USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 404 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 42 HIS HE2 : A 42 HIS NE2 : A 401 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 180:sc= 0 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc=-0.00127 (180deg=-0.00127) USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= -0.0114 (180deg=-0.151) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -69:sc= 0.0437 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.05 X(o=-2.1,f=-2.1) USER MOD Single : A 47 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.579 34.474 28.884 1.00 0.00 N ATOM 2 CA GLY A 1 13.867 33.054 28.807 1.00 0.00 C ATOM 3 C GLY A 1 13.889 32.544 27.380 1.00 0.00 C ATOM 4 O GLY A 1 13.150 31.624 27.031 1.00 0.00 O ATOM 0 H1 GLY A 1 13.575 34.774 29.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.308 35.005 28.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.647 34.663 28.462 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.831 32.856 29.275 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.117 32.503 29.375 1.00 0.00 H new ATOM 8 N SER A 2 14.738 33.144 26.552 1.00 0.00 N ATOM 9 CA SER A 2 14.849 32.748 25.152 1.00 0.00 C ATOM 10 C SER A 2 14.864 31.229 25.017 1.00 0.00 C ATOM 11 O SER A 2 14.197 30.666 24.149 1.00 0.00 O ATOM 12 CB SER A 2 16.117 33.339 24.533 1.00 0.00 C ATOM 13 OG SER A 2 16.385 32.759 23.268 1.00 0.00 O ATOM 0 H SER A 2 15.359 33.906 26.826 1.00 0.00 H new ATOM 0 HA SER A 2 13.979 33.134 24.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.004 34.418 24.425 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.963 33.172 25.200 1.00 0.00 H new ATOM 0 HG SER A 2 17.199 33.155 22.893 1.00 0.00 H new ATOM 19 N SER A 3 15.629 30.571 25.882 1.00 0.00 N ATOM 20 CA SER A 3 15.734 29.117 25.858 1.00 0.00 C ATOM 21 C SER A 3 14.387 28.469 26.162 1.00 0.00 C ATOM 22 O SER A 3 13.816 28.670 27.233 1.00 0.00 O ATOM 23 CB SER A 3 16.780 28.643 26.869 1.00 0.00 C ATOM 24 OG SER A 3 17.393 27.439 26.442 1.00 0.00 O ATOM 0 H SER A 3 16.185 31.022 26.608 1.00 0.00 H new ATOM 0 HA SER A 3 16.044 28.817 24.857 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.539 29.414 27.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.309 28.490 27.840 1.00 0.00 H new ATOM 0 HG SER A 3 18.059 27.158 27.104 1.00 0.00 H new ATOM 30 N GLY A 4 13.883 27.690 25.209 1.00 0.00 N ATOM 31 CA GLY A 4 12.607 27.025 25.393 1.00 0.00 C ATOM 32 C GLY A 4 11.796 26.962 24.113 1.00 0.00 C ATOM 33 O GLY A 4 11.042 27.884 23.803 1.00 0.00 O ATOM 0 H GLY A 4 14.336 27.508 24.313 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.778 26.013 25.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.034 27.550 26.157 1.00 0.00 H new ATOM 37 N SER A 5 11.953 25.872 23.368 1.00 0.00 N ATOM 38 CA SER A 5 11.233 25.695 22.112 1.00 0.00 C ATOM 39 C SER A 5 10.327 24.470 22.174 1.00 0.00 C ATOM 40 O SER A 5 10.627 23.496 22.865 1.00 0.00 O ATOM 41 CB SER A 5 12.219 25.557 20.951 1.00 0.00 C ATOM 42 OG SER A 5 13.068 24.437 21.133 1.00 0.00 O ATOM 0 H SER A 5 12.572 25.099 23.612 1.00 0.00 H new ATOM 0 HA SER A 5 10.612 26.576 21.949 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.671 25.453 20.015 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.819 26.463 20.870 1.00 0.00 H new ATOM 0 HG SER A 5 13.688 24.370 20.377 1.00 0.00 H new ATOM 48 N SER A 6 9.216 24.526 21.446 1.00 0.00 N ATOM 49 CA SER A 6 8.263 23.423 21.419 1.00 0.00 C ATOM 50 C SER A 6 8.765 22.292 20.526 1.00 0.00 C ATOM 51 O SER A 6 9.753 22.444 19.810 1.00 0.00 O ATOM 52 CB SER A 6 6.899 23.911 20.925 1.00 0.00 C ATOM 53 OG SER A 6 6.941 24.229 19.545 1.00 0.00 O ATOM 0 H SER A 6 8.954 25.324 20.867 1.00 0.00 H new ATOM 0 HA SER A 6 8.159 23.041 22.435 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.148 23.141 21.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.595 24.789 21.495 1.00 0.00 H new ATOM 0 HG SER A 6 6.057 24.537 19.253 1.00 0.00 H new ATOM 59 N GLY A 7 8.075 21.157 20.576 1.00 0.00 N ATOM 60 CA GLY A 7 8.465 20.016 19.768 1.00 0.00 C ATOM 61 C GLY A 7 7.370 19.579 18.815 1.00 0.00 C ATOM 62 O GLY A 7 6.345 19.044 19.238 1.00 0.00 O ATOM 0 H GLY A 7 7.253 21.007 21.161 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.360 20.267 19.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.727 19.184 20.422 1.00 0.00 H new ATOM 66 N LEU A 8 7.585 19.809 17.524 1.00 0.00 N ATOM 67 CA LEU A 8 6.607 19.437 16.507 1.00 0.00 C ATOM 68 C LEU A 8 6.720 17.956 16.160 1.00 0.00 C ATOM 69 O LEU A 8 7.398 17.581 15.203 1.00 0.00 O ATOM 70 CB LEU A 8 6.804 20.284 15.249 1.00 0.00 C ATOM 71 CG LEU A 8 5.568 20.473 14.367 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.745 21.657 14.848 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.975 20.659 12.913 1.00 0.00 C ATOM 0 H LEU A 8 8.428 20.251 17.157 1.00 0.00 H new ATOM 0 HA LEU A 8 5.611 19.622 16.910 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.165 21.268 15.550 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.589 19.827 14.647 1.00 0.00 H new ATOM 0 HG LEU A 8 4.952 19.576 14.440 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.870 21.776 14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.423 21.483 15.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.351 22.562 14.806 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.084 20.792 12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.612 21.539 12.823 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.521 19.779 12.573 1.00 0.00 H new ATOM 85 N LYS A 9 6.049 17.118 16.942 1.00 0.00 N ATOM 86 CA LYS A 9 6.069 15.677 16.716 1.00 0.00 C ATOM 87 C LYS A 9 5.281 15.312 15.463 1.00 0.00 C ATOM 88 O LYS A 9 4.445 16.087 14.996 1.00 0.00 O ATOM 89 CB LYS A 9 5.492 14.942 17.928 1.00 0.00 C ATOM 90 CG LYS A 9 6.412 14.944 19.136 1.00 0.00 C ATOM 91 CD LYS A 9 7.383 13.777 19.099 1.00 0.00 C ATOM 92 CE LYS A 9 8.666 14.142 18.368 1.00 0.00 C ATOM 93 NZ LYS A 9 9.831 13.359 18.867 1.00 0.00 N ATOM 0 H LYS A 9 5.484 17.412 17.739 1.00 0.00 H new ATOM 0 HA LYS A 9 7.105 15.371 16.573 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.543 15.403 18.204 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.276 13.911 17.648 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.969 15.881 19.169 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.817 14.895 20.048 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.619 13.466 20.117 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.912 12.926 18.607 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.539 13.963 17.300 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.864 15.207 18.