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 42 THR OG1 : rot 2:sc= 0.302 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -112:sc= 0.702 (180deg=0.194) USER MOD Single : A 1 GLY N :NH3+ -122:sc= -0.191 (180deg=-2.4!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.033 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.0687 (180deg=-0.358) 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 138:sc= -0.772 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 20:sc= 1.06 USER MOD Single : A 20 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.71) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 14:sc= 1.05 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 1.62 (180deg=1.22) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 40 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 19:sc= 0.75 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 180:sc= 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+ 168:sc= 1.16 (180deg=0.992) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.880 9.607 -21.411 1.00 0.00 N ATOM 2 CA GLY A 1 -6.214 8.220 -20.969 1.00 0.00 C ATOM 3 C GLY A 1 -7.158 8.205 -19.781 1.00 0.00 C ATOM 4 O GLY A 1 -8.374 8.349 -19.942 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.152 9.729 -22.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.398 10.292 -20.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.857 9.767 -21.309 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.668 7.677 -21.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.296 7.694 -20.707 1.00 0.00 H new ATOM 7 N SER A 2 -6.606 8.036 -18.591 1.00 0.00 N ATOM 8 CA SER A 2 -7.397 8.010 -17.370 1.00 0.00 C ATOM 9 C SER A 2 -8.055 9.366 -17.109 1.00 0.00 C ATOM 10 O SER A 2 -9.194 9.439 -16.646 1.00 0.00 O ATOM 11 CB SER A 2 -6.511 7.605 -16.197 1.00 0.00 C ATOM 12 OG SER A 2 -5.270 8.295 -16.247 1.00 0.00 O ATOM 0 H SER A 2 -5.604 7.914 -18.443 1.00 0.00 H new ATOM 0 HA SER A 2 -8.195 7.276 -17.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.018 7.825 -15.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.337 6.529 -16.220 1.00 0.00 H new ATOM 0 HG SER A 2 -4.715 8.025 -15.486 1.00 0.00 H new ATOM 18 N GLY A 3 -7.336 10.429 -17.431 1.00 0.00 N ATOM 19 CA GLY A 3 -7.854 11.764 -17.252 1.00 0.00 C ATOM 20 C GLY A 3 -8.258 12.377 -18.568 1.00 0.00 C ATOM 21 O GLY A 3 -8.071 13.577 -18.796 1.00 0.00 O ATOM 0 H GLY A 3 -6.393 10.387 -17.817 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.714 11.736 -16.583 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.099 12.388 -16.775 1.00 0.00 H new ATOM 25 N LYS A 4 -8.796 11.548 -19.445 1.00 0.00 N ATOM 26 CA LYS A 4 -9.227 11.990 -20.750 1.00 0.00 C ATOM 27 C LYS A 4 -10.576 12.685 -20.650 1.00 0.00 C ATOM 28 O LYS A 4 -11.607 12.045 -20.412 1.00 0.00 O ATOM 29 CB LYS A 4 -9.304 10.803 -21.713 1.00 0.00 C ATOM 30 CG LYS A 4 -9.694 11.175 -23.129 1.00 0.00 C ATOM 31 CD LYS A 4 -9.703 9.957 -24.033 1.00 0.00 C ATOM 32 CE LYS A 4 -10.140 10.315 -25.440 1.00 0.00 C ATOM 33 NZ LYS A 4 -11.496 10.915 -25.466 1.00 0.00 N ATOM 0 H LYS A 4 -8.944 10.554 -19.269 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.499 12.702 -21.138 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.335 10.304 -21.734 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.025 10.083 -21.327 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.681 11.638 -23.128 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.996 11.915 -23.519 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.707 9.516 -24.061 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.374 9.203 -23.623 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.426 11.015 -25.874 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.128 9.420 -26.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.866 10.895 -26.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.128 10.372 -24.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.446 11.900 -25.135 1.00 0.00 H new ATOM 47 N GLY A 5 -10.560 13.985 -20.815 1.00 0.00 N ATOM 48 CA GLY A 5 -11.764 14.764 -20.729 1.00 0.00 C ATOM 49 C GLY A 5 -11.460 16.236 -20.679 1.00 0.00 C ATOM 50 O GLY A 5 -10.640 16.679 -19.868 1.00 0.00 O ATOM 0 H GLY A 5 -9.718 14.526 -21.011 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.400 14.551 -21.588 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.324 14.476 -19.839 1.00 0.00 H new ATOM 54 N LYS A 6 -12.092 16.994 -21.550 1.00 0.00 N ATOM 55 CA LYS A 6 -11.875 18.425 -21.607 1.00 0.00 C ATOM 56 C LYS A 6 -13.170 19.165 -21.353 1.00 0.00 C ATOM 57 O LYS A 6 -14.247 18.686 -21.712 1.00 0.00 O ATOM 58 CB LYS A 6 -11.290 18.831 -22.968 1.00 0.00 C ATOM 59 CG LYS A 6 -9.936 18.203 -23.272 1.00 0.00 C ATOM 60 CD LYS A 6 -8.908 18.565 -22.210 1.00 0.00 C ATOM 61 CE LYS A 6 -7.557 17.940 -22.501 1.00 0.00 C ATOM 62 NZ LYS A 6 -6.567 18.258 -21.444 1.00 0.00 N ATOM 0 H LYS A 6 -12.764 16.641 -22.232 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.160 18.694 -20.830 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.993 18.551 -23.752 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.191 19.916 -23.001 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.039 17.119 -23.327 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.587 18.540 -24.248 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.804 19.649 -22.159 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.260 18.232 -21.234 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.666 16.859 -22.584 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.190 18.298 -23.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.656 17.814 -21.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.444 19.289 -21.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.906 17.894 -20.530 1.00 0.00 H new ATOM 76 N GLY A 7 -13.069 20.317 -20.726 1.00 0.00 N ATOM 77 CA GLY A 7 -14.236 21.105 -20.436 1.00 0.00 C ATOM 78 C GLY A 7 -14.063 21.924 -19.203 1.00 0.00 C ATOM 79 O GLY A 7 -12.945 22.093 -18.703 1.00 0.00 O ATOM 0 H GLY A 7 -12.189 20.724 -20.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.450 21.761 -21.