USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 367 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 52 ASN : amide:sc= 1.34 K(o=1.3,f=-8.4!) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -0.0385 X(o=1.3,f=1.3) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -0.126 F(o=-0.47,f=1.2) USER MOD Set 2.2: A 30 ASN : amide:sc= 1.29 K(o=1.2,f=-6.9!) USER MOD Single : A 8 SER OG : rot 33:sc= 0.235 USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.82) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 1:sc= 0.33 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 136:sc= 0.814 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 90:sc= 0.19 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.8!) USER MOD Single : A 41 SER OG : rot -25:sc= 0.782 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc=-0.00565 (180deg=-0.0818) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 -19.480 0.226 -0.282 1.00 0.00 N ATOM 2 CA SER A 8 -18.062 0.472 -0.272 1.00 0.00 C ATOM 3 C SER A 8 -17.478 0.050 -1.613 1.00 0.00 C ATOM 4 O SER A 8 -17.626 -1.112 -2.019 1.00 0.00 O ATOM 5 CB SER A 8 -17.450 -0.327 0.861 1.00 0.00 C ATOM 6 OG SER A 8 -18.144 -0.062 2.073 1.00 0.00 O ATOM 0 HA SER A 8 -17.847 1.530 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.495 -1.392 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.397 -0.069 0.971 1.00 0.00 H new ATOM 0 HG SER A 8 -19.088 0.112 1.878 1.00 0.00 H new ATOM 14 N PRO A 9 -16.829 0.972 -2.333 1.00 0.00 N ATOM 15 CA PRO A 9 -16.279 0.684 -3.647 1.00 0.00 C ATOM 16 C PRO A 9 -15.051 -0.231 -3.578 1.00 0.00 C ATOM 17 O PRO A 9 -14.154 -0.024 -2.740 1.00 0.00 O ATOM 18 CB PRO A 9 -15.874 2.063 -4.172 1.00 0.00 C ATOM 19 CG PRO A 9 -15.600 2.862 -2.954 1.00 0.00 C ATOM 20 CD PRO A 9 -16.566 2.369 -1.919 1.00 0.00 C ATOM 0 HA PRO A 9 -16.996 0.160 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.993 2.001 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.670 2.510 -4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.570 2.730 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.740 3.926 -3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.141 2.418 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.480 2.963 -1.907 1.00 0.00 H new ATOM 28 N PRO A 10 -15.013 -1.285 -4.410 1.00 0.00 N ATOM 29 CA PRO A 10 -13.837 -2.135 -4.521 1.00 0.00 C ATOM 30 C PRO A 10 -12.667 -1.283 -5.003 1.00 0.00 C ATOM 31 O PRO A 10 -12.766 -0.588 -6.021 1.00 0.00 O ATOM 32 CB PRO A 10 -14.236 -3.168 -5.585 1.00 0.00 C ATOM 33 CG PRO A 10 -15.722 -3.157 -5.574 1.00 0.00 C ATOM 34 CD PRO A 10 -16.107 -1.741 -5.283 1.00 0.00 C ATOM 0 HA PRO A 10 -13.535 -2.606 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.844 -2.899 -6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.844 -4.157 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.124 -3.484 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.114 -3.835 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.176 -1.144 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.075 -1.678 -4.786 1.00 0.00 H new ATOM 42 N LYS A 11 -11.586 -1.324 -4.282 1.00 0.00 N ATOM 43 CA LYS A 11 -10.460 -0.461 -4.540 1.00 0.00 C ATOM 44 C LYS A 11 -9.185 -1.283 -4.542 1.00 0.00 C ATOM 45 O LYS A 11 -9.206 -2.406 -4.030 1.00 0.00 O ATOM 46 CB LYS A 11 -10.444 0.664 -3.477 1.00 0.00 C ATOM 47 CG LYS A 11 -10.372 0.191 -2.031 1.00 0.00 C ATOM 48 CD LYS A 11 -10.735 1.325 -1.088 1.00 0.00 C ATOM 49 CE LYS A 11 -10.651 0.916 0.369 1.00 0.00 C ATOM 50 NZ LYS A 11 -9.254 0.762 0.839 1.00 0.00 N ATOM 0 H LYS A 11 -11.455 -1.958 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.539 0.008 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.591 1.314 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.342 1.270 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.052 -0.648 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.368 -0.169 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.067 2.168 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.746 1.667 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.156 1.663 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.183 -0.025 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.248 0.616 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.818 -0.058 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.714 1.620 0.608 1.00 0.00 H new ATOM 64 N PRO A 12 -8.088 -0.776 -5.160 1.00 0.00 N ATOM 65 CA PRO A 12 -6.817 -1.494 -5.255 1.00 0.00 C ATOM 66 C PRO A 12 -6.317 -2.087 -3.948 1.00 0.00 C ATOM 67 O PRO A 12 -6.294 -1.439 -2.892 1.00 0.00 O ATOM 68 CB PRO A 12 -5.812 -0.463 -5.760 1.00 0.00 C ATOM 69 CG PRO A 12 -6.560 0.825 -5.907 1.00 0.00 C ATOM 70 CD PRO A 12 -8.026 0.497 -5.893 1.00 0.00 C ATOM 0 HA PRO A 12 -6.949 -2.353 -5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.984 -0.353 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.384 -0.774 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.312 1.508 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.287 1.323 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.606 1.275 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.424 0.398 -6.903 1.00 0.00 H new ATOM 78 N LYS A 13 -5.923 -3.320 -4.056 1.00 0.00 N ATOM 79 CA LYS A 13 -5.391 -4.118 -2.980 1.00 0.00 C ATOM 80 C LYS A 13 -4.164 -4.820 -3.511 1.00 0.00 C ATOM 81 O LYS A 13 -4.056 -5.034 -4.726 1.00 0.00 O ATOM 82 CB LYS A 13 -6.433 -5.122 -2.466 1.00 0.00 C ATOM 83 CG LYS A 13 -7.655 -4.453 -1.855 1.00 0.00 C ATOM 84 CD LYS