USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 304 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0436 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.143 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 51:sc= 0.44 USER MOD Single : A 9 LYS NZ :NH3+ -145:sc= 0.563 (180deg=0.097) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.237 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= -0.529 (180deg=-0.95) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 138:sc= -0.445 (180deg=-1.46!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00614 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.410 24.110 5.508 1.00 0.00 N ATOM 2 CA GLY A 1 -9.008 22.809 6.011 1.00 0.00 C ATOM 3 C GLY A 1 -8.605 21.858 4.902 1.00 0.00 C ATOM 4 O GLY A 1 -9.026 22.016 3.756 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.702 24.821 5.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.484 24.074 4.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.333 24.368 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.173 22.932 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.830 22.373 6.579 1.00 0.00 H new ATOM 8 N SER A 2 -7.785 20.869 5.242 1.00 0.00 N ATOM 9 CA SER A 2 -7.320 19.891 4.264 1.00 0.00 C ATOM 10 C SER A 2 -8.494 19.128 3.659 1.00 0.00 C ATOM 11 O SER A 2 -8.550 18.912 2.448 1.00 0.00 O ATOM 12 CB SER A 2 -6.342 18.912 4.916 1.00 0.00 C ATOM 13 OG SER A 2 -6.896 18.345 6.091 1.00 0.00 O ATOM 0 H SER A 2 -7.429 20.723 6.187 1.00 0.00 H new ATOM 0 HA SER A 2 -6.808 20.427 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.090 18.120 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.414 19.429 5.160 1.00 0.00 H new ATOM 0 HG SER A 2 -6.253 17.722 6.488 1.00 0.00 H new ATOM 19 N SER A 3 -9.430 18.722 4.511 1.00 0.00 N ATOM 20 CA SER A 3 -10.602 17.979 4.062 1.00 0.00 C ATOM 21 C SER A 3 -10.232 17.002 2.950 1.00 0.00 C ATOM 22 O SER A 3 -10.959 16.858 1.967 1.00 0.00 O ATOM 23 CB SER A 3 -11.685 18.941 3.571 1.00 0.00 C ATOM 24 OG SER A 3 -11.177 19.821 2.584 1.00 0.00 O ATOM 0 H SER A 3 -9.400 18.895 5.516 1.00 0.00 H new ATOM 0 HA SER A 3 -10.988 17.411 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.521 18.374 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.072 19.517 4.411 1.00 0.00 H new ATOM 0 HG SER A 3 -11.889 20.424 2.286 1.00 0.00 H new ATOM 30 N GLY A 4 -9.096 16.331 3.113 1.00 0.00 N ATOM 31 CA GLY A 4 -8.648 15.376 2.116 1.00 0.00 C ATOM 32 C GLY A 4 -7.590 14.432 2.652 1.00 0.00 C ATOM 33 O GLY A 4 -7.830 13.700 3.612 1.00 0.00 O ATOM 0 H GLY A 4 -8.478 16.432 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.501 14.797 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.249 15.914 1.256 1.00 0.00 H new ATOM 37 N SER A 5 -6.416 14.447 2.029 1.00 0.00 N ATOM 38 CA SER A 5 -5.319 13.581 2.446 1.00 0.00 C ATOM 39 C SER A 5 -4.009 14.360 2.516 1.00 0.00 C ATOM 40 O SER A 5 -3.637 15.058 1.572 1.00 0.00 O ATOM 41 CB SER A 5 -5.174 12.405 1.479 1.00 0.00 C ATOM 42 OG SER A 5 -5.994 11.318 1.872 1.00 0.00 O ATOM 0 H SER A 5 -6.200 15.049 1.234 1.00 0.00 H new ATOM 0 HA SER A 5 -5.548 13.199 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.444 12.723 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.133 12.085 1.444 1.00 0.00 H new ATOM 0 HG SER A 5 -5.885 10.580 1.237 1.00 0.00 H new ATOM 48 N SER A 6 -3.314 14.236 3.642 1.00 0.00 N ATOM 49 CA SER A 6 -2.047 14.931 3.839 1.00 0.00 C ATOM 50 C SER A 6 -0.895 14.147 3.216 1.00 0.00 C ATOM 51 O SER A 6 -0.164 13.441 3.909 1.00 0.00 O ATOM 52 CB SER A 6 -1.785 15.145 5.331 1.00 0.00 C ATOM 53 OG SER A 6 -1.841 13.920 6.040 1.00 0.00 O ATOM 0 H SER A 6 -3.607 13.661 4.432 1.00 0.00 H new ATOM 0 HA SER A 6 -2.112 15.901 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.806 15.604 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.522 15.838 5.737 1.00 0.00 H new ATOM 0 HG SER A 6 -1.270 13.259 5.596 1.00 0.00 H new ATOM 59 N GLY A 7 -0.740 14.279 1.902 1.00 0.00 N ATOM 60 CA GLY A 7 0.323 13.578 1.207 1.00 0.00 C ATOM 61 C GLY A 7 -0.071 13.176 -0.200 1.00 0.00 C ATOM 62 O GLY A 7 -0.894 12.280 -0.390 1.00 0.00 O ATOM 0 H GLY A 7 -1.332 14.859 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.207 14.214 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.597 12.688 1.773 1.00 0.00 H new ATOM 66 N VAL A 8 0.517 13.839 -1.191 1.00 0.00 N ATOM 67 CA VAL A 8 0.223 13.546 -2.588 1.00 0.00 C ATOM 68 C VAL A 8 0.669 12.137 -2.960 1.00 0.00 C ATOM 69 O VAL A 8 1.852 11.890 -3.195 1.00 0.00 O ATOM 70 CB VAL A 8 0.907 14.555 -3.530 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.633 14.201 -4.983 