USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 232 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 26 HIS HE2 : A 26 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD Set 1.1: A 3 SER OG : rot 146:sc= 1.03 USER MOD Set 1.2: A 18 THR OG1 : rot 154:sc= 0.793 USER MOD Set 1.3: A 19 THR OG1 : rot -170:sc= -0.187 USER MOD Set 1.4: A 22 ASN : amide:sc= -0.456 K(o=1.2,f=-1.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00411 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 79:sc= 1.44 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.05 (180deg=-0.305) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 88:sc= 0.216 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.630 -15.533 -0.179 1.00 0.00 N ATOM 2 CA GLY A 1 -9.989 -14.164 0.265 1.00 0.00 C ATOM 3 C GLY A 1 -11.121 -13.585 -0.557 1.00 0.00 C ATOM 4 O GLY A 1 -11.148 -13.739 -1.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.851 -15.895 0.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.456 -16.157 -0.082 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.330 -15.508 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.278 -14.187 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.116 -13.516 0.188 1.00 0.00 H new ATOM 10 N SER A 2 -12.063 -12.931 0.107 1.00 0.00 N ATOM 11 CA SER A 2 -13.201 -12.340 -0.577 1.00 0.00 C ATOM 12 C SER A 2 -12.782 -11.121 -1.404 1.00 0.00 C ATOM 13 O SER A 2 -13.158 -11.007 -2.572 1.00 0.00 O ATOM 14 CB SER A 2 -14.284 -11.972 0.442 1.00 0.00 C ATOM 15 OG SER A 2 -13.751 -11.190 1.500 1.00 0.00 O ATOM 0 H SER A 2 -12.061 -12.797 1.118 1.00 0.00 H new ATOM 0 HA SER A 2 -13.609 -13.074 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.082 -11.420 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.729 -12.881 0.847 1.00 0.00 H new ATOM 0 HG SER A 2 -14.464 -10.968 2.134 1.00 0.00 H new ATOM 20 N SER A 3 -12.002 -10.228 -0.782 1.00 0.00 N ATOM 21 CA SER A 3 -11.516 -9.002 -1.421 1.00 0.00 C ATOM 22 C SER A 3 -12.675 -8.051 -1.745 1.00 0.00 C ATOM 23 O SER A 3 -13.696 -8.453 -2.302 1.00 0.00 O ATOM 24 CB SER A 3 -10.720 -9.337 -2.692 1.00 0.00 C ATOM 25 OG SER A 3 -10.193 -8.168 -3.303 1.00 0.00 O ATOM 0 H SER A 3 -11.690 -10.338 0.183 1.00 0.00 H new ATOM 0 HA SER A 3 -10.853 -8.496 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.905 -10.017 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.365 -9.858 -3.399 1.00 0.00 H new ATOM 0 HG SER A 3 -9.326 -8.375 -3.711 1.00 0.00 H new ATOM 30 N GLY A 4 -12.545 -6.801 -1.331 1.00 0.00 N ATOM 31 CA GLY A 4 -13.632 -5.854 -1.531 1.00 0.00 C ATOM 32 C GLY A 4 -13.304 -4.473 -1.013 1.00 0.00 C ATOM 33 O GLY A 4 -12.601 -4.351 -0.010 1.00 0.00 O ATOM 0 H GLY A 4 -11.720 -6.424 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.865 -5.793 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.527 -6.223 -1.030 1.00 0.00 H new ATOM 37 N LYS A 5 -13.821 -3.437 -1.694 1.00 0.00 N ATOM 38 CA LYS A 5 -13.597 -2.045 -1.302 1.00 0.00 C ATOM 39 C LYS A 5 -12.119 -1.675 -1.487 1.00 0.00 C ATOM 40 O LYS A 5 -11.319 -2.529 -1.811 1.00 0.00 O ATOM 41 CB LYS A 5 -14.076 -1.874 0.147 1.00 0.00 C ATOM 42 CG LYS A 5 -13.996 -0.472 0.709 1.00 0.00 C ATOM 43 CD LYS A 5 -14.663 -0.420 2.065 1.00 0.00 C ATOM 44 CE LYS A 5 -14.631 0.978 2.658 1.00 0.00 C ATOM 45 NZ LYS A 5 -15.313 1.028 3.976 1.00 0.00 N ATOM 0 H LYS A 5 -14.402 -3.545 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.165 -1.363 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.111 -2.211 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.487 -2.534 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.954 -0.165 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.480 0.229 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.697 -0.752 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.164 -1.113 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.597 1.303 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.111 1.676 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.272 1.997 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.307 