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.686 13.637 18.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.968 13.549 19.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.653 12.344 18.726 1.00 0.00 H new ATOM 107 N CYS A 10 5.551 14.128 14.925 1.00 0.00 N ATOM 108 CA CYS A 10 4.865 13.659 13.725 1.00 0.00 C ATOM 109 C CYS A 10 5.153 12.182 13.476 1.00 0.00 C ATOM 110 O CYS A 10 6.040 11.599 14.100 1.00 0.00 O ATOM 111 CB CYS A 10 5.293 14.486 12.512 1.00 0.00 C ATOM 112 SG CYS A 10 7.005 14.212 11.999 1.00 0.00 S ATOM 0 H CYS A 10 6.239 13.475 15.300 1.00 0.00 H new ATOM 0 HA CYS A 10 3.793 13.780 13.878 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.633 14.254 11.676 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.158 15.543 12.741 1.00 0.00 H new ATOM 0 HG CYS A 10 7.272 14.953 10.965 1.00 0.00 H new ATOM 118 N SER A 11 4.397 11.583 12.562 1.00 0.00 N ATOM 119 CA SER A 11 4.567 10.172 12.234 1.00 0.00 C ATOM 120 C SER A 11 4.183 9.902 10.783 1.00 0.00 C ATOM 121 O SER A 11 3.263 10.520 10.245 1.00 0.00 O ATOM 122 CB SER A 11 3.721 9.305 13.168 1.00 0.00 C ATOM 123 OG SER A 11 2.338 9.555 12.983 1.00 0.00 O ATOM 0 H SER A 11 3.661 12.053 12.035 1.00 0.00 H new ATOM 0 HA SER A 11 5.618 9.917 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.931 8.252 12.982 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.995 9.506 14.204 1.00 0.00 H new ATOM 0 HG SER A 11 1.819 8.987 13.590 1.00 0.00 H new ATOM 129 N THR A 12 4.895 8.972 10.152 1.00 0.00 N ATOM 130 CA THR A 12 4.631 8.619 8.763 1.00 0.00 C ATOM 131 C THR A 12 4.700 7.110 8.557 1.00 0.00 C ATOM 132 O THR A 12 5.560 6.435 9.123 1.00 0.00 O ATOM 133 CB THR A 12 5.630 9.303 7.810 1.00 0.00 C ATOM 134 OG1 THR A 12 5.260 9.051 6.450 1.00 0.00 O ATOM 135 CG2 THR A 12 7.044 8.801 8.058 1.00 0.00 C ATOM 0 H THR A 12 5.659 8.450 10.582 1.00 0.00 H new ATOM 0 HA THR A 12 3.624 8.968 8.533 1.00 0.00 H new ATOM 0 HB THR A 12 5.604 10.376 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.899 9.490 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.732 9.298 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.333 9.020 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.082 7.724 7.892 1.00 0.00 H new ATOM 143 N VAL A 13 3.790 6.587 7.742 1.00 0.00 N ATOM 144 CA VAL A 13 3.749 5.157 7.459 1.00 0.00 C ATOM 145 C VAL A 13 4.721 4.790 6.344 1.00 0.00 C ATOM 146 O VAL A 13 5.077 5.627 5.514 1.00 0.00 O ATOM 147 CB VAL A 13 2.332 4.704 7.060 1.00 0.00 C ATOM 148 CG1 VAL A 13 1.956 5.264 5.696 1.00 0.00 C ATOM 149 CG2 VAL A 13 2.237 3.186 7.066 1.00 0.00 C ATOM 0 H VAL A 13 3.071 7.132 7.266 1.00 0.00 H new ATOM 0 HA VAL A 13 4.041 4.644 8.375 1.00 0.00 H new ATOM 0 HB VAL A 13 1.625 5.093 7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.952 4.933 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.982 6.353 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.664 4.907 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.229 2.883 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.954 2.774 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.460 2.811 8.065 1.00 0.00 H new ATOM 159 N VAL A 14 5.148 3.531 6.329 1.00 0.00 N ATOM 160 CA VAL A 14 6.079 3.051 5.315 1.00 0.00 C ATOM 161 C VAL A 14 5.603 1.734 4.711 1.00 0.00 C ATOM 162 O VAL A 14 4.892 0.964 5.357 1.00 0.00 O ATOM 163 CB VAL A 14 7.492 2.856 5.896 1.00 0.00 C ATOM 164 CG1 VAL A 14 8.082 4.190 6.325 1.00 0.00 C ATOM 165 CG2 VAL A 14 7.457 1.880 7.063 1.00 0.00 C ATOM 0 H VAL A 14 4.864 2.825 7.008 1.00 0.00 H new ATOM 0 HA VAL A 14 6.117 3.812 4.536 1.00 0.00 H new ATOM 0 HB VAL A 14 8.131 2.437 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.080 4.032 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.143 4.855 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.446 4.641 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.463 1.754 7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.804 2.270 7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.079 0.917 6.721 1.00 0.00 H new ATOM 175 N CYS A 15 6.000 1.481 3.469 1.00 0.00 N ATOM 176 CA CYS A 15 5.615 0.258 2.776 1.00 0.00 C ATOM 177 C CYS A 15 5.499 -0.908 3.755 1.00 0.00 C ATOM 178 O CYS A 15 6.449 -1.229 4.470 1.00 0.00 O ATOM 179 CB CYS A 15 6.633 -0.078 1.685 1.00 0.00 C ATOM 180 SG CYS A 15 6.062 -1.335 0.496 1.00 0.00 S ATOM 0 H CYS A 15 6.589 2.108 2.921 1.00 0.00 H new ATOM 0 HA CYS A 15 4.641 0.423 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.882 0.834 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.551 -0.429 2.156 1.00 0.00 H new ATOM 185 N VAL A 16 4.329 -1.537 3.781 1.00 0.00 N ATOM 186 CA VAL A 16 4.089 -2.668 4.670 1.00 0.00 C ATOM 187 C VAL A 16 4.697 -3.948 4.109 1.00 0.00 C ATOM 188 O VAL A 16 4.377 -5.048 4.558 1.00 0.00 O ATOM 189 CB VAL A 16 2.582 -2.888 4.904 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.969 -1.685 5.604 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.875 -3.167 3.586 1.00 0.00 C ATOM 0 H VAL A 16 3.532 -1.283 3.197 1.00 0.00 H new ATOM 0 HA VAL A 16 4.566 -2.430 5.621 1.00 0.00 H new ATOM 0 HB VAL A 16 2.454 -3.757 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.904 -1.859 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.458 -1.536 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.105 -0.797 4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.811 -3.320 