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.444 15.971 -3.221 1.00 0.00 C ATOM 0 H VAL A 8 1.200 14.583 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.858 13.625 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 8 1.984 14.505 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.124 14.925 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.019 13.204 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.441 14.220 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.937 16.671 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.636 16.038 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.698 16.220 -2.191 1.00 0.00 H new ATOM 82 N LYS A 9 -0.286 11.215 -3.013 1.00 0.00 N ATOM 83 CA LYS A 9 0.007 9.829 -3.358 1.00 0.00 C ATOM 84 C LYS A 9 -0.473 9.507 -4.770 1.00 0.00 C ATOM 85 O LYS A 9 -1.593 9.041 -4.980 1.00 0.00 O ATOM 86 CB LYS A 9 -0.655 8.881 -2.355 1.00 0.00 C ATOM 87 CG LYS A 9 -0.075 8.976 -0.955 1.00 0.00 C ATOM 88 CD LYS A 9 -0.990 8.331 0.073 1.00 0.00 C ATOM 89 CE LYS A 9 -2.035 9.312 0.582 1.00 0.00 C ATOM 90 NZ LYS A 9 -1.482 10.218 1.627 1.00 0.00 N ATOM 0 H LYS A 9 -1.270 11.403 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 9 1.088 9.692 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.722 9.098 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.552 7.857 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.901 8.490 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.084 10.023 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.486 7.467 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.397 7.963 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.412 9.906 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.882 8.761 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.218 10.424 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.674 9.758 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.167 11.106 1.186 1.00 0.00 H new ATOM 104 N PRO A 10 0.394 9.759 -5.762 1.00 0.00 N ATOM 105 CA PRO A 10 0.082 9.502 -7.171 1.00 0.00 C ATOM 106 C PRO A 10 0.005 8.011 -7.485 1.00 0.00 C ATOM 107 O PRO A 10 -0.733 7.592 -8.377 1.00 0.00 O ATOM 108 CB PRO A 10 1.252 10.146 -7.918 1.00 0.00 C ATOM 109 CG PRO A 10 2.376 10.139 -6.939 1.00 0.00 C ATOM 110 CD PRO A 10 1.746 10.315 -5.585 1.00 0.00 C ATOM 0 HA PRO A 10 -0.892 9.902 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.506 9.583 -8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.009 11.160 -8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.934 9.204 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.081 10.943 -7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.301 9.784 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.714 11.364 -5.290 1.00 0.00 H new ATOM 118 N TYR A 11 0.772 7.216 -6.747 1.00 0.00 N ATOM 119 CA TYR A 11 0.792 5.772 -6.948 1.00 0.00 C ATOM 120 C TYR A 11 -0.165 5.075 -5.986 1.00 0.00 C ATOM 121 O TYR A 11 0.186 4.788 -4.843 1.00 0.00 O ATOM 122 CB TYR A 11 2.209 5.230 -6.759 1.00 0.00 C ATOM 123 CG TYR A 11 3.280 6.105 -7.371 1.00 0.00 C ATOM 124 CD1 TYR A 11 3.510 6.100 -8.741 1.00 0.00 C ATOM 125 CD2 TYR A 11 4.062 6.937 -6.579 1.00 0.00 C ATOM 126 CE1 TYR A 11 4.487 6.897 -9.304 1.00 0.00 C ATOM 127 CE2 TYR A 11 5.040 7.739 -7.133 1.00 0.00 C ATOM 128 CZ TYR A 11 5.249 7.715 -8.497 1.00 0.00 C ATOM 129 OH TYR A 11 6.224 8.512 -9.053 1.00 0.00 O ATOM 0 H TYR A 11 1.388 7.547 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 11 0.465 5.567 -7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.407 5.120 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.270 4.235 -7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.914 5.462 -9.377 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.902 6.957 -5.511 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.653 6.880 -10.371 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.638 8.381 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 11 6.668 9.027 -8.347 1.00 0.00 H new ATOM 139 N GLY A 12 -1.377 4.803 -6.460 1.00 0.00 N ATOM 140 CA GLY A 12 -2.367 4.141 -5.631 1.00 0.00 C ATOM 141 C GLY A 12 -3.045 2.989 -6.345 1.00 0.00 C ATOM 142 O GLY A 12 -3.879 3.200 -7.226 1.00 0.00 O ATOM 0 H GLY A 12 -1.691 5.029 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.888 3.771 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.120 4.866 -5.321 1.00 0.00 H new ATOM 146 N CYS A 13 -2.686 1.767 -5.967 1.00 0.00 N ATOM 147 CA CYS A 13 -3.264 0.576 -6.579 1.00 0.00 C ATOM 148 C CYS A 13 -4.788 0.654 -6.587 1.00 0.00 C ATOM 149 O CYS A 13 -5.400 1.145 -5.639 1.00 0.00 O ATOM 150 CB CYS A 13 -2.810 -0.678 -5.831 1.00 0.00 C ATOM 151 SG