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.097 20.448 -20.317 1.00 0.00 H new ATOM 83 N GLU A 8 -15.157 22.434 -18.711 1.00 0.00 N ATOM 84 CA GLU A 8 -15.155 23.235 -17.530 1.00 0.00 C ATOM 85 C GLU A 8 -16.322 22.877 -16.627 1.00 0.00 C ATOM 86 O GLU A 8 -17.122 21.989 -16.932 1.00 0.00 O ATOM 87 CB GLU A 8 -15.176 24.738 -17.884 1.00 0.00 C ATOM 88 CG GLU A 8 -15.998 25.101 -19.129 1.00 0.00 C ATOM 89 CD GLU A 8 -17.437 24.626 -19.071 1.00 0.00 C ATOM 90 OE1 GLU A 8 -18.292 25.347 -18.519 1.00 0.00 O ATOM 91 OE2 GLU A 8 -17.723 23.528 -19.588 1.00 0.00 O ATOM 0 H GLU A 8 -16.080 22.302 -19.125 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.233 23.028 -16.986 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.572 25.291 -17.032 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.150 25.075 -18.034 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.987 26.183 -19.257 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.518 24.671 -20.008 1.00 0.00 H new ATOM 98 N LYS A 9 -16.391 23.559 -15.524 1.00 0.00 N ATOM 99 CA LYS A 9 -17.457 23.390 -14.546 1.00 0.00 C ATOM 100 C LYS A 9 -18.078 24.750 -14.274 1.00 0.00 C ATOM 101 O LYS A 9 -18.462 25.077 -13.140 1.00 0.00 O ATOM 102 CB LYS A 9 -16.891 22.776 -13.256 1.00 0.00 C ATOM 103 CG LYS A 9 -16.304 21.381 -13.454 1.00 0.00 C ATOM 104 CD LYS A 9 -15.524 20.903 -12.234 1.00 0.00 C ATOM 105 CE LYS A 9 -16.414 20.724 -11.014 1.00 0.00 C ATOM 106 NZ LYS A 9 -15.651 20.208 -9.850 1.00 0.00 N ATOM 0 H LYS A 9 -15.703 24.264 -15.261 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.221 22.714 -14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.118 23.434 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.683 22.726 -12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.109 20.677 -13.666 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.647 21.386 -14.324 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.035 19.957 -12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.737 21.621 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.873 21.678 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.224 20.035 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.290 20.099 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.234 19.286 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.893 20.878 -9.607 1.00 0.00 H new ATOM 120 N CYS A 10 -18.174 25.533 -15.332 1.00 0.00 N ATOM 121 CA CYS A 10 -18.662 26.889 -15.261 1.00 0.00 C ATOM 122 C CYS A 10 -20.166 26.983 -15.486 1.00 0.00 C ATOM 123 O CYS A 10 -20.777 26.108 -16.102 1.00 0.00 O ATOM 124 CB CYS A 10 -17.921 27.746 -16.275 1.00 0.00 C ATOM 125 SG CYS A 10 -16.126 27.694 -16.097 1.00 0.00 S ATOM 0 H CYS A 10 -17.912 25.238 -16.273 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.473 27.256 -14.252 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.187 27.416 -17.279 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.257 28.779 -16.179 1.00 0.00 H new ATOM 130 N THR A 11 -20.751 28.056 -14.975 1.00 0.00 N ATOM 131 CA THR A 11 -22.169 28.304 -15.113 1.00 0.00 C ATOM 132 C THR A 11 -22.440 29.194 -16.324 1.00 0.00 C ATOM 133 O THR A 11 -21.501 29.636 -16.997 1.00 0.00 O ATOM 134 CB THR A 11 -22.723 28.982 -13.847 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.953 30.159 -13.554 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.666 28.030 -12.663 1.00 0.00 C ATOM 0 H THR A 11 -20.251 28.777 -14.454 1.00 0.00 H new ATOM 0 HA THR A 11 -22.668 27.345 -15.254 1.00 0.00 H new ATOM 0 HB THR A 11 -23.762 29.258 -14.025 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.554 30.886 -13.288 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.062 28.527 -11.777 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.263 27.144 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.632 27.736 -12.482 1.00 0.00 H new ATOM 144 N SER A 12 -23.712 29.462 -16.592 1.00 0.00 N ATOM 145 CA SER A 12 -24.104 30.291 -17.724 1.00 0.00 C ATOM 146 C SER A 12 -23.468 31.681 -17.657 1.00 0.00 C ATOM 147 O SER A 12 -23.062 32.227 -18.678 1.00 0.00 O ATOM 148 CB SER A 12 -25.622 30.411 -17.783 1.00 0.00 C ATOM 149 OG SER A 12 -26.223 29.130 -17.873 1.00 0.00 O ATOM 0 H SER A 12 -24.494 29.115 -16.037 1.00 0.00 H new ATOM 0 HA SER A 12 -23.743 29.806 -18.631 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.986 30.927 -16.895 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.911 31.015 -18.643 1.00 0.00 H new ATOM 0 HG SER A 12 -27.197 29.228 -17.908 1.00 0.00 H new ATOM 155 N ALA A 13 -23.365 32.231 -16.447 1.00 0.00 N ATOM 156 CA ALA A 13 -22.789 33.560 -16.248 1.00 0.00 C ATOM 157 C ALA A 13 -21.328 33.610 -16.693 1.00 0.00 C ATOM 158 O ALA A 13 -20.899 34.557 -17.342 1.00 0.00 O ATOM 159 CB ALA A 13 -22.915 33.978 -14.792 1.00 0.00 C ATOM 0 H ALA A 13 -23.674 31.775 -15.588 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.348 34.262 -16.867 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.482 34.969 -14.659 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.968 34.001 -14.510 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.386 33.264 -14.161 1.00 0.00 H new ATOM 165 N CYS A 14 -20.576 32.579 -16.362 1.00 0.00 N ATOM 166 CA CYS A 14 -19.169 32.518 -16.735 1.00 0.00 C ATOM 167 C CYS A 14 -19.046 32.224 -18.233 1.00 0.00 C ATOM 168 O CYS A 14 -18.066 32.589 -18.878 1.00 0.00 O ATOM 169 CB CYS A 14 -18.459 31.442 -15.910 1.00 0.00 C ATOM 170 SG CYS A 14 -16.648 31.521 -15.939 1.00 0.00 S ATOM 0 H CYS A 14 -20.911 31.772 -15.837 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.695 33.478 -16.529 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.794 31.519 -14.876 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.770 30.463 -16.274 1.00 0.00 H new ATOM 175 N ARG A 15 -20.074 31.582 -18.780 1.00 0.00 N ATOM 176 CA ARG A 15 -20.129 31.257 -20.207 1.00 0.00 C ATOM 177 C ARG A 15 -20.787 32.384 -21.013 1.00 0.00 C ATOM 178 O ARG A 15 -21.141 32.201 -22.181 1.00 0.00 O ATOM 179 CB ARG A 15 -20.897 29.951 -20.433 1.00 0.00 C ATOM 180 CG ARG A 15 -20.109 28.684 -20.131 1.00 0.00 C ATOM 181 CD ARG A 15 -20.938 27.452 -20.459 1.00 0.00 C ATOM 182 NE ARG A 15 -20.142 26.222 -20.498 1.00 0.00 N ATOM 183 CZ ARG A 15 -20.263 25.285 -21.450 1.00 0.00 C ATOM 184 NH1 ARG A 15 -21.128 25.450 -22.449 1.00 0.00 N ATOM 185 NH2 ARG A 15 -19.522 24.190 -21.408 1.00 0.00 N ATOM 0 H ARG A 15 -20.890 31.272 -18.252 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.102 31.137 -20.553 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -21.793 29.961 -19.812 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.229 29.916 -21.471 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.187 28.675 -20.712 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.823 28.668 -19.079 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.728 27.344 -19.716 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.425 