0.742 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.839 0.380 4.637 1.00 0.00 H new ATOM 55 N ARG A 6 -11.762 -0.407 -1.327 1.00 0.00 N ATOM 56 CA ARG A 6 -10.371 0.032 -1.513 1.00 0.00 C ATOM 57 C ARG A 6 -9.981 1.098 -0.497 1.00 0.00 C ATOM 58 O ARG A 6 -9.622 2.220 -0.863 1.00 0.00 O ATOM 59 CB ARG A 6 -10.116 0.563 -2.928 1.00 0.00 C ATOM 60 CG ARG A 6 -10.017 -0.514 -3.996 1.00 0.00 C ATOM 61 CD ARG A 6 -9.675 0.093 -5.350 1.00 0.00 C ATOM 62 NE ARG A 6 -9.393 -0.920 -6.371 1.00 0.00 N ATOM 63 CZ ARG A 6 -10.273 -1.815 -6.821 1.00 0.00 C ATOM 64 NH1 ARG A 6 -11.537 -1.774 -6.419 1.00 0.00 N ATOM 65 NH2 ARG A 6 -9.890 -2.729 -7.704 1.00 0.00 N ATOM 0 H ARG A 6 -12.409 0.339 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.752 -0.852 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.919 1.249 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.191 1.140 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.254 -1.241 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.962 -1.053 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.504 0.717 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.808 0.745 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.453 -0.942 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.840 -1.055 -5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.205 -2.461 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.926 -2.745 -8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.560 -3.415 -8.051 1.00 0.00 H new ATOM 76 N PRO A 7 -10.042 0.767 0.801 1.00 0.00 N ATOM 77 CA PRO A 7 -9.691 1.693 1.871 1.00 0.00 C ATOM 78 C PRO A 7 -8.184 1.832 2.051 1.00 0.00 C ATOM 79 O PRO A 7 -7.686 2.892 2.433 1.00 0.00 O ATOM 80 CB PRO A 7 -10.297 1.054 3.127 1.00 0.00 C ATOM 81 CG PRO A 7 -11.033 -0.161 2.666 1.00 0.00 C ATOM 82 CD PRO A 7 -10.437 -0.537 1.345 1.00 0.00 C ATOM 0 HA PRO A 7 -10.060 2.697 1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.519 0.789 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.970 1.748 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.930 -0.974 3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.099 0.044 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.584 -1.206 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.157 -1.045 0.703 1.00 0.00 H new ATOM 87 N PHE A 8 -7.508 0.695 1.985 1.00 0.00 N ATOM 88 CA PHE A 8 -6.110 0.614 2.371 1.00 0.00 C ATOM 89 C PHE A 8 -5.212 1.175 1.283 1.00 0.00 C ATOM 90 O PHE A 8 -5.228 0.699 0.149 1.00 0.00 O ATOM 91 CB PHE A 8 -5.739 -0.845 2.630 1.00 0.00 C ATOM 92 CG PHE A 8 -6.800 -1.575 3.388 1.00 0.00 C ATOM 93 CD1 PHE A 8 -7.042 -1.292 4.717 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.589 -2.511 2.748 1.00 0.00 C ATOM 95 CE1 PHE A 8 -8.054 -1.943 5.400 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.602 -3.158 3.416 1.00 0.00 C ATOM 97 CZ PHE A 8 -8.837 -2.878 4.744 1.00 0.00 C ATOM 0 H PHE A 8 -7.908 -0.187 1.666 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.967 1.204 3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.565 -1.347 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.804 -0.886 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.437 -0.557 5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.408 -2.738 1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.233 -1.723 6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.212 -3.885 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.630 -3.386 5.272 1.00 0.00 H new ATOM 106 N VAL A 9 -4.367 2.118 1.649 1.00 0.00 N ATOM 107 CA VAL A 9 -3.397 2.657 0.725 1.00 0.00 C ATOM 108 C VAL A 9 -1.999 2.378 1.258 1.00 0.00 C ATOM 109 O VAL A 9 -1.777 2.408 2.469 1.00 0.00 O ATOM 110 CB VAL A 9 -3.595 4.174 0.520 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.156 4.963 1.739 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.877 4.658 -0.726 1.00 0.00 C ATOM 0 H VAL A 9 -4.335 2.526 2.583 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.531 2.175 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.662 4.346 