 344 CA CYS A 27 -18.652 28.444 -11.179 1.00 0.00 C ATOM 345 C CYS A 27 -17.703 27.563 -10.361 1.00 0.00 C ATOM 346 O CYS A 27 -17.517 27.770 -9.153 1.00 0.00 O ATOM 347 CB CYS A 27 -17.896 29.036 -12.359 1.00 0.00 C ATOM 348 SG CYS A 27 -16.380 29.889 -11.896 1.00 0.00 S ATOM 0 H CYS A 27 -18.805 30.428 -10.528 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.476 27.829 -11.540 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.653 28.238 -13.060 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.549 29.734 -12.884 1.00 0.00 H new ATOM 353 N GLY A 28 -17.120 26.580 -11.021 1.00 0.00 N ATOM 354 CA GLY A 28 -16.160 25.714 -10.373 1.00 0.00 C ATOM 355 C GLY A 28 -14.733 26.209 -10.558 1.00 0.00 C ATOM 356 O GLY A 28 -14.472 27.415 -10.515 1.00 0.00 O ATOM 0 H GLY A 28 -17.295 26.364 -12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.388 25.652 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.250 24.706 -10.777 1.00 0.00 H new ATOM 360 N GLU A 29 -13.804 25.287 -10.758 1.00 0.00 N ATOM 361 CA GLU A 29 -12.407 25.653 -10.964 1.00 0.00 C ATOM 362 C GLU A 29 -11.892 25.089 -12.273 1.00 0.00 C ATOM 363 O GLU A 29 -10.688 25.093 -12.540 1.00 0.00 O ATOM 364 CB GLU A 29 -11.511 25.177 -9.803 1.00 0.00 C ATOM 365 CG GLU A 29 -11.762 25.862 -8.459 1.00 0.00 C ATOM 366 CD GLU A 29 -13.042 25.413 -7.790 1.00 0.00 C ATOM 367 OE1 GLU A 29 -13.158 24.205 -7.467 1.00 0.00 O ATOM 368 OE2 GLU A 29 -13.930 26.257 -7.566 1.00 0.00 O ATOM 0 H GLU A 29 -13.988 24.284 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.364 26.742 -11.000 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.649 24.103 -9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.469 25.333 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.922 25.661 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.798 26.941 -8.610 1.00 0.00 H new ATOM 375 N GLY A 30 -12.804 24.642 -13.094 1.00 0.00 N ATOM 376 CA GLY A 30 -12.434 24.033 -14.351 1.00 0.00 C ATOM 377 C GLY A 30 -12.205 25.041 -15.457 1.00 0.00 C ATOM 378 O GLY A 30 -11.374 24.825 -16.331 1.00 0.00 O ATOM 0 H GLY A 30 -13.808 24.686 -12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.527 23.446 -14.210 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.218 23.340 -14.656 1.00 0.00 H new ATOM 382 N CYS A 31 -12.917 26.153 -15.399 1.00 0.00 N ATOM 383 CA CYS A 31 -12.847 27.167 -16.447 1.00 0.00 C ATOM 384 C CYS A 31 -11.493 27.857 -16.480 1.00 0.00 C ATOM 385 O CYS A 31 -11.008 28.234 -17.552 1.00 0.00 O ATOM 386 CB CYS A 31 -13.907 28.226 -16.210 1.00 0.00 C ATOM 387 SG CYS A 31 -13.566 29.260 -14.765 1.00 0.00 S ATOM 0 H CYS A 31 -13.554 26.381 -14.636 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.008 26.657 -17.397 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.983 28.860 -17.093 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.875 27.741 -16.082 1.00 0.00 H new ATOM 392 N THR A 32 -10.890 28.024 -15.291 1.00 0.00 N ATOM 393 CA THR A 32 -9.657 28.791 -15.118 1.00 0.00 C ATOM 394 C THR A 32 -9.821 30.196 -15.727 1.00 0.00 C ATOM 395 O THR A 32 -8.876 30.793 -16.247 1.00 0.00 O ATOM 396 CB THR A 32 -8.395 28.057 -15.681 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.553 27.724 -17.065 1.00 0.00 O ATOM 398 CG2 THR A 32 -8.136 26.784 -14.892 1.00 0.00 C ATOM 0 H THR A 32 -11.250 27.627 -14.423 1.00 0.00 H new ATOM 0 HA THR A 32 -9.482 28.891 -14.047 1.00 0.00 H new ATOM 0 HB THR A 32 -7.549 28.738 -15.582 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.311 28.222 -17.437 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.256 26.281 -15.292 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.967 27.033 -13.844 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.999 