27.594 -21.424 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.456 26.070 -19.758 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.702 26.292 -22.493 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.216 24.735 -23.171 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.854 24.055 -20.649 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.618 23.481 -22.135 1.00 0.00 H new ATOM 199 N SER A 16 -20.954 33.537 -20.392 1.00 0.00 N ATOM 200 CA SER A 16 -21.554 34.682 -21.055 1.00 0.00 C ATOM 201 C SER A 16 -20.478 35.512 -21.757 1.00 0.00 C ATOM 202 O SER A 16 -19.289 35.188 -21.678 1.00 0.00 O ATOM 203 CB SER A 16 -22.300 35.540 -20.036 1.00 0.00 C ATOM 204 OG SER A 16 -23.288 34.781 -19.356 1.00 0.00 O ATOM 0 H SER A 16 -20.681 33.707 -19.424 1.00 0.00 H new ATOM 0 HA SER A 16 -22.261 34.326 -21.804 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.593 35.952 -19.315 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.769 36.385 -20.541 1.00 0.00 H new ATOM 0 HG SER A 16 -23.078 33.827 -19.434 1.00 0.00 H new ATOM 210 N GLU A 17 -20.891 36.565 -22.444 1.00 0.00 N ATOM 211 CA GLU A 17 -19.959 37.441 -23.129 1.00 0.00 C ATOM 212 C GLU A 17 -20.266 38.906 -22.809 1.00 0.00 C ATOM 213 O GLU A 17 -21.317 39.429 -23.194 1.00 0.00 O ATOM 214 CB GLU A 17 -19.990 37.176 -24.645 1.00 0.00 C ATOM 215 CG GLU A 17 -19.030 38.032 -25.480 1.00 0.00 C ATOM 216 CD GLU A 17 -19.598 39.393 -25.843 1.00 0.00 C ATOM 217 OE1 GLU A 17 -20.574 39.446 -26.612 1.00 0.00 O ATOM 218 OE2 GLU A 17 -19.068 40.417 -25.370 1.00 0.00 O ATOM 0 H GLU A 17 -21.870 36.833 -22.541 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.950 37.229 -22.774 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.758 36.125 -24.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.005 37.342 -25.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.102 38.170 -24.926 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.778 37.496 -26.395 1.00 0.00 H new ATOM 225 N PRO A 18 -19.374 39.575 -22.053 1.00 0.00 N ATOM 226 CA PRO A 18 -18.169 38.947 -21.497 1.00 0.00 C ATOM 227 C PRO A 18 -18.510 38.105 -20.267 1.00 0.00 C ATOM 228 O PRO A 18 -19.690 37.895 -19.969 1.00 0.00 O ATOM 229 CB PRO A 18 -17.308 40.144 -21.100 1.00 0.00 C ATOM 230 CG PRO A 18 -18.288 41.214 -20.775 1.00 0.00 C ATOM 231 CD PRO A 18 -19.466 41.001 -21.690 1.00 0.00 C ATOM 0 HA PRO A 18 -17.679 38.271 -22.198 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.675 39.911 -20.243 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.647 40.445 -21.913 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.592 41.158 -19.730 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.851 42.201 -20.927 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.408 41.227 -21.189 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.411 41.642 -22.570 1.00 0.00 H new ATOM 239 N CYS A 19 -17.495 37.637 -19.551 1.00 0.00 N ATOM 240 CA CYS A 19 -17.722 36.816 -18.379 1.00 0.00 C ATOM 241 C CYS A 19 -18.551 37.572 -17.348 1.00 0.00 C ATOM 242 O CYS A 19 -18.175 38.657 -16.908 1.00 0.00 O ATOM 243 CB CYS A 19 -16.402 36.378 -17.767 1.00 0.00 C ATOM 244 SG CYS A 19 -16.588 35.279 -16.353 1.00 0.00 S ATOM 0 H CYS A 19 -16.513 37.813 -19.764 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.274 35.928 -18.689 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.807 35.876 -18.530 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.844 37.262 -17.458 1.00 0.00 H new ATOM 249 N GLN A 20 -19.677 36.993 -16.973 1.00 0.00 N ATOM 250 CA GLN A 20 -20.588 37.620 -16.031 1.00 0.00 C ATOM 251 C GLN A 20 -20.591 36.890 -14.717 1.00 0.00 C ATOM 252 O GLN A 20 -21.487 37.082 -13.892 1.00 0.00 O ATOM 253 CB GLN A 20 -21.996 37.638 -16.596 1.00 0.00 C ATOM 254 CG GLN A 20 -22.103 38.366 -17.902 1.00 0.00 C ATOM 255 CD GLN A 20 -21.753 39.832 -17.782 1.00 0.00 C ATOM 256 OE1 GLN A 20 -21.976 40.457 -16.746 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.192 40.385 -18.831 1.00 0.00 N ATOM 0 H GLN A 20 -19.985 36.081 -17.310 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.246 38.642 -15.865 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.339 36.612 -16.731 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.664 38.105 -15.872 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.441 37.897 -18.630 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.119 38.269 -18.285 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.024 39.831 -19.671 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.923 41.369 -18.807 1.00 0.00 H new ATOM 266 N CYS A 21 -19.590 36.055 -14.510 1.00 0.00 N ATOM 267 CA CYS A 21 -19.495 35.303 -13.277 1.00 0.00 C ATOM 268 C CYS A 21 -19.264 36.288 -12.124 1.00 0.00 C ATOM 269 O CYS A 21 -19.663 36.044 -10.979 1.00 0.00 O ATOM 270 CB CYS A 21 -18.372 34.272 -13.379 1.00 0.00 C ATOM 271 SG CYS A 21 -18.571 32.827 -12.320 1.00 0.00 S ATOM 0 H CYS A 21 -18.837 35.882 -15.176 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.418 34.755 -13.089 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.297 33.938 -14.414 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.428 34.758 -13.132 1.00 0.00 H new ATOM 276 N GLY A 22 -18.637 37.421 -12.472 1.00 0.00 N ATOM 277 CA GLY A 22 -18.448 38.542 -11.561 1.00 0.00 C ATOM 278 C GLY A 22 -17.854 38.191 -10.220 1.00 0.00 C ATOM 279 O GLY A 22 -16.928 37.384 -10.122 1.00 0.00 O ATOM 0 H GLY A 22 -18.247 37.579 -13.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.804 39.276 -12.044 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.413 39.023 -11.398 1.00 0.00 H new ATOM 283 N SER A 23 -18.394 38.817 -9.185 1.00 0.00 N ATOM 284 CA SER A 23 -17.919 38.637 -7.830 1.00 0.00 C ATOM 285 C SER A 23 -18.539 37.405 -7.186 1.00 0.00 C ATOM 286 O SER A 23 -18.059 36.921 -6.159 1.00 0.00 O ATOM 287 CB SER A 23 -18.239 39.885 -7.010 1.00 0.00 C ATOM 288 OG SER A 23 -17.811 41.057 -7.692 1.00 0.00 O ATOM 0 H SER A 23 -19.177 39.466 -9.266 1.00 0.00 H new ATOM 0 HA SER A 23 -16.840 38.486 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.311 39.938 -6.823 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.748 39.824 -6.039 1.00 0.00 H new ATOM 0 HG SER A 23 -18.026 41.846 -7.152 1.00 0.00 H new ATOM 294 N LYS A 24 -19.602 36.896 -7.791 1.00 0.00 N ATOM 295 CA LYS A 24 -20.271 35.719 -7.275 1.00 0.00 C ATOM 296 C LYS A 24 -19.445 34.488 -7.551 1.00 0.00 C ATOM 297 O LYS A 24 -19.197 33.684 -6.651 1.00 0.00 O ATOM 298 CB LYS A 24 -21.659 35.571 -7.897 1.00 0.00 C ATOM 299 CG LYS A 24 -22.691 36.533 -7.331 1.00 0.00 C ATOM 300 CD LYS A 24 -23.095 36.147 -5.908 1.00 0.00 C ATOM 301 CE LYS A 24 -23.853 34.820 -5.877 1.00 0.00 C ATOM 302 NZ LYS A 24 -24.126 34.362 -4.491 1.00 0.00 N ATOM 0 H LYS A 24 -20.017 37.282 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 24 -20.386 35.834 -6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.583 35.726 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.007 34.549 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -22.287 37.545 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.573 36.540 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -22.204 36.072 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.718 36.932 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.795 34.929 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.273 34.060 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -24.641 33.459 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -23.227 34.232 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -24.701 35.074 -3.997 1.00 0.00 H new ATOM 316 N CYS A 25 -19.009 34.366 -8.795 1.00 0.00 N ATOM 317 CA CYS A 25 -18.217 33.239 -9.247 1.00 0.00 C ATOM 318 C CYS A 25 -18.916 31.920 -8.919 1.00 0.00 C ATOM 319 O CYS A 25 -18.624 31.268 -7.912 1.00 0.00 O ATOM 320 CB CYS A 25 -16.816 33.287 -8.658 1.00 0.00 C ATOM 321 SG CYS A 25 -15.638 32.256 -9.534 1.00 0.00 S ATOM 0 H CYS A 25 -19.198 35.054 -9.524 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.119 33.303 -10.331 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.462 34.318 -8.666 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.858 32.973 -7.615 1.00 0.00 H new ATOM 326 N GLN A 26 -19.852 31.548 -9.771 1.00 0.00 N ATOM 327 CA GLN A 26 -20.672 30.363 -9.551 1.00 0.00 C ATOM 328 C GLN A 26 -20.003 29.099 -10.092 1.00 0.00 C ATOM 329 O GLN A 26 -20.454 27.982 -9.818 1.00 0.00 O ATOM 330 CB GLN A 26 -22.035 30.536 -10.217 1.00 0.00 C ATOM 331 CG GLN A 26 -22.715 31.860 -9.916 1.00 0.00 C ATOM 332 CD GLN A 26 -24.067 31.977 -10.590 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.165 32.417 -11.738 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.114 31.605 -9.886 1.00 0.00 N ATOM 0 H GLN A 26 -20.068 32.052 -10.631 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.795 30.249 -8.474 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.914 30.440 -11.296 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.688 29.724 -9.897 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.838 31.966 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.075 32.678 -10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.991 31.246 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.049 31.675 -10.287 1.00 0.00 H new ATOM 343 N CYS A 27 -18.941 29.265 -10.857 1.00 0.00 N ATOM 344 CA CYS A 27 -18.260 28.124 -11.441 1.00 0.00 C ATOM 345 C CYS A 27 -17.288 27.500 -10.453 1.00 0.00 C ATOM 346 O CYS A 27 -17.084 28.017 -9.345 1.00 0.00 O ATOM 347 CB CYS A 27 -17.522 28.529 -12.701 1.00 0.00 C ATOM 348 SG CYS A 27 -16.212 29.704 -12.434 1.00 0.00 S ATOM 0 H CYS A 27 -18.533 30.171 -11.088 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.018 27.383 -11.696 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.105 27.636 -13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.237 28.953 -13.407 1.00 0.00 H new ATOM 353 N GLY A 28 -16.684 26.399 -10.854 1.00 0.00 N ATOM 354 CA GLY A 28 -15.752 25.724 -9.993 1.00 0.00 C ATOM 355 C GLY A 28 -14.391 25.566 -10.626 1.00 0.00 C ATOM 356 O GLY A 28 -13.864 26.501 -11.236 1.00 0.00 O ATOM 0 H GLY A 28 -16.825 25.961 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.653 26.281 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.146 24.741 -9.736 1.00 0.00 H new ATOM 360 N GLU A 29 -13.836 24.384 -10.487 1.00 0.00 N ATOM 361 CA GLU A 29 -12.522 24.063 -11.014 1.00 0.00 C ATOM 362 C GLU A 29 -12.567 23.885 -12.538 1.00 0.00 C ATOM 363 O GLU A 29 -13.604 23.525 -13.101 1.00 0.00 O ATOM 364 CB GLU A 29 -12.022 22.781 -10.342 1.00 0.00 C ATOM 365 CG GLU A 29 -10.604 22.385 -10.701 1.00 0.00 C ATOM 366 CD GLU A 29 -10.198 21.086 -10.051 1.00 0.00 C ATOM 367 OE1 GLU A 29 -10.334 20.026 -10.693 1.00 0.00 O ATOM 368 OE2 GLU A 29 -9.742 21.112 -8.887 1.00 0.00 O ATOM 0 H GLU A 29 -14.285 23.608 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.839 24.885 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.087 22.906 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.691 21.963 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.517 22.291 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.918 23.174 -10.393 1.00 0.00 H new ATOM 375 N GLY A 30 -11.444 24.154 -13.193 1.00 0.00 N ATOM 376 CA GLY A 30 -11.358 23.983 -14.628 1.00 0.00 C ATOM 377 C GLY A 30 -11.631 25.261 -15.392 1.00 0.00 C ATOM 378 O GLY A 30 -11.877 25.226 -16.601 1.00 0.00 O ATOM 0 H GLY A 30 -10.588 24.489 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.364 23.617 -14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.070 23.220 -14.941 1.00 0.00 H new ATOM 382 N CYS A 31 -11.583 26.389 -14.702 1.00 0.00 N ATOM 383 CA CYS A 31 -11.849 27.666 -15.339 1.00 0.00 C ATOM 384 C CYS A 31 -10.619 28.560 -15.354 1.00 0.00 C ATOM 385 O CYS A 31 -10.110 28.901 -16.421 1.00 0.00 O ATOM 386 CB CYS A 31 -13.009 28.378 -14.647 1.00 0.00 C ATOM 387 SG CYS A 31 -13.249 30.090 -15.180 1.00 0.00 S ATOM 0 H CYS A 31 -11.364 26.446 -13.707 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.122 27.461 -16.374 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.926 27.819 -14.832 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.839 28.364 -13.570 1.00 0.00 H new ATOM 392 N THR A 32 -10.139 28.924 -14.160 1.00 0.00 N ATOM 393 CA THR A 32 -8.996 29.836 -13.997 1.00 0.00 C ATOM 394 C THR A 32 -9.191 31.144 -14.786 1.00 0.00 C ATOM 395 O THR A 32 -8.237 31.723 -15.306 1.00 0.00 O ATOM 396 CB THR A 32 -7.638 29.160 -14.368 1.00 0.00 C ATOM 397 OG1 THR A 32 -7.645 28.682 -15.727 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.365 27.997 -13.434 1.00 0.00 C ATOM 0 H THR A 32 -10.531 28.596 -13.277 1.00 0.00 H new ATOM 0 HA THR A 32 -8.954 30.086 -12.937 1.00 0.00 H new ATOM 0 HB THR A 32 -6.855 29.911 -14.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.403 29.074 -16.