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.310 6.027 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.743 4.653 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.099 4.777 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.035 5.730 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.810 4.457 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.270 4.136 -1.598 1.00 0.00 H new ATOM 122 N CYS A 10 -1.083 2.042 0.374 1.00 0.00 N ATOM 123 CA CYS A 10 0.262 1.703 0.778 1.00 0.00 C ATOM 124 C CYS A 10 0.936 2.872 1.483 1.00 0.00 C ATOM 125 O CYS A 10 0.844 4.023 1.047 1.00 0.00 O ATOM 126 CB CYS A 10 1.075 1.285 -0.431 1.00 0.00 C ATOM 127 SG CYS A 10 2.804 0.869 -0.068 1.00 0.00 S ATOM 0 H CYS A 10 -1.248 1.997 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 10 0.207 0.872 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.596 0.422 -0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.055 2.092 -1.163 1.00 0.00 H new ATOM 131 N ARG A 11 1.603 2.560 2.578 1.00 0.00 N ATOM 132 CA ARG A 11 2.297 3.559 3.363 1.00 0.00 C ATOM 133 C ARG A 11 3.560 4.046 2.657 1.00 0.00 C ATOM 134 O ARG A 11 3.953 5.202 2.814 1.00 0.00 O ATOM 135 CB ARG A 11 2.631 3.022 4.756 1.00 0.00 C ATOM 136 CG ARG A 11 3.534 1.797 4.764 1.00 0.00 C ATOM 137 CD ARG A 11 3.804 1.339 6.185 1.00 0.00 C ATOM 138 NE ARG A 11 4.695 0.184 6.247 1.00 0.00 N ATOM 139 CZ ARG A 11 5.064 -0.400 7.387 1.00 0.00 C ATOM 140 NH1 ARG A 11 4.657 0.094 8.550 1.00 0.00 N ATOM 141 NH2 ARG A 11 5.857 -1.463 7.362 1.00 0.00 N ATOM 0 H ARG A 11 1.678 1.612 2.946 1.00 0.00 H new ATOM 0 HA ARG A 11 1.628 4.412 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.111 3.814 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.701 2.775 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.066 0.991 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.476 2.030 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.243 2.161 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.859 1.090 6.667 1.00 0.00 H new ATOM 0 HE ARG A 11 5.054 -0.196 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.061 0.922 8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.940 -0.354 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.185 -1.834 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.139 -1.909 8.235 1.00 0.00 H new ATOM 152 N ILE A 12 4.247 3.142 1.960 1.00 0.00 N ATOM 153 CA ILE A 12 5.517 3.488 1.335 1.00 0.00 C ATOM 154 C ILE A 12 5.303 4.238 0.029 1.00 0.00 C ATOM 155 O ILE A 12 5.743 5.382 -0.109 1.00 0.00 O ATOM 156 CB ILE A 12 6.391 2.248 1.073 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.611 1.453 2.364 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.733 2.670 0.482 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.287 2.243 3.463 1.00 0.00 C ATOM 0 H ILE A 12 3.948 2.177 1.816 1.00 0.00 H new ATOM 0 HA ILE A 12 6.040 4.134 2.040 1.00 0.00 H new ATOM 0 HB ILE A 12 5.872 1.607 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.648 1.095 2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.214 0.573 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.344 1.786 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.567 3.196 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.247 3.329 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.407 1.612 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.266 2.579 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.675 3.109 3.718 1.00 0.00 H new ATOM 170 N CYS A 13 4.499 3.670 -0.865 1.00 0.00 N ATOM 171 CA CYS A 13 4.103 4.401 -2.051 1.00 0.00 C ATOM 172 C CYS A 13 2.732 5.035 -1.815 1.00 0.00 C ATOM 173 O CYS A 13 2.531 5.695 -0.796 1.00 0.00 O ATOM 174 CB CYS A 13 4.171 3.536 -3.339 1.00 0.00 C ATOM 175 SG CYS A 13 3.030 2.109 -3.480 1.00 0.00 S ATOM 0 H CYS A 13 4.119 2.726 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 13 4.821 5.202 -2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.992 4.192 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.189 3.160 -3.435 1.00 0.00 H new ATOM 179 N LEU A 14 1.787 4.756 -2.696 1.00 0.00 N