26.124 -14.973 1.00 0.00 H new ATOM 406 N CYS A 33 -11.058 30.700 -15.624 1.00 0.00 N ATOM 407 CA CYS A 33 -11.465 31.996 -16.148 1.00 0.00 C ATOM 408 C CYS A 33 -10.688 33.115 -15.460 1.00 0.00 C ATOM 409 O CYS A 33 -10.824 33.326 -14.264 1.00 0.00 O ATOM 410 CB CYS A 33 -12.976 32.176 -15.898 1.00 0.00 C ATOM 411 SG CYS A 33 -13.901 33.010 -17.213 1.00 0.00 S ATOM 0 H CYS A 33 -11.817 30.200 -15.161 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.255 32.040 -17.217 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.418 31.193 -15.737 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.107 32.740 -14.974 1.00 0.00 H new ATOM 416 N ALA A 34 -9.903 33.847 -16.228 1.00 0.00 N ATOM 417 CA ALA A 34 -9.066 34.916 -15.690 1.00 0.00 C ATOM 418 C ALA A 34 -9.845 36.219 -15.599 1.00 0.00 C ATOM 419 O ALA A 34 -9.268 37.310 -15.514 1.00 0.00 O ATOM 420 CB ALA A 34 -7.826 35.095 -16.551 1.00 0.00 C ATOM 0 H ALA A 34 -9.824 33.723 -17.237 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.756 34.637 -14.683 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.210 35.895 -16.140 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.255 34.167 -16.564 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.123 35.352 -17.568 1.00 0.00 H new ATOM 426 N ALA A 35 -11.152 36.097 -15.598 1.00 0.00 N ATOM 427 CA ALA A 35 -12.028 37.238 -15.512 1.00 0.00 C ATOM 428 C ALA A 35 -12.691 37.246 -14.164 1.00 0.00 C ATOM 429 O ALA A 35 -12.714 38.259 -13.473 1.00 0.00 O ATOM 430 CB ALA A 35 -13.068 37.195 -16.619 1.00 0.00 C ATOM 0 H ALA A 35 -11.637 35.202 -15.657 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.447 38.152 -15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.721 38.064 -16.539 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.569 37.204 -17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.661 36.286 -16.526 1.00 0.00 H new ATOM 436 N CYS A 36 -13.229 36.109 -13.792 1.00 0.00 N ATOM 437 CA CYS A 36 -13.854 35.956 -12.506 1.00 0.00 C ATOM 438 C CYS A 36 -12.865 35.392 -11.494 1.00 0.00 C ATOM 439 O CYS A 36 -12.799 35.844 -10.342 1.00 0.00 O ATOM 440 CB CYS A 36 -15.058 35.042 -12.633 1.00 0.00 C ATOM 441 SG CYS A 36 -14.676 33.391 -13.275 1.00 0.00 S ATOM 0 H CYS A 36 -13.245 35.269 -14.371 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.181 36.934 -12.152 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.526 34.939 -11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.790 35.514 -13.289 1.00 0.00 H new ATOM 446 N LYS A 37 -12.079 34.424 -11.933 1.00 0.00 N ATOM 447 CA LYS A 37 -11.120 33.779 -11.074 1.00 0.00 C ATOM 448 C LYS A 37 -9.728 34.353 -11.290 1.00 0.00 C ATOM 449 O LYS A 37 -8.962 33.866 -12.121 1.00 0.00 O ATOM 450 CB LYS A 37 -11.107 32.267 -11.312 1.00 0.00 C ATOM 451 CG LYS A 37 -12.483 31.616 -11.297 1.00 0.00 C ATOM 452 CD LYS A 37 -12.387 30.116 -11.531 1.00 0.00 C ATOM 453 CE LYS A 37 -11.711 29.416 -10.368 1.00 0.00 C ATOM 454 NZ LYS A 37 -12.531 29.478 -9.137 1.00 0.00 N ATOM 0 H LYS A 37 -12.092 34.070 -12.889 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.417 33.967 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.634 32.067 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.488 31.797 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.967 31.807 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.110 32.067 -12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.386 29.704 -11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.829 29.924 -12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.526 28.374 -10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.740 29.876 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.927 