A 13 -8.708 -5.450 -1.431 1.00 0.00 C ATOM 85 CE LYS A 13 -9.898 -4.734 -0.816 1.00 0.00 C ATOM 86 NZ LYS A 13 -10.951 -5.665 -0.407 1.00 0.00 N ATOM 0 H LYS A 13 -5.964 -3.827 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.129 -3.489 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.750 -5.761 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.969 -5.768 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.349 -3.863 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.085 -3.760 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.032 -6.034 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.285 -6.151 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.567 -4.159 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.303 -4.022 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.743 -5.133 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.286 -6.196 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.573 -6.328 0.299 1.00 0.00 H new ATOM 100 N CYS A 14 -3.235 -5.142 -2.651 1.00 0.00 N ATOM 101 CA CYS A 14 -1.973 -5.679 -3.094 1.00 0.00 C ATOM 102 C CYS A 14 -1.521 -6.841 -2.219 1.00 0.00 C ATOM 103 O CYS A 14 -2.099 -7.096 -1.148 1.00 0.00 O ATOM 104 CB CYS A 14 -0.930 -4.572 -3.055 1.00 0.00 C ATOM 105 SG CYS A 14 -0.681 -3.896 -1.410 1.00 0.00 S ATOM 0 H CYS A 14 -3.327 -5.043 -1.640 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.092 -6.057 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.017 -4.960 -3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.234 -3.771 -3.728 1.00 0.00 H new ATOM 110 N ARG A 15 -0.479 -7.512 -2.669 1.00 0.00 N ATOM 111 CA ARG A 15 0.109 -8.658 -1.983 1.00 0.00 C ATOM 112 C ARG A 15 1.610 -8.428 -1.817 1.00 0.00 C ATOM 113 O ARG A 15 2.397 -9.380 -1.730 1.00 0.00 O ATOM 114 CB ARG A 15 -0.137 -9.927 -2.806 1.00 0.00 C ATOM 115 CG ARG A 15 -1.600 -10.278 -2.959 1.00 0.00 C ATOM 116 CD ARG A 15 -1.797 -11.416 -3.932 1.00 0.00 C ATOM 117 NE ARG A 15 -3.214 -11.756 -4.094 1.00 0.00 N ATOM 118 CZ ARG A 15 -3.687 -12.708 -4.904 1.00 0.00 C ATOM 119 NH1 ARG A 15 -2.860 -13.375 -5.706 1.00 0.00 N ATOM 120 NH2 ARG A 15 -4.987 -12.973 -4.935 1.00 0.00 N ATOM 0 H ARG A 15 -0.004 -7.275 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.349 -8.776 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.302 -9.799 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.380 -10.762 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.013 -10.552 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.151 -9.403 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.376 -11.144 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.251 -12.292 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.891 -11.225 -3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.863 -13.160 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.223 -14.101 -6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.629 -12.449 -4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.345 -13.700 -5.554 1.00 0.00 H new ATOM 134 N CYS A 16 1.984 -7.147 -1.755 1.00 0.00 N ATOM 135 CA CYS A 16 3.384 -6.717 -1.601 1.00 0.00 C ATOM 136 C CYS A 16 3.988 -7.330 -0.343 1.00 0.00 C ATOM 137 O CYS A 16 3.647 -6.942 0.752 1.00 0.00 O ATOM 138 CB CYS A 16 3.466 -5.190 -1.481 1.00 0.00 C ATOM 139 SG CYS A 16 2.754 -4.261 -2.850 1.00 0.00 S ATOM 0 H CYS A 16 1.323 -6.372 -1.810 1.00 0.00 H new ATOM 0 HA CYS A 16 3.936 -7.049 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.964 -4.889 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.514 -4.907 -1.380 1.00 0.00 H new ATOM 144 N GLY A 17 4.844 -8.285 -0.501 1.00 0.00 N ATOM 145 CA GLY A 17 5.405 -8.948 0.638 1.00 0.00 C ATOM 146 C GLY A 17 5.382 -10.429 0.438 1.00 0.00 C ATOM 147 O GLY A 17 6.305 -11.134 0.845 1.00 0.00 O ATOM 0 H GLY A 17 5.172 -8.626 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.430 -8.611 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.842 -8.686 1.534 1.00 0.00 H new ATOM 151 N ILE A 18 4.326 -10.912 -0.186 1.00 0.00 N ATOM 152 CA ILE A 18 4.219 -12.310 -0.530 1.00 0.00 C ATOM 153 C ILE A 18 5.100 -12.543 -1.747 1.00 0.00 C ATOM 154 O ILE A 18 6.006 -13.386 -1.743 1.00 0.00 O ATOM 155 CB ILE A 18 2.754 -12.651 -0.892 1.00 0.00 C ATOM 156 CG1 ILE A 18 1.811 -12.228 0.246 1.00 0.00 C ATOM 157 CG2 ILE A 18 2.589 -14.139 -1.218 1.00 0.00 C ATOM 158 CD1 ILE A 18 2.000 -12.977 1.555 1.00 0.00 C ATOM 0 H ILE A 18 3.524 -10.348 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 18 4.528 -12.936 0.308 1.00 0.00 H new ATOM 0 HB ILE A 18 2.488 -12.091 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.947 -11.163 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.782 -12.364 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.548 -14.343 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.223 -14.398 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.878 -14.735 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.289 -12.606 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.832 -14.042 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.015 -12.822 1.920 1.00 0.00 H new ATOM 170 N SER A 19 4.835 -11.764 -2.771 1.00 0.00 N ATOM 171 CA SER A 19 5.573 -11.755 -4.011 1.00 0.00 C ATOM 172 C SER A 19 5.307 -10.414 -4.680 1.00 0.00 C ATOM 173 O SER A 19 4.318 -9.745 -4.334 1.00 0.00 O ATOM 174 CB SER A 19 5.130 -12.914 -4.920 1.00 0.00 C ATOM 175 OG SER A 19 5.359 -14.169 -4.287 1.00 0.00 O ATOM 0 H SER A 19 4.068 -11.092 -2.761 1.00 0.00 H new ATOM 0 HA SER A 19 6.639 -11.888 