ATOM 180 CA LEU A 14 0.407 5.210 -2.543 1.00 0.00 C ATOM 181 C LEU A 14 -0.516 4.365 -3.400 1.00 0.00 C ATOM 182 O LEU A 14 -1.549 4.834 -3.880 1.00 0.00 O ATOM 183 CB LEU A 14 0.239 6.693 -2.920 1.00 0.00 C ATOM 184 CG LEU A 14 0.771 7.709 -1.907 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.633 9.123 -2.443 1.00 0.00 C ATOM 186 CD2 LEU A 14 0.026 7.573 -0.585 1.00 0.00 C ATOM 0 H LEU A 14 1.951 4.208 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 14 0.146 5.100 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.740 6.864 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.822 6.889 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 14 1.829 7.506 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.017 9.830 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.201 9.218 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.418 9.337 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.413 8.301 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.037 7.753 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.168 6.567 -0.189 1.00 0.00 H new ATOM 197 N SER A 15 -0.203 3.086 -3.487 1.00 0.00 N ATOM 198 CA SER A 15 -1.074 2.147 -4.162 1.00 0.00 C ATOM 199 C SER A 15 -2.184 1.697 -3.214 1.00 0.00 C ATOM 200 O SER A 15 -1.908 1.146 -2.148 1.00 0.00 O ATOM 201 CB SER A 15 -0.262 0.948 -4.642 1.00 0.00 C ATOM 202 OG SER A 15 0.808 1.361 -5.478 1.00 0.00 O ATOM 0 H SER A 15 0.646 2.676 -3.099 1.00 0.00 H new ATOM 0 HA SER A 15 -1.530 2.630 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.132 0.404 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.909 0.260 -5.186 1.00 0.00 H new ATOM 0 HG SER A 15 1.543 1.699 -4.925 1.00 0.00 H new ATOM 207 N ALA A 16 -3.430 1.889 -3.616 1.00 0.00 N ATOM 208 CA ALA A 16 -4.558 1.444 -2.814 1.00 0.00 C ATOM 209 C ALA A 16 -4.909 -0.002 -3.142 1.00 0.00 C ATOM 210 O ALA A 16 -5.002 -0.376 -4.311 1.00 0.00 O ATOM 211 CB ALA A 16 -5.772 2.346 -3.012 1.00 0.00 C ATOM 0 H ALA A 16 -3.685 2.349 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.265 1.504 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.597 1.985 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.520 3.365 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.068 2.333 -4.061 1.00 0.00 H new ATOM 217 N PHE A 17 -5.145 -0.800 -2.112 1.00 0.00 N ATOM 218 CA PHE A 17 -5.538 -2.187 -2.303 1.00 0.00 C ATOM 219 C PHE A 17 -6.837 -2.475 -1.583 1.00 0.00 C ATOM 220 O PHE A 17 -7.154 -1.844 -0.574 1.00 0.00 O ATOM 221 CB PHE A 17 -4.461 -3.179 -1.840 1.00 0.00 C ATOM 222 CG PHE A 17 -3.164 -3.064 -2.589 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.342 -1.962 -2.428 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.787 -4.052 -3.485 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.168 -1.850 -3.143 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.612 -3.947 -4.199 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.804 -2.844 -4.030 1.00 0.00 C ATOM 0 H PHE A 17 -5.071 -0.511 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.671 -2.326 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.271 -3.024 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.844 -4.193 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.623 -1.182 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.421 -4.915 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.534 -0.986 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.326 -4.727 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.114 -2.757 -4.591 1.00 0.00 H new ATOM 236 N THR A 18 -7.604 -3.390 -2.150 1.00 0.00 N ATOM 237 CA THR A 18 -8.908 -3.745 -1.625 1.00 0.00 C ATOM 238 C THR A 18 -8.828 -4.242 -0.185 1.00 0.00 C ATOM 239 O THR A 18 -9.765 -4.080 0.592 1.00 0.00 O ATOM 240 CB THR A 18 -9.578 -4.824 -2.501 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.734 -5.976 -2.592 1.00 0.00 O ATOM 242 CG2 THR A 18 -9.861 -4.295 -3.900 1.00 0.00 C ATOM 0 H THR A 18 -7.339 -3.907 -2.988 1.00 0.00 H new ATOM 0 HA THR A 18 -9.510 -2.837 -1.641 1.00 0.00 H new ATOM 0 HB THR A 18 -10.524 -5.097 