29.306 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.968 30.418 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.275 28.753 -9.179 1.00 0.00 H new ATOM 468 N THR A 38 -9.412 35.389 -10.558 1.00 0.00 N ATOM 469 CA THR A 38 -8.123 36.023 -10.662 1.00 0.00 C ATOM 470 C THR A 38 -7.682 36.519 -9.292 1.00 0.00 C ATOM 471 O THR A 38 -8.457 36.468 -8.333 1.00 0.00 O ATOM 472 CB THR A 38 -8.153 37.205 -11.676 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.834 37.742 -11.862 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.089 38.310 -11.201 1.00 0.00 C ATOM 0 H THR A 38 -10.038 35.816 -9.875 1.00 0.00 H new ATOM 0 HA THR A 38 -7.409 35.286 -11.029 1.00 0.00 H new ATOM 0 HB THR A 38 -8.522 36.817 -12.626 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.870 38.482 -12.503 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.091 39.123 -11.928 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.099 37.912 -11.099 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.748 38.686 -10.237 1.00 0.00 H new ATOM 482 N CYS A 39 -6.452 36.980 -9.200 1.00 0.00 N ATOM 483 CA CYS A 39 -5.920 37.484 -7.956 1.00 0.00 C ATOM 484 C CYS A 39 -6.154 38.988 -7.876 1.00 0.00 C ATOM 485 O CYS A 39 -5.914 39.711 -8.847 1.00 0.00 O ATOM 486 CB CYS A 39 -4.428 37.162 -7.852 1.00 0.00 C ATOM 487 SG CYS A 39 -3.693 37.520 -6.245 1.00 0.00 S ATOM 0 H CYS A 39 -5.798 37.015 -9.982 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.430 37.003 -7.122 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.281 36.106 -8.077 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.894 37.728 -8.615 1.00 0.00 H new ATOM 492 N ASN A 40 -6.633 39.457 -6.732 1.00 0.00 N ATOM 493 CA ASN A 40 -6.939 40.879 -6.562 1.00 0.00 C ATOM 494 C ASN A 40 -5.686 41.643 -6.185 1.00 0.00 C ATOM 495 O ASN A 40 -5.624 42.867 -6.310 1.00 0.00 O ATOM 496 CB ASN A 40 -7.995 41.092 -5.463 1.00 0.00 C ATOM 497 CG ASN A 40 -9.238 40.220 -5.606 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.858 39.852 -4.609 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.618 39.897 -6.826 1.00 0.00 N ATOM 0 H ASN A 40 -6.819 38.882 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.331 41.247 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.537 40.895 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.298 42.139 -5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.450 39.324 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.080 40.220 -7.630 1.00 0.00 H new ATOM 506 N CYS A 41 -4.692 40.910 -5.731 1.00 0.00 N ATOM 507 CA CYS A 41 -3.456 41.484 -5.254 1.00 0.00 C ATOM 508 C CYS A 41 -2.638 42.088 -6.380 1.00 0.00 C ATOM 509 O CYS A 41 -2.502 41.500 -7.451 1.00 0.00 O ATOM 510 CB CYS A 41 -2.655 40.415 -4.541 1.00 0.00 C ATOM 511 SG CYS A 41 -3.596 39.548 -3.273 1.00 0.00 S ATOM 0 H CYS A 41 -4.721 39.892 -5.683 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.699 42.292 -4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.293 39.693 -5.273 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.778 40.872 -4.084 1.00 0.00 H new ATOM 516 N THR A 42 -2.101 43.263 -6.131 1.00 0.00 N ATOM 517 CA THR A 42 -1.267 43.938 -7.090 1.00 0.00 C ATOM 518 C THR A 42 0.192 43.718 -6.725 1.00 0.00 C ATOM 519 O THR A 42 0.493 43.274 -5.615 1.00 0.00 O ATOM 520 CB THR A 42 -1.572 45.447 -7.123 1.00 0.00 C ATOM 521 OG1 THR A 42 -1.325 46.029 -5.834 1.00 0.00 O ATOM 522 CG2 THR A 42 -3.021 45.689 -7.512 1.00 0.00 C ATOM 0 H THR A 42 -2.233 43.773 -5.258 1.00 0.00 H new ATOM 0 HA THR A 42 -1.471 43.529 -8.079 1.00 0.00 H new ATOM 0 HB THR A 42 -0.921 45.911 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.520 46.989 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.219 