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.416 27.532 -13.700 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.316 28.359 -12.407 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.166 27.263 -13.523 1.00 0.00 H new ATOM 406 N CYS A 33 -10.446 31.601 -14.843 1.00 0.00 N ATOM 407 CA CYS A 33 -10.813 32.828 -15.543 1.00 0.00 C ATOM 408 C CYS A 33 -10.059 34.025 -14.992 1.00 0.00 C ATOM 409 O CYS A 33 -9.860 34.144 -13.790 1.00 0.00 O ATOM 410 CB CYS A 33 -12.311 33.081 -15.393 1.00 0.00 C ATOM 411 SG CYS A 33 -13.218 33.224 -16.945 1.00 0.00 S ATOM 0 H CYS A 33 -11.235 31.127 -14.403 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.553 32.701 -16.594 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.745 32.269 -14.809 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.454 33.997 -14.820 1.00 0.00 H new ATOM 416 N ALA A 34 -9.679 34.922 -15.872 1.00 0.00 N ATOM 417 CA ALA A 34 -8.985 36.132 -15.481 1.00 0.00 C ATOM 418 C ALA A 34 -9.990 37.256 -15.277 1.00 0.00 C ATOM 419 O ALA A 34 -9.636 38.434 -15.243 1.00 0.00 O ATOM 420 CB ALA A 34 -7.960 36.517 -16.540 1.00 0.00 C ATOM 0 H ALA A 34 -9.840 34.837 -16.876 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.458 35.956 -14.543 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.445 37.428 -16.234 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.235 35.711 -16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.465 36.688 -17.491 1.00 0.00 H new ATOM 426 N ALA A 35 -11.249 36.873 -15.110 1.00 0.00 N ATOM 427 CA ALA A 35 -12.327 37.826 -14.949 1.00 0.00 C ATOM 428 C ALA A 35 -13.032 37.613 -13.622 1.00 0.00 C ATOM 429 O ALA A 35 -13.190 38.545 -12.831 1.00 0.00 O ATOM 430 CB ALA A 35 -13.319 37.708 -16.107 1.00 0.00 C ATOM 0 H ALA A 35 -11.546 35.897 -15.083 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.904 38.831 -14.956 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.124 38.431 -15.972 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.806 37.908 -17.048 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.736 36.701 -16.128 1.00 0.00 H new ATOM 436 N CYS A 36 -13.463 36.394 -13.389 1.00 0.00 N ATOM 437 CA CYS A 36 -14.151 36.055 -12.164 1.00 0.00 C ATOM 438 C CYS A 36 -13.211 35.411 -11.147 1.00 0.00 C ATOM 439 O CYS A 36 -13.285 35.692 -9.954 1.00 0.00 O ATOM 440 CB CYS A 36 -15.281 35.101 -12.480 1.00 0.00 C ATOM 441 SG CYS A 36 -14.748 33.510 -13.179 1.00 0.00 S ATOM 0 H CYS A 36 -13.348 35.615 -14.038 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.538 36.975 -11.725 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.846 34.912 -11.567 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.961 35.583 -13.182 1.00 0.00 H new ATOM 446 N LYS A 37 -12.314 34.570 -11.632 1.00 0.00 N ATOM 447 CA LYS A 37 -11.445 33.801 -10.758 1.00 0.00 C ATOM 448 C LYS A 37 -10.023 34.331 -10.797 1.00 0.00 C ATOM 449 O LYS A 37 -9.052 33.579 -10.681 1.00 0.00 O ATOM 450 CB LYS A 37 -11.491 32.328 -11.171 1.00 0.00 C ATOM 451 CG LYS A 37 -11.331 31.347 -10.018 1.00 0.00 C ATOM 452 CD LYS A 37 -11.438 29.902 -10.490 1.00 0.00 C ATOM 453 CE LYS A 37 -12.722 29.647 -11.280 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.943 30.010 -10.518 1.00 0.00 N ATOM 0 H LYS A 37 -12.168 34.402 -12.627 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.798 33.897 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.440 32.132 -11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.703 32.143 -11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.365 31.503 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.095 31.542 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.576 29.660 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.406 29.236 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.693 30.219 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.771 28.594 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.781 29.635 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.889 29.605 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.016 31.045 -10.452 1.00 0.00 H new ATOM 468 N THR A 38 -9.915 35.622 -10.912 1.00 0.00 N ATOM 469 CA THR A 38 -8.631 36.271 -11.014 1.00 0.00 C ATOM 470 C THR A 38 -8.176 36.788 -9.649 1.00 0.00 C ATOM 471 O THR A 38 -8.930 36.755 -8.679 1.00 0.00 O ATOM 472 CB THR A 38 -8.687 37.440 -12.026 1.00 0.00 C ATOM 473 OG1 THR A 38 -7.373 37.973 -12.245 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.609 38.546 -11.527 1.00 0.00 C ATOM 0 H THR A 38 -10.711 36.259 -10.938 1.00 0.00 H new ATOM 0 HA THR A 38 -7.911 35.534 -11.368 1.00 0.00 H new ATOM 0 HB THR A 38 -9.080 37.053 -12.966 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.422 38.711 -12.888 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.632 39.357 -12.255 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.615 38.149 -11.394 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.240 38.925 -10.574 1.00 0.00 H new ATOM 482 N CYS A 39 -6.941 37.240 -9.583 1.00 0.00 N ATOM 483 CA CYS A 39 -6.390 37.784 -8.364 1.00 0.00 C ATOM 484 C CYS A 39 -6.434 39.306 -8.416 1.00 0.00 C ATOM 485 O CYS A 39 -6.328 39.900 -9.488 1.00 0.00 O ATOM 486 CB CYS A 39 -4.957 37.300 -8.170 1.00 0.00 C ATOM 487 SG CYS A 39 -4.168 37.904 -6.669 1.00 0.00 S ATOM 0 H CYS A 39 -6.294 37.240 -10.372 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.986 37.441 -7.518 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.953 36.210 -8.155 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.362 37.610 -9.029 1.00 0.00 H new ATOM 492 N ASN A 40 -6.592 39.927 -7.262 1.00 0.00 N ATOM 493 CA ASN A 40 -6.685 41.381 -7.180 1.00 0.00 C ATOM 494 C ASN A 40 -5.456 41.985 -6.524 1.00 0.00 C ATOM 495 O ASN A 40 -5.391 43.198 -6.301 1.00 0.00 O ATOM 496 CB ASN A 40 -7.946 41.796 -6.416 1.00 0.00 C ATOM 497 CG ASN A 40 -9.209 41.634 -7.239 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.646 42.567 -7.913 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.797 40.454 -7.202 1.00 0.00 N ATOM 0 H ASN A 40 -6.659 39.449 -6.363 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.743 41.763 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.029 41.198 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.851 42.836 -6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.645 40.290 -7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.404 39.706 -6.631 1.00 0.00 H new ATOM 506 N CYS A 41 -4.487 41.152 -6.211 1.00 0.00 N ATOM 507 CA CYS A 41 -3.272 41.613 -5.591 1.00 0.00 C ATOM 508 C CYS A 41 -2.334 42.204 -6.624 1.00 0.00 C ATOM 509 O CYS A 41 -2.414 41.878 -7.809 1.00 0.00 O ATOM 510 CB CYS A 41 -2.603 40.473 -4.851 1.00 0.00 C ATOM 511 SG CYS A 