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.281 -6.770 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.333 -5.076 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.527 -3.435 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.925 -3.995 -4.372 1.00 0.00 H new ATOM 250 N THR A 19 -7.761 -4.963 0.119 1.00 0.00 N ATOM 251 CA THR A 19 -7.628 -5.626 1.401 1.00 0.00 C ATOM 252 C THR A 19 -6.193 -5.589 1.887 1.00 0.00 C ATOM 253 O THR A 19 -5.255 -5.630 1.083 1.00 0.00 O ATOM 254 CB THR A 19 -8.066 -7.102 1.315 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.288 -7.781 0.320 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.543 -7.233 0.979 1.00 0.00 C ATOM 0 H THR A 19 -6.971 -5.103 -0.511 1.00 0.00 H new ATOM 0 HA THR A 19 -8.271 -5.090 2.099 1.00 0.00 H new ATOM 0 HB THR A 19 -7.901 -7.554 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.670 -8.668 0.155 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.812 -8.288 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.137 -6.744 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.740 -6.761 0.017 1.00 0.00 H new ATOM 264 N LYS A 20 -6.037 -5.677 3.205 1.00 0.00 N ATOM 265 CA LYS A 20 -4.726 -5.850 3.817 1.00 0.00 C ATOM 266 C LYS A 20 -4.024 -7.038 3.217 1.00 0.00 C ATOM 267 O LYS A 20 -2.807 -7.040 3.069 1.00 0.00 O ATOM 268 CB LYS A 20 -4.836 -6.042 5.324 1.00 0.00 C ATOM 269 CG LYS A 20 -5.117 -4.760 6.055 1.00 0.00 C ATOM 270 CD LYS A 20 -5.237 -4.986 7.551 1.00 0.00 C ATOM 271 CE LYS A 20 -5.423 -3.676 8.303 1.00 0.00 C ATOM 272 NZ LYS A 20 -4.260 -2.765 8.126 1.00 0.00 N ATOM 0 H LYS A 20 -6.808 -5.631 3.872 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.152 -4.944 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.630 -6.758 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.908 -6.473 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.319 -4.045 5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.040 -4.320 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.081 -5.645 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.343 -5.492 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.329 -3.181 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.564 -3.883 9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.300 -2.009 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.377 -3.303 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.289 -2.346 7.175 1.00 0.00 H new ATOM 282 N ALA A 21 -4.809 -8.043 2.873 1.00 0.00 N ATOM 283 CA ALA A 21 -4.283 -9.246 2.282 1.00 0.00 C ATOM 284 C ALA A 21 -3.456 -8.924 1.036 1.00 0.00 C ATOM 285 O ALA A 21 -2.332 -9.405 0.879 1.00 0.00 O ATOM 286 CB ALA A 21 -5.423 -10.197 1.936 1.00 0.00 C ATOM 0 H ALA A 21 -5.821 -8.043 2.997 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.627 -9.730 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.017 -11.105 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.971 -10.453 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.097 -9.715 1.228 1.00 0.00 H new ATOM 292 N ASN A 22 -3.982 -8.029 0.203 1.00 0.00 N ATOM 293 CA ASN A 22 -3.252 -7.557 -0.972 1.00 0.00 C ATOM 294 C ASN A 22 -2.083 -6.665 -0.576 1.00 0.00 C ATOM 295 O ASN A 22 -0.998 -6.760 -1.145 1.00 0.00 O ATOM 296 CB ASN A 22 -4.170 -6.802 -1.932 1.00 0.00 C ATOM 297 CG ASN A 22 -5.167 -7.705 -2.616 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.792 -8.632 -3.326 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.441 -7.440 -2.422 1.00 0.00 N ATOM 0 H ASN A 22 -4.908 -7.617 0.319 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.864 -8.440 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.705 -6.027 -1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.565 -6.298 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.155 -8.015 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.714 -6.660 -1.824 1.00 0.00 H new ATOM 305 N CYS A 23 -2.323 -5.779 0.380 1.00 0.00 N ATOM 306 CA CYS A 23 -1.300 -4.843 0.835 1.00 0.00 C ATOM 307 C CYS A 23 -0.082 -5.588 1.389 1.00 0.00 C ATOM 308 O CYS A 23 1.054 -5.170 1.176 1.00 0.00 O ATOM 309 CB CYS A 23 -1.881 -3.893 1.889 1.00 0.00 C ATOM 310 SG CYS A 23 -0.714 -2.654 2.505 1.00 0.00 S ATOM 0 H CYS A 23 -3.219 -5.687 0.858 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.970 -4.253 -0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.744 -3.381 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.244 -4.483 2.731 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.304 -1.903 3.387 1.00 0.00 H new ATOM 315 N ALA A 24 -0.330 -6.673 2.119 1.00 0.00 N ATOM 316 CA ALA A 24 0.739 -7.455 2.734 1.00 0.00 C ATOM 317 C ALA A 24 1.714 -8.000 1.694 1.00 0.00 C ATOM 318 O ALA A 24 2.927 -7.836 1.833 1.00 0.00 O ATOM 319 CB ALA A 24 0.151 -8.594 3.552 1.00 0.00 C ATOM 0 H ALA A 24 -1.268 -7.032 2.300 1.00 0.00 H new ATOM 0 HA ALA A 24 1.298 -6.790 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.957 -9.170 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.489 -8.187 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.437 -9.242 2.903 1.00 0.00 H new ATOM 325 N ARG A 25 1.188 -8.634 0.650 1.00 0.00 N ATOM 326 CA ARG A 25 2.036 -9.183 -0.406 1.00 0.00 C ATOM 327 C ARG A 25 2.731 -8.064 -1.178 1.00 0.00 C ATOM 328 O ARG A 25 3.900 -8.185 -1.546 1.00 0.00 O ATOM 329 CB ARG A 25 1.253 -10.092 -1.361 1.00 0.00 C ATOM 330 CG ARG A 25 0.104 -9.419 -2.093 1.00 0.00 C ATOM 331 CD ARG A 25 -0.537 -10.377 -3.082 1.00 0.00 C ATOM 332 NE ARG A 25 -1.665 -9.784 -3.801 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.347 -10.427 -4.755 1.00 0.00 C ATOM 334 NH1 ARG A 25 -1.955 -11.632 -5.158 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.410 -9.869 -5.318 1.00 0.00 N ATOM 0 H ARG A 25 0.188 -8.780 0.512 1.00 0.00 H new ATOM 0 HA ARG A 25 2.794 -9.798 0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.944 -10.500 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.858 -10.935 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.641 -9.078 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.468 -8.536 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.214 -10.705 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.878 -11.265 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.945 -8.833 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.133 -12.067 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.476 -12.121 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.715 -8.941 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.923 -10.368 -6.045 1.00 0.00 H new ATOM 346 N HIS A 26 2.024 -6.960 -1.367 1.00 0.00 N ATOM 347 CA HIS A 26 2.586 -5.789 -2.026 1.00 0.00 C ATOM 348 C HIS A 26 3.755 -5.214 -1.228 1.00 0.00 C ATOM 349 O HIS A 26 4.714 -4.716 -1.804 1.00 0.00 O ATOM 350 CB HIS A 26 1.516 -4.700 -2.162 1.00 0.00 C ATOM 351 CG HIS A 26 2.072 -3.374 -2.596 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.457 -3.057 -3.884 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.413 -2.305 -1.835 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.013 -1.830 -3.853 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.002 -1.341 -2.627 1.00 0.00 N ATOM 0 H HIS A 26 1.054 -6.850 -1.072 1.00 0.00 H new ATOM 0 HA HIS A 26 2.939 -6.103 -3.008 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.766 -5.025 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.008 -4.578 -1.206 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.341 -3.645 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.249 -2.221 -0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.413 -1.316 -4.715 1.00 0.00 H new ATOM 362 N LEU A 27 3.533 -5.062 0.068 1.00 0.00 N ATOM 363 CA LEU A 27 4.418 -4.278 0.924 1.00 0.00 C ATOM 364 C LEU A 27 5.885 -4.667 0.756 1.00 0.00 C ATOM 365 O LEU A 27 6.771 -3.813 0.828 1.00 0.00 O ATOM 366 CB LEU A 27 3.997 -4.427 2.387 1.00 0.00 C ATOM 367 CG LEU A 27 4.740 -3.519 3.365 1.00 0.00 C ATOM 368 CD1 LEU A 27 4.510 -2.057 3.007 1.00 0.00 C ATOM 369 CD2 LEU A 27 4.291 -3.796 4.788 1.00 0.00 C ATOM 0 H LEU A 27 2.739 -5.475 0.557 1.00 0.00 H new ATOM 0 HA LEU A 27 4.325 -3.236 