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.009 -2.319 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.297 -4.062 3.129 1.00 0.00 H new ATOM 201 N ILE A 17 5.577 -3.796 3.125 1.00 0.00 N ATOM 202 CA ILE A 17 6.232 -4.940 2.503 1.00 0.00 C ATOM 203 C ILE A 17 7.744 -4.878 2.692 1.00 0.00 C ATOM 204 O ILE A 17 8.353 -5.807 3.224 1.00 0.00 O ATOM 205 CB ILE A 17 5.918 -5.018 0.997 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.407 -4.956 0.765 1.00 0.00 C ATOM 207 CG2 ILE A 17 6.499 -6.292 0.400 1.00 0.00 C ATOM 208 CD1 ILE A 17 3.661 -6.151 1.317 1.00 0.00 C ATOM 0 H ILE A 17 5.853 -2.892 2.741 1.00 0.00 H new ATOM 0 HA ILE A 17 5.843 -5.832 2.994 1.00 0.00 H new ATOM 0 HB ILE A 17 6.378 -4.164 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.014 -4.049 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.215 -4.881 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.269 -6.333 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.580 -6.298 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.065 -7.158 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.595 -6.039 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.027 -7.060 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.823 -6.216 2.393 1.00 0.00 H new ATOM 220 N CYS A 18 8.345 -3.776 2.256 1.00 0.00 N ATOM 221 CA CYS A 18 9.786 -3.590 2.378 1.00 0.00 C ATOM 222 C CYS A 18 10.110 -2.520 3.417 1.00 0.00 C ATOM 223 O CYS A 18 11.229 -2.455 3.928 1.00 0.00 O ATOM 224 CB CYS A 18 10.388 -3.203 1.026 1.00 0.00 C ATOM 225 SG CYS A 18 9.853 -1.573 0.413 1.00 0.00 S ATOM 0 H CYS A 18 7.856 -2.997 1.815 1.00 0.00 H new ATOM 0 HA CYS A 18 10.223 -4.534 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.475 -3.209 1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.120 -3.962 0.291 1.00 0.00 H new ATOM 230 N LEU A 19 9.125 -1.684 3.724 1.00 0.00 N ATOM 231 CA LEU A 19 9.304 -0.617 4.702 1.00 0.00 C ATOM 232 C LEU A 19 10.179 0.498 4.137 1.00 0.00 C ATOM 233 O LEU A 19 11.190 0.868 4.732 1.00 0.00 O ATOM 234 CB LEU A 19 9.929 -1.171 5.983 1.00 0.00 C ATOM 235 CG LEU A 19 9.342 -2.484 6.502 1.00 0.00 C ATOM 236 CD1 LEU A 19 10.249 -3.093 7.561 1.00 0.00 C ATOM 237 CD2 LEU A 19 7.944 -2.259 7.061 1.00 0.00 C ATOM 0 H LEU A 19 8.194 -1.724 3.310 1.00 0.00 H new ATOM 0 HA LEU A 19 8.323 -0.202 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.995 -1.316 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.833 -0.418 6.766 1.00 0.00 H new ATOM 0 HG LEU A 19 9.271 -3.182 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.815 -4.027 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.230 -3.291 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.352 -2.398 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.542 -3.204 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.991 -1.544 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.297 -1.868 6.276 1.00 0.00 H new ATOM 249 N GLU A 20 9.780 1.030 2.986 1.00 0.00 N ATOM 250 CA GLU A 20 10.528 2.104 2.342 1.00 0.00 C ATOM 251 C GLU A 20 9.591 3.213 1.871 1.00 0.00 C ATOM 252 O GLU A 20 8.395 2.993 1.682 1.00 0.00 O ATOM 253 CB GLU A 20 11.328 1.559 1.157 1.00 0.00 C ATOM 254 CG GLU A 20 12.366 0.522 1.548 1.00 0.00 C ATOM 255 CD GLU A 20 13.450 0.357 0.501 1.00 0.00 C ATOM 256 OE1 GLU A 20 14.316 1.251 0.396 1.00 0.00 O ATOM 257 OE2 GLU A 20 13.432 -0.667 -0.214 1.00 0.00 O ATOM 0 H GLU A 20 8.944 0.735 2.481 1.00 0.00 H new ATOM 0 HA GLU A 20 11.218 2.522 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.639 1.117 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.826 2.388 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.822 0.809 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.873 -0.437 1.709 1.00 0.00 H new ATOM 264 N LYS A 21 10.144 4.407 1.684 1.00 0.00 N ATOM 265 CA LYS A 21 9.361 5.551 1.235 1.00 0.00 C ATOM 266 C LYS A 21 8.390 5.147 0.130 1.00 0.00 C ATOM 267 O LYS A 21 8.767 4.984 -1.031 1.00 0.00 O ATOM 268 CB LYS A 21 10.285 6.663 0.734 1.00 0.00 C ATOM 269 CG LYS A 21 9.554 7.789 0.024 1.00 0.00 C ATOM 270 CD LYS A 21 10.506 8.898 -0.391 1.00 0.00 C ATOM 271 CE LYS A 21 9.846 9.865 -1.363 1.00 0.00 C ATOM 272 NZ LYS A 21 10.010 9.428 -2.777 1.00 0.00 N ATOM 0 H LYS A 21 11.132 4.607 1.837 1.00 0.00 H new ATOM 0 HA LYS A 21 8.785 5.920 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.835 7.075 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.021 6.233 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.046 7.396 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.785 8.195 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.841 9.441 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.392 8.464 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.785 9.947 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.278 10.858 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.547 10.113 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.022 9.374 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.575 8.492 -2.904 1.00 0.00 H new ATOM 286 N PRO A 22 7.111 4.981 0.497 1.00 0.00 N ATOM 287 CA PRO A 22 6.060 4.595 -0.450 1.00 0.00 C ATOM 288 C PRO A 22 5.735 5.709 -1.440 1.00 0.00 C ATOM 289 O PRO A 22 5.384 6.821 -1.046 1.00 0.00 O ATOM 290 CB PRO A 22 4.856 4.314 0.453 1.00 0.00 C ATOM 291 CG PRO A 22 5.100 5.129 1.675 1.00 0.00 C ATOM 292 CD PRO A 22 6.591 5.158 1.863 1.00 0.00 C ATOM 0 HA PRO A 22 6.357 3.745 -1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.922 4.598 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.780 3.253 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.702 6.137 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.606 4.690 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.923 6.100 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.928 4.362 2.527 1.00 0.00 H new ATOM 300 N LYS A 23 5.852 5.402 -2.727 1.00 0.00 N ATOM 301 CA LYS A 23 5.569 6.375 -3.775 1.00 0.00 C ATOM 302 C LYS A 23 4.071 6.456 -4.053 1.00 0.00 C ATOM 303 O LYS A 23 3.545 7.523 -4.368 1.00 0.00 