41 -3.655 39.724 -3.603 1.00 0.00 S ATOM 0 H CYS A 41 -4.522 40.146 -6.379 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.521 42.396 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.302 39.710 -5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.693 40.841 -4.377 1.00 0.00 H new ATOM 516 N THR A 42 -1.456 43.075 -6.180 1.00 0.00 N ATOM 517 CA THR A 42 -0.526 43.725 -7.064 1.00 0.00 C ATOM 518 C THR A 42 0.905 43.467 -6.612 1.00 0.00 C ATOM 519 O THR A 42 1.140 43.118 -5.451 1.00 0.00 O ATOM 520 CB THR A 42 -0.798 45.247 -7.117 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.749 45.800 -5.790 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.169 45.521 -7.714 1.00 0.00 C ATOM 0 H THR A 42 -1.370 43.349 -5.201 1.00 0.00 H new ATOM 0 HA THR A 42 -0.660 43.312 -8.064 1.00 0.00 H new ATOM 0 HB THR A 42 -0.033 45.710 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.528 45.093 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.344 46.596 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.212 45.118 -8.726 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.934 45.045 -7.101 1.00 0.00 H new ATOM 530 N SER A 43 1.852 43.624 -7.525 1.00 0.00 N ATOM 531 CA SER A 43 3.258 43.426 -7.218 1.00 0.00 C ATOM 532 C SER A 43 3.730 44.469 -6.212 1.00 0.00 C ATOM 533 O SER A 43 4.648 44.227 -5.426 1.00 0.00 O ATOM 534 CB SER A 43 4.081 43.511 -8.499 1.00 0.00 C ATOM 535 OG SER A 43 3.580 42.615 -9.476 1.00 0.00 O ATOM 0 H SER A 43 1.668 43.890 -8.492 1.00 0.00 H new ATOM 0 HA SER A 43 3.392 42.438 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.057 44.530 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.124 43.277 -8.284 1.00 0.00 H new ATOM 0 HG SER A 43 4.119 42.685 -10.291 1.00 0.00 H new ATOM 541 N ASP A 44 3.077 45.623 -6.238 1.00 0.00 N ATOM 542 CA ASP A 44 3.383 46.719 -5.328 1.00 0.00 C ATOM 543 C ASP A 44 3.040 46.345 -3.893 1.00 0.00 C ATOM 544 O ASP A 44 3.702 46.779 -2.950 1.00 0.00 O ATOM 545 CB ASP A 44 2.610 47.974 -5.745 1.00 0.00 C ATOM 546 CG ASP A 44 2.704 49.087 -4.727 1.00 0.00 C ATOM 547 OD1 ASP A 44 3.725 49.798 -4.705 1.00 0.00 O ATOM 548 OD2 ASP A 44 1.746 49.263 -3.948 1.00 0.00 O ATOM 0 H ASP A 44 2.320 45.826 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 44 4.453 46.922 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.993 48.330 -6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.562 47.715 -5.898 1.00 0.00 H new ATOM 553 N GLY A 45 2.015 45.530 -3.737 1.00 0.00 N ATOM 554 CA GLY A 45 1.599 45.110 -2.427 1.00 0.00 C ATOM 555 C GLY A 45 0.501 44.081 -2.493 1.00 0.00 C ATOM 556 O GLY A 45 -0.508 44.281 -3.187 1.00 0.00 O ATOM 0 H GLY A 45 1.460 45.150 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.453 44.697 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.253 45.975 -1.860 1.00 0.00 H new ATOM 560 N CYS A 46 0.691 42.970 -1.800 1.00 0.00 N ATOM 561 CA CYS A 46 -0.308 41.919 -1.771 1.00 0.00 C ATOM 562 C CYS A 46 -1.585 42.441 -1.124 1.00 0.00 C ATOM 563 O CYS A 46 -1.534 43.247 -0.198 1.00 0.00 O ATOM 564 CB CYS A 46 0.217 40.707 -1.012 1.00 0.00 C ATOM 565 SG CYS A 46 -0.695 39.190 -1.348 1.00 0.00 S ATOM 0 H CYS A 46 1.528 42.774 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.529 41.611 -2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.265 40.555 -1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.178 40.914 0.057 1.00 0.00 H new ATOM 570 N LYS A 47 -2.721 41.992 -1.615 1.00 0.00 N ATOM 571 CA LYS A 47 -3.995 42.493 -1.131 1.00 0.00 C ATOM 572 C LYS A 47 -4.712 41.502 -0.216 1.00 0.00 C ATOM 573 O LYS A 47 -5.573 41.898 0.575 1.00 0.00 O ATOM 574 CB LYS A 47 -4.884 42.894 -2.310 1.00 0.00 C ATOM 575 CG LYS A 47 -4.352 44.088 -3.100 1.00 0.00 C ATOM 576 CD LYS A 47 -4.410 45.372 -2.280 1.00 0.00 C ATOM 577 CE LYS A 47 -3.787 46.548 -3.023 1.00 0.00 C ATOM 578 NZ LYS A 47 -2.309 46.427 -3.137 1.00 0.00 N ATOM 0 H LYS A 47 -2.791 41.284 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.787 43.374 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.988 42.042 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.881 43.130 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.323 43.895 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.936 44.211 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.448 45.603 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.889 45.223 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.221 46.616 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.034 47.474 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.855 47.163 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.010 45.489 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.027 46.544 -4.131 1.00 0.00 H new ATOM 592 N CYS A 48 -4.374 40.229 -0.312 1.00 0.00 N ATOM 593 CA CYS A 48 -5.010 39.235 0.543 1.00 0.00 C ATOM 594 C CYS A 48 -4.132 38.916 1.744 1.00 0.00 C ATOM 595 O CYS A 48 -4.617 38.795 2.867 1.00 0.00 O ATOM 596 CB CYS A 48 -5.312 37.957 -0.233 1.00 0.00 C ATOM 597 SG CYS A 48 -3.844 37.055 -0.755 1.00 0.00 S ATOM 0 H CYS A 48 -3.677 39.861 -0.959 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.951 39.657 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.926 37.304 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.903 38.209 -1.113 1.00 0.00 H new ATOM 602 N GLY A 49 -2.840 38.794 1.501 1.00 0.00 N ATOM 603 CA GLY A 49 -1.918 38.463 2.560 1.00 0.00 C ATOM 604 C GLY A 49 -1.234 37.137 2.324 1.00 0.00 C ATOM 605 O GLY A 49 -0.381 36.722 3.103 1.00 0.00 O ATOM 0 H GLY A 49 -2.412 38.919 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.167 39.248 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.453 38.431 3.509 1.00 0.00 H new ATOM 609 N LYS A 50 -1.603 36.469 1.243 1.00 0.00 N ATOM 610 CA LYS A 50 -1.001 35.190 0.894 1.00 0.00 C ATOM 611 C LYS A 50 0.351 35.404 0.227 1.00 0.00 C ATOM 612 O LYS A 50 1.046 34.444 -0.107 1.00 0.00 O ATOM 613 CB LYS A 50 -1.927 34.398 -0.024 1.00 0.00 C ATOM 614 CG LYS A 50 -3.302 34.124 0.577 1.00 0.00 C ATOM 615 CD LYS A 50 -3.230 33.163 1.749 1.00 0.00 C ATOM 616 CE LYS A 50 -2.768 31.782 1.298 1.00 0.00 C ATOM 617 NZ LYS A 50 -2.948 30.761 2.356 1.00 0.00 N ATOM 0 H LYS A 50 -2.318 36.791 0.590 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.849 34.618 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.052 34.945 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.453 33.448 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.748 35.063 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.957 