USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 267 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 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 19:sc= 1.25 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.35 K(o=-1.3,f=-1.9!) 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 21 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.4!) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.64) USER MOD Single : A 25 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.1) USER MOD Single : A 32 THR OG1 : rot -28:sc= 0.216 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.492 24.711 8.812 1.00 0.00 N ATOM 2 CA GLY A 1 -16.300 23.885 8.765 1.00 0.00 C ATOM 3 C GLY A 1 -16.148 23.016 9.998 1.00 0.00 C ATOM 4 O GLY A 1 -15.779 23.502 11.067 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.550 25.286 7.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.333 24.103 8.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.448 25.337 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.336 23.251 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.423 24.524 8.664 1.00 0.00 H new ATOM 8 N SER A 2 -16.435 21.727 9.850 1.00 0.00 N ATOM 9 CA SER A 2 -16.333 20.788 10.961 1.00 0.00 C ATOM 10 C SER A 2 -15.536 19.552 10.558 1.00 0.00 C ATOM 11 O SER A 2 -15.964 18.774 9.705 1.00 0.00 O ATOM 12 CB SER A 2 -17.727 20.377 11.438 1.00 0.00 C ATOM 13 OG SER A 2 -18.350 21.425 12.160 1.00 0.00 O ATOM 0 H SER A 2 -16.740 21.309 8.971 1.00 0.00 H new ATOM 0 HA SER A 2 -15.809 21.285 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.343 20.106 10.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.652 19.491 12.069 1.00 0.00 H new ATOM 0 HG SER A 2 -19.240 21.137 12.452 1.00 0.00 H new ATOM 19 N SER A 3 -14.372 19.378 11.177 1.00 0.00 N ATOM 20 CA SER A 3 -13.512 18.239 10.880 1.00 0.00 C ATOM 21 C SER A 3 -12.387 18.126 11.905 1.00 0.00 C ATOM 22 O SER A 3 -12.243 18.978 12.781 1.00 0.00 O ATOM 23 CB SER A 3 -12.923 18.369 9.474 1.00 0.00 C ATOM 24 OG SER A 3 -13.825 17.880 8.496 1.00 0.00 O ATOM 0 H SER A 3 -14.004 20.011 11.887 1.00 0.00 H new ATOM 0 HA SER A 3 -14.119 17.335 10.930 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.691 19.414 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.985 17.817 9.417 1.00 0.00 H new ATOM 0 HG SER A 3 -14.729 17.846 8.873 1.00 0.00 H new ATOM 30 N GLY A 4 -11.592 17.066 11.789 1.00 0.00 N ATOM 31 CA GLY A 4 -10.491 16.860 12.711 1.00 0.00 C ATOM 32 C GLY A 4 -9.549 15.764 12.254 1.00 0.00 C ATOM 33 O GLY A 4 -9.254 14.835 13.006 1.00 0.00 O ATOM 0 H GLY A 4 -11.691 16.347 11.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.934 17.791 12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.887 16.607 13.695 1.00 0.00 H new ATOM 37 N SER A 5 -9.077 15.870 11.016 1.00 0.00 N ATOM 38 CA SER A 5 -8.168 14.876 10.457 1.00 0.00 C ATOM 39 C SER A 5 -6.721 15.353 10.547 1.00 0.00 C ATOM 40 O SER A 5 -5.944 15.194 9.606 1.00 0.00 O ATOM 41 CB SER A 5 -8.530 14.585 8.999 1.00 0.00 C ATOM 42 OG SER A 5 -9.842 14.058 8.895 1.00 0.00 O ATOM 0 H SER A 5 -9.309 16.634 10.381 1.00 0.00 H new ATOM 0 HA SER A 5 -8.269 13.960 11.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.455 15.501 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.816 13.877 8.578 1.00 0.00 H new ATOM 0 HG SER A 5 -10.050 13.882 7.954 1.00 0.00 H new ATOM 48 N SER A 6 -6.368 15.937 11.688 1.00 0.00 N ATOM 49 CA SER A 6 -5.016 16.441 11.901 1.00 0.00 C ATOM 50 C SER A 6 -4.000 15.303 11.861 1.00 0.00 C ATOM 51 O SER A 6 -4.336 14.146 12.110 1.00 0.00 O ATOM 52 CB SER A 6 -4.927 17.171 13.243 1.00 0.00 C ATOM 53 OG SER A 6 -5.371 16.344 14.304 1.00 0.00 O ATOM 0 H SER A 6 -6.999 16.073 12.478 1.00 0.00 H new ATOM 0 HA SER A 6 -4.785 17.141 11.098 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.898 17.480 13.425 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.530 18.078 13.208 1.00 0.00 H new ATOM 0 HG SER A 6 -5.303 16.833 15.151 1.00 0.00 H new ATOM 59 N GLY A 7 -2.753 15.642 11.545 1.00 0.00 N ATOM 60 CA GLY A 7 -1.707 14.639 11.477 1.00 0.00 C ATOM 61 C GLY A 7 -1.593 14.012 10.102 1.00 0.00 C ATOM 62 O GLY A 7 -1.928 12.843 9.917 1.00 0.00 O ATOM 0 H GLY A 7 -2.449 16.593 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.754 15.094 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.907 13.860 12.213 1.00 0.00 H new ATOM 66 N GLU A 8 -1.120 14.792 9.134 1.00 0.00 N ATOM 67 CA GLU A 8 -0.967 14.305 7.768 1.00 0.00 C ATOM 68 C GLU A 8 -0.214 12.978 7.745 1.00 0.00 C ATOM 69 O GLU A 8 0.815 12.824 8.402 1.00 0.00 O ATOM 70 CB GLU A 8 -0.227 15.338 6.916 1.00 0.00 C ATOM 71 CG GLU A 8 -0.998 16.633 6.723 1.00 0.00 C ATOM 72 CD GLU A 8 -0.255 17.631 5.857 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.264 17.224 4.796 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.193 18.818 6.238 1.00 0.00 O ATOM 0 H GLU A 8 -0.837 15.762 9.271 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.962 14.146 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.732 15.562 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.012 14.904 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.964 16.412 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.198 17.081 7.696 1.00 0.00 H new ATOM 81 N ASN A 9 -0.736 12.021 6.984 1.00 0.00 N ATOM 82 CA ASN A 9 -0.115 10.706 6.876 1.00 0.00 C ATOM 83 C ASN A 9 0.183 10.364 5.419 1.00 0.00 C ATOM 84 O ASN A 9 -0.559 9.633 4.763 1.00 0.00 O ATOM 85 CB ASN A 9 -1.024 9.638 7.487 1.00 0.00 C ATOM 86 CG ASN A 9 -2.377 9.572 6.805 1.00 0.00 C ATOM 87 OD1 ASN A 9 -2.582 8.783 5.882 1.00 0.00 O ATOM 88 ND2 ASN A 9 -3.309 10.402 7.259 1.00 0.00 N ATOM 0 H ASN A 9 -1.587 12.132 6.433 1.00 0.00 H new ATOM 0 HA ASN A 9 0.826 10.729 7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.536 8.666 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.164 9.847 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.239 10.402 6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.095 11.039 8.026 1.00 0.00 H new ATOM 95 N PRO A 10 1.297 10.903 4.900 1.00 0.00 N ATOM 96 CA PRO A 10 1.720 10.668 3.517 1.00 0.00 C ATOM 97 C PRO A 10 2.190 9.235 3.290 1.00 0.00 C ATOM 98 O PRO A 10 2.629 8.882 2.195 1.00 0.00 O ATOM 99 CB PRO A 10 2.881 11.647 3.329 1.00 0.00 C ATOM 100 CG PRO A 10 3.413 11.871 4.703 1.00 0.00 C ATOM 101 CD PRO A 10 2.229 11.783 5.625 1.00 0.00 C ATOM 0 HA PRO A 10 0.903 10.814 2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.645 11.233 2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.543 12.580 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.163 11.122 4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.896 12.845 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.504 11.366 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.792 12.764 5.813 1.00 0.00 H new ATOM 109 N TYR A 11 2.095 8.414 4.330 1.00 0.00 N ATOM 110 CA TYR A 11 2.512 7.020 4.244 1.00 0.00 C ATOM 111 C TYR A 11 1.630 6.132 5.116 1.00 0.00 C ATOM 112 O TYR A 11 1.444 6.398 6.303 1.00 0.00 O ATOM 113 CB TYR A 11 3.975 6.877 4.667 1.00 0.00 C ATOM 114 CG TYR A 11 4.888 7.913 4.051 1.00 0.00 C ATOM 115 CD1 TYR A 11 5.272 7.824 2.719 1.00 0.00 C ATOM 116 CD2 TYR A 11 5.366 8.980 4.801 1.00 0.00 C ATOM 117 CE1 TYR A 11 6.107 8.768 2.152 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.200 9.930 4.242 1.00 0.00 C ATOM 119 CZ TYR A 11 6.567 9.819 2.917 1.00 0.00 C ATOM 120 OH TYR A 11 7.398 10.762 2.357 1.00 0.00 O ATOM 0 H TYR A 11 1.733 8.690 5.243 1.00 0.00 H new ATOM 0 HA TYR A 11 2.407 6.699 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.039 6.948 5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.329 5.883 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.912 7.003 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.081 9.069 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.398 8.683 1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.562 10.754 4.839 1.00 0.00 H new ATOM 0 HH TYR A 11 7.630 11.435 3.031 1.00 0.00 H new ATOM 130 N GLU A 12 1.089 5.076 4.517 1.00 0.00 N ATOM 131 CA GLU A 12 0.226 4.148 5.239 1.00 0.00 C ATOM 132 C GLU A 12 0.307 2.748 4.637 1.00 0.00 C ATOM 133 O GLU A 12 0.772 2.571 3.511 1.00 0.00 O ATOM 134 CB GLU A 12 -1.223 4.642 5.216 1.00 0.00 C ATOM 135 CG GLU A 12 -1.966 4.288 3.939 1.00 0.00 C