46.761 -7.530 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.207 45.269 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.678 45.211 -6.785 1.00 0.00 H new ATOM 530 N SER A 43 1.094 44.025 -7.639 1.00 0.00 N ATOM 531 CA SER A 43 2.516 43.829 -7.399 1.00 0.00 C ATOM 532 C SER A 43 3.027 44.713 -6.260 1.00 0.00 C ATOM 533 O SER A 43 4.002 44.374 -5.582 1.00 0.00 O ATOM 534 CB SER A 43 3.309 44.094 -8.675 1.00 0.00 C ATOM 535 OG SER A 43 2.872 43.246 -9.732 1.00 0.00 O ATOM 0 H SER A 43 0.869 44.412 -8.556 1.00 0.00 H new ATOM 0 HA SER A 43 2.660 42.791 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.193 45.137 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.370 43.931 -8.488 1.00 0.00 H new ATOM 0 HG SER A 43 3.393 43.435 -10.540 1.00 0.00 H new ATOM 541 N ASP A 44 2.366 45.832 -6.048 1.00 0.00 N ATOM 542 CA ASP A 44 2.759 46.760 -5.003 1.00 0.00 C ATOM 543 C ASP A 44 2.095 46.425 -3.672 1.00 0.00 C ATOM 544 O ASP A 44 2.679 46.651 -2.606 1.00 0.00 O ATOM 545 CB ASP A 44 2.420 48.195 -5.406 1.00 0.00 C ATOM 546 CG ASP A 44 2.743 49.200 -4.318 1.00 0.00 C ATOM 547 OD1 ASP A 44 1.810 49.663 -3.629 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.930 49.540 -4.149 1.00 0.00 O ATOM 0 H ASP A 44 1.550 46.124 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 44 3.837 46.667 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.972 48.454 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.360 48.259 -5.650 1.00 0.00 H new ATOM 553 N GLY A 45 0.898 45.863 -3.722 1.00 0.00 N ATOM 554 CA GLY A 45 0.177 45.600 -2.498 1.00 0.00 C ATOM 555 C GLY A 45 -0.616 44.316 -2.525 1.00 0.00 C ATOM 556 O GLY A 45 -1.516 44.139 -3.352 1.00 0.00 O ATOM 0 H GLY A 45 0.418 45.587 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.885 45.562 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.500 46.431 -2.300 1.00 0.00 H new ATOM 560 N CYS A 46 -0.281 43.419 -1.623 1.00 0.00 N ATOM 561 CA CYS A 46 -0.984 42.168 -1.491 1.00 0.00 C ATOM 562 C CYS A 46 -2.297 42.401 -0.748 1.00 0.00 C ATOM 563 O CYS A 46 -2.308 42.976 0.341 1.00 0.00 O ATOM 564 CB CYS A 46 -0.118 41.159 -0.741 1.00 0.00 C ATOM 565 SG CYS A 46 -0.725 39.464 -0.813 1.00 0.00 S ATOM 0 H CYS A 46 0.487 43.539 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.202 41.766 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.892 41.189 -1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.047 41.463 0.303 1.00 0.00 H new ATOM 570 N LYS A 47 -3.394 41.958 -1.334 1.00 0.00 N ATOM 571 CA LYS A 47 -4.714 42.185 -0.755 1.00 0.00 C ATOM 572 C LYS A 47 -5.042 41.172 0.328 1.00 0.00 C ATOM 573 O LYS A 47 -5.676 41.509 1.329 1.00 0.00 O ATOM 574 CB LYS A 47 -5.797 42.148 -1.840 1.00 0.00 C ATOM 575 CG LYS A 47 -5.683 43.255 -2.880 1.00 0.00 C ATOM 576 CD LYS A 47 -6.062 44.630 -2.327 1.00 0.00 C ATOM 577 CE LYS A 47 -7.582 44.823 -2.207 1.00 0.00 C ATOM 578 NZ LYS A 47 -8.164 44.142 -1.021 1.00 0.00 N ATOM 0 H LYS A 47 -3.402 41.438 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.693 43.174 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.754 41.184 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.775 42.214 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.661 43.289 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.327 43.019 -3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.605 44.761 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.652 45.404 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.804 45.889 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.063 44.444 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.889 44.752 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.597 43.243 