CYS A 13 -3.407 -2.237 -6.562 1.00 0.00 S ATOM 0 H CYS A 13 -1.997 1.575 -5.240 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.915 0.522 -7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.721 -0.696 -5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.155 -0.617 -4.799 1.00 0.00 H new ATOM 156 N SER A 14 -5.394 0.165 -7.664 1.00 0.00 N ATOM 157 CA SER A 14 -6.846 0.182 -7.798 1.00 0.00 C ATOM 158 C SER A 14 -7.440 -1.180 -7.449 1.00 0.00 C ATOM 159 O SER A 14 -8.516 -1.266 -6.859 1.00 0.00 O ATOM 160 CB SER A 14 -7.244 0.575 -9.222 1.00 0.00 C ATOM 161 OG SER A 14 -7.231 1.982 -9.385 1.00 0.00 O ATOM 0 H SER A 14 -4.902 -0.248 -8.456 1.00 0.00 H new ATOM 0 HA SER A 14 -7.242 0.921 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.558 0.117 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.239 0.189 -9.445 1.00 0.00 H new ATOM 0 HG SER A 14 -7.487 2.207 -10.304 1.00 0.00 H new ATOM 167 N GLU A 15 -6.729 -2.240 -7.819 1.00 0.00 N ATOM 168 CA GLU A 15 -7.185 -3.598 -7.546 1.00 0.00 C ATOM 169 C GLU A 15 -7.715 -3.718 -6.120 1.00 0.00 C ATOM 170 O GLU A 15 -8.865 -4.101 -5.903 1.00 0.00 O ATOM 171 CB GLU A 15 -6.046 -4.596 -7.764 1.00 0.00 C ATOM 172 CG GLU A 15 -5.769 -4.893 -9.229 1.00 0.00 C ATOM 173 CD GLU A 15 -5.029 -3.766 -9.923 1.00 0.00 C ATOM 174 OE1 GLU A 15 -4.287 -3.033 -9.237 1.00 0.00 O ATOM 175 OE2 GLU A 15 -5.192 -3.619 -11.152 1.00 0.00 O ATOM 0 H GLU A 15 -5.836 -2.185 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.996 -3.827 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.139 -4.205 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.288 -5.528 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.183 -5.809 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.713 -5.074 -9.744 1.00 0.00 H new ATOM 182 N CYS A 16 -6.868 -3.388 -5.151 1.00 0.00 N ATOM 183 CA CYS A 16 -7.248 -3.458 -3.745 1.00 0.00 C ATOM 184 C CYS A 16 -7.555 -2.069 -3.194 1.00 0.00 C ATOM 185 O CYS A 16 -8.553 -1.870 -2.503 1.00 0.00 O ATOM 186 CB CYS A 16 -6.133 -4.109 -2.926 1.00 0.00 C ATOM 187 SG CYS A 16 -4.560 -3.189 -2.948 1.00 0.00 S ATOM 0 H CYS A 16 -5.913 -3.069 -5.314 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.149 -4.067 -3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.467 -4.211 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.958 -5.116 -3.306 1.00 0.00 H new ATOM 192 N GLY A 17 -6.689 -1.110 -3.507 1.00 0.00 N ATOM 193 CA GLY A 17 -6.884 0.249 -3.035 1.00 0.00 C ATOM 194 C GLY A 17 -5.826 0.673 -2.036 1.00 0.00 C ATOM 195 O GLY A 17 -6.145 1.109 -0.930 1.00 0.00 O ATOM 0 H GLY A 17 -5.856 -1.250 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.871 0.931 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.868 0.333 -2.575 1.00 0.00 H new ATOM 199 N LYS A 18 -4.562 0.545 -2.424 1.00 0.00 N ATOM 200 CA LYS A 18 -3.452 0.918 -1.555 1.00 0.00 C ATOM 201 C LYS A 18 -2.664 2.081 -2.148 1.00 0.00 C ATOM 202 O LYS A 18 -2.987 2.576 -3.228 1.00 0.00 O ATOM 203 CB LYS A 18 -2.526 -0.280 -1.334 1.00 0.00 C ATOM 204 CG LYS A 18 -3.058 -1.283 -0.325 1.00 0.00 C ATOM 205 CD LYS A 18 -2.009 -2.320 0.037 1.00 0.00 C ATOM 206 CE LYS A 18 -1.169 -1.873 1.223 1.00 0.00 C ATOM 207 NZ LYS A 18 -1.803 -2.235 2.521 1.00 0.00 N ATOM 0 H LYS A 18 -4.280 0.185 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.864 1.233 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.366 -0.785 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.554 0.080 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.379 -0.759 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.937 -1.781 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.497 -3.266 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.362 -2.499 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.182 -2.330 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.024 -0.794 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.199 -1.913 3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.735 -1.778 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.919 -3.267 2.575 1.00 0.00 H new ATOM 221 N ALA A 19 -1.628 2.512 -1.436 1.00 0.00 N ATOM 222 CA ALA A 19 -0.791 3.614 -1.894 1.00 0.00 C ATOM 223 C ALA A 19 0.689 3.286 -1.730 1.00 0.00 C ATOM 224 O ALA A 19 1.051 2.341 -1.028 1.00 0.00 O ATOM 225 CB ALA A 19 -1.138 4.889 -1.139 1.00 0.00 C ATOM 0 H ALA A 19 -1.348 2.115 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.986 3.768 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.505 5.704 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.184 5.141 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.973 4.737 -0.072 1.00 0.00 H new