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.929 -4.224 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.148 -5.463 2.690 1.00 0.00 H new ATOM 0 HG LEU A 27 5.807 -3.728 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.045 -1.421 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.876 -1.868 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.444 -1.834 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.829 -3.141 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.220 -3.610 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.500 -4.836 5.040 1.00 0.00 H new ATOM 380 N LYS A 28 6.139 -5.959 0.588 1.00 0.00 N ATOM 381 CA LYS A 28 7.502 -6.466 0.484 1.00 0.00 C ATOM 382 C LYS A 28 8.265 -5.842 -0.687 1.00 0.00 C ATOM 383 O LYS A 28 9.486 -5.769 -0.639 1.00 0.00 O ATOM 384 CB LYS A 28 7.533 -7.993 0.363 1.00 0.00 C ATOM 385 CG LYS A 28 6.910 -8.529 -0.912 1.00 0.00 C ATOM 386 CD LYS A 28 7.075 -10.034 -1.007 1.00 0.00 C ATOM 387 CE LYS A 28 6.506 -10.578 -2.303 1.00 0.00 C ATOM 388 NZ LYS A 28 6.717 -12.044 -2.426 1.00 0.00 N ATOM 0 H LYS A 28 5.417 -6.676 0.521 1.00 0.00 H new ATOM 0 HA LYS A 28 8.000 -6.177 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.568 -8.330 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.012 -8.425 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.851 -8.273 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.375 -8.053 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.132 -10.290 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.576 -10.509 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.439 -10.359 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.975 -10.071 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.314 -12.378 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.736 -12.251 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.248 -12.530 -1.635 1.00 0.00 H new ATOM 398 N VAL A 29 7.559 -5.470 -1.766 1.00 0.00 N ATOM 399 CA VAL A 29 8.212 -4.946 -2.977 1.00 0.00 C ATOM 400 C VAL A 29 9.175 -3.807 -2.644 1.00 0.00 C ATOM 401 O VAL A 29 10.178 -3.610 -3.330 1.00 0.00 O ATOM 402 CB VAL A 29 7.208 -4.447 -4.050 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.214 -5.534 -4.414 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.487 -3.181 -3.602 1.00 0.00 C ATOM 0 H VAL A 29 6.542 -5.522 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 29 8.760 -5.792 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 29 7.784 -4.199 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.523 -5.157 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.748 -6.397 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.656 -5.829 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.793 -2.863 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.935 -3.382 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.216 -2.391 -3.422 1.00 0.00 H new ATOM 414 N HIS A 30 8.850 -3.042 -1.609 1.00 0.00 N ATOM 415 CA HIS A 30 9.667 -1.903 -1.204 1.00 0.00 C ATOM 416 C HIS A 30 10.901 -2.344 -0.412 1.00 0.00 C ATOM 417 O HIS A 30 11.364 -1.632 0.482 1.00 0.00 O ATOM 418 CB HIS A 30 8.825 -0.941 -0.367 1.00 0.00 C ATOM 419 CG HIS A 30 7.667 -0.347 -1.111 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.794 0.498 -2.196 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.333 -0.486 -0.904 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.557 0.842 -2.592 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.643 0.271 -1.838 1.00 0.00 N ATOM 0 H HIS A 30 8.022 -3.190 -1.032 1.00 0.00 H new ATOM 0 HA HIS A 30 10.016 -1.400 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.449 -1.470 0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.463 -0.136 -0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.669 0.806 -2.620 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.880 -1.091 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.342 1.501 -3.420 1.00 0.00 H new ATOM 430 N THR A 31 11.474 -3.473 -0.812 1.00 0.00 N ATOM 431 CA THR A 31 12.705 -3.990 -0.235 1.00 0.00 C ATOM 432 C THR A 31 13.045 -5.334 -0.884 