33.711 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.543 33.552 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.209 33.086 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.326 31.486 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.717 31.827 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.621 29.838 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.395 31.029 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.954 30.698 2.610 1.00 0.00 H new ATOM 631 N GLU A 51 0.697 36.680 0.024 1.00 0.00 N ATOM 632 CA GLU A 51 1.983 37.091 -0.541 1.00 0.00 C ATOM 633 C GLU A 51 2.085 36.730 -2.031 1.00 0.00 C ATOM 634 O GLU A 51 3.172 36.731 -2.614 1.00 0.00 O ATOM 635 CB GLU A 51 3.138 36.475 0.263 1.00 0.00 C ATOM 636 CG GLU A 51 4.491 37.099 -0.008 1.00 0.00 C ATOM 637 CD GLU A 51 5.586 36.452 0.799 1.00 0.00 C ATOM 638 OE1 GLU A 51 5.861 36.929 1.922 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.179 35.461 0.315 1.00 0.00 O ATOM 0 H GLU A 51 0.084 37.463 0.250 1.00 0.00 H new ATOM 0 HA GLU A 51 2.055 38.176 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.915 36.568 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.192 35.409 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.724 37.012 -1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.452 38.163 0.223 1.00 0.00 H new ATOM 646 N CYS A 52 0.950 36.454 -2.648 1.00 0.00 N ATOM 647 CA CYS A 52 0.922 36.113 -4.059 1.00 0.00 C ATOM 648 C CYS A 52 1.261 37.324 -4.914 1.00 0.00 C ATOM 649 O CYS A 52 1.948 37.205 -5.933 1.00 0.00 O ATOM 650 CB CYS A 52 -0.438 35.557 -4.437 1.00 0.00 C ATOM 651 SG CYS A 52 -1.826 36.479 -3.766 1.00 0.00 S ATOM 0 H CYS A 52 0.036 36.459 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 52 1.676 35.347 -4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.521 35.538 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.503 34.524 -4.095 1.00 0.00 H new ATOM 656 N THR A 53 0.780 38.492 -4.479 1.00 0.00 N ATOM 657 CA THR A 53 1.038 39.780 -5.143 1.00 0.00 C ATOM 658 C THR A 53 0.709 39.753 -6.639 1.00 0.00 C ATOM 659 O THR A 53 1.406 40.365 -7.450 1.00 0.00 O ATOM 660 CB THR A 53 2.499 40.269 -4.932 1.00 0.00 C ATOM 661 OG1 THR A 53 3.439 39.272 -5.352 1.00 0.00 O ATOM 662 CG2 THR A 53 2.741 40.608 -3.474 1.00 0.00 C ATOM 0 H THR A 53 0.194 38.575 -3.648 1.00 0.00 H new ATOM 0 HA THR A 53 0.363 40.490 -4.665 1.00 0.00 H new ATOM 0 HB THR A 53 2.640 41.164 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.994 38.632 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.768 40.948 -3.345 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.056 41.398 -3.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.573 39.722 -2.862 1.00 0.00 H new ATOM 670 N GLY A 54 -0.351 39.054 -6.998 1.00 0.00 N ATOM 671 CA GLY A 54 -0.749 39.003 -8.380 1.00 0.00 C ATOM 672 C GLY A 54 -1.083 37.602 -8.828 1.00 0.00 C ATOM 673 O GLY A 54 -0.643 36.637 -8.208 1.00 0.00 O ATOM 0 H GLY A 54 -0.941 38.523 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.616 39.646 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.054 39.399 -9.002 1.00 0.00 H new ATOM 677 N PRO A 55 -1.849 37.459 -9.924 1.00 0.00 N ATOM 678 CA PRO A 55 -2.271 36.148 -10.440 1.00 0.00 C ATOM 679 C PRO A 55 -1.094 35.274 -10.869 1.00 0.00 C ATOM 680 O PRO A 55 -1.187 34.049 -10.855 1.00 0.00 O ATOM 681 CB PRO A 55 -3.151 36.498 -11.651 1.00 0.00 C ATOM 682 CG PRO A 55 -2.757 37.885 -12.027 1.00 0.00 C ATOM 683 CD PRO A 55 -2.363 38.566 -10.750 1.00 0.00 C ATOM 0 HA PRO A 55 -2.787 35.566 -9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.984 35.803 -12.474 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.210 36.443 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.929 37.876 -12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.583 38.408 -12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.603 39.329 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.212 39.060 -10.278 1.00 0.00 H new ATOM 691 N ASP A 56 0.012 35.913 -11.225 1.00 0.00 N ATOM 692 CA ASP A 56 1.208 35.202 -11.679 1.00 0.00 C ATOM 693 C ASP A 56 1.765 34.294 -10.598 1.00 0.00 C ATOM 694 O ASP A 56 2.188 33.175 -10.871 1.00 0.00 O ATOM 695 CB ASP A 56 2.285 36.189 -12.128 1.00 0.00 C ATOM 696 CG ASP A 56 1.879 36.973 -13.349 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.542 38.166 -13.212 1.00 0.00 O ATOM 698 OD2 ASP A 56 1.882 36.398 -14.454 1.00 0.00 O ATOM 0 H ASP A 56 0.110 36.928 -11.209 1.00 0.00 H new ATOM 0 HA ASP A 56 0.912 34.582 -12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.502 36.879 -11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.206 35.645 -12.339 1.00 0.00 H new ATOM 703 N SER A 57 1.752 34.769 -9.375 1.00 0.00 N ATOM 704 CA SER A 57 2.270 34.000 -8.266 1.00 0.00 C ATOM 705 C SER A 57 1.157 33.659 -7.283 1.00 0.00 C ATOM 706 O SER A 57 1.414 33.288 -6.135 1.00 0.00 O ATOM 707 CB SER A 57 3.385 34.784 -7.572 1.00 0.00 C ATOM 708 OG SER A 57 4.415 35.114 -8.496 1.00 0.00 O ATOM 0 H SER A 57 1.387 35.687 -9.121 1.00 0.00 H new ATOM 0 HA SER A 57 2.680 33.064 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.978 35.695 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.798 34.193 -6.755 1.00 0.00 H new ATOM 0 HG SER A 57 5.119 35.617 -8.035 1.00 0.00 H new ATOM 714 N CYS A 58 -0.077 33.758 -7.744 1.00 0.00 N ATOM 715 CA CYS A 58 -1.225 33.490 -6.903 1.00 0.00 C ATOM 716 C CYS A 58 -1.458 32.006 -6.760 1.00 0.00 C ATOM 717 O CYS A 58 -1.653 31.292 -7.746 1.00 0.00 O ATOM 718 CB CYS A 58 -2.475 34.178 -7.449 1.00 0.00 C ATOM 719 SG CYS A 58 -3.926 34.036 -6.383 1.00 0.00 S ATOM 0 H CYS A 58 -0.308 34.024 -8.701 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.014 33.898 -5.914 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.255 35.234 -7.605 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.712 33.754 -8.425 1.00 0.00 H new ATOM 724 N LYS A 59 -1.421 31.539 -5.531 1.00 0.00 N ATOM 725 CA LYS A 59 -1.642 30.142 -5.245 1.00 0.00 C ATOM 726 C LYS A 59 -2.989 29.962 -4.572 1.00 0.00 C ATOM 727 O LYS A 59 -3.328 28.872 -4.110 1.00 0.00 O ATOM 728 CB LYS A 59 -0.517 29.586 -4.361 1.00 0.00 C ATOM 729 CG LYS A 59 0.881 29.786 -4.942 1.00 0.00 C ATOM 730 CD LYS A 59 1.025 29.126 -6.309 1.00 0.00 C ATOM 731 CE LYS A 59 2.378 29.433 -6.931 1.00 0.00 C ATOM 732 NZ LYS A 59 2.518 28.845 -8.287 1.00 0.00 N ATOM 0 H LYS A 59 -1.238 32.114 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.640 29.586 