ATOM 136 CD GLU A 12 -1.509 5.111 2.751 1.00 0.00 C ATOM 137 OE1 GLU A 12 -1.615 6.354 2.813 1.00 0.00 O ATOM 138 OE2 GLU A 12 -1.046 4.512 1.758 1.00 0.00 O ATOM 0 H GLU A 12 1.233 4.842 3.535 1.00 0.00 H new ATOM 0 HA GLU A 12 0.570 4.101 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.756 4.217 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.231 5.725 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.821 3.230 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.035 4.439 4.091 1.00 0.00 H new ATOM 145 N CYS A 13 -0.148 1.757 5.396 1.00 0.00 N ATOM 146 CA CYS A 13 -0.126 0.373 4.940 1.00 0.00 C ATOM 147 C CYS A 13 -1.415 0.023 4.200 1.00 0.00 C ATOM 148 O CYS A 13 -2.437 0.690 4.364 1.00 0.00 O ATOM 149 CB CYS A 13 0.066 -0.574 6.126 1.00 0.00 C ATOM 150 SG CYS A 13 0.331 -2.314 5.654 1.00 0.00 S ATOM 0 H CYS A 13 -0.537 1.887 6.330 1.00 0.00 H new ATOM 0 HA CYS A 13 0.711 0.257 4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.919 -0.234 6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.810 -0.513 6.771 1.00 0.00 H new ATOM 155 N SER A 14 -1.358 -1.026 3.387 1.00 0.00 N ATOM 156 CA SER A 14 -2.518 -1.462 2.619 1.00 0.00 C ATOM 157 C SER A 14 -3.092 -2.756 3.190 1.00 0.00 C ATOM 158 O SER A 14 -4.275 -3.049 3.023 1.00 0.00 O ATOM 159 CB SER A 14 -2.139 -1.663 1.151 1.00 0.00 C ATOM 160 OG SER A 14 -3.289 -1.673 0.324 1.00 0.00 O ATOM 0 H SER A 14 -0.521 -1.590 3.243 1.00 0.00 H new ATOM 0 HA SER A 14 -3.280 -0.686 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.466 -0.866 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.597 -2.602 1.037 1.00 0.00 H new ATOM 0 HG SER A 14 -3.020 -1.801 -0.609 1.00 0.00 H new ATOM 166 N GLU A 15 -2.243 -3.526 3.863 1.00 0.00 N ATOM 167 CA GLU A 15 -2.665 -4.789 4.458 1.00 0.00 C ATOM 168 C GLU A 15 -3.574 -4.547 5.659 1.00 0.00 C ATOM 169 O GLU A 15 -4.701 -5.043 5.710 1.00 0.00 O ATOM 170 CB GLU A 15 -1.446 -5.610 4.883 1.00 0.00 C ATOM 171 CG GLU A 15 -0.604 -6.099 3.717 1.00 0.00 C ATOM 172 CD GLU A 15 -1.211 -7.304 3.024 1.00 0.00 C ATOM 173 OE1 GLU A 15 -1.269 -8.382 3.651 1.00 0.00 O ATOM 174 OE2 GLU A 15 -1.627 -7.168 1.855 1.00 0.00 O ATOM 0 H GLU A 15 -1.260 -3.298 4.010 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.225 -5.346 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.823 -5.005 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.782 -6.470 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.485 -5.291 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.393 -6.355 4.076 1.00 0.00 H new ATOM 181 N CYS A 16 -3.077 -3.784 6.626 1.00 0.00 N ATOM 182 CA CYS A 16 -3.842 -3.476 7.829 1.00 0.00 C ATOM 183 C CYS A 16 -4.514 -2.111 7.712 1.00 0.00 C ATOM 184 O CYS A 16 -5.703 -1.967 7.990 1.00 0.00 O ATOM 185 CB CYS A 16 -2.932 -3.506 9.059 1.00 0.00 C ATOM 186 SG CYS A 16 -1.537 -2.337 8.980 1.00 0.00 S ATOM 0 H CYS A 16 -2.147 -3.367 6.600 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.617 -4.234 7.941 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.528 -3.285 9.944 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.540 -4.515 9.183 1.00 0.00 H new ATOM 191 N GLY A 17 -3.742 -1.111 7.298 1.00 0.00 N ATOM 192 CA GLY A 17 -4.279 0.229 7.151 1.00 0.00 C ATOM 193 C GLY A 17 -3.707 1.197 8.168 1.00 0.00 C ATOM 194 O GLY A 17 -4.364 2.166 8.552 1.00 0.00 O ATOM 0 H GLY A 17 -2.754 -1.205 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.066 0.594 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.364 0.196 7.255 1.00 0.00 H new ATOM 198 N LYS A 18 -2.481 0.936 8.607 1.00 0.00 N ATOM 199 CA LYS A 18 -1.820 1.790 9.586 1.00 0.00 C ATOM 200 C LYS A 18 -1.090 2.940 8.900 1.00 0.00 C ATOM 201 O LYS A 18 -0.232 2.721 8.044 1.00 0.00 O ATOM 202 CB LYS A 18 -0.834 0.973 10.424 1.00 0.00 C ATOM 203 CG LYS A 18 -0.271 1.732 11.613 1.00 0.00 C ATOM 204 CD LYS A 18 0.514 0.817 12.538 1.00 0.00 C ATOM 205 CE LYS A 18 0.486 1.319 13.973 1.00 0.00 C ATOM 206 NZ LYS A 18 1.420 0.555 14.846 1.00 0.00 N ATOM 0 H LYS A 18 -1.924 0.139 8.300 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.584 2.208 10.241 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.333 0.073 