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.072 -12.810 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.676 -12.872 -5.863 1.00 0.00 H new ATOM 0 HG SER A 19 5.743 -14.021 -3.397 1.00 0.00 H new ATOM 181 N GLY A 20 6.181 -9.996 -5.574 1.00 0.00 N ATOM 182 CA GLY A 20 6.018 -8.712 -6.231 1.00 0.00 C ATOM 183 C GLY A 20 6.455 -7.594 -5.310 1.00 0.00 C ATOM 184 O GLY A 20 6.092 -6.419 -5.497 1.00 0.00 O ATOM 0 H GLY A 20 7.006 -10.522 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.606 -8.688 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.976 -8.571 -6.516 1.00 0.00 H new ATOM 188 N SER A 21 7.239 -7.969 -4.326 1.00 0.00 N ATOM 189 CA SER A 21 7.723 -7.090 -3.308 1.00 0.00 C ATOM 190 C SER A 21 8.722 -6.099 -3.895 1.00 0.00 C ATOM 191 O SER A 21 9.796 -6.486 -4.369 1.00 0.00 O ATOM 192 CB SER A 21 8.377 -7.934 -2.224 1.00 0.00 C ATOM 193 OG SER A 21 7.510 -8.994 -1.831 1.00 0.00 O ATOM 0 H SER A 21 7.564 -8.930 -4.216 1.00 0.00 H new ATOM 0 HA SER A 21 6.899 -6.516 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.319 -8.343 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.614 -7.311 -1.362 1.00 0.00 H new ATOM 0 HG SER A 21 7.944 -9.530 -1.135 1.00 0.00 H new ATOM 199 N SER A 22 8.342 -4.852 -3.909 1.00 0.00 N ATOM 200 CA SER A 22 9.179 -3.807 -4.406 1.00 0.00 C ATOM 201 C SER A 22 9.612 -2.968 -3.217 1.00 0.00 C ATOM 202 O SER A 22 8.781 -2.261 -2.646 1.00 0.00 O ATOM 203 CB SER A 22 8.370 -2.972 -5.396 1.00 0.00 C ATOM 204 OG SER A 22 7.698 -3.831 -6.316 1.00 0.00 O ATOM 0 H SER A 22 7.433 -4.534 -3.572 1.00 0.00 H new ATOM 0 HA SER A 22 10.059 -4.197 -4.918 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.645 -2.358 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.029 -2.291 -5.935 1.00 0.00 H new ATOM 0 HG SER A 22 7.179 -3.291 -6.948 1.00 0.00 H new ATOM 210 N ASN A 23 10.897 -3.079 -2.845 1.00 0.00 N ATOM 211 CA ASN A 23 11.495 -2.447 -1.635 1.00 0.00 C ATOM 212 C ASN A 23 11.150 -3.278 -0.402 1.00 0.00 C ATOM 213 O ASN A 23 10.299 -4.172 -0.472 1.00 0.00 O ATOM 214 CB ASN A 23 11.068 -0.967 -1.409 1.00 0.00 C ATOM 215 CG ASN A 23 11.465 -0.008 -2.515 1.00 0.00 C ATOM 216 OD1 ASN A 23 10.581 0.211 -3.443 1.00 0.00 O flip ATOM 217 ND2 ASN A 23 12.548 0.575 -2.500 1.00 0.00 N flip ATOM 0 H ASN A 23 11.573 -3.621 -3.383 1.00 0.00 H new ATOM 0 HA ASN A 23 12.572 -2.426 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.985 -0.931 -1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.504 -0.618 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.221 0.382 -1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.773 1.252 -3.229 1.00 0.00 H new ATOM 224 N THR A 24 11.823 -3.038 0.705 1.00 0.00 N ATOM 225 CA THR A 24 11.519 -3.779 1.909 1.00 0.00 C ATOM 226 C THR A 24 10.858 -2.885 2.971 1.00 0.00 C ATOM 227 O THR A 24 10.058 -3.350 3.777 1.00 0.00 O ATOM 228 CB THR A 24 12.756 -4.559 2.467 1.00 0.00 C ATOM 229 OG1 THR A 24 12.389 -5.374 3.602 1.00 0.00 O ATOM 230 CG2 THR A 24 13.884 -3.620 2.854 1.00 0.00 C ATOM 0 H THR A 24 12.570 -2.349 0.795 1.00 0.00 H new ATOM 0 HA THR A 24 10.789 -4.541 1.635 1.00 0.00 H new ATOM 0 HB THR A 24 13.109 -5.207 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.179 -5.852 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.724 -4.199 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.202 -3.054 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.536 -2.932 3.625 1.00 0.00 H new ATOM 238 N LEU A 25 11.178 -1.608 2.960 1.00 0.00 N ATOM 239 CA LEU A 25 10.558 -0.663 3.870 1.00 0.00 C ATOM 240 C LEU A 25 9.567 0.174 3.101 1.00 0.00 C ATOM 241 O LEU A 25 8.432 0.376 3.522 1.00 0.00 O ATOM 242 CB LEU A 25 11.607 0.246 4.528 1.00 0.00 C ATOM 243 CG LEU A 25 12.632 -0.432 5.446 1.00 0.00 C ATOM 244 CD1 LEU A 25 13.669 0.578 5.907 1.00 0.00 C ATOM 245 CD2 LEU A 25 11.940 -1.051 6.655 1.00 0.00 C ATOM 0 H LEU A 25 11.866 -1.198 2.329 1.00 0.00 H new ATOM 0 HA LEU A 25 10.052 -1.216 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.150 0.765 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.083 1.006 5.107 1.00 0.00 H new ATOM 0 HG LEU A 25 13.128 -1.223 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.392 0.086 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.184 0.992 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.176 1.382 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.683 -1.527 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.423 -0.273 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.219 -1.796 6.319 1.00 0.00 H new ATOM 257 N THR A 26 9.986 0.613 1.945 1.00 0.00 N ATOM 258 CA THR A 26 9.184 1.448 1.095 1.00 0.00 C ATOM 259 C THR A 26 8.277 0.562 0.171 1.00 0.00 C ATOM 260 O THR A 26 7.831 1.003 -0.871 1.00 0.00 O ATOM 261 CB THR A 26 10.148 2.323 0.241 1.00 0.00 C ATOM 262 OG1 THR A 26 11.192 2.820 1.098 1.00 0.00 O ATOM 263 CG2 THR A 26 9.434 3.523 -0.365 1.00 0.00 C ATOM 0 H THR A 26 10.907 0.397 1.563 1.00 0.00 H new ATOM 0 HA THR A 26 8.530 2.085 1.690 1.00 0.00 H new ATOM 0 HB THR A 26 10.541 1.704 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.810 3.372 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.141 4.108 -0.953 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.625 3.178 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.025 4.143 0.432 1.00 0.00 H new ATOM 271 N THR A 27 7.983 -0.656 0.621 1.00 0.00 N ATOM 272 CA THR A 27 7.242 -1.676 -0.133 1.00 0.00 C ATOM 273 C THR A 27 5.904 -1.142 -0.684 1.00 0.00 C ATOM 274 O THR A 27 5.695 -1.052 -1.885 1.00 0.00 O