ATOM 231 N PHE A 20 1.540 4.071 -2.382 1.00 0.00 N ATOM 232 CA PHE A 20 2.982 3.862 -2.309 1.00 0.00 C ATOM 233 C PHE A 20 3.735 5.147 -2.637 1.00 0.00 C ATOM 234 O PHE A 20 3.790 5.570 -3.792 1.00 0.00 O ATOM 235 CB PHE A 20 3.406 2.749 -3.270 1.00 0.00 C ATOM 236 CG PHE A 20 2.505 1.548 -3.232 1.00 0.00 C ATOM 237 CD1 PHE A 20 1.309 1.541 -3.931 1.00 0.00 C ATOM 238 CD2 PHE A 20 2.854 0.426 -2.497 1.00 0.00 C ATOM 239 CE1 PHE A 20 0.477 0.437 -3.898 1.00 0.00 C ATOM 240 CE2 PHE A 20 2.027 -0.680 -2.461 1.00 0.00 C ATOM 241 CZ PHE A 20 0.836 -0.674 -3.162 1.00 0.00 C ATOM 0 H PHE A 20 1.257 4.857 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 20 3.230 3.567 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.427 3.145 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.422 2.438 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.023 2.408 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.783 0.416 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.453 0.444 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.311 -1.549 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.187 -1.537 -3.134 1.00 0.00 H new ATOM 251 N ARG A 21 4.313 5.765 -1.613 1.00 0.00 N ATOM 252 CA ARG A 21 5.062 7.004 -1.791 1.00 0.00 C ATOM 253 C ARG A 21 5.861 6.974 -3.091 1.00 0.00 C ATOM 254 O ARG A 21 5.967 7.982 -3.789 1.00 0.00 O ATOM 255 CB ARG A 21 6.002 7.231 -0.606 1.00 0.00 C ATOM 256 CG ARG A 21 7.119 6.205 -0.510 1.00 0.00 C ATOM 257 CD ARG A 21 7.999 6.452 0.705 1.00 0.00 C ATOM 258 NE ARG A 21 9.203 5.625 0.686 1.00 0.00 N ATOM 259 CZ ARG A 21 10.107 5.620 1.660 1.00 0.00 C ATOM 260 NH1 ARG A 21 9.944 6.394 2.724 1.00 0.00 N ATOM 261 NH2 ARG A 21 11.177 4.840 1.570 1.00 0.00 N ATOM 0 H ARG A 21 4.277 5.428 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 21 4.349 7.827 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.440 8.226 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.422 7.211 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.691 5.204 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.727 6.241 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.282 7.504 0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.431 6.245 1.612 1.00 0.00 H new ATOM 0 HE ARG A 21 9.358 5.018 -0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.123 6.995 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.639 6.388 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.306 4.244 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.870 4.837 2.318 1.00 0.00 H new ATOM 275 N SER A 22 6.421 5.811 -3.408 1.00 0.00 N ATOM 276 CA SER A 22 7.214 5.650 -4.621 1.00 0.00 C ATOM 277 C SER A 22 6.578 4.624 -5.554 1.00 0.00 C ATOM 278 O SER A 22 5.828 3.751 -5.118 1.00 0.00 O ATOM 279 CB SER A 22 8.640 5.222 -4.270 1.00 0.00 C ATOM 280 OG SER A 22 8.714 3.824 -4.055 1.00 0.00 O ATOM 0 H SER A 22 6.340 4.966 -2.842 1.00 0.00 H new ATOM 0 HA SER A 22 7.247 6.611 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.317 5.506 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.971 5.749 -3.375 1.00 0.00 H new ATOM 0 HG SER A 22 9.636 3.575 -3.833 1.00 0.00 H new ATOM 286 N LYS A 23 6.883 4.737 -6.843 1.00 0.00 N ATOM 287 CA LYS A 23 6.344 3.820 -7.840 1.00 0.00 C ATOM 288 C LYS A 23 6.848 2.400 -7.602 1.00 0.00 C ATOM 289 O LYS A 23 6.058 1.466 -7.464 1.00 0.00 O ATOM 290 CB LYS A 23 6.729 4.280 -9.247 1.00 0.00 C ATOM 291 CG LYS A 23 6.415 3.261 -10.329 1.00 0.00 C ATOM 292 CD LYS A 23 6.970 3.688 -11.677 1.00 0.00 C ATOM 293 CE LYS A 23 5.979 4.557 -12.437 1.00 0.00 C ATOM 294 NZ LYS A 23 6.141 6.000 -12.110 1.00 0.00 N ATOM 0 H LYS A 23 7.501 5.455 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 23 5.258 3.821 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.205 5.209 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.796 4.502 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.835 2.294 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.335 3.130 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.900 4.237 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.210 2.805 -12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.115 4.410 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.963 4.243 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.204 6.442 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.660 6.097 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.672 6.471 -12.870 1.00 0.00 H new ATOM 308 N SER A 24 8.167 2.245 -7.555 1.00 0.00 N ATOM 309 CA SER A 24 8.776 0.938 -7.336 1.00 0.00 C ATOM 310 C SER A 24 7.954 0.114 -6.350 1.00 0.00 C ATOM 311 O SER A 24 7.540 -1.005 -6.653 1.00 0.00 