O ATOM 304 CB LYS A 23 6.317 6.007 -5.058 1.00 0.00 C ATOM 305 CG LYS A 23 7.801 6.327 -5.010 1.00 0.00 C ATOM 306 CD LYS A 23 8.421 6.306 -6.398 1.00 0.00 C ATOM 307 CE LYS A 23 9.897 6.670 -6.354 1.00 0.00 C ATOM 308 NZ LYS A 23 10.108 8.087 -5.947 1.00 0.00 N ATOM 0 H LYS A 23 6.141 4.486 -3.070 1.00 0.00 H new ATOM 0 HA LYS A 23 5.910 7.351 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.190 4.942 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.866 6.538 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.948 7.309 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.310 5.604 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.302 5.315 -6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.892 7.006 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.413 6.011 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.341 6.504 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.897 8.491 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.243 8.634 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.332 8.127 -4.932 1.00 0.00 H new ATOM 322 N TYR A 24 3.390 5.322 -3.932 1.00 0.00 N ATOM 323 CA TYR A 24 1.953 5.264 -4.171 1.00 0.00 C ATOM 324 C TYR A 24 1.264 4.379 -3.137 1.00 0.00 C ATOM 325 O TYR A 24 1.919 3.752 -2.304 1.00 0.00 O ATOM 326 CB TYR A 24 1.669 4.737 -5.579 1.00 0.00 C ATOM 327 CG TYR A 24 2.763 5.051 -6.575 1.00 0.00 C ATOM 328 CD1 TYR A 24 3.899 4.255 -6.663 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.662 6.144 -7.426 1.00 0.00 C ATOM 330 CE1 TYR A 24 4.901 4.538 -7.570 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.658 6.434 -8.338 1.00 0.00 C ATOM 332 CZ TYR A 24 4.776 5.628 -8.406 1.00 0.00 C ATOM 333 OH TYR A 24 5.771 5.915 -9.312 1.00 0.00 O ATOM 0 H TYR A 24 3.810 4.430 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 24 1.555 6.275 -4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.531 3.657 -5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.731 5.164 -5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.000 3.400 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.789 6.778 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.778 3.909 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.562 7.287 -8.994 1.00 0.00 H new ATOM 0 HH TYR A 24 5.526 6.714 -9.824 1.00 0.00 H new ATOM 343 N ARG A 25 -0.063 4.334 -3.196 1.00 0.00 N ATOM 344 CA ARG A 25 -0.843 3.528 -2.265 1.00 0.00 C ATOM 345 C ARG A 25 -1.843 2.649 -3.012 1.00 0.00 C ATOM 346 O ARG A 25 -2.141 2.887 -4.182 1.00 0.00 O ATOM 347 CB ARG A 25 -1.581 4.428 -1.272 1.00 0.00 C ATOM 348 CG ARG A 25 -0.780 4.735 -0.017 1.00 0.00 C ATOM 349 CD ARG A 25 -1.624 5.461 1.019 1.00 0.00 C ATOM 350 NE ARG A 25 -2.134 6.733 0.515 1.00 0.00 N ATOM 351 CZ ARG A 25 -3.143 7.393 1.073 1.00 0.00 C ATOM 352 NH1 ARG A 25 -3.745 6.904 2.148 1.00 0.00 N ATOM 353 NH2 ARG A 25 -3.551 8.545 0.556 1.00 0.00 N ATOM 0 H ARG A 25 -0.620 4.847 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.155 2.883 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.839 5.365 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.518 3.949 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.399 3.807 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.085 5.346 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.460 4.827 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.027 5.639 1.913 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.691 7.137 -0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.434 6.019 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.519 7.413 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.090 8.925 -0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.326 9.051 0.985 1.00 0.00 H new ATOM 367 N CYS A 26 -2.356 1.633 -2.327 1.00 0.00 N ATOM 368 CA CYS A 26 -3.321 0.718 -2.924 1.00 0.00 C ATOM 369 C CYS A 26 -4.694 1.374 -3.040 1.00 0.00 C ATOM 370 O CYS A 26 -5.268 1.848 -2.059 1.00 0.00 O ATOM 371 CB CYS A 26 -3.425 -0.562 -2.092 1.00 0.00 C ATOM 372 SG CYS A 26 -4.473 -1.851 -2.837 1.00 0.00 S ATOM 0 H CYS A 26 -2.119 1.422 -1.357 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.972 0.466 -3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.424 -0.966 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.821 -0.311 -1.108 1.00 0.00 H new ATOM 377 N PRO A 27 -5.234 1.404 -4.267 1.00 0.00 N ATOM 378 CA PRO A 27 -6.545 1.999 -4.541 1.00 0.00 C ATOM 379 C PRO A 27 -7.688 1.179 -3.952 1.00 0.00 C ATOM 380 O PRO A 27 -8.857 1.419 -4.254 1.00 0.00 O ATOM 381 CB PRO A 27 -6.621 2.001 -6.070 1.00 0.00 C ATOM 382 CG PRO A 27 -5.716 0.897 -6.496 1.00 0.00 C ATOM 383 CD PRO A 27 -4.605 0.859 -5.482 1.00 0.00 C ATOM 0 HA PRO A 27 -6.645 2.988 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.641 1.833 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.299 2.958 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.248 -0.054 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.325 1.077 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.239 -0.156 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.752 1.460 -5.797 1.00 0.00 H new ATOM 391 N ALA A 28 -7.343 0.211 -3.109 1.00 0.00 N ATOM 392 CA ALA A 28 -8.340 -0.642 -2.476 1.00 0.00 C ATOM 393 C ALA A 28 -8.315 -0.483 -0.959 1.00 0.00 C ATOM 394 O ALA A 28 -9.266 0.022 -0.362 1.00 0.00 O ATOM 395 CB ALA A 28 -8.111 -2.096 -2.860 1.00 0.00 C ATOM 0 H ALA A 28 -6.380 -0.002 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.324 -0.335 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.863 -2.722 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.187 -2.203 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.118 -2.407 -2.534 1.00 0.00 H new ATOM 401 N CYS A 29 -7.222 -0.918 -0.341 1.00 0.00 N ATOM 402 CA CYS A 29 -7.073 -0.825 1.106 1.00 0.00 C ATOM 403 C CYS A 29 -6.339 0.454 1.496 1.00 0.00 C ATOM 404 O CYS A 29 -6.328 0.844 2.664 1.00 0.00 O ATOM 405 CB CYS A 29 -6.317 -2.043 1.641 1.00 0.00 C ATOM 406 SG CYS A 29 -4.786 -2.426 0.732 1.00 0.00 S ATOM 0 H CYS A 29 -6.426 -1.339 -0.820 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.069 -0.801 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.072 -1.873 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.975 -2.911 1.604 1.00 0.00 H new ATOM 411 N ARG A 30 -5.726 1.103 0.511 1.00 0.00 N ATOM 412 CA ARG A 30 -4.989 2.337 0.751 1.00 0.00 C ATOM 413 C ARG A 30 -3.757 2.076 1.613 1.00 0.00 C ATOM 414 O ARG A 30 -3.576 2.698 2.660 1.00 0.00 O ATOM 415 CB ARG A 30 -5.890 3.370 1.430 1.00 0.00 C ATOM 416 CG ARG A 30 -7.150 3.690 0.643 1.00 0.00 C ATOM 417 CD ARG A 30 -6.899 4.772 -0.395 1.00 0.00 C ATOM 418 NE ARG A 30 -6.774 6.095 0.211 1.00 0.00 N ATOM 419 CZ ARG A 30 -6.913 7.230 -0.465 1.00 0.00 C ATOM 420 NH1 ARG A 30 -7.180 7.203 -1.764 1.00 0.00 N ATOM 421 NH2 ARG A 30 -6.784 8.394 0.157 1.00 0.00 N ATOM 0 H ARG A 30 -5.726 0.794 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.661 2.728 -0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.172 3.001 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.324 4.289 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.511 2.788 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.934 4.015 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.989 4.539 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.717 4.779 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.569 6.150 1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.279 6.309 -2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.286 8.076 -2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.578 8.419 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.891 9.265 -0.363 1.00 0.00 H new ATOM 435 N VAL A 31 -2.914 1.151 1.166 1.00 0.00 N ATOM 436 CA VAL A 31 -1.699 0.807 1.896 1.00 0.00 C ATOM 437 C VAL A 31 -0.461 1.345 1.187 1.00 0.00 C ATOM 438 O VAL A 31 -0.438 1.515 -0.033 1.00 0.00 O ATOM 439 CB VAL A 31 -1.558 -0.717 2.065 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.598 -1.244 3.043 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.678 -1.416 0.719 1.00 0.00 C ATOM 0 H VAL A 31 -3.050 0.626 0.302 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.780 1.268 2.880 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.570 -0.930 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.483 -2.323 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.460 -0.766 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.597 -1.021 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.576 -2.492 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.652 -1.197 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.892 -1.060 0.053 1.00 0.00 H new ATOM 451 N PRO A 32 0.595 1.620 1.966 1.00 0.00 N ATOM 452 CA PRO A 32 1.857 2.142 1.434 1.00 0.00 C ATOM 453 C PRO A 32 2.612 1.104 0.610 1.00 0.00 C ATOM 454 O PRO A 32 2.873 -0.004 1.078 1.00 0.00 O ATOM 455 CB PRO A 32 2.650 2.504 2.693 1.00 0.00 C ATOM 456 CG PRO A 32 2.094 1.623 3.757 1.00 0.00 C ATOM 457 CD PRO A 32 0.638 1.442 3.427 1.00 0.00 C ATOM 0 HA PRO A 32 1.698 2.982 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.717 2.330 2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.529 3.557 2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.611 0.664 3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.218 2.074 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.278 0.456 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.016 2.175 3.940 1.00 0.00 H new ATOM 465 N TYR A 33 2.960 1.471 -0.618 1.00 0.00 N ATOM 466 CA TYR A 33 3.684 0.571 -1.508 1.00 0.00 C ATOM 467 C TYR A 33 4.583 1.353 -2.461 1.00 0.00 C ATOM 468 O TYR A 33 4.125 2.248 -3.172 1.00 0.00 O ATOM 469 CB TYR A 33 2.702 -0.289 -2.306 1.00 0.00 C ATOM 470 CG TYR A 33 2.352 0.289 -3.659 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.302 0.370 -4.668 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.070 0.752 -3.927 1.00 0.00 C ATOM 473 CE1 TYR A 33 2.987 0.898 -5.905 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.745 1.280 -5.162 1.00 0.00 C ATOM 475 CZ TYR A 33 1.707 1.351 -6.147 1.00 0.00 C ATOM 476 OH TYR A 33 1.388 1.876 -7.379 1.00 0.00 O ATOM 0 H TYR A 33 2.753 2.385 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 33 4.311 -0.077 -0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.131 -1.282 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.788 -0.414 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.305 0.014 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.314 0.698 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.739 0.956 -6.678 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.257 1.635 -5.354 1.00 0.00 H new ATOM 0 HH TYR A 33 1.845 2.735 -7.497 1.00 0.00 H new ATOM 486 N CYS A 34 5.866 1.008 -2.471 1.00 0.00 N ATOM 487 CA CYS A 34 6.832 1.676 -3.335 1.00 0.00 C ATOM 488 C CYS A 34 6.507 1.429 -4.805 1.00 0.00 C ATOM 489 O CYS A 34 6.027 2.323 -5.504 1.00 0.00 O ATOM 490 CB CYS A 34 8.248 1.187 -3.026 1.00 0.00 C ATOM 491 SG CYS A 34 8.356 -0.594 -2.659 1.00 0.00 S ATOM 0 H CYS A 34 6.261 0.269 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 34 6.775 2.747 -3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.892 1.412 -3.876 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.637 1.747 -2.175 1.00 0.00 H new ATOM 496 N SER A 35 6.771 0.212 -5.268 1.00 0.00 N ATOM 497 CA SER A 35 6.510 -0.152 -6.656 1.00 0.00 C ATOM 498 C SER A 35 5.467 -1.262 -6.740 1.00 0.00 C ATOM 499 O SER A 35 4.907 -1.681 -5.728 1.00 0.00 O ATOM 500 CB SER A 35 7.804 -0.598 -7.340 1.00 0.00 C ATOM 501 OG SER A 35 8.825 0.371 -7.182 1.00 0.00 O ATOM 0 H SER A 35 7.166 -0.539 -4.702 1.00 0.00 H new ATOM 0 HA SER A 35 6.121 0.727 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.132 -1.548 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.619 -0.766 -8.401 1.00 0.00 H new ATOM 0 HG SER A 35 9.642 0.061 -7.627 1.00 0.00 H new ATOM 507 N VAL A 36 5.212 -1.734 -7.956 1.00 0.00 N ATOM 508 CA VAL A 36 4.238 -2.797 -8.175 1.00 0.00 C ATOM 509 C VAL A 36 4.641 -4.072 -7.442 1.00 0.00 C ATOM 