ATOM 275 CB THR A 27 6.941 -2.826 0.818 1.00 0.00 C ATOM 276 OG1 THR A 27 8.017 -2.917 1.749 1.00 0.00 O ATOM 277 CG2 THR A 27 6.818 -4.140 0.063 1.00 0.00 C ATOM 0 H THR A 27 8.261 -0.974 1.549 1.00 0.00 H new ATOM 0 HA THR A 27 7.852 -1.986 -0.982 1.00 0.00 H new ATOM 0 HB THR A 27 5.995 -2.639 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.658 -3.049 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.603 -4.945 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.009 -4.067 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.754 -4.351 -0.455 1.00 0.00 H new ATOM 285 N CYS A 28 5.015 -0.811 0.209 1.00 0.00 N ATOM 286 CA CYS A 28 3.733 -0.247 -0.147 1.00 0.00 C ATOM 287 C CYS A 28 3.784 1.273 -0.256 1.00 0.00 C ATOM 288 O CYS A 28 2.809 1.917 -0.609 1.00 0.00 O ATOM 289 CB CYS A 28 2.629 -0.764 0.772 1.00 0.00 C ATOM 290 SG CYS A 28 2.263 -2.527 0.503 1.00 0.00 S ATOM 0 H CYS A 28 5.155 -0.924 1.213 1.00 0.00 H new ATOM 0 HA CYS A 28 3.478 -0.593 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.925 -0.612 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.723 -0.180 0.610 1.00 0.00 H new ATOM 295 N ARG A 29 4.936 1.821 0.074 1.00 0.00 N ATOM 296 CA ARG A 29 5.151 3.260 0.121 1.00 0.00 C ATOM 297 C ARG A 29 5.665 3.802 -1.231 1.00 0.00 C ATOM 298 O ARG A 29 5.876 5.004 -1.396 1.00 0.00 O ATOM 299 CB ARG A 29 6.151 3.585 1.257 1.00 0.00 C ATOM 300 CG ARG A 29 6.410 5.063 1.508 1.00 0.00 C ATOM 301 CD ARG A 29 7.420 5.287 2.618 1.00 0.00 C ATOM 302 NE ARG A 29 7.708 6.715 2.800 1.00 0.00 N ATOM 303 CZ ARG A 29 8.840 7.331 2.405 1.00 0.00 C ATOM 304 NH1 ARG A 29 9.805 6.639 1.811 1.00 0.00 N ATOM 305 NH2 ARG A 29 9.003 8.636 2.603 1.00 0.00 N ATOM 0 H ARG A 29 5.762 1.276 0.321 1.00 0.00 H new ATOM 0 HA ARG A 29 4.198 3.750 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.781 3.138 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.101 3.103 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.772 5.528 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.473 5.556 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.038 4.870 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.342 4.755 2.385 1.00 0.00 H new ATOM 0 HE ARG A 29 6.998 7.284 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.691 5.638 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.660 7.109 1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.268 9.179 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.863 9.094 2.301 1.00 0.00 H new ATOM 319 N ASN A 30 5.855 2.945 -2.188 1.00 0.00 N ATOM 320 CA ASN A 30 6.374 3.408 -3.465 1.00 0.00 C ATOM 321 C ASN A 30 5.324 3.265 -4.548 1.00 0.00 C ATOM 322 O ASN A 30 4.351 2.515 -4.390 1.00 0.00 O ATOM 323 CB ASN A 30 7.691 2.711 -3.862 1.00 0.00 C ATOM 324 CG ASN A 30 7.519 1.295 -4.350 1.00 0.00 C ATOM 325 OD1 ASN A 30 7.363 1.066 -5.523 1.00 0.00 O ATOM 326 ND2 ASN A 30 7.551 0.352 -3.464 1.00 0.00 N ATOM 0 H ASN A 30 5.668 1.944 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 30 6.613 4.465 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.177 3.296 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.361 2.708 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.442 -0.621 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.685 0.582 -2.479 1.00 0.00 H new ATOM 333 N SER A 31 5.532 3.958 -5.647 1.00 0.00 N ATOM 334 CA SER A 31 4.578 4.046 -6.739 1.00 0.00 C ATOM 335 C SER A 31 4.361 2.721 -7.507 1.00 0.00 C ATOM 336 O SER A 31 3.490 2.649 -8.372 1.00 0.00 O ATOM 337 CB SER A 31 5.017 5.157 -7.676 1.00 0.00 C ATOM 338 OG SER A 31 5.259 6.349 -6.932 1.00 0.00 O ATOM 0 H SER A 31 6.387 4.489 -5.813 1.00 0.00 H new ATOM 0 HA SER A 31 3.605 4.270 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.920 4.860 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.248 5.336 -8.428 1.00 0.00 H new ATOM 0 HG SER A 31 5.543 7.062 -7.541 1.00 0.00 H new ATOM 344 N ARG A 32 5.120 1.673 -7.184 1.00 0.00 N ATOM 345 CA ARG A 32 4.921 0.374 -7.832 1.00 0.00 C ATOM 346 C ARG A 32 3.845 -0.411 -7.079 1.00 0.00 C ATOM 347 O ARG A 32 3.465 -1.516 -7.469 1.00 0.00 O ATOM 348 CB ARG A 32 6.231 -0.430 -7.920 1.00 0.00 C ATOM 349 CG ARG A 32 7.353 0.312 -8.636 1.00 0.00 C ATOM 350 CD ARG A 32 8.646 -0.490 -8.660 1.00 0.00 C ATOM 351 NE ARG A 32 9.755 0.303 -9.222 1.00 0.00 N ATOM 352 CZ ARG A 32 10.966 -0.171 -9.580 1.00 0.00 C ATOM 353 NH1 ARG A 32 11.245 -1.470 -9.489 1.00 0.00 N ATOM 354 NH2 ARG A 32 11.894 0.665 -10.036 1.00 0.00 N ATOM 0 H ARG A 32 5.867 1.695 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 32 4.590 0.548 -8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.560 -0.685 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.038 -1.369 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.046 0.534 -9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.529 1.267 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.899 -0.808 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.505 -1.394 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 32 9.591 1.301 -9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.539 -2.120 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.165 -1.814 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.689 1.661 -10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.811 0.310 -10.308 1.00 0.00 H new ATOM 368 N CYS A 33 3.368 0.165 -5.988 1.00 0.00 N ATOM 369 CA CYS A 33 2.274 -0.400 -5.244 1.00 0.00 C ATOM 370 C CYS A 33 0.986 0.260 -5.731 1.00 0.00 C ATOM 371 O CYS A 33 0.909 1.499 -5.803 1.00 0.00 