O ATOM 312 CB SER A 24 10.206 1.099 -6.817 1.00 0.00 C ATOM 313 OG SER A 24 10.996 1.852 -7.722 1.00 0.00 O ATOM 0 H SER A 24 8.835 3.008 -7.666 1.00 0.00 H new ATOM 0 HA SER A 24 8.801 0.411 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.190 1.593 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.655 0.117 -6.668 1.00 0.00 H new ATOM 0 HG SER A 24 11.905 1.942 -7.366 1.00 0.00 H new ATOM 319 N TYR A 25 7.723 0.676 -5.168 1.00 0.00 N ATOM 320 CA TYR A 25 6.953 -0.007 -4.135 1.00 0.00 C ATOM 321 C TYR A 25 5.672 -0.600 -4.713 1.00 0.00 C ATOM 322 O TYR A 25 5.271 -1.709 -4.357 1.00 0.00 O ATOM 323 CB TYR A 25 6.614 0.961 -3.000 1.00 0.00 C ATOM 324 CG TYR A 25 7.653 0.993 -1.902 1.00 0.00 C ATOM 325 CD1 TYR A 25 8.024 -0.168 -1.235 1.00 0.00 C ATOM 326 CD2 TYR A 25 8.262 2.185 -1.530 1.00 0.00 C ATOM 327 CE1 TYR A 25 8.972 -0.143 -0.231 1.00 0.00 C ATOM 328 CE2 TYR A 25 9.212 2.219 -0.528 1.00 0.00 C ATOM 329 CZ TYR A 25 9.564 1.053 0.119 1.00 0.00 C ATOM 330 OH TYR A 25 10.509 1.083 1.119 1.00 0.00 O ATOM 0 H TYR A 25 8.058 1.602 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 25 7.562 -0.820 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.501 1.964 -3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.652 0.682 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.563 -1.106 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.988 3.101 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.248 -1.055 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.677 3.154 -0.253 1.00 0.00 H new ATOM 0 HH TYR A 25 10.827 2.002 1.241 1.00 0.00 H new ATOM 340 N LEU A 26 5.033 0.147 -5.608 1.00 0.00 N ATOM 341 CA LEU A 26 3.797 -0.304 -6.237 1.00 0.00 C ATOM 342 C LEU A 26 4.025 -1.587 -7.030 1.00 0.00 C ATOM 343 O LEU A 26 3.273 -2.553 -6.895 1.00 0.00 O ATOM 344 CB LEU A 26 3.243 0.786 -7.157 1.00 0.00 C ATOM 345 CG LEU A 26 1.906 0.480 -7.831 1.00 0.00 C ATOM 346 CD1 LEU A 26 0.824 0.246 -6.788 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.509 1.611 -8.769 1.00 0.00 C ATOM 0 H LEU A 26 5.351 1.067 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 26 3.072 -0.510 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.133 1.702 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.981 0.987 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 26 2.018 -0.430 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.121 0.030 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.103 -0.598 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.713 1.138 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.555 1.375 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.415 2.538 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.273 1.731 -9.537 1.00 0.00 H new ATOM 359 N ILE A 27 5.068 -1.590 -7.853 1.00 0.00 N ATOM 360 CA ILE A 27 5.397 -2.755 -8.664 1.00 0.00 C ATOM 361 C ILE A 27 5.508 -4.010 -7.804 1.00 0.00 C ATOM 362 O ILE A 27 4.747 -4.962 -7.976 1.00 0.00 O ATOM 363 CB ILE A 27 6.717 -2.553 -9.430 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.540 -1.500 -10.525 1.00 0.00 C ATOM 365 CG2 ILE A 27 7.190 -3.871 -10.027 1.00 0.00 C ATOM 366 CD1 ILE A 27 6.802 -0.087 -10.052 1.00 0.00 C ATOM 0 H ILE A 27 5.700 -0.799 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 27 4.586 -2.879 -9.381 1.00 0.00 H new ATOM 0 HB ILE A 27 7.475 -2.200 -8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.214 -1.729 -11.351 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.524 -1.561 -10.916 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.124 -3.712 -10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.350 -4.595 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.435 -4.251 -10.715 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.658 0.607 -10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.111 0.161 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.826 -0.009 -9.688 1.00 0.00 H new ATOM 378 N ILE A 28 6.460 -4.002 -6.877 1.00 0.00 N ATOM 379 CA ILE A 28 6.669 -5.138 -5.987 1.00 0.00 C ATOM 380 C ILE A 28 5.367 -5.551 -5.309 1.00 0.00 C ATOM 381 O ILE A 28 5.260 -6.651 -4.766 1.00 0.00 O ATOM 382 CB ILE A 28 7.720 -4.822 -4.907 1.00 0.00 C ATOM 383 CG1 ILE A 28 9.034 -4.383 -5.556 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.943 -6.033 -4.014 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.134 -2.889 -5.768 1.00 0.00 C ATOM 0 H ILE A 28 7.099 -3.222 -6.723 1.00 0.00 H new ATOM 0 HA ILE A 28 7.031 -5.960 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 28 7.350 -4.003 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.865 -4.709 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.141 -4.886 -6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.689 -5.794 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.006 -6.304 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.295 -6.870 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.091 -2.651 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.324 -2.559 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.059 -2.379 -4.807 1.00 0.00 H new ATOM 397 N HIS A 29 4.379 -4.663 -5.345 1.00 0.00 N ATOM 398 CA HIS A 29 3.083 -4.936 -4.735 1.00 0.00 C ATOM 399 C HIS A 29 2.084 -5.426 -5.780 1.00 0.00 C ATOM 400 O HIS A 29 1.097 -6.082 -5.448 1.00 0.00 O ATOM 401 CB HIS A 29 2.545 -3.682 -4.047 1.00 0.00 C ATOM 402 CG HIS A 29 1.052 -3.661 -3.921 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.384 -4.134 -2.811 1.00 0.00 N ATOM 404 CD2 HIS A 29 0.098 -3.218 -4.773 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.917 -3.985 -2.987 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.117 -3.431 -4.169 1.00 0.00 N ATOM 0 H HIS A 29 4.451 -3.748 -5.790 1.00 0.00 H new ATOM 0 HA HIS A 29 3.217 -5.720 -3.990 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.986 -3.605 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.866 -2.804 -4.607 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.825 -4.536 -1.984 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.262 -2.779 -5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.686 -4.268 -2.284 1.00 0.00 H new ATOM 414 N MET A 30 2.347 -5.101 -7.041 1.00 0.00 N ATOM 415 CA MET A 30 1.471 -5.508 -8.133 1.00 0.00 C ATOM 416 C MET A 30 1.909 -6.850 -8.711 1.00 0.00 C ATOM 417 O MET A 30 1.091 -7.614 -9.223 1.00 0.00 O ATOM 418 CB MET A 30 1.463 -4.445 -9.233 1.00 0.00 C ATOM 419 CG MET A 30 0.810 -3.138 -8.810 1.00 0.00 C ATOM 420 SD MET A 30 0.266 -2.147 -10.215 1.00 0.00 S ATOM 421 CE MET A 30 -0.911 -3.261 -10.979 1.00 0.00 C ATOM 0 H MET A 30 3.159 -4.557 -7.332 1.00 0.00 H new ATOM 0 HA MET A 30 0.462 -5.616 -7.734 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.489 -4.246 -9.542 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.939 -4.839 -10.104 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.045 -3.354 -8.170 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.516 -2.560 -8.214 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.791 -2.700 -11.293 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.453 -3.734 -11.847 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.206 -4.027 -10.262 1.00 0.00 H new ATOM 431 N ARG A 31 3.206 -7.130 -8.626 1.00 0.00 N ATOM 432 CA ARG A 31 3.753 -8.379 -9.141 1.00 0.00 C ATOM 433 C ARG A 31 3.086 -9.580 -8.477 1.00 0.00 C ATOM 434 O ARG A 31 3.026 -10.668 -9.052 1.00 0.00 O ATOM 435 CB ARG A 31 5.265 -8.431 -8.913 1.00 0.00 C ATOM 436 CG ARG A 31 5.675 -8.137 -7.480 1.00 0.00 C ATOM 437 CD ARG A 31 7.167 -8.347 -7.273 1.00 0.00 C ATOM 438 NE ARG A 31 7.965 -7.397 -8.044 1.00 0.00 N ATOM 439 CZ ARG A 31 9.279 -7.503 -8.205 1.00 0.00 C ATOM 440 NH1 ARG A 31 9.939 -8.512 -7.653 1.00 0.00 N ATOM 441 NH2 ARG A 31 9.936 -6.600 -8.921 1.00 0.00 N ATOM 0 H ARG A 31 3.897 -6.509 -8.205 1.00 0.00 H new ATOM 0 HA ARG A 31 3.552 -8.420 -10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.632 -9.419 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.749 -7.713 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.413 -7.109 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.118 -8.783 -6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.404 -8.244 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.434 -9.363 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 31 7.487 -6.610 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.437 -9.209 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.948 -8.591 -7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.432 -5.823 -9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.945 -6.683 -9.044 1.00 0.00 H new ATOM 455 N THR A 32 2.585 -9.376 -7.263 1.00 0.00 N ATOM 456 CA THR A 32 1.924 -10.441 -6.519 1.00 0.00 C ATOM 457 C THR A 32 0.447 -10.533 -6.885 1.00 0.00 C ATOM 458 O THR A 32 -0.136 -11.617 -6.891 1.00 0.00 O ATOM 459 CB THR A 32 2.053 -10.229 -4.999 1.00 0.00 C ATOM 460 OG1 THR A 32 1.727 -11.439 -4.306 1.00 0.00 O ATOM 461 CG2 THR A 32 1.138 -9.108 -4.530 1.00 0.00 C ATOM 0 H THR A 32 2.624 -8.482 -6.774 1.00 0.00 H new ATOM 0 HA THR A 32 2.421 -11.372 -6.791 1.00 0.00 H new ATOM 0 HB THR A 32 3.084 -9.952 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.813 -11.296 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.246 -8.976 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.408 -8.182 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.104 -9.361 -4.762 1.00 0.00 H new ATOM 469 N HIS A 33 -0.154 -9.387 -7.192 1.00 0.00 N ATOM 470 CA HIS A 33 -1.564 -9.338 -7.561 1.00 0.00 C ATOM 471 C HIS A 33 -1.844 -10.243 -8.756 1.00 0.00 C ATOM 472 O HIS A 33 -2.688 -11.138 -8.687 1.00 0.00 O ATOM 473 CB HIS A 33 -1.979 -7.903 -7.885 1.00 0.00 C ATOM 474 CG HIS A 33 -2.462 -7.135 -6.693 1.00 0.00 C ATOM 475 ND1 HIS A 33 -3.218 -7.702 -5.689 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.291 -5.838 -6.346 1.00 0.00 C ATOM 477 CE1 HIS A 33 -3.493 -6.786 -4.777 1.00 0.00 C ATOM 478 NE2 HIS A 33 -2.942 -5.646 -5.152 1.00 0.00 N ATOM 0 H HIS A 33 0.314 -8.481 -7.192 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.149 -9.694 -6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.131 -7.379 -8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.767 -7.923 -8.638 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.518 -8.676 -5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.744 -5.093 -6.904 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.070 -6.943 -3.878 1.00 0.00 H new ATOM 486 N THR A 34 -1.132 -10.005 -9.853 1.00 0.00 N ATOM 487 CA THR A 34 -1.306 -10.797 -11.064 1.00 0.00 C ATOM 488 C THR A 34 -1.175 -12.287 -10.770 1.00 0.00 C ATOM 489 O THR A 34 -1.939 -13.101 -11.288 1.00 0.00 O ATOM 490 CB THR A 34 -0.278 -10.406 -12.143 1.00 0.00 C ATOM 491 OG1 THR A 34 1.051 -10.630 -11.658 1.00 0.00 O ATOM 492 CG2 THR A 34 -0.439 -8.946 -12.541 1.00 0.00 C ATOM 0 H THR A 34 -0.429 -9.270 -9.928 1.00 0.00 H new ATOM 0 HA THR A 34 -2.309 -10.590 -11.436 1.00 0.00 H new ATOM 0 HB THR A 34 -0.453 -11.027 -13.022 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.698 -10.380 -12.350 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.298 -8.693 -13.304 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.442 -8.785 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.288 -8.312 -11.667 1.00 0.00 H new ATOM 500 N GLY A 35 -0.202 -12.638 -9.935 1.00 0.00 N ATOM 501 CA GLY A 35 0.010 -14.030 -9.586 1.00 0.00 C ATOM 502 C GLY A 35 1.189 -14.639 -10.320 1.00 0.00 C ATOM 503 O GLY A 35 1.611 -14.130 -11.358 1.00 0.00 O ATOM 0 H GLY A 35 0.443 -11.983 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.174 -14.111 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.890 -14.600 -9.815 1.00 0.00 H new ATOM 507 N GLU A 36 1.722 -15.729 -9.778 1.00 0.00 N ATOM 508 CA GLU A 36 2.861 -16.406 -10.388 1.00 0.00 C ATOM 509 C GLU A 36 2.499 -17.835 -10.780 1.00 0.00 C ATOM 510 O GLU A 36 2.787 -18.784 -10.051 1.00 0.00 O ATOM 511 CB GLU A 36 4.051 -16.415 -9.426 1.00 0.00 C ATOM 512 CG GLU A 36 4.652 -15.040 -9.187 1.00 0.00 C ATOM 513 CD GLU A 36 5.506 -14.567 -10.347 1.00 0.00 C ATOM 514 OE1 GLU A 36 5.222 -14.968 -11.496 1.00 0.00 O ATOM 515 OE2 GLU A 36 6.458 -13.796 -10.107 1.00 0.00 O ATOM 0 H GLU A 36 1.384 -16.162 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 36 3.136 -15.859 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.732 -16.834 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.822 -17.075 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.850 -14.322 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.258 -15.065 -8.281 1.00 0.00 H new ATOM 522 N LYS A 37 1.864 -17.981 -11.939 1.00 0.00 N ATOM 523 CA LYS A 37 1.462 -19.293 -12.431 1.00 0.00 C ATOM 524 C LYS A 37 2.674 -20.204 -12.603 1.00 0.00 C ATOM 525 O LYS A 37 3.782 -19.755 -12.893 1.00 0.00 O ATOM 526 CB LYS A 37 0.721 -19.156 -13.763 1.00 0.00 C ATOM 527 CG LYS A 37 -0.741 -18.774 -13.608 1.00 0.00 C ATOM 528 CD LYS A 37 -1.601 -19.981 -13.273 1.00 0.00 C ATOM 529 CE LYS A 37 -3.069 -19.719 -13.571 1.00 0.00 C ATOM 530 NZ LYS A 37 -3.825 -20.984 -13.787 1.00 0.00 N ATOM 0 H LYS A 37 1.617 -17.206 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 37 0.794 -19.741 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.222 -18.404 -14.372 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.786 -20.100 -14.304 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.841 -18.026 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.098 -18.317 -14.531 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.260 -20.843 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.482 -20.233 -12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.515 -19.166 -12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.153 -19.090 -14.