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.011 0.649 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.376 2.535 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.086 2.199 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.098 -0.189 12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.546 0.750 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.752 2.376 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.527 1.238 14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.372 0.927 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.151 -0.450 14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.391 0.653 14.486 1.00 0.00 H new ATOM 220 N ALA A 19 -1.434 4.166 9.281 1.00 0.00 N ATOM 221 CA ALA A 19 -0.808 5.349 8.705 1.00 0.00 C ATOM 222 C ALA A 19 0.320 5.861 9.593 1.00 0.00 C ATOM 223 O ALA A 19 0.139 6.055 10.795 1.00 0.00 O ATOM 224 CB ALA A 19 -1.846 6.440 8.485 1.00 0.00 C ATOM 0 H ALA A 19 -2.143 4.365 9.986 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.379 5.071 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.365 7.318 8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.616 6.077 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.301 6.707 9.439 1.00 0.00 H new ATOM 230 N PHE A 20 1.487 6.078 8.993 1.00 0.00 N ATOM 231 CA PHE A 20 2.646 6.566 9.731 1.00 0.00 C ATOM 232 C PHE A 20 2.994 7.993 9.316 1.00 0.00 C ATOM 233 O PHE A 20 2.372 8.558 8.417 1.00 0.00 O ATOM 234 CB PHE A 20 3.848 5.648 9.499 1.00 0.00 C ATOM 235 CG PHE A 20 3.582 4.212 9.850 1.00 0.00 C ATOM 236 CD1 PHE A 20 2.736 3.440 9.072 1.00 0.00 C ATOM 237 CD2 PHE A 20 4.179 3.635 10.960 1.00 0.00 C ATOM 238 CE1 PHE A 20 2.490 2.118 9.392 1.00 0.00 C ATOM 239 CE2 PHE A 20 3.937 2.314 11.285 1.00 0.00 C ATOM 240 CZ PHE A 20 3.090 1.554 10.501 1.00 0.00 C ATOM 0 H PHE A 20 1.654 5.924 7.999 1.00 0.00 H new ATOM 0 HA PHE A 20 2.396 6.566 10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.145 5.709 8.452 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.690 6.008 10.090 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.263 3.876 8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.841 4.224 11.578 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.829 1.527 8.775 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.410 1.876 12.151 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.898 0.522 10.755 1.00 0.00 H new ATOM 250 N ASN A 21 3.992 8.569 9.978 1.00 0.00 N ATOM 251 CA ASN A 21 4.422 9.930 9.680 1.00 0.00 C ATOM 252 C ASN A 21 5.562 9.930 8.666 1.00 0.00 C ATOM 253 O ASN A 21 5.550 10.697 7.703 1.00 0.00 O ATOM 254 CB ASN A 21 4.864 10.640 10.961 1.00 0.00 C ATOM 255 CG ASN A 21 3.706 10.908 11.903 1.00 0.00 C ATOM 256 OD1 ASN A 21 2.757 10.127 11.974 1.00 0.00 O ATOM 257 ND2 ASN A 21 3.780 12.016 12.631 1.00 0.00 N ATOM 0 H ASN A 21 4.518 8.114 10.724 1.00 0.00 H new ATOM 0 HA ASN A 21 3.576 10.466 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.610 10.031 11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.345 11.584 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.031 12.249 13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.586 12.634 12.539 1.00 0.00 H new ATOM 264 N ARG A 22 6.545 9.064 8.889 1.00 0.00 N ATOM 265 CA ARG A 22 7.693 8.964 7.995 1.00 0.00 C ATOM 266 C ARG A 22 7.520 7.807 7.016 1.00 0.00 C ATOM 267 O ARG A 22 6.711 6.906 7.238 1.00 0.00 O ATOM 268 CB ARG A 22 8.979 8.776 8.802 1.00 0.00 C ATOM 269 CG ARG A 22 9.240 9.892 9.801 1.00 0.00 C ATOM 270 CD ARG A 22 8.607 9.591 11.150 1.00 0.00 C ATOM 271 NE ARG A 22 8.717 10.720 12.070 1.00 0.00 N ATOM 272 CZ ARG A 22 8.536 10.619 13.382 1.00 0.00 C ATOM 273 NH1 ARG A 22 8.238 9.447 13.925 1.00 0.00 N ATOM 274 NH2 ARG A 22 8.654 11.692 14.154 1.00 0.00 N ATOM 0 H ARG A 22 6.570 8.422 9.681 1.00 0.00 H new ATOM 0 HA ARG A 22 7.761 9.891 7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.928 7.827 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.823 8.710 8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.314 10.028 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.843 10.830 9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.556 