O ATOM 372 CB CYS A 33 2.460 -0.172 -3.737 1.00 0.00 C ATOM 373 SG CYS A 33 1.146 -0.871 -2.699 1.00 0.00 S ATOM 0 H CYS A 33 3.733 1.035 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 33 2.232 -1.477 -5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.414 -0.604 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.521 0.900 -3.550 1.00 0.00 H new ATOM 378 N PRO A 34 -0.031 -0.534 -6.117 1.00 0.00 N ATOM 379 CA PRO A 34 -1.291 0.001 -6.659 1.00 0.00 C ATOM 380 C PRO A 34 -2.031 0.889 -5.658 1.00 0.00 C ATOM 381 O PRO A 34 -2.623 1.892 -6.027 1.00 0.00 O ATOM 382 CB PRO A 34 -2.119 -1.253 -6.987 1.00 0.00 C ATOM 383 CG PRO A 34 -1.486 -2.357 -6.210 1.00 0.00 C ATOM 384 CD PRO A 34 -0.029 -2.010 -6.096 1.00 0.00 C ATOM 0 HA PRO A 34 -1.113 0.640 -7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.163 -1.120 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.104 -1.466 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.942 -2.450 -5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.620 -3.314 -6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.407 -2.399 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.549 -2.424 -6.922 1.00 0.00 H new ATOM 392 N CYS A 35 -1.941 0.532 -4.393 1.00 0.00 N ATOM 393 CA CYS A 35 -2.633 1.250 -3.334 1.00 0.00 C ATOM 394 C CYS A 35 -2.121 2.668 -3.196 1.00 0.00 C ATOM 395 O CYS A 35 -2.885 3.625 -3.327 1.00 0.00 O ATOM 396 CB CYS A 35 -2.462 0.512 -2.031 1.00 0.00 C ATOM 397 SG CYS A 35 -3.123 -1.149 -2.072 1.00 0.00 S ATOM 0 H CYS A 35 -1.389 -0.261 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.690 1.303 -3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.402 0.468 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.954 1.073 -1.236 1.00 0.00 H new ATOM 402 N TYR A 36 -0.828 2.781 -2.957 1.00 0.00 N ATOM 403 CA TYR A 36 -0.144 4.054 -2.776 1.00 0.00 C ATOM 404 C TYR A 36 -0.430 5.018 -3.921 1.00 0.00 C ATOM 405 O TYR A 36 -0.861 6.152 -3.692 1.00 0.00 O ATOM 406 CB TYR A 36 1.370 3.816 -2.658 1.00 0.00 C ATOM 407 CG TYR A 36 2.209 5.080 -2.556 1.00 0.00 C ATOM 408 CD1 TYR A 36 2.382 5.730 -1.348 1.00 0.00 C ATOM 409 CD2 TYR A 36 2.824 5.615 -3.680 1.00 0.00 C ATOM 410 CE1 TYR A 36 3.140 6.881 -1.260 1.00 0.00 C ATOM 411 CE2 TYR A 36 3.584 6.757 -3.605 1.00 0.00 C ATOM 412 CZ TYR A 36 3.739 7.389 -2.392 1.00 0.00 C ATOM 413 OH TYR A 36 4.498 8.536 -2.309 1.00 0.00 O ATOM 0 H TYR A 36 -0.208 1.975 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.520 4.509 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.559 3.200 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.702 3.245 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.917 5.331 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.702 5.123 -4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.262 7.380 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.056 7.156 -4.491 1.00 0.00 H new ATOM 0 HH TYR A 36 4.851 8.760 -3.196 1.00 0.00 H new ATOM 423 N LYS A 37 -0.233 4.536 -5.135 1.00 0.00 N ATOM 424 CA LYS A 37 -0.354 5.353 -6.330 1.00 0.00 C ATOM 425 C LYS A 37 -1.808 5.848 -6.498 1.00 0.00 C ATOM 426 O LYS A 37 -2.045 7.004 -6.864 1.00 0.00 O ATOM 427 CB LYS A 37 0.109 4.533 -7.558 1.00 0.00 C ATOM 428 CG LYS A 37 0.826 5.336 -8.658 1.00 0.00 C ATOM 429 CD LYS A 37 -0.057 6.402 -9.286 1.00 0.00 C ATOM 430 CE LYS A 37 0.695 7.209 -10.331 1.00 0.00 C ATOM 431 NZ LYS A 37 -0.138 8.290 -10.895 1.00 0.00 N ATOM 0 H LYS A 37 0.016 3.564 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 37 0.283 6.233 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.777 3.743 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.762 4.046 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.713 5.809 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.169 4.652 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.926 5.931 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.430 7.070 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.592 7.637 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.024 6.548 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.411 8.817 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.981 7.880 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.431 8.935 -10.134 1.00 0.00 H new ATOM 445 N SER A 38 -2.764 4.998 -6.172 1.00 0.00 N ATOM 446 CA SER A 38 -4.170 5.343 -6.304 1.00 0.00 C ATOM 447 C SER A 38 -4.730 6.046 -5.043 1.00 0.00 C ATOM 448 O SER A 38 -5.942 6.267 -4.944 1.00 0.00 O ATOM 449 CB SER A 38 -4.972 4.091 -6.629 1.00 0.00 C ATOM 450 OG SER A 38 -4.484 3.479 -7.814 1.00 0.00 O ATOM 0 H SER A 38 -2.593 4.059 -5.812 1.00 0.00 H new ATOM 0 HA SER A 38 -4.263 6.059 -7.121 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.911 3.388 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.024 4.348 -6.753 1.00 0.00 H new ATOM 0 HG SER A 38 -3.784 2.832 -7.584 1.00 0.00 H new ATOM 456 N TYR A 39 -3.837 6.397 -4.096 1.00 0.00 N ATOM 457 CA TYR A 39 -4.186 7.135 -2.858 1.00 0.00 C ATOM 458 C TYR A 39 -4.991 6.291 -1.867 1.00 0.00 C ATOM 459 O TYR A 39 -5.668 6.828 -0.973 1.00 0.00 O ATOM 460 CB TYR A 39 -4.910 8.467 -3.167 1.00 0.00 C ATOM 461 CG TYR A 39 -4.057 9.443 -3.937 1.00 0.00 C ATOM 462 CD1 TYR A 39 -3.164 10.267 -3.278 1.00 0.00 C ATOM 463 CD2 TYR A 39 -4.125 9.524 -5.320 1.00 0.00 C ATOM 464 CE1 TYR A 39 -2.366 11.145 -3.969 1.00 0.00 C ATOM 465 CE2 TYR A 39 -3.324 10.395 -6.023 1.00 0.00 C ATOM 466 CZ TYR A 39 -2.445 11.204 -5.342 1.00 0.00 C ATOM 467 OH TYR A 39 -1.624 12.066 -6.036 1.00 0.00 O ATOM 0 H TYR A 