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.821 -20.763 -13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.416 -21.500 -14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.766 -21.574 -12.932 1.00 0.00 H new ATOM 544 N PRO A 38 2.459 -21.516 -12.423 1.00 0.00 N ATOM 545 CA PRO A 38 3.521 -22.518 -12.555 1.00 0.00 C ATOM 546 C PRO A 38 3.977 -22.691 -14.000 1.00 0.00 C ATOM 547 O PRO A 38 4.992 -23.334 -14.267 1.00 0.00 O ATOM 548 CB PRO A 38 2.864 -23.802 -12.044 1.00 0.00 C ATOM 549 CG PRO A 38 1.405 -23.594 -12.265 1.00 0.00 C ATOM 550 CD PRO A 38 1.163 -22.122 -12.076 1.00 0.00 C ATOM 0 HA PRO A 38 4.419 -22.235 -12.005 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.226 -24.675 -12.587 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.085 -23.968 -10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.113 -23.912 -13.266 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.816 -24.180 -11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.364 -21.760 -12.723 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.873 -21.891 -11.051 1.00 0.00 H new ATOM 558 N SER A 39 3.221 -22.114 -14.928 1.00 0.00 N ATOM 559 CA SER A 39 3.546 -22.208 -16.346 1.00 0.00 C ATOM 560 C SER A 39 4.954 -21.685 -16.617 1.00 0.00 C ATOM 561 O SER A 39 5.156 -20.489 -16.818 1.00 0.00 O ATOM 562 CB SER A 39 2.530 -21.422 -17.177 1.00 0.00 C ATOM 563 OG SER A 39 1.308 -22.131 -17.292 1.00 0.00 O ATOM 0 H SER A 39 2.379 -21.576 -14.723 1.00 0.00 H new ATOM 0 HA SER A 39 3.506 -23.259 -16.633 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.349 -20.452 -16.714 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.938 -21.230 -18.170 1.00 0.00 H new ATOM 0 HG SER A 39 0.675 -21.607 -17.826 1.00 0.00 H new ATOM 569 N GLY A 40 5.925 -22.593 -16.620 1.00 0.00 N ATOM 570 CA GLY A 40 7.302 -22.206 -16.866 1.00 0.00 C ATOM 571 C GLY A 40 7.873 -21.354 -15.750 1.00 0.00 C ATOM 572 O GLY A 40 7.168 -20.953 -14.824 1.00 0.00 O ATOM 0 H GLY A 40 5.783 -23.590 -16.456 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.912 -23.101 -16.984 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.359 -21.655 -17.805 1.00 0.00 H new ATOM 576 N PRO A 41 9.181 -21.067 -15.830 1.00 0.00 N ATOM 577 CA PRO A 41 9.876 -20.256 -14.826 1.00 0.00 C ATOM 578 C PRO A 41 9.452 -18.792 -14.870 1.00 0.00 C ATOM 579 O PRO A 41 8.566 -18.415 -15.636 1.00 0.00 O ATOM 580 CB PRO A 41 11.350 -20.398 -15.214 1.00 0.00 C ATOM 581 CG PRO A 41 11.330 -20.708 -16.671 1.00 0.00 C ATOM 582 CD PRO A 41 10.082 -21.513 -16.906 1.00 0.00 C ATOM 0 HA PRO A 41 9.655 -20.586 -13.811 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.903 -19.480 -15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.834 -21.193 -14.647 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.322 -19.794 -17.264 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.217 -21.270 -16.963 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.658 -21.319 -17.891 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.278 -22.584 -16.848 1.00 0.00 H new ATOM 590 N SER A 42 10.090 -17.971 -14.042 1.00 0.00 N ATOM 591 CA SER A 42 9.777 -16.548 -13.984 1.00 0.00 C ATOM 592 C SER A 42 10.568 -15.774 -15.035 1.00 0.00 C ATOM 593 O SER A 42 9.992 -15.129 -15.911 1.00 0.00 O ATOM 594 CB SER A 42 10.079 -15.993 -12.591 1.00 0.00 C ATOM 595 OG SER A 42 9.103 -16.411 -11.653 1.00 0.00 O ATOM 0 H SER A 42 10.827 -18.267 -13.402 1.00 0.00 H new ATOM 0 HA SER A 42 8.714 -16.427 -14.192 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.065 -16.328 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.109 -14.904 -12.629 1.00 0.00 H new ATOM 0 HG SER A 42 9.320 -16.045 -10.770 1.00 0.00 H new ATOM 601 N SER A 43 11.892 -15.843 -14.939 1.00 0.00 N ATOM 602 CA SER A 43 12.764 -15.146 -15.878 1.00 0.00 C ATOM 603 C SER A 43 13.432 -16.132 -16.832 1.00 0.00 C ATOM 604 O SER A 43 13.261 -16.048 -18.048 1.00 0.00 O ATOM 605 CB SER A 43 13.828 -14.349 -15.122 1.00 0.00 C ATOM 606 OG SER A 43 13.358 -13.053 -14.795 1.00 0.00 O ATOM 0 H SER A 43 12.384 -16.374 -14.221 1.00 0.00 H new ATOM 0 HA SER A 43 12.153 -14.458 -16.463 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.105 -14.879 -14.211 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.729 -14.270 -15.731 1.00 0.00 H new ATOM 0 HG SER A 43 14.056 -12.564 -14.311 1.00 0.00 H new ATOM 612 N GLY A 44 14.194 -17.065 -16.271 1.00 0.00 N ATOM 613 CA GLY A 44 14.877 -18.053 -17.085 1.00 0.00 C ATOM 614 C GLY A 44 16.100 -17.487 -17.780 1.00 0.00 C ATOM 615 O GLY A 44 16.068 -16.332 -18.200 1.00 0.00 O ATOM 0 H GLY A 44 14.351 -17.154 -15.267 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.176 -18.893 -16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.186 -18.444 -17.832 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.131 -3.709 -4.698 1.00 0.00 ZN