9.339 11.009 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.088 8.717 11.589 1.00 0.00 H new ATOM 0 HE ARG A 22 8.945 11.636 11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.147 8.620 13.335 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.100 9.372 14.933 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.884 12.595 13.740 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.515 11.613 15.161 1.00 0.00 H new ATOM 288 N LYS A 23 8.286 7.838 5.931 1.00 0.00 N ATOM 289 CA LYS A 23 8.220 6.793 4.917 1.00 0.00 C ATOM 290 C LYS A 23 8.904 5.519 5.403 1.00 0.00 C ATOM 291 O LYS A 23 8.327 4.433 5.346 1.00 0.00 O ATOM 292 CB LYS A 23 8.873 7.271 3.618 1.00 0.00 C ATOM 293 CG LYS A 23 8.557 6.394 2.419 1.00 0.00 C ATOM 294 CD LYS A 23 8.847 7.111 1.111 1.00 0.00 C ATOM 295 CE LYS A 23 10.284 6.894 0.664 1.00 0.00 C ATOM 296 NZ LYS A 23 11.225 7.820 1.352 1.00 0.00 N ATOM 0 H LYS A 23 8.961 8.577 5.731 1.00 0.00 H new ATOM 0 HA LYS A 23 7.170 6.571 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.544 8.289 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.954 7.307 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.146 5.479 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.508 6.100 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.166 6.752 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.659 8.178 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.576 5.863 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.355 7.039 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.064 7.969 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.754 8.732 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.515 7.407 2.261 1.00 0.00 H new ATOM 310 N ASP A 24 10.135 5.660 5.882 1.00 0.00 N ATOM 311 CA ASP A 24 10.897 4.521 6.381 1.00 0.00 C ATOM 312 C ASP A 24 10.094 3.743 7.419 1.00 0.00 C ATOM 313 O ASP A 24 10.130 2.514 7.452 1.00 0.00 O ATOM 314 CB ASP A 24 12.220 4.991 6.987 1.00 0.00 C ATOM 315 CG ASP A 24 12.962 3.873 7.693 1.00 0.00 C ATOM 316 OD1 ASP A 24 13.322 2.883 7.022 1.00 0.00 O ATOM 317 OD2 ASP A 24 13.184 3.989 8.917 1.00 0.00 O ATOM 0 H ASP A 24 10.627 6.552 5.935 1.00 0.00 H new ATOM 0 HA ASP A 24 11.107 3.859 5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.852 5.402 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.026 5.798 7.694 1.00 0.00 H new ATOM 322 N GLN A 25 9.372 4.470 8.267 1.00 0.00 N ATOM 323 CA GLN A 25 8.563 3.848 9.308 1.00 0.00 C ATOM 324 C GLN A 25 7.565 2.863 8.706 1.00 0.00 C ATOM 325 O GLN A 25 7.381 1.758 9.219 1.00 0.00 O ATOM 326 CB GLN A 25 7.821 4.916 10.113 1.00 0.00 C ATOM 327 CG GLN A 25 8.706 5.655 11.104 1.00 0.00 C ATOM 328 CD GLN A 25 8.760 4.975 12.458 1.00 0.00 C ATOM 329 OE1 GLN A 25 7.980 4.066 12.740 1.00 0.00 O ATOM 330 NE2 GLN A 25 9.684 5.414 13.304 1.00 0.00 N ATOM 0 H GLN A 25 9.331 5.489 8.253 1.00 0.00 H new ATOM 0 HA GLN A 25 9.230 3.300 9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.380 5.637 9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.999 4.446 10.653 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.715 5.730 10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.336 6.673 11.227 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.310 6.170 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.768 4.995 14.230 1.00 0.00 H new ATOM 339 N LEU A 26 6.923 3.271 7.617 1.00 0.00 N ATOM 340 CA LEU A 26 5.943 2.425 6.945 1.00 0.00 C ATOM 341 C LEU A 26 6.620 1.233 6.275 1.00 0.00 C ATOM 342 O LEU A 26 6.202 0.089 6.453 1.00 0.00 O ATOM 343 CB LEU A 26 5.167 3.236 5.906 1.00 0.00 C ATOM 344 CG LEU A 26 4.339 2.428 4.906 1.00 0.00 C ATOM 345 CD1 LEU A 26 3.065 1.915 5.560 1.00 0.00 C ATOM 346 CD2 LEU A 26 4.010 3.270 3.682 1.00 0.00 C ATOM 0 H LEU A 26 7.063 4.182 7.181 1.00 0.00 H new ATOM 0 HA LEU A 26 5.248 2.049 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.500 3.919 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.876 3.849 5.349 1.00 0.00 H new ATOM 0 HG LEU A 26 4.929 1.570 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.488 1.342 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.322 1.276 