39 -2.844 6.176 -4.166 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.238 7.370 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.815 8.257 -3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.223 8.928 -2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.093 10.219 -2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.819 8.892 -5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.679 11.787 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.385 10.443 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.803 11.986 -6.996 1.00 0.00 H new ATOM 477 N ASN A 40 -4.852 4.998 -1.969 1.00 0.00 N ATOM 478 CA ASN A 40 -5.547 4.084 -1.085 1.00 0.00 C ATOM 479 C ASN A 40 -4.598 3.536 -0.051 1.00 0.00 C ATOM 480 O ASN A 40 -3.360 3.589 -0.218 1.00 0.00 O ATOM 481 CB ASN A 40 -6.227 2.923 -1.841 1.00 0.00 C ATOM 482 CG ASN A 40 -7.418 3.357 -2.678 1.00 0.00 C ATOM 483 OD1 ASN A 40 -8.538 3.426 -2.194 1.00 0.00 O ATOM 484 ND2 ASN A 40 -7.201 3.614 -3.933 1.00 0.00 N ATOM 0 H ASN A 40 -4.258 4.543 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.336 4.656 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.493 2.444 -2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.554 2.173 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.976 3.881 -4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.256 3.549 -4.311 1.00 0.00 H new ATOM 491 N SER A 41 -5.148 3.024 0.993 1.00 0.00 N ATOM 492 CA SER A 41 -4.387 2.470 2.060 1.00 0.00 C ATOM 493 C SER A 41 -4.371 0.963 1.939 1.00 0.00 C ATOM 494 O SER A 41 -5.137 0.382 1.152 1.00 0.00 O ATOM 495 CB SER A 41 -4.989 2.901 3.394 1.00 0.00 C ATOM 496 OG SER A 41 -6.350 2.528 3.515 1.00 0.00 O ATOM 0 H SER A 41 -6.157 2.977 1.133 1.00 0.00 H new ATOM 0 HA SER A 41 -3.360 2.833 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.418 2.455 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.900 3.982 3.498 1.00 0.00 H new ATOM 0 HG SER A 41 -6.745 2.437 2.623 1.00 0.00 H new ATOM 502 N CYS A 42 -3.538 0.318 2.704 1.00 0.00 N ATOM 503 CA CYS A 42 -3.482 -1.098 2.670 1.00 0.00 C ATOM 504 C CYS A 42 -4.330 -1.685 3.740 1.00 0.00 C ATOM 505 O CYS A 42 -3.855 -2.122 4.796 1.00 0.00 O ATOM 506 CB CYS A 42 -2.070 -1.643 2.659 1.00 0.00 C ATOM 507 SG CYS A 42 -1.207 -1.267 1.134 1.00 0.00 S ATOM 0 H CYS A 42 -2.891 0.760 3.357 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.901 -1.414 1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.516 -1.226 3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.099 -2.723 2.801 1.00 0.00 H new ATOM 512 N ALA A 43 -5.593 -1.586 3.489 1.00 0.00 N ATOM 513 CA ALA A 43 -6.614 -2.133 4.312 1.00 0.00 C ATOM 514 C ALA A 43 -7.353 -3.155 3.485 1.00 0.00 C ATOM 515 O ALA A 43 -7.995 -2.803 2.483 1.00 0.00 O ATOM 516 CB ALA A 43 -7.560 -1.033 4.766 1.00 0.00 C ATOM 0 H ALA A 43 -5.955 -1.100 2.668 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.191 -2.596 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.340 -1.461 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.004 -0.286 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.015 -0.562 3.895 1.00 0.00 H new ATOM 522 N GLY A 44 -7.195 -4.404 3.836 1.00 0.00 N ATOM 523 CA GLY A 44 -7.841 -5.458 3.092 1.00 0.00 C ATOM 524 C GLY A 44 -6.886 -6.089 2.105 1.00 0.00 C ATOM 525 O GLY A 44 -7.292 -6.827 1.205 1.00 0.00 O ATOM 0 H GLY A 44 -6.630 -4.717 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.213 -6.218 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.705 -5.057 2.562 1.00 0.00 H new ATOM 529 N CYS A 45 -5.616 -5.795 2.275 1.00 0.00 N ATOM 530 CA CYS A 45 -4.567 -6.305 1.418 1.00 0.00 C ATOM 531 C CYS A 45 -3.941 -7.524 2.050 1.00 0.00 C ATOM 532 O CYS A 45 -4.218 -7.850 3.191 1.00 0.00 O ATOM 533 CB CYS A 45 -3.469 -5.257 1.231 1.00 0.00 C ATOM 534 SG CYS A 45 -3.986 -3.732 0.447 1.00 0.00 S ATOM 0 H CYS A 45 -5.278 -5.188 3.021 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.010 -6.554 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.048 -5.019 2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.668 -5.697 0.637 1.00 0.00 H new ATOM 539 N HIS A 46 -3.116 -8.197 1.309 1.00 0.00 N ATOM 540 CA HIS A 46 -2.350 -9.310 1.829 1.00 0.00 C ATOM 541 C HIS A 46 -0.889 -9.003 1.673 1.00 0.00 C ATOM 542 O HIS A 46 -0.097 -9.827 1.237 1.00 0.00 O ATOM 543 CB HIS A 46 -2.732 -10.653 1.184 1.00 0.00 C ATOM 544 CG HIS A 46 -4.068 -11.172 1.629 1.00 0.00 C ATOM 545 ND1 HIS A 46 -4.241 -11.961 2.750 1.00 0.00 N ATOM 546 CD2 HIS A 46 -5.301 -11.000 1.111 1.00 0.00 C ATOM 547 CE1 HIS A 46 -5.512 -12.244 2.893 1.00 0.00 C ATOM 548 NE2 HIS A 46 -6.175 -11.673 1.917 1.00 0.00 N ATOM 0 H HIS A 46 -2.948 -7.997 0.323 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.585 -9.430 2.887 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.739 -10.538 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.967 -11.392 1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.551 -10.436 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.941 -12.845 3.681 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.185 -11.723 1.781 1.00 0.00 H new ATOM 557 N CYS A 47 -0.552 -7.788 2.016 1.00 0.00 N ATOM 558 CA CYS A 47 0.799 -7.317 1.940 1.00 0.00 C ATOM 559 C CYS A 47 1.502 -7.516 3.273 1.00 0.00 C ATOM 560 O CYS A 47 0.857 -7.530 4.322 1.00 0.00 O ATOM 561 CB CYS A 47 0.851 -5.843 1.475 1.00 0.00 C ATOM 562 SG CYS A 47 -0.185 -4.690 2.404 1.00 0.00 S ATOM 0 H CYS A 47 -1.216 -7.094 2.359 1.00 0.00 H new ATOM 0 HA CYS A 47 1.331 -7.904 