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.414 43.954 -0.326 1.00 0.00 H new ATOM 592 N CYS A 48 -4.618 39.945 0.141 1.00 0.00 N ATOM 593 CA CYS A 48 -4.934 38.904 1.098 1.00 0.00 C ATOM 594 C CYS A 48 -3.834 38.782 2.155 1.00 0.00 C ATOM 595 O CYS A 48 -4.114 38.558 3.334 1.00 0.00 O ATOM 596 CB CYS A 48 -5.140 37.582 0.382 1.00 0.00 C ATOM 597 SG CYS A 48 -3.638 36.915 -0.318 1.00 0.00 S ATOM 0 H CYS A 48 -4.058 39.642 -0.656 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.859 39.172 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.558 36.859 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.874 37.718 -0.413 1.00 0.00 H new ATOM 602 N GLY A 49 -2.585 38.939 1.726 1.00 0.00 N ATOM 603 CA GLY A 49 -1.470 38.875 2.651 1.00 0.00 C ATOM 604 C GLY A 49 -0.557 37.675 2.432 1.00 0.00 C ATOM 605 O GLY A 49 0.303 37.392 3.262 1.00 0.00 O ATOM 0 H GLY A 49 -2.326 39.109 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.882 39.788 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.856 38.844 3.670 1.00 0.00 H new ATOM 609 N LYS A 50 -0.728 36.976 1.321 1.00 0.00 N ATOM 610 CA LYS A 50 0.108 35.807 1.017 1.00 0.00 C ATOM 611 C LYS A 50 1.369 36.218 0.271 1.00 0.00 C ATOM 612 O LYS A 50 2.220 35.380 -0.041 1.00 0.00 O ATOM 613 CB LYS A 50 -0.667 34.807 0.168 1.00 0.00 C ATOM 614 CG LYS A 50 -1.959 34.333 0.791 1.00 0.00 C ATOM 615 CD LYS A 50 -1.718 33.489 2.019 1.00 0.00 C ATOM 616 CE LYS A 50 -3.029 32.962 2.570 1.00 0.00 C ATOM 617 NZ LYS A 50 -3.857 32.319 1.513 1.00 0.00 N ATOM 0 H LYS A 50 -1.431 37.189 0.614 1.00 0.00 H new ATOM 0 HA LYS A 50 0.389 35.346 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.888 35.262 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.032 33.943 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.571 35.195 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.524 33.756 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.060 32.656 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.209 34.081 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.826 32.240 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.589 33.781 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.463 31.590 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.452 33.037 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.235 31.879 0.805 1.00 0.00 H new ATOM 631 N GLU A 51 1.465 37.513 -0.030 1.00 0.00 N ATOM 632 CA GLU A 51 2.586 38.076 -0.787 1.00 0.00 C ATOM 633 C GLU A 51 2.607 37.545 -2.213 1.00 0.00 C ATOM 634 O GLU A 51 3.623 37.642 -2.910 1.00 0.00 O ATOM 635 CB GLU A 51 3.927 37.816 -0.104 1.00 0.00 C ATOM 636 CG GLU A 51 4.159 38.636 1.148 1.00 0.00 C ATOM 637 CD GLU A 51 5.565 38.482 1.666 1.00 0.00 C ATOM 638 OE1 GLU A 51 5.760 37.760 2.664 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.493 39.067 1.054 1.00 0.00 O ATOM 0 H GLU A 51 0.767 38.204 0.244 1.00 0.00 H new ATOM 0 HA GLU A 51 2.435 39.155 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.992 36.758 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.729 38.023 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.963 39.687 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.452 38.330 1.919 1.00 0.00 H new ATOM 646 N CYS A 52 1.484 36.995 -2.642 1.00 0.00 N ATOM 647 CA CYS A 52 1.340 36.492 -3.989 1.00 0.00 C ATOM 648 C CYS A 52 1.448 37.642 -4.972 1.00 0.00 C ATOM 649 O CYS A 52 2.188 37.568 -5.957 1.00 0.00 O ATOM 650 CB CYS A 52 0.005 35.777 -4.119 1.00 0.00 C ATOM 651 SG CYS A 52 -1.323 36.539 -3.170 1.00 0.00 S ATOM 0 H CYS A 52 0.650 36.887 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 52 2.134 35.779 -4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.281 35.750 -5.170 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.124 34.743 -3.795 1.00 0.00 H new ATOM 656 N THR A 53 0.718 38.718 -4.670 1.00 0.00 N ATOM 657 CA THR A 53 0.764 39.971 -5.428 1.00 0.00 C ATOM 658 C THR A 53 0.608 39.765 -6.938 1.00 0.00 C ATOM 659 O THR A 53 1.326 40.370 -7.743 1.00 0.00 O ATOM 660 CB THR A 53 2.064 40.762 -5.122 1.00 0.00 C ATOM 661 OG1 THR A 53 3.225 39.955 -5.383 1.00 0.00 O ATOM 662 CG2 THR A 53 2.077 41.205 -3.668 1.00 0.00 C ATOM 0 H THR A 53 0.070 38.744 -3.883 1.00 0.00 H new ATOM 0 HA THR A 53 -0.094 40.556 -5.098 1.00 0.00 H new ATOM 0 HB THR A 53 2.088 41.637 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.976 39.200 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.993 41.759 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.216 41.845 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.031 40.329 -3.020 1.00 0.00 H new ATOM 670 N GLY A 54 -0.340 38.930 -7.313 1.00 0.00 N ATOM 671 CA GLY A 54 -0.576 38.668 -8.707 1.00 0.00 C ATOM 672 C GLY A 54 -0.754 37.195 -8.972 1.00 0.00 C ATOM 673 O GLY A 54 -0.173 36.374 -8.271 1.00 0.00 O ATOM 0 H GLY A 54 -0.953 38.427 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.465 39.207 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.260 39.046 -9.296 1.00 0.00 H new ATOM 677 N PRO A 55 -1.543 36.826 -10.000 1.00 0.00 N ATOM 678 CA PRO A 55 -1.827 35.416 -10.324 1.00 0.00 C ATOM 679 C PRO A 55 -0.567 34.634 -10.693 1.00 0.00 C ATOM 680 O PRO A 55 -0.531 33.406 -10.588 1.00 0.00 O ATOM 681 CB PRO A 55 -2.777 35.504 -11.527 1.00 0.00 C ATOM 682 CG PRO A 55 -2.558 36.867 -12.097 1.00 0.00 C ATOM 683 CD PRO A 55 -2.211 37.751 -10.935 1.00 0.00 C ATOM 0 HA PRO A 55 -2.249 34.884 -9.471 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.556 34.729 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.814 35.367 -11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.754 36.857 -12.833 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.453 37.225 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.554 38.568 -11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.099 38.201 -10.491 1.00 0.00 H new ATOM 691 N ASP A 56 0.456 35.355 -11.119 1.00 0.00 N ATOM 692 CA ASP A 56 1.728 34.757 -11.501 1.00 0.00 C ATOM 693 C ASP A 56 2.376 34.073 -10.312 1.00 0.00 C ATOM 694 O ASP A 56 2.736 32.894 -10.371 1.00 0.00 O ATOM 695 CB ASP A 56 2.676 35.833 -12.035 1.00 0.00 C ATOM 696 CG ASP A 56 2.090 36.604 -13.187 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.289 37.520 -12.943 1.00 0.00 O ATOM 698 OD2 ASP A 56 2.426 36.299 -14.348 1.00 0.00 O ATOM 0 H ASP A 56 0.430 36.371 -11.210 1.00 0.00 H new ATOM 0 HA ASP A 56 1.535 34.018 -12.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.925 36.524 -11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.608 35.365 -12.353 1.00 0.00 H new ATOM 703 N SER A 57 2.506 34.810 -9.230 1.00 0.00 N ATOM 704 CA SER A 57 3.151 34.311 -8.034 1.00 0.00 C ATOM 705 C SER A 57 2.116 33.964 -6.964 1.00 0.00 C ATOM 706 O SER A 57 2.439 33.866 -5.780 1.00 0.00 O ATOM 707 CB SER A 57 4.127 35.364 -7.511 1.00 0.00 C ATOM 708 OG SER A 57 4.999 35.803 -8.552 1.00 0.00 O ATOM 0 H SER A 57 2.169 35.770 -9.154 1.00 0.00 H new ATOM 0 HA SER A 57 3.697 33.400 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.574 36.213 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.712 34.949 -6.690 1.00 0.00 H new ATOM 0 HG SER A 57 5.616 36.478 -8.199 1.00 0.00 H new ATOM 714 N CYS A 58 0.881 33.753 -7.390 1.00 0.00 N ATOM 715 CA CYS A 58 -0.188 33.450 -6.471 1.00 0.00 C ATOM 716 C CYS A 58 -0.266 31.970 -6.193 1.00 0.00 C ATOM 717 O CYS A 58 -0.146 31.139 -7.103 1.00 0.00 O ATOM 718 CB CYS A 58 -1.528 33.961 -6.988 1.00 0.00 C ATOM 719 SG CYS A 58 -2.884 33.762 -5.814 1.00 0.00 S ATOM 0 H CYS A 58 0.600 33.788 -8.370 1.00 0.00 H new ATOM 0 HA CYS A 58 0.035 33.965 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.431 35.017 -7.241 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.777 33.434 -7.909 1.00 0.00 H new ATOM 724 N LYS A 59 -0.470 31.646 -4.939 1.00 0.00 N ATOM 725 CA LYS A 59 -0.550 30.276 -4.504 1.00 0.00 C ATOM 726 C LYS A 59 -1.912 29.987 -3.900 1.00 0.00 C ATOM 727 O LYS A 59 -2.165 28.880 -3.419 1.00 0.00 O ATOM 728 CB LYS A 59 0.544 30.004 -3.482 1.00 0.00 C ATOM 729 CG LYS A 59 1.951 30.160 -4.033 1.00 0.00 C ATOM 730 CD LYS A 59 2.956 30.300 -2.913 1.00 0.00 C ATOM 731 CE LYS A 59 4.378 30.313 -3.433 1.00 0.00 C ATOM 732 NZ LYS A 59 5.364 30.468 -2.336 1.00 0.00 N ATOM 0 H LYS A 59 -0.585 32.329 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.412 29.622 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.417 30.683 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.425 28.991 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.203 29.296 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.997 31.036 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.762 31.221 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.834 29.476 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.576 29.387 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.497 31.128 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.326 30.472 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.191 31.364 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.268 29.676 -1.668 1.00 0.00 H new ATOM 746 N CYS A 60 -2.794 30.973 -3.930 1.00 0.00 N ATOM 747 CA CYS A 60 -4.114 30.803 -3.376 1.00 0.00 C ATOM 748 C CYS A 60 -5.055 30.307 -4.466 1.00 0.00 C ATOM 749 O CYS A 60 -5.307 31.002 -5.456 1.00 0.00 O ATOM 750 CB CYS A 60 -4.622 32.112 -2.800 1.00 0.00 C ATOM 751 SG CYS A 60 -3.381 33.055 -1.853 1.00 0.00 S ATOM 0 H CYS A 60 -2.615 31.893 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.073 30.070 -2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.988 32.735 -3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.473 31.903 -2.152 1.00 0.00 H new ATOM 756 N GLY A 61 -5.579 29.131 -4.263 1.00 0.00 N ATOM 757 CA GLY A 61 -6.408 28.490 -5.268 1.00 0.00 C ATOM 758 C GLY A 61 -7.878 28.683 -5.013 1.00 0.00 C ATOM 759 O GLY A 61 -8.539 27.803 -4.454 1.00 0.00 O ATOM 0 H GLY A 61 -5.451 28.587 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.158 28.891 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.184 27.424 -5.292 1.00 0.00 H new ATOM 763 N SER A 62 -8.390 29.839 -5.436 1.00 0.00 N ATOM 764 CA SER A 62 -9.791 30.208 -5.242 1.00 0.00 C ATOM 765 C SER A 62 -10.134 30.343 -3.748 1.00 0.00 C ATOM 766 O SER A 62 -9.312 30.033 -2.885 1.00 0.00 O ATOM 767 CB SER A 62 -10.716 29.196 -5.931 1.00 0.00 C ATOM 768 OG SER A 62 -10.433 29.122 -7.323 1.00 0.00 O ATOM 0 H SER A 62 -7.842 30.548 -5.924 1.00 0.00 H new ATOM 0 HA SER A 62 -9.948 31.183 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.590 28.213 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.756 29.486 -5.781 1.00 0.00 H new ATOM 0 HG SER A 62 -10.323 28.184 -7.585 1.00 0.00 H new ATOM 774 N SER A 63 -11.325 30.869 -3.462 1.00 0.00 N ATOM 775 CA SER A 63 -11.841 31.001 -2.085 1.00 0.00 C ATOM 776 C SER A 63 -11.119 32.075 -1.237 1.00 0.00 C ATOM 777 O SER A 63 -11.706 32.615 -0.301 1.00 0.00 O ATOM 778 CB SER A 63 -11.792 29.650 -1.368 1.00 0.00 C ATOM 779 OG SER A 63 -12.396 28.639 -2.158 1.00 0.00 O ATOM 0 H SER A 63 -11.966 31.218 -4.175 1.00 0.00 H new ATOM 0 HA SER A 63 -12.872 31.339 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.757 