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.471 2.759 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.420 2.679 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.439 4.147 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.934 3.588 3.200 1.00 0.00 H new ATOM 358 N ILE A 27 7.669 1.510 5.508 1.00 0.00 N ATOM 359 CA ILE A 27 8.406 0.461 4.814 1.00 0.00 C ATOM 360 C ILE A 27 8.808 -0.654 5.774 1.00 0.00 C ATOM 361 O ILE A 27 8.485 -1.821 5.556 1.00 0.00 O ATOM 362 CB ILE A 27 9.669 1.018 4.132 1.00 0.00 C ATOM 363 CG1 ILE A 27 9.290 2.070 3.088 1.00 0.00 C ATOM 364 CG2 ILE A 27 10.465 -0.110 3.491 1.00 0.00 C ATOM 365 CD1 ILE A 27 10.477 2.827 2.534 1.00 0.00 C ATOM 0 H ILE A 27 8.028 2.452 5.351 1.00 0.00 H new ATOM 0 HA ILE A 27 7.740 0.058 4.051 1.00 0.00 H new ATOM 0 HB ILE A 27 10.293 1.493 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.765 1.582 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.594 2.779 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.355 0.299 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.761 -0.827 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.849 -0.611 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.133 3.556 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.990 3.343 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.164 2.128 2.057 1.00 0.00 H new ATOM 377 N SER A 28 9.515 -0.285 6.837 1.00 0.00 N ATOM 378 CA SER A 28 9.964 -1.254 7.830 1.00 0.00 C ATOM 379 C SER A 28 8.778 -1.992 8.444 1.00 0.00 C ATOM 380 O SER A 28 8.871 -3.175 8.772 1.00 0.00 O ATOM 381 CB SER A 28 10.768 -0.555 8.928 1.00 0.00 C ATOM 382 OG SER A 28 11.662 -1.457 9.558 1.00 0.00 O ATOM 0 H SER A 28 9.789 0.678 7.033 1.00 0.00 H new ATOM 0 HA SER A 28 10.603 -1.982 7.329 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.327 0.277 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.088 -0.134 9.669 1.00 0.00 H new ATOM 0 HG SER A 28 12.165 -0.986 10.255 1.00 0.00 H new ATOM 388 N HIS A 29 7.663 -1.284 8.597 1.00 0.00 N ATOM 389 CA HIS A 29 6.458 -1.871 9.171 1.00 0.00 C ATOM 390 C HIS A 29 5.884 -2.943 8.250 1.00 0.00 C ATOM 391 O HIS A 29 5.473 -4.010 8.706 1.00 0.00 O ATOM 392 CB HIS A 29 5.409 -0.787 9.426 1.00 0.00 C ATOM 393 CG HIS A 29 4.003 -1.302 9.420 1.00 0.00 C ATOM 394 ND1 HIS A 29 3.414 -1.897 10.515 1.00 0.00 N ATOM 395 CD2 HIS A 29 3.066 -1.305 8.443 1.00 0.00 C ATOM 396 CE1 HIS A 29 2.177 -2.246 10.212 1.00 0.00 C ATOM 397 NE2 HIS A 29 1.940 -1.898 8.960 1.00 0.00 N ATOM 0 H HIS A 29 7.569 -0.304 8.332 1.00 0.00 H new ATOM 0 HA HIS A 29 6.727 -2.337 10.119 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.611 -0.317 10.388 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.507 -0.012 8.666 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.864 -2.045 11.419 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.182 -0.914 7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.478 -2.733 10.875 1.00 0.00 H new ATOM 405 N GLN A 30 5.858 -2.651 6.953 1.00 0.00 N ATOM 406 CA GLN A 30 5.333 -3.591 5.970 1.00 0.00 C ATOM 407 C GLN A 30 5.968 -4.967 6.138 1.00 0.00 C ATOM 408 O GLN A 30 5.373 -5.984 5.782 1.00 0.00 O ATOM 409 CB GLN A 30 5.583 -3.071 4.553 1.00 0.00 C ATOM 410 CG GLN A 30 4.563 -2.041 4.094 1.00 0.00 C ATOM 411 CD GLN A 30 4.622 -1.787 2.601 1.00 0.00 C ATOM 412 OE1 GLN A 30 4.905 -2.692 1.816 1.00 0.00 O ATOM 413 NE2 GLN A 30 4.353 -0.550 2.200 1.00 0.00 N ATOM 0 H GLN A 30 6.194 -1.772 6.559 1.00 0.00 H new ATOM 0 HA GLN A 30 4.259 -3.685 6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.579 -2.630 4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.575 -3.912 3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.563 -2.382 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.734 -1.105 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.123 0.170 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.376 -0.319 1.207 1.00 0.00 H new ATOM 422 N ARG A 31 7.180 -4.992 6.682 1.00 0.00 N ATOM 423 CA ARG A 31 7.897 -6.243 6.896 1.00 0.00 C ATOM 424 C ARG A 31 7.065 -7.210 7.734 1.00 0.00 C ATOM 425 O ARG A 31 7.168 -8.427 7.584 1.00 0.00 O ATOM 426 CB ARG A 31 9.236 -5.977 