1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.884 -5.500 1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.558 -5.802 0.426 1.00 0.00 H new ATOM 567 N VAL A 48 2.802 -7.694 3.212 1.00 0.00 N ATOM 568 CA VAL A 48 3.645 -7.939 4.366 1.00 0.00 C ATOM 569 C VAL A 48 4.816 -6.963 4.301 1.00 0.00 C ATOM 570 O VAL A 48 5.465 -6.838 3.254 1.00 0.00 O ATOM 571 CB VAL A 48 4.192 -9.407 4.381 1.00 0.00 C ATOM 572 CG1 VAL A 48 5.052 -9.666 5.612 1.00 0.00 C ATOM 573 CG2 VAL A 48 3.054 -10.422 4.313 1.00 0.00 C ATOM 0 H VAL A 48 3.320 -7.672 2.333 1.00 0.00 H new ATOM 0 HA VAL A 48 3.059 -7.798 5.274 1.00 0.00 H new ATOM 0 HB VAL A 48 4.815 -9.527 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.416 -10.693 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.900 -8.981 5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.456 -9.509 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.465 -11.431 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.395 -10.288 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.487 -10.272 3.394 1.00 0.00 H new ATOM 583 N GLY A 49 5.077 -6.279 5.393 1.00 0.00 N ATOM 584 CA GLY A 49 6.107 -5.264 5.413 1.00 0.00 C ATOM 585 C GLY A 49 5.573 -4.015 4.776 1.00 0.00 C ATOM 586 O GLY A 49 6.229 -3.372 3.941 1.00 0.00 O ATOM 0 H GLY A 49 4.590 -6.407 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.416 -5.061 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.990 -5.613 4.877 1.00 0.00 H new ATOM 590 N CYS A 50 4.372 -3.672 5.171 1.00 0.00 N ATOM 591 CA CYS A 50 3.656 -2.609 4.576 1.00 0.00 C ATOM 592 C CYS A 50 3.749 -1.335 5.355 1.00 0.00 C ATOM 593 O CYS A 50 3.206 -1.215 6.468 1.00 0.00 O ATOM 594 CB CYS A 50 2.192 -2.978 4.419 1.00 0.00 C ATOM 595 SG CYS A 50 1.160 -1.583 3.943 1.00 0.00 S ATOM 0 H CYS A 50 3.871 -4.140 5.927 1.00 0.00 H new ATOM 0 HA CYS A 50 4.116 -2.442 3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.100 -3.763 3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.825 -3.390 5.359 1.00 0.00 H new ATOM 600 N LYS A 51 4.435 -0.406 4.806 1.00 0.00 N ATOM 601 CA LYS A 51 4.392 0.917 5.301 1.00 0.00 C ATOM 602 C LYS A 51 3.739 1.741 4.231 1.00 0.00 C ATOM 603 O LYS A 51 4.368 2.081 3.242 1.00 0.00 O ATOM 604 CB LYS A 51 5.788 1.459 5.626 1.00 0.00 C ATOM 605 CG LYS A 51 6.533 0.671 6.694 1.00 0.00 C ATOM 606 CD LYS A 51 7.863 1.325 7.060 1.00 0.00 C ATOM 607 CE LYS A 51 7.659 2.700 7.705 1.00 0.00 C ATOM 608 NZ LYS A 51 8.936 3.313 8.118 1.00 0.00 N ATOM 0 H LYS A 51 5.044 -0.541 3.999 1.00 0.00 H new ATOM 0 HA LYS A 51 3.835 0.953 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.384 1.465 4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.696 2.495 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.911 0.590 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.713 -0.343 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.410 0.678 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.476 1.430 6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.152 3.359 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.008 2.600 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.752 4.241 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.409 2.697 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.549 3.433 7.286 1.00 0.00 H new ATOM 622 N ASN A 52 2.461 1.933 4.356 1.00 0.00 N ATOM 623 CA ASN A 52 1.729 2.760 3.417 1.00 0.00 C ATOM 624 C ASN A 52 1.395 4.075 4.103 1.00 0.00 C ATOM 625 O ASN A 52 0.653 4.084 5.077 1.00 0.00 O ATOM 626 CB ASN A 52 0.427 2.062 2.970 1.00 0.00 C ATOM 627 CG ASN A 52 -0.336 2.802 1.855 1.00 0.00 C ATOM 628 OD1 ASN A 52 -0.233 4.013 1.683 1.00 0.00 O ATOM 629 ND2 ASN A 52 -1.128 2.078 1.114 1.00 0.00 N ATOM 0 H ASN A 52 1.892 1.530 5.100 1.00 0.00 H new ATOM 0 HA ASN A 52 2.340 2.933 2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.667 1.056 2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.229 1.954 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.677 2.517 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.199 1.073 1.274 1.00 0.00 H new ATOM 636 N PRO A 53 1.949 5.201 3.620 1.00 0.00 N ATOM 637 CA PRO A 53 1.699 6.539 4.195 1.00 0.00 C ATOM 638 C PRO A 53 0.232 6.965 4.115 1.00 0.00 C ATOM 639 O PRO A 53 -0.181 7.936 4.759 1.00 0.00 O ATOM 640 CB PRO A 53 2.538 7.469 3.325 1.00 0.00 C ATOM 641 CG PRO A 53 3.557 6.595 2.710 1.00 0.00 C ATOM 642 CD PRO A 53 2.901 5.264 2.513 1.00 0.00 C ATOM 0 HA PRO A 53 1.950 6.557 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.927 7.959 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.000 8.257 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.899 7.005 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.433 6.506 3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.401 5.199 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.623 4.448 2.554 1.00 0.00 H new ATOM 650 N HIS A 54 -0.544 6.261 3.328 1.00 0.00 N ATOM 651 CA HIS A 54 -1.940 6.559 3.196 1.00 0.00 C ATOM 652 C HIS A 54 -2.702 5.697 4.158 1.00 0.00 C ATOM 653 O HIS A 54 -2.409 4.505 4.315 1.00 0.00 O ATOM 654 CB HIS A 54 -2.470 6.303 1.773 1.00 0.00 C ATOM 655 CG HIS A 54 -1.756 7.037 0.689 1.00 0.00 C ATOM 656 ND1 HIS A 54 -2.095 8.298 0.264 1.00 0.00 N ATOM 657 CD2 HIS A 54 -0.716 6.665 -0.068 1.00 0.00 C ATOM 658 CE1 HIS A 54 -1.293 8.661 -0.706 1.00 0.00 C ATOM 659 NE2 HIS A 54 -0.447 7.692 -0.929 1.00 0.00 N ATOM 0 H HIS A 54 -0.224 5.472 2.767 1.00 0.00 H new ATOM 0 HA HIS A 54 -2.076 7.619 3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -2.410 5.234 