1.00 0.00 C ATOM 433 O THR A 31 14.165 -5.543 -1.351 1.00 0.00 O ATOM 434 CB THR A 31 12.638 -4.129 1.315 1.00 0.00 C ATOM 435 OG1 THR A 31 13.875 -4.656 1.820 1.00 0.00 O ATOM 436 CG2 THR A 31 11.484 -5.019 1.767 1.00 0.00 C ATOM 0 H THR A 31 11.092 -4.060 -1.554 1.00 0.00 H new ATOM 0 HA THR A 31 13.494 -3.267 -0.441 1.00 0.00 H new ATOM 0 HB THR A 31 12.466 -3.131 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.822 -4.738 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.480 -5.085 2.855 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.541 -4.593 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.606 -6.016 1.344 1.00 0.00 H new ATOM 444 N ASP A 32 12.039 -6.185 -1.015 1.00 0.00 N ATOM 445 CA ASP A 32 12.174 -7.442 -1.726 1.00 0.00 C ATOM 446 C ASP A 32 11.921 -7.195 -3.208 1.00 0.00 C ATOM 447 O ASP A 32 10.899 -6.626 -3.585 1.00 0.00 O ATOM 448 CB ASP A 32 11.172 -8.455 -1.159 1.00 0.00 C ATOM 449 CG ASP A 32 11.364 -9.864 -1.684 1.00 0.00 C ATOM 450 OD1 ASP A 32 11.256 -10.083 -2.905 1.00 0.00 O ATOM 451 OD2 ASP A 32 11.626 -10.767 -0.862 1.00 0.00 O ATOM 0 H ASP A 32 11.108 -6.022 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 32 13.178 -7.847 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.257 -8.467 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.161 -8.124 -1.396 1.00 0.00 H new ATOM 455 N THR A 33 12.884 -7.549 -4.034 1.00 0.00 N ATOM 456 CA THR A 33 12.797 -7.286 -5.458 1.00 0.00 C ATOM 457 C THR A 33 11.916 -8.302 -6.165 1.00 0.00 C ATOM 458 O THR A 33 12.070 -9.511 -5.980 1.00 0.00 O ATOM 459 CB THR A 33 14.190 -7.288 -6.114 1.00 0.00 C ATOM 460 OG1 THR A 33 14.877 -8.508 -5.796 1.00 0.00 O ATOM 461 CG2 THR A 33 15.009 -6.091 -5.653 1.00 0.00 C ATOM 0 H THR A 33 13.740 -8.022 -3.743 1.00 0.00 H new ATOM 0 HA THR A 33 12.350 -6.297 -5.563 1.00 0.00 H new ATOM 0 HB THR A 33 14.063 -7.218 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.649 -9.194 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.989 -6.115 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.494 -5.170 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.132 -6.129 -4.571 1.00 0.00 H new ATOM 469 N LEU A 34 11.078 -7.817 -7.063 1.00 0.00 N ATOM 470 CA LEU A 34 10.280 -8.690 -7.907 1.00 0.00 C ATOM 471 C LEU A 34 11.126 -9.228 -9.063 1.00 0.00 C ATOM 472 O LEU A 34 10.721 -9.176 -10.226 1.00 0.00 O ATOM 473 CB LEU A 34 9.056 -7.948 -8.451 1.00 0.00 C ATOM 474 CG LEU A 34 8.093 -7.404 -7.394 1.00 0.00 C ATOM 475 CD1 LEU A 34 6.937 -6.673 -8.055 1.00 0.00 C ATOM 476 CD2 LEU A 34 7.576 -8.526 -6.507 1.00 0.00 C ATOM 0 H LEU A 34 10.932 -6.821 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 34 9.934 -9.528 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.400 -7.117 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.505 -8.623 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 34 8.637 -6.697 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.261 -6.292 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.322 -5.841 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.397 -7.360 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.893 -8.116 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.050 -9.259 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.414 -9.008 -6.004 1.00 0.00 H new ATOM 487 N SER A 35 12.321 -9.691 -8.732 1.00 0.00 N ATOM 488 CA SER A 35 13.272 -10.182 -9.709 1.00 0.00 C ATOM 489 C SER A 35 14.308 -11.032 -8.988 1.00 0.00 C ATOM 490 O SER A 35 14.411 -10.896 -7.746 1.00 0.00 O ATOM 491 CB SER A 35 13.940 -8.998 -10.423 1.00 0.00 C ATOM 492 OG SER A 35 14.865 -9.424 -11.411 1.00 0.00 O ATOM 493 OXT SER A 35 15.005 -11.832 -9.647 1.00 0.00 O ATOM 0 H SER A 35 12.658 -9.736 -7.770 1.00 0.00 H new ATOM 0 HA SER A 35 12.766 -10.789 -10.460 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.174 -8.377 -10.888 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.454 -8.376 -9.690 1.00 0.00 H new ATOM 0 HG SER A 35 15.267 -8.641 -11.842 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.704 0.397 -2.052 1.00 0.00 ZN