7.586 1.00 0.00 C ATOM 427 CG ARG A 31 10.174 -5.096 6.776 1.00 0.00 C ATOM 428 CD ARG A 31 11.452 -4.792 7.542 1.00 0.00 C ATOM 429 NE ARG A 31 12.588 -4.584 6.648 1.00 0.00 N ATOM 430 CZ ARG A 31 13.299 -5.574 6.120 1.00 0.00 C ATOM 431 NH1 ARG A 31 12.992 -6.834 6.393 1.00 0.00 N ATOM 432 NH2 ARG A 31 14.319 -5.304 5.315 1.00 0.00 N ATOM 0 H ARG A 31 7.686 -4.159 6.983 1.00 0.00 H new ATOM 0 HA ARG A 31 8.081 -6.698 5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.051 -5.505 8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.728 -6.929 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.420 -5.592 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.670 -4.163 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.305 -3.903 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.672 -5.615 8.222 1.00 0.00 H new ATOM 0 HE ARG A 31 12.850 -3.626 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.208 -7.046 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.540 -7.592 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.558 -4.336 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.864 -6.065 4.910 1.00 0.00 H new ATOM 446 N THR A 32 6.239 -6.658 8.618 1.00 0.00 N ATOM 447 CA THR A 32 5.390 -7.471 9.481 1.00 0.00 C ATOM 448 C THR A 32 4.324 -8.202 8.673 1.00 0.00 C ATOM 449 O THR A 32 3.663 -9.110 9.177 1.00 0.00 O ATOM 450 CB THR A 32 4.701 -6.613 10.559 1.00 0.00 C ATOM 451 OG1 THR A 32 4.020 -7.457 11.494 1.00 0.00 O ATOM 452 CG2 THR A 32 3.713 -5.643 9.930 1.00 0.00 C ATOM 0 H THR A 32 6.140 -5.652 8.755 1.00 0.00 H new ATOM 0 HA THR A 32 6.039 -8.201 9.966 1.00 0.00 H new ATOM 0 HB THR A 32 5.467 -6.038 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.746 -8.285 11.048 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.239 -5.048 10.711 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.240 -4.983 9.241 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.951 -6.201 9.387 1.00 0.00 H new ATOM 460 N HIS A 33 4.163 -7.802 7.415 1.00 0.00 N ATOM 461 CA HIS A 33 3.178 -8.422 6.536 1.00 0.00 C ATOM 462 C HIS A 33 3.860 -9.280 5.475 1.00 0.00 C ATOM 463 O HIS A 33 3.326 -9.477 4.384 1.00 0.00 O ATOM 464 CB HIS A 33 2.316 -7.351 5.866 1.00 0.00 C ATOM 465 CG HIS A 33 1.565 -6.493 6.837 1.00 0.00 C ATOM 466 ND1 HIS A 33 0.662 -7.001 7.747 1.00 0.00 N ATOM 467 CD2 HIS A 33 1.588 -5.155 7.038 1.00 0.00 C ATOM 468 CE1 HIS A 33 0.160 -6.011 8.464 1.00 0.00 C ATOM 469 NE2 HIS A 33 0.706 -4.880 8.054 1.00 0.00 N ATOM 0 H HIS A 33 4.702 -7.052 6.982 1.00 0.00 H new ATOM 0 HA HIS A 33 2.540 -9.065 7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.953 -6.716 5.250 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.605 -7.835 5.196 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.420 -7.986 7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.188 -4.437 6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.572 -6.110 9.252 1.00 0.00 H new ATOM 477 N ALA A 34 5.044 -9.788 5.803 1.00 0.00 N ATOM 478 CA ALA A 34 5.798 -10.626 4.879 1.00 0.00 C ATOM 479 C ALA A 34 6.154 -11.965 5.517 1.00 0.00 C ATOM 480 O ALA A 34 7.252 -12.140 6.044 1.00 0.00 O ATOM 481 CB ALA A 34 7.057 -9.906 4.421 1.00 0.00 C ATOM 0 H ALA A 34 5.501 -9.634 6.702 1.00 0.00 H new ATOM 0 HA ALA A 34 5.169 -10.823 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.610 -10.544 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.783 -8.979 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.681 -9.679 5.285 1.00 0.00 H new ATOM 487 N GLY A 35 5.217 -12.907 5.467 1.00 0.00 N ATOM 488 CA GLY A 35 5.452 -14.218 6.044 1.00 0.00 C ATOM 489 C GLY A 35 5.517 -14.180 7.558 1.00 0.00 C ATOM 490 O GLY A 35 4.490 -14.073 8.227 1.00 0.00 O ATOM 0 H GLY A 35 4.300 -12.786 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.657 -14.896 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.386 -14.622 5.653 1.00 0.00 H new ATOM 494 N GLU A 36 6.728 -14.271 8.100 1.00 0.00 N ATOM 495 CA GLU A 36 6.921 -14.250 9.545 1.00 0.00 C ATOM 496 C GLU A 36 5.835 -15.056 10.251 1.00 0.00 C ATOM 497 O GLU A 36 5.304 -14.635 11.279 1.00 0.00 O ATOM 498 CB GLU A 36 6.920 -12.809 10.061 1.00 0.00 