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.566 30.065 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.685 28.521 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.089 30.852 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.622 29.371 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.905 28.047 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.231 29.475 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.512 30.513 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.168 29.048 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.455 29.080 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.416 27.812 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.781 29.231 -8.911 1.00 0.00 H new ATOM 746 N CYS A 60 -3.755 31.040 -4.514 1.00 0.00 N ATOM 747 CA CYS A 60 -5.074 30.997 -3.931 1.00 0.00 C ATOM 748 C CYS A 60 -6.064 30.436 -4.944 1.00 0.00 C ATOM 749 O CYS A 60 -5.967 30.717 -6.144 1.00 0.00 O ATOM 750 CB CYS A 60 -5.508 32.392 -3.488 1.00 0.00 C ATOM 751 SG CYS A 60 -4.278 33.278 -2.494 1.00 0.00 S ATOM 0 H CYS A 60 -3.479 31.956 -4.867 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.052 30.349 -3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.738 32.986 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.430 32.307 -2.912 1.00 0.00 H new ATOM 756 N GLY A 61 -7.005 29.658 -4.467 1.00 0.00 N ATOM 757 CA GLY A 61 -7.977 29.042 -5.345 1.00 0.00 C ATOM 758 C GLY A 61 -9.385 29.317 -4.898 1.00 0.00 C ATOM 759 O GLY A 61 -9.995 28.488 -4.220 1.00 0.00 O ATOM 0 H GLY A 61 -7.121 29.435 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.838 29.415 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.809 27.965 -5.375 1.00 0.00 H new ATOM 763 N SER A 62 -9.897 30.494 -5.270 1.00 0.00 N ATOM 764 CA SER A 62 -11.240 30.932 -4.881 1.00 0.00 C ATOM 765 C SER A 62 -11.350 31.082 -3.354 1.00 0.00 C ATOM 766 O SER A 62 -10.413 30.759 -2.620 1.00 0.00 O ATOM 767 CB SER A 62 -12.308 29.953 -5.405 1.00 0.00 C ATOM 768 OG SER A 62 -12.273 29.859 -6.823 1.00 0.00 O ATOM 0 H SER A 62 -9.394 31.168 -5.847 1.00 0.00 H new ATOM 0 HA SER A 62 -11.417 31.908 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.145 28.967 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.296 30.284 -5.085 1.00 0.00 H new ATOM 0 HG SER A 62 -12.960 29.230 -7.126 1.00 0.00 H new ATOM 774 N SER A 63 -12.471 31.632 -2.896 1.00 0.00 N ATOM 775 CA SER A 63 -12.768 31.778 -1.463 1.00 0.00 C ATOM 776 C SER A 63 -11.771 32.693 -0.717 1.00 0.00 C ATOM 777 O SER A 63 -11.867 32.855 0.503 1.00 0.00 O ATOM 778 CB SER A 63 -12.830 30.400 -0.795 1.00 0.00 C ATOM 779 OG SER A 63 -13.779 29.564 -1.441 1.00 0.00 O ATOM 0 H SER A 63 -13.205 31.992 -3.505 1.00 0.00 H new ATOM 0 HA SER A 63 -13.740 32.267 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.846 29.932 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.095 30.513 0.256 1.00 0.00 H new ATOM 0 HG SER A 63 -13.800 28.690 -0.999 1.00 0.00 H new ATOM 785 N CYS A 64 -10.828 33.290 -1.434 1.00 0.00 N ATOM 786 CA CYS A 64 -9.867 34.179 -0.805 1.00 0.00 C ATOM 787 C CYS A 64 -10.245 35.630 -1.056 1.00 0.00 C ATOM 788 O CYS A 64 -11.085 35.922 -1.907 1.00 0.00 O ATOM 789 CB CYS A 64 -8.446 33.902 -1.304 1.00 0.00 C ATOM 790 SG CYS A 64 -7.158 34.775 -0.374 1.00 0.00 S ATOM 0 H CYS A 64 -10.710 33.175 -2.441 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.888 33.991 0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.255 32.830 -1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.378 34.186 -2.354 1.00 0.00 H new ATOM 795 N SER A 65 -9.612 36.532 -0.330 1.00 0.00 N ATOM 796 CA SER A 65 -9.909 37.945 -0.429 1.00 0.00 C ATOM 797 C SER A 65 -9.476 38.523 -1.781 1.00 0.00 C ATOM 798 O SER A 65 -10.070 39.487 -2.269 1.00 0.00 O ATOM 799 CB SER A 65 -9.244 38.705 0.721 1.00 0.00 C ATOM 800 OG SER A 65 -9.670 40.056 0.763 1.00 0.00 O ATOM 0 H SER A 65 -8.880 36.305 0.343 1.00 0.00 H new ATOM 0 HA SER A 65 -10.990 38.065 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.481 38.218 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.161 38.667 0.606 1.00 0.00 H new ATOM 0 HG SER A 65 -9.229 40.515 1.508 1.00 0.00 H new ATOM 806 N CYS A 66 -8.459 37.928 -2.396 1.00 0.00 N ATOM 807 CA CYS A 66 -7.984 38.412 -3.684 1.00 0.00 C ATOM 808 C CYS A 66 -8.837 37.863 -4.828 1.00 0.00 C ATOM 809 O CYS A 66 -8.615 38.194 -5.990 1.00 0.00 O ATOM 810 CB CYS A 66 -6.500 38.065 -3.896 1.00 0.00 C ATOM 811 SG CYS A 66 -6.098 36.302 -3.808 1.00 0.00 S ATOM 0 H CYS A 66 -7.955 37.121 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.079 39.498 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.191 38.443 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.910 38.593 -3.147 1.00 0.00 H new ATOM 816 N LYS A 67 -9.829 37.047 -4.486 1.00 0.00 N ATOM 817 CA LYS A 67 -10.705 36.435 -5.483 1.00 0.00 C ATOM 818 C LYS A 67 -12.112 37.014 -5.395 1.00 0.00 C ATOM 819 O LYS A 67 -12.864 36.591 -4.472 1.00 0.00 O ATOM 820 CB LYS A 67 -10.748 34.916 -5.277 1.00 0.00 C ATOM 821 CG LYS A 67 -9.379 34.262 -5.291 1.00 0.00 C ATOM 822 CD LYS A 67 -8.729 34.370 -6.656 1.00 0.00 C ATOM 823 CE LYS A 67 -7.261 34.018 -6.591 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.638 33.984 -7.935 1.00 0.00 N ATOM 0 H LYS A 67 -10.048 36.793 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.306 36.652 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.235 34.700 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.363 34.469 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.741 34.734 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.473 33.212 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.235 33.705 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.846 35.384 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.741 34.746 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.142 33.046 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.603 33.942 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.972 33.145 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.901 34.841 -8.461 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.645 29.743 -14.835 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.375 33.343 -15.565 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.358 32.050 -11.838 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -4.020 36.187 -5.161 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.351 35.344 -1.882 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.539 38.095 -2.368 1.00 0.00 ZN