1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.525 6.575 1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.187 5.725 -0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.326 9.603 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.293 7.700 -1.631 1.00 0.00 H new ATOM 668 N LYS A 55 -3.638 6.286 4.803 1.00 0.00 N ATOM 669 CA LYS A 55 -4.505 5.602 5.716 1.00 0.00 C ATOM 670 C LYS A 55 -5.894 6.088 5.508 1.00 0.00 C ATOM 671 O LYS A 55 -6.181 7.271 5.714 1.00 0.00 O ATOM 672 CB LYS A 55 -4.132 5.822 7.187 1.00 0.00 C ATOM 673 CG LYS A 55 -2.870 5.139 7.666 1.00 0.00 C ATOM 674 CD LYS A 55 -2.709 5.356 9.160 1.00 0.00 C ATOM 675 CE LYS A 55 -1.503 4.638 9.727 1.00 0.00 C ATOM 676 NZ LYS A 55 -0.243 5.092 9.118 1.00 0.00 N ATOM 0 H LYS A 55 -3.836 7.283 4.716 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.408 4.536 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.027 6.894 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.962 5.481 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.916 4.072 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.005 5.537 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.619 6.424 9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.607 5.010 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.461 4.798 10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.614 3.565 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.560 4.674 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.212 4.795 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.185 6.129 9.172 1.00 0.00 H new ATOM 690 N GLU A 56 -6.748 5.216 5.085 1.00 0.00 N ATOM 691 CA GLU A 56 -8.117 5.540 4.956 1.00 0.00 C ATOM 692 C GLU A 56 -8.738 5.353 6.305 1.00 0.00 C ATOM 693 O GLU A 56 -9.178 4.256 6.664 1.00 0.00 O ATOM 694 CB GLU A 56 -8.766 4.679 3.905 1.00 0.00 C ATOM 695 CG GLU A 56 -8.205 4.928 2.522 1.00 0.00 C ATOM 696 CD GLU A 56 -8.619 3.884 1.548 1.00 0.00 C ATOM 697 OE1 GLU A 56 -9.745 3.937 1.045 1.00 0.00 O ATOM 698 OE2 GLU A 56 -7.821 2.952 1.297 1.00 0.00 O ATOM 0 H GLU A 56 -6.510 4.260 4.821 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.254 6.570 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.629 3.629 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.839 4.868 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.537 5.904 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.117 4.961 2.575 1.00 0.00 H new ATOM 705 N ASP A 57 -8.630 6.396 7.086 1.00 0.00 N ATOM 706 CA ASP A 57 -9.089 6.430 8.447 1.00 0.00 C ATOM 707 C ASP A 57 -10.589 6.448 8.445 1.00 0.00 C ATOM 708 O ASP A 57 -11.224 7.497 8.359 1.00 0.00 O ATOM 709 CB ASP A 57 -8.562 7.670 9.120 1.00 0.00 C ATOM 710 CG ASP A 57 -8.794 7.708 10.604 1.00 0.00 C ATOM 711 OD1 ASP A 57 -9.831 8.225 11.050 1.00 0.00 O ATOM 712 OD2 ASP A 57 -7.923 7.245 11.356 1.00 0.00 O ATOM 0 H ASP A 57 -8.206 7.272 6.781 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.732 5.554 8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.492 7.748 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.031 8.544 8.667 1.00 0.00 H new ATOM 717 N TYR A 58 -11.127 5.301 8.441 1.00 0.00 N ATOM 718 CA TYR A 58 -12.533 5.119 8.344 1.00 0.00 C ATOM 719 C TYR A 58 -13.138 5.022 9.724 1.00 0.00 C ATOM 720 O TYR A 58 -12.925 4.034 10.454 1.00 0.00 O ATOM 721 CB TYR A 58 -12.844 3.873 7.499 1.00 0.00 C ATOM 722 CG TYR A 58 -14.312 3.667 7.216 1.00 0.00 C ATOM 723 CD1 TYR A 58 -14.951 4.391 6.222 1.00 0.00 C ATOM 724 CD2 TYR A 58 -15.057 2.755 7.937 1.00 0.00 C ATOM 725 CE1 TYR A 58 -16.290 4.214 5.960 1.00 0.00 C ATOM 726 CE2 TYR A 58 -16.393 2.571 7.677 1.00 0.00 C ATOM 727 CZ TYR A 58 -17.008 3.302 6.691 1.00 0.00 C ATOM 728 OH TYR A 58 -18.356 3.121 6.439 1.00 0.00 O ATOM 0 H TYR A 58 -10.599 4.431 8.506 1.00 0.00 H new ATOM 0 HA TYR A 58 -12.978 5.980 7.845 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -12.310 3.948 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.458 2.993 8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -14.388 5.107 5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -14.582 2.178 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -16.773 4.789 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -16.960 1.851 8.248 1.00 0.00 H new ATOM 0 HH TYR A 58 -18.713 2.438 7.044 1.00 0.00 H new ATOM 738 N VAL A 59 -13.851 6.042 10.090 1.00 0.00 N ATOM 739 CA VAL A 59 -14.504 6.100 11.355 1.00 0.00 C ATOM 740 C VAL A 59 -15.948 5.617 11.210 1.00 0.00 C ATOM 741 O VAL A 59 -16.238 4.470 11.606 1.00 0.00 O ATOM 742 CB VAL A 59 -14.391 7.517 12.034 1.00 0.00 C ATOM 743 CG1 VAL A 59 -14.916 8.650 11.151 1.00 0.00 C ATOM 744 CG2 VAL A 59 -15.073 7.525 13.394 1.00 0.00 C ATOM 745 OXT VAL A 59 -16.784 6.328 10.617 1.00 0.00 O ATOM 0 H VAL A 59 -13.996 6.867 9.508 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.990 5.426 12.040 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.327 7.706 12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.810 9.599 11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.345 8.683 10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.968 8.477 10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.981 8.515 13.842 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.128 7.278 13.274 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.600 6.788 14.043 1.00 0.00 H new TER 755 VAL A 59 HETATM 756 ZN ZN A 101 1.376 -2.889 -1.609 1.00 0.00 ZN HETATM 757 ZN ZN A 102 -2.254 -2.519 -0.469 1.00 0.00 ZN HETATM 758 ZN ZN A 103 0.506 -2.529 1.986 1.00 0.00 ZN