510 O VAL A 36 3.818 -4.711 -6.786 1.00 0.00 O ATOM 511 CB VAL A 36 4.075 -3.110 -9.674 1.00 0.00 C ATOM 512 CG1 VAL A 36 3.021 -4.186 -9.884 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.720 -1.847 -10.445 1.00 0.00 C ATOM 0 H VAL A 36 5.666 -1.397 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 36 3.287 -2.440 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 36 5.024 -3.487 -10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.920 -4.393 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.321 -5.096 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.065 -3.841 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.608 -2.086 -11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.784 -1.439 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.513 -1.110 -10.321 1.00 0.00 H new ATOM 523 N VAL A 37 5.914 -4.436 -7.557 1.00 0.00 N ATOM 524 CA VAL A 37 6.429 -5.634 -6.904 1.00 0.00 C ATOM 525 C VAL A 37 5.800 -5.822 -5.528 1.00 0.00 C ATOM 526 O VAL A 37 5.157 -6.838 -5.260 1.00 0.00 O ATOM 527 CB VAL A 37 7.960 -5.578 -6.754 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.469 -6.800 -6.005 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.625 -5.463 -8.117 1.00 0.00 C ATOM 0 H VAL A 37 6.608 -3.918 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 37 6.166 -6.479 -7.540 1.00 0.00 H new ATOM 0 HB VAL A 37 8.218 -4.692 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.553 -6.742 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.018 -6.833 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.201 -7.702 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.707 -5.425 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.361 -6.328 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.285 -4.554 -8.612 1.00 0.00 H new ATOM 539 N CYS A 38 5.990 -4.837 -4.657 1.00 0.00 N ATOM 540 CA CYS A 38 5.443 -4.892 -3.307 1.00 0.00 C ATOM 541 C CYS A 38 3.918 -4.927 -3.339 1.00 0.00 C ATOM 542 O CYS A 38 3.280 -5.504 -2.459 1.00 0.00 O ATOM 543 CB CYS A 38 5.919 -3.689 -2.491 1.00 0.00 C ATOM 544 SG CYS A 38 7.565 -3.905 -1.739 1.00 0.00 S ATOM 0 H CYS A 38 6.520 -3.990 -4.863 1.00 0.00 H new ATOM 0 HA CYS A 38 5.800 -5.807 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.938 -2.811 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.194 -3.489 -1.702 1.00 0.00 H new ATOM 549 N PHE A 39 3.339 -4.305 -4.361 1.00 0.00 N ATOM 550 CA PHE A 39 1.889 -4.263 -4.509 1.00 0.00 C ATOM 551 C PHE A 39 1.341 -5.638 -4.882 1.00 0.00 C ATOM 552 O PHE A 39 0.221 -5.992 -4.513 1.00 0.00 O ATOM 553 CB PHE A 39 1.493 -3.238 -5.573 1.00 0.00 C ATOM 554 CG PHE A 39 0.048 -3.320 -5.976 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.955 -3.273 -5.021 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.307 -3.444 -7.310 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.285 -3.348 -5.388 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.636 -3.518 -7.683 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.626 -3.472 -6.721 1.00 0.00 C ATOM 0 H PHE A 39 3.852 -3.823 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 39 1.459 -3.967 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.701 -2.236 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.117 -3.382 -6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.694 -3.177 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.463 -3.483 -8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.057 -3.310 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.900 -3.612 -8.726 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.665 -3.533 -7.010 1.00 0.00 H new ATOM 569 N ARG A 40 2.138 -6.407 -5.616 1.00 0.00 N ATOM 570 CA ARG A 40 1.733 -7.741 -6.041 1.00 0.00 C ATOM 571 C ARG A 40 1.598 -8.676 -4.842 1.00 0.00 C ATOM 572 O ARG A 40 0.496 -9.102 -4.494 1.00 0.00 O ATOM 573 CB ARG A 40 2.745 -8.313 -7.035 1.00 0.00 C ATOM 574 CG ARG A 40 2.925 -7.459 -8.279 1.00 0.00 C ATOM 575 CD ARG A 40 3.425 -8.286 -9.454 1.00 0.00 C ATOM 576 NE ARG A 40 2.329 -8.916 -10.185 1.00 0.00 N ATOM 577 CZ ARG A 40 1.416 -8.237 -10.870 1.00 0.00 C ATOM 578 NH1 ARG A 40 1.467 -6.913 -10.918 1.00 0.00 N ATOM 579 NH2 ARG A 40 0.449 -8.882 -11.510 1.00 0.00 N ATOM 0 H ARG A 40 3.068 -6.129 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 40 0.762 -7.660 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.708 -8.423 -6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.425 -9.311 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.976 -6.990 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.632 -6.655 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.993 -7.648 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.108 -9.054 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 40 2.261 -9.934 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.209 -6.413 -10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.764 -6.394 -11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.406 -9.901 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.252 -8.359 -12.036 1.00 0.00 H new ATOM 593 N LYS A 41 2.725 -8.992 -4.214 1.00 0.00 N ATOM 594 CA LYS A 41 2.735 -9.875 -3.054 1.00 0.00 C ATOM 595 C LYS A 41 1.578 -9.550 -2.114 1.00 0.00 C ATOM 596 O LYS A 41 0.981 -10.445 -1.516 1.00 0.00 O ATOM 597 CB LYS A 41 4.064 -9.753 -2.306 1.00 0.00 C ATOM 598 CG LYS A 41 5.270 -10.152 -3.139 1.00 0.00 C ATOM 599 CD LYS A 41 6.513 -9.384 -2.724 1.00 0.00 C ATOM 600 CE LYS A 41 7.226 -10.062 -1.563 1.00 0.00 C ATOM 601 NZ LYS A 41 8.419 -9.290 -1.118 1.00 0.00 N ATOM 0 H LYS A 41 3.645 -8.649 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 41 2.617 -10.900 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.189 -8.723 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.027 -10.377 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.450 -11.222 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.062 -9.968 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.192 -9.304 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.237 -8.369 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.534 -10.175 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.533 -11.065 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.877 -9.785 -0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.091 -9.204 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.124 -8.342 -0.810 1.00 0.00 H new ATOM 615 N HIS A 42 1.266 -8.264 -1.990 1.00 0.00 N ATOM 616 CA HIS A 42 0.179 -7.821 -1.123 1.00 0.00 C ATOM 617 C HIS A 42 -1.177 -8.150 -1.742 1.00 0.00 C ATOM 618 O HIS A 42 -2.038 -8.747 -1.095 1.00 0.00 O ATOM 619 CB HIS A 42 0.284 -6.318 -0.865 1.00 0.00 C ATOM 620 CG HIS A 42 -1.045 -5.636 -0.748 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.803 -5.659 0.404 1.00 0.00 N ATOM 622 CD2 HIS A 42 -1.749 -4.908 -1.645 1.00 0.00 C ATOM 623 CE1 HIS A 42 -2.917 -4.976 0.209 1.00 0.00 C ATOM 624 NE2 HIS A 42 -2.908 -4.509 -1.027 1.00 0.00 N ATOM 0 H HIS A 42 1.750 -7.510 -2.478 1.00 0.00 H new ATOM 0 HA HIS A 42 0.264 -8.351 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.849 -6.154 0.052 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.850 -5.857 -1.675 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.544 -6.130 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.454 -4.683 -2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.701 -4.825 0.936 1.00 0.00 H new ATOM 632 N LYS A 43 -1.360 -7.756 -2.997 1.00 0.00 N ATOM 633 CA LYS A 43 -2.610 -8.008 -3.704 1.00 0.00 C ATOM 634 C LYS A 43 -3.083 -9.440 -3.478 1.00 0.00 C ATOM 635 O LYS A 43 -4.283 -9.699 -3.387 1.00 0.00 O ATOM 636 CB LYS A 43 -2.434 -7.749 -5.202 1.00 0.00 C ATOM 637 CG LYS A 43 -2.772 -6.328 -5.618 1.00 0.00 C ATOM 638 CD LYS A 43 -4.272 -6.131 -5.761 1.00 0.00 C ATOM 639 CE LYS A 43 -4.765 -6.577 -7.129 1.00 0.00 C ATOM 640 NZ LYS A 43 -6.252 -6.625 -7.194 1.00 0.00 N ATOM 0 H LYS A 43 -0.658 -7.260 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.365 -7.328 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.402 -7.964 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.066 -8.441 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.381 -5.629 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.282 -6.099 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.790 -6.695 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.518 -5.080 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.390 -5.893 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.359 -7.563 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.548 -6.933 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.609 -7.296 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.639 -5.679 -7.001 1.00 0.00 H new ATOM 654 N GLU A 44 -2.133 -10.366 -3.385 1.00 0.00 N ATOM 655 CA GLU A 44 -2.456 -11.771 -3.168 1.00 0.00 C ATOM 656 C GLU A 44 -3.476 -11.928 -2.045 1.00 0.00 C ATOM 657 O GLU A 44 -4.395 -12.742 -2.137 1.00 0.00 O ATOM 658 CB GLU A 44 -1.189 -12.562 -2.835 1.00 0.00 C ATOM 659 CG GLU A 44 -0.198 -12.637 -3.985 1.00 0.00 C ATOM 660 CD GLU A 44 0.999 -13.511 -3.668 1.00 0.00 C ATOM 661 OE1 GLU A 44 1.897 -13.045 -2.936 1.00 0.00 O ATOM 662 OE2 GLU A 44 1.038 -14.662 -4.151 1.00 0.00 O ATOM 0 H GLU A 44 -1.135 -10.168 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.891 -12.164 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.701 -12.104 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.469 -13.574 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.703 -13.026 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.146 -11.632 -4.230 1.00 0.00 H new ATOM 669 N GLN A 45 -3.306 -11.144 -0.985 1.00 0.00 N ATOM 670 CA GLN A 45 -4.212 -11.197 0.157 1.00 0.00 C ATOM 671 C GLN A 45 -4.762 -9.812 0.480 1.00 0.00 C ATOM 672 O GLN A 45 -5.177 -9.545 1.608 1.00 0.00 O ATOM 673 CB GLN A 45 -3.492 -11.771 1.379 1.00 0.00 C ATOM 674 CG GLN A 45 -2.341 -10.908 1.868 1.00 0.00 C ATOM 675 CD GLN A 45 -2.783 -9.854 2.864 1.00 0.00 C ATOM 676 OE1 GLN A 45 -3.374 -10.169 3.897 1.00 0.00 O ATOM 677 NE2 GLN A 45 -2.500 -8.593 2.558 1.00 0.00 N ATOM 0 H GLN A 45 -2.550 -10.465 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.047 -11.848 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.211 -11.896 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.113 -12.763 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.586 -11.544 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.869 -10.421 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.008 -8.377 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.774 -7.841 3.190 1.00 0.00 H new ATOM 686 N CYS A 46 -4.761 -8.933 -0.517 1.00 0.00 N ATOM 687 CA CYS A 46 -5.259 -7.574 -0.339 1.00 0.00 C ATOM 688 C CYS A 46 -6.744 -7.580 0.012 1.00 0.00 C ATOM 689 O CYS A 46 -7.589 -7.883 -0.828 1.00 0.00 O ATOM 690 CB CYS A 46 -5.027 -6.754 -1.610 1.00 0.00 C ATOM 691 SG CYS A 46 -6.061 -5.258 -1.728 1.00 0.00 S ATOM 0 H CYS A 46 -4.421 -9.138 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.711 -7.118 0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -3.978 -6.462 -1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.220 -7.385 -2.477 1.00 0.00 H new ATOM 696 N ASN A 47 -7.052 -7.243 1.260 1.00 0.00 N ATOM 697 CA ASN A 47 -8.435 -7.210 1.723 1.00 0.00 C ATOM 698 C ASN A 47 -8.864 -5.784 2.055 1.00 0.00 C ATOM 699 O ASN A 47 -8.552 -5.247 3.118 1.00 0.00 O ATOM 700 CB ASN A 47 -8.604 -8.104 2.953 1.00 0.00 C ATOM 701 CG ASN A 47 -7.511 -7.886 3.981 1.00 0.00 C ATOM 702 OD1 ASN A 47 -6.326 -8.036 3.685 1.00 0.00 O ATOM 703 ND2 ASN A 47 -7.906 -7.530 5.198 1.00 0.00 N ATOM 0 H ASN A 47 -6.364 -6.989 1.968 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.070 -7.584 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.574 -7.908 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.603 -9.149 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.216 -7.369 5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.900 -7.417 5.399 1.00 0.00 H new ATOM 710 N PRO A 48 -9.596 -5.155 1.124 1.00 0.00 N ATOM 711 CA PRO