29.383 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.305 29.723 -0.409 1.00 0.00 H new ATOM 0 HG SER A 63 -12.353 27.783 -1.683 1.00 0.00 H new ATOM 785 N CYS A 64 -9.869 32.395 -1.562 1.00 0.00 N ATOM 786 CA CYS A 64 -9.105 33.340 -0.754 1.00 0.00 C ATOM 787 C CYS A 64 -9.617 34.768 -0.938 1.00 0.00 C ATOM 788 O CYS A 64 -10.398 35.046 -1.853 1.00 0.00 O ATOM 789 CB CYS A 64 -7.611 33.253 -1.087 1.00 0.00 C ATOM 790 SG CYS A 64 -6.538 34.218 0.009 1.00 0.00 S ATOM 0 H CYS A 64 -9.369 32.019 -2.368 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.241 33.070 0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.303 32.208 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.460 33.591 -2.112 1.00 0.00 H new ATOM 795 N SER A 65 -9.168 35.667 -0.069 1.00 0.00 N ATOM 796 CA SER A 65 -9.569 37.063 -0.117 1.00 0.00 C ATOM 797 C SER A 65 -9.117 37.708 -1.429 1.00 0.00 C ATOM 798 O SER A 65 -9.745 38.643 -1.921 1.00 0.00 O ATOM 799 CB SER A 65 -8.986 37.820 1.087 1.00 0.00 C ATOM 800 OG SER A 65 -9.433 39.164 1.133 1.00 0.00 O ATOM 0 H SER A 65 -8.518 35.447 0.685 1.00 0.00 H new ATOM 0 HA SER A 65 -10.657 37.116 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.270 37.311 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.897 37.801 1.035 1.00 0.00 H new ATOM 0 HG SER A 65 -9.043 39.612 1.912 1.00 0.00 H new ATOM 806 N CYS A 66 -8.038 37.184 -2.005 1.00 0.00 N ATOM 807 CA CYS A 66 -7.518 37.704 -3.258 1.00 0.00 C ATOM 808 C CYS A 66 -8.221 37.063 -4.450 1.00 0.00 C ATOM 809 O CYS A 66 -7.818 37.252 -5.585 1.00 0.00 O ATOM 810 CB CYS A 66 -6.013 37.456 -3.356 1.00 0.00 C ATOM 811 SG CYS A 66 -5.543 35.711 -3.421 1.00 0.00 S ATOM 0 H CYS A 66 -7.510 36.400 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.707 38.777 -3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.633 37.955 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.525 37.919 -2.499 1.00 0.00 H new ATOM 816 N LYS A 67 -9.267 36.304 -4.183 1.00 0.00 N ATOM 817 CA LYS A 67 -10.004 35.623 -5.237 1.00 0.00 C ATOM 818 C LYS A 67 -11.386 36.242 -5.428 1.00 0.00 C ATOM 819 O LYS A 67 -11.501 37.195 -6.247 1.00 0.00 O ATOM 820 CB LYS A 67 -10.132 34.135 -4.915 1.00 0.00 C ATOM 821 CG LYS A 67 -8.800 33.389 -4.825 1.00 0.00 C ATOM 822 CD LYS A 67 -8.138 33.248 -6.189 1.00 0.00 C ATOM 823 CE LYS A 67 -6.963 34.191 -6.345 1.00 0.00 C ATOM 824 NZ LYS A 67 -5.789 33.761 -5.555 1.00 0.00 N ATOM 0 H LYS A 67 -9.628 36.142 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.449 35.738 -6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.660 34.025 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.748 33.662 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.130 33.921 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.965 32.400 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.800 32.221 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.871 33.448 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.687 34.253 -7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.260 35.193 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.917 34.025 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.807 34.226 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.816 32.729 -5.427 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.964 29.467 -14.363 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.542 33.162 -15.507 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.417 32.296 -11.825 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.332 35.911 -4.624 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -4.766 34.998 -1.376 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.307 38.154 -1.826 1.00 0.00 ZN