C ATOM 499 CG GLU A 36 8.278 -12.133 9.982 1.00 0.00 C ATOM 500 CD GLU A 36 9.219 -12.585 11.081 1.00 0.00 C ATOM 501 OE1 GLU A 36 8.727 -13.032 12.138 1.00 0.00 O ATOM 502 OE2 GLU A 36 10.449 -12.491 10.884 1.00 0.00 O ATOM 0 H GLU A 36 7.589 -14.360 7.560 1.00 0.00 H new ATOM 0 HA GLU A 36 7.887 -14.706 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.200 -12.227 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.580 -12.803 11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.729 -12.345 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.146 -11.053 10.043 1.00 0.00 H new ATOM 509 N SER A 37 5.510 -16.217 9.692 1.00 0.00 N ATOM 510 CA SER A 37 4.484 -17.080 10.265 1.00 0.00 C ATOM 511 C SER A 37 5.096 -18.071 11.250 1.00 0.00 C ATOM 512 O SER A 37 4.572 -18.281 12.343 1.00 0.00 O ATOM 513 CB SER A 37 3.746 -17.835 9.157 1.00 0.00 C ATOM 514 OG SER A 37 2.787 -18.727 9.699 1.00 0.00 O ATOM 0 H SER A 37 5.942 -16.582 8.843 1.00 0.00 H new ATOM 0 HA SER A 37 3.774 -16.452 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.252 -17.124 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.462 -18.390 8.552 1.00 0.00 H new ATOM 0 HG SER A 37 2.328 -19.196 8.971 1.00 0.00 H new ATOM 520 N GLY A 38 6.210 -18.678 10.854 1.00 0.00 N ATOM 521 CA GLY A 38 6.877 -19.640 11.712 1.00 0.00 C ATOM 522 C GLY A 38 7.424 -20.825 10.941 1.00 0.00 C ATOM 523 O GLY A 38 8.564 -20.818 10.477 1.00 0.00 O ATOM 0 H GLY A 38 6.663 -18.521 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.693 -19.146 12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.176 -19.995 12.468 1.00 0.00 H new ATOM 527 N PRO A 39 6.599 -21.873 10.796 1.00 0.00 N ATOM 528 CA PRO A 39 6.986 -23.091 10.077 1.00 0.00 C ATOM 529 C PRO A 39 7.116 -22.860 8.575 1.00 0.00 C ATOM 530 O PRO A 39 6.827 -21.772 8.077 1.00 0.00 O ATOM 531 CB PRO A 39 5.836 -24.057 10.372 1.00 0.00 C ATOM 532 CG PRO A 39 4.668 -23.179 10.661 1.00 0.00 C ATOM 533 CD PRO A 39 5.226 -21.950 11.323 1.00 0.00 C ATOM 0 HA PRO A 39 7.962 -23.459 10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.640 -24.710 9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.067 -24.700 11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.137 -22.921 9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.953 -23.682 11.312 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.648 -21.061 11.071 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.217 -22.039 12.409 1.00 0.00 H new ATOM 541 N SER A 40 7.551 -23.892 7.858 1.00 0.00 N ATOM 542 CA SER A 40 7.722 -23.800 6.413 1.00 0.00 C ATOM 543 C SER A 40 6.584 -23.004 5.781 1.00 0.00 C ATOM 544 O SER A 40 5.420 -23.397 5.856 1.00 0.00 O ATOM 545 CB SER A 40 7.785 -25.199 5.796 1.00 0.00 C ATOM 546 OG SER A 40 8.350 -25.158 4.497 1.00 0.00 O ATOM 0 H SER A 40 7.791 -24.801 8.254 1.00 0.00 H new ATOM 0 HA SER A 40 8.659 -23.280 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.378 -25.855 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.782 -25.624 5.747 1.00 0.00 H new ATOM 0 HG SER A 40 8.381 -26.064 4.125 1.00 0.00 H new ATOM 552 N SER A 41 6.930 -21.882 5.158 1.00 0.00 N ATOM 553 CA SER A 41 5.938 -21.027 4.515 1.00 0.00 C ATOM 554 C SER A 41 5.741 -21.427 3.056 1.00 0.00 C ATOM 555 O SER A 41 5.641 -20.573 2.175 1.00 0.00 O ATOM 556 CB SER A 41 6.366 -19.561 4.601 1.00 0.00 C ATOM 557 OG SER A 41 5.979 -18.989 5.839 1.00 0.00 O ATOM 0 H SER A 41 7.889 -21.544 5.085 1.00 0.00 H new ATOM 0 HA SER A 41 4.991 -21.153 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.447 -19.487 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.918 -18.999 3.781 1.00 0.00 H new ATOM 0 HG SER A 41 6.265 -18.052 5.870 1.00 0.00 H new ATOM 563 N GLY A 42 5.687 -22.732 2.808 1.00 0.00 N ATOM 564 CA GLY A 42 5.502 -23.223 1.455 1.00 0.00 C ATOM 565 C GLY A 42 6.674 -22.889 0.552 1.00 0.00 C ATOM 566 O GLY A 42 7.054 -23.723 -0.268 1.00 0.00 O ATOM 0 H GLY A 42 5.768 -23.458 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.363 -24.304 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.591 -22.794 1.037 1.00 0.00 H new TER 570 GLY A 42 HETATM 571 ZN ZN A 200 0.466 -2.853 7.925 1.00 0.00 ZN