A 48 -10.085 -3.783 1.294 1.00 0.00 C ATOM 712 C PRO A 48 -11.172 -3.683 2.359 1.00 0.00 C ATOM 713 O PRO A 48 -11.905 -2.697 2.418 1.00 0.00 O ATOM 714 CB PRO A 48 -10.652 -3.434 -0.084 1.00 0.00 C ATOM 715 CG PRO A 48 -11.012 -4.747 -0.688 1.00 0.00 C ATOM 716 CD PRO A 48 -10.005 -5.734 -0.167 1.00 0.00 C ATOM 0 HA PRO A 48 -9.297 -3.108 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.523 -2.784 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.918 -2.906 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.025 -5.040 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.982 -4.697 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.441 -6.725 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.159 -5.841 -0.846 1.00 0.00 H new ATOM 724 N GLU A 49 -11.270 -4.711 3.196 1.00 0.00 N ATOM 725 CA GLU A 49 -12.269 -4.737 4.258 1.00 0.00 C ATOM 726 C GLU A 49 -11.816 -3.903 5.453 1.00 0.00 C ATOM 727 O GLU A 49 -12.011 -4.290 6.606 1.00 0.00 O ATOM 728 CB GLU A 49 -12.538 -6.177 4.700 1.00 0.00 C ATOM 729 CG GLU A 49 -11.406 -6.786 5.510 1.00 0.00 C ATOM 730 CD GLU A 49 -11.903 -7.722 6.595 1.00 0.00 C ATOM 731 OE1 GLU A 49 -13.065 -7.566 7.025 1.00 0.00 O ATOM 732 OE2 GLU A 49 -11.130 -8.609 7.014 1.00 0.00 O ATOM 0 H GLU A 49 -10.671 -5.536 3.159 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.190 -4.306 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.452 -6.201 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.714 -6.792 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.739 -7.331 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.819 -5.988 5.965 1.00 0.00 H new ATOM 739 N THR A 50 -11.209 -2.755 5.169 1.00 0.00 N ATOM 740 CA THR A 50 -10.726 -1.866 6.218 1.00 0.00 C ATOM 741 C THR A 50 -11.789 -0.844 6.605 1.00 0.00 C ATOM 742 O THR A 50 -12.489 -0.307 5.747 1.00 0.00 O ATOM 743 CB THR A 50 -9.450 -1.122 5.781 1.00 0.00 C ATOM 744 OG1 THR A 50 -9.079 -0.161 6.775 1.00 0.00 O ATOM 745 CG2 THR A 50 -9.662 -0.423 4.447 1.00 0.00 C ATOM 0 H THR A 50 -11.040 -2.419 4.221 1.00 0.00 H new ATOM 0 HA THR A 50 -10.496 -2.491 7.081 1.00 0.00 H new ATOM 0 HB THR A 50 -8.650 -1.853 5.667 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.266 0.307 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.748 0.096 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.916 -1.161 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.474 0.298 4.539 1.00 0.00 H new ATOM 753 N SER A 51 -11.904 -0.579 7.903 1.00 0.00 N ATOM 754 CA SER A 51 -12.884 0.377 8.404 1.00 0.00 C ATOM 755 C SER A 51 -12.624 1.770 7.838 1.00 0.00 C ATOM 756 O SER A 51 -11.531 2.060 7.353 1.00 0.00 O ATOM 757 CB SER A 51 -12.850 0.421 9.933 1.00 0.00 C ATOM 758 OG SER A 51 -11.559 0.766 10.404 1.00 0.00 O ATOM 0 H SER A 51 -11.330 -1.013 8.626 1.00 0.00 H new ATOM 0 HA SER A 51 -13.872 0.050 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.579 1.146 10.295 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.140 -0.550 10.335 1.00 0.00 H new ATOM 0 HG SER A 51 -11.564 0.789 11.384 1.00 0.00 H new ATOM 764 N GLY A 52 -13.637 2.628 7.904 1.00 0.00 N ATOM 765 CA GLY A 52 -13.499 3.980 7.395 1.00 0.00 C ATOM 766 C GLY A 52 -14.272 4.197 6.109 1.00 0.00 C ATOM 767 O GLY A 52 -15.491 4.367 6.114 1.00 0.00 O ATOM 0 H GLY A 52 -14.551 2.411 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.848 4.686 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.444 4.194 7.222 1.00 0.00 H new ATOM 771 N PRO A 53 -13.555 4.195 4.975 1.00 0.00 N ATOM 772 CA PRO A 53 -14.161 4.394 3.655 1.00 0.00 C ATOM 773 C PRO A 53 -15.022 3.209 3.229 1.00 0.00 C ATOM 774 O PRO A 53 -14.555 2.071 3.193 1.00 0.00 O ATOM 775 CB PRO A 53 -12.952 4.537 2.728 1.00 0.00 C ATOM 776 CG PRO A 53 -11.853 3.811 3.423 1.00 0.00 C ATOM 777 CD PRO A 53 -12.098 3.999 4.895 1.00 0.00 C ATOM 0 HA PRO A 53 -14.831 5.253 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.152 4.106 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.696 5.585 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.856 2.753 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.880 4.209 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.777 3.130 5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.555 4.859 5.286 1.00 0.00 H new ATOM 785 N SER A 54 -16.282 3.485 2.906 1.00 0.00 N ATOM 786 CA SER A 54 -17.209 2.441 2.485 1.00 0.00 C ATOM 787 C SER A 54 -17.784 2.749 1.106 1.00 0.00 C ATOM 788 O SER A 54 -18.224 3.868 0.840 1.00 0.00 O ATOM 789 CB SER A 54 -18.342 2.296 3.502 1.00 0.00 C ATOM 790 OG SER A 54 -19.194 1.214 3.165 1.00 0.00 O ATOM 0 H SER A 54 -16.684 4.422 2.928 1.00 0.00 H new ATOM 0 HA SER A 54 -16.659 1.502 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.924 2.138 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.920 3.219 3.542 1.00 0.00 H new ATOM 0 HG SER A 54 -19.909 1.141 3.831 1.00 0.00 H new ATOM 796 N SER A 55 -17.776 1.748 0.231 1.00 0.00 N ATOM 797 CA SER A 55 -18.293 1.912 -1.123 1.00 0.00 C ATOM 798 C SER A 55 -17.703 3.155 -1.783 1.00 0.00 C ATOM 799 O SER A 55 -18.407 3.909 -2.452 1.00 0.00 O ATOM 800 CB SER A 55 -19.819 2.009 -1.100 1.00 0.00 C ATOM 801 OG SER A 55 -20.412 0.722 -1.069 1.00 0.00 O ATOM 0 H SER A 55 -17.417 0.815 0.435 1.00 0.00 H new ATOM 0 HA SER A 55 -18.000 1.039 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.137 2.580 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.165 2.551 -1.980 1.00 0.00 H new ATOM 0 HG SER A 55 -21.388 0.812 -1.053 1.00 0.00 H new ATOM 807 N GLY A 56 -16.403 3.360 -1.589 1.00 0.00 N ATOM 808 CA GLY A 56 -15.739 4.511 -2.171 1.00 0.00 C ATOM 809 C GLY A 56 -14.546 4.124 -3.021 1.00 0.00 C ATOM 810 O GLY A 56 -14.659 4.118 -4.246 1.00 0.00 O ATOM 0 H GLY A 56 -15.799 2.749 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.451 5.067 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.412 5.179 -1.374 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 7.867 -1.659 -0.880 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.763 -3.524 -1.152 1.00 0.00 ZN