USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 631 hydrogens (496 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 Single : A 65 CYS SG : rot 108:sc= -1.8 USER MOD Single : A 68 CYS SG : rot -179:sc= 0.219! USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 1.88 (180deg=1.06) USER MOD Single : A 75 SER OG : rot -109:sc= 0.141 USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -9.776 -9.433 -3.481 1.00 0.00 N ATOM 2 CA PRO A 62 -9.585 -8.043 -3.001 1.00 0.00 C ATOM 3 C PRO A 62 -8.704 -7.974 -1.740 1.00 0.00 C ATOM 4 O PRO A 62 -8.524 -8.983 -1.056 1.00 0.00 O ATOM 5 CB PRO A 62 -11.000 -7.513 -2.757 1.00 0.00 C ATOM 6 CG PRO A 62 -11.710 -8.737 -2.168 1.00 0.00 C ATOM 7 CD PRO A 62 -10.944 -9.942 -2.728 1.00 0.00 C ATOM 0 HA PRO A 62 -9.049 -7.435 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.005 -6.669 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.472 -7.174 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.684 -8.723 -1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.759 -8.765 -2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.620 -10.597 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.588 -10.534 -3.378 1.00 0.00 H new ATOM 15 N PHE A 63 -8.197 -6.784 -1.394 1.00 0.00 N ATOM 16 CA PHE A 63 -7.279 -6.580 -0.265 1.00 0.00 C ATOM 17 C PHE A 63 -7.546 -5.252 0.473 1.00 0.00 C ATOM 18 O PHE A 63 -7.124 -4.185 0.013 1.00 0.00 O ATOM 19 CB PHE A 63 -5.827 -6.631 -0.769 1.00 0.00 C ATOM 20 CG PHE A 63 -5.423 -7.906 -1.486 1.00 0.00 C ATOM 21 CD1 PHE A 63 -5.243 -7.913 -2.878 1.00 0.00 C ATOM 22 CD2 PHE A 63 -5.187 -9.082 -0.741 1.00 0.00 C ATOM 23 CE1 PHE A 63 -4.814 -9.088 -3.529 1.00 0.00 C ATOM 24 CE2 PHE A 63 -4.764 -10.248 -1.393 1.00 0.00 C ATOM 25 CZ PHE A 63 -4.571 -10.251 -2.789 1.00 0.00 C ATOM 0 H PHE A 63 -8.416 -5.924 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.449 -7.382 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.666 -5.790 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.161 -6.488 0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.433 -7.018 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.332 -9.083 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.673 -9.091 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.585 -11.148 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.236 -11.149 -3.287 1.00 0.00 H new ATOM 35 N ALA A 64 -8.003 -5.341 1.726 1.00 0.00 N ATOM 36 CA ALA A 64 -7.966 -4.241 2.697 1.00 0.00 C ATOM 37 C ALA A 64 -6.568 -4.035 3.313 1.00 0.00 C ATOM 38 O ALA A 64 -5.687 -4.892 3.152 1.00 0.00 O ATOM 39 CB ALA A 64 -9.046 -4.482 3.758 1.00 0.00 C ATOM 0 H ALA A 64 -8.417 -6.195 2.101 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.180 -3.307 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.029 -3.671 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.025 -4.519 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.854 -5.428 4.264 1.00 0.00 H new ATOM 45 N CYS A 65 -6.290 -2.802 3.746 1.00 0.00 N ATOM 46 CA CYS A 65 -4.995 -2.379 4.285 1.00 0.00 C ATOM 47 C CYS A 65 -5.015 -2.323 5.818 1.00 0.00 C ATOM 48 O CYS A 65 -5.518 -1.352 6.381 1.00 0.00 O ATOM 49 CB CYS A 65 -4.652 -0.997 3.710 1.00 0.00 C ATOM 50 SG CYS A 65 -4.580 -1.088 1.916 1.00 0.00 S ATOM 0 H CYS A 65 -6.979 -2.050 3.731 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.237 -3.107 3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.402 -0.268 4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.695 -0.655 4.105 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.611 -0.479 1.409 1.00 0.00 H new ATOM 55 N ASP A 66 -4.048 -3.021 6.410 1.00 0.00 N ATOM 56 CA ASP A 66 -3.663 -2.869 7.824 1.00 0.00 C ATOM 57 C ASP A 66 -2.888 -1.565 8.122 1.00 0.00 C ATOM 58 O ASP A 66 -2.386 -1.373 9.227 1.00 0.00 O ATOM 59 CB ASP A 66 -2.836 -4.105 8.228 1.00 0.00 C ATOM 60 CG ASP A 66 -3.152 -4.626 9.632 1.00 0.00 C ATOM 61 OD1 ASP A 66 -2.453 -5.621 9.954 1.00 0.00 O ATOM 62 OD2 ASP A 66 -4.361 -4.625 9.941 1.00 0.00 O ATOM 0 H ASP A 66 -3.496 -3.723 5.917 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.575 -2.797 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.014 -4.902 7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.776 -3.856 8.173 1.00 0.00 H new ATOM 67 N ILE A 67 -2.675 -0.737 7.090 1.00 0.00 N ATOM 68 CA ILE A 67 -1.921 0.527 7.117 1.00 0.00 C ATOM 69 C ILE A 67 -2.842 1.739 6.882 1.00 0.00 C ATOM 70 O ILE A 67 -2.803 2.694 7.660 1.00 0.00 O ATOM 71 CB ILE A 67 -0.770 0.488 6.075 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.122 -0.775 6.152 1.00 0.00 C ATOM 73 CG2 ILE A 67 0.096 1.758 6.158 1.00 0.00 C ATOM 74 CD1 ILE A 67 0.877 -0.985 7.471 1.00 0.00 C ATOM 0 H ILE A 67 -3.044 -0.941 6.161 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.486 0.641 8.110 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.267 0.445 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.504 -1.649 5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.850 -0.731 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.894 1.703 5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.523 2.634 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.531 1.837 7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.468 -1.899 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.537 -0.137 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.162 -1.069 8.290 1.00 0.00 H new ATOM 86 N CYS A 68 -3.789 1.625 5.936 1.00 0.00 N ATOM 87 CA CYS A 68 -4.665 2.713 5.480 1.00 0.00 C ATOM 88 C CYS A 68 -6.144 2.570 5.917 1.00 0.00 C ATOM 89 O CYS A 68 -6.956 3.439 5.582 1.00 0.00 O ATOM 90 CB CYS A 68 -4.569 2.786 3.941 1.00 0.00 C ATOM 91 SG CYS A 68 -2.861 3.060 3.386 1.00 0.00 S ATOM 0 H CYS A 68 -3.970 0.745 5.453 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.318 3.632 5.953 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.948 1.860 3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.204 3.592 3.575 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.833 3.136 2.089 1.00 0.00 H new ATOM 96 N GLY A 69 -6.577 1.352 6.269 1.00 0.00 N ATOM 97 CA GLY A 69 -7.980 0.964 6.505 1.00 0.00 C ATOM 98 C GLY A 69 -8.899 0.931 5.265 1.00 0.00 C ATOM 99 O GLY A 69 -9.937 0.267 5.280 1.00 0.00 O ATOM 0 H GLY A 69 -5.932 0.573 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.989 -0.025 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.409 1.656 7.230 1.00 0.00 H new ATOM 103 N ARG A 70 -8.478 1.537 4.148 1.00 0.00 N ATOM 104 CA ARG A 70 -9.100 1.433 2.818 1.00 0.00 C ATOM 105 C ARG A 70 -9.006 0.013 2.244 1.00 0.00 C ATOM 106 O ARG A 70 -8.234 -0.824 2.712 1.00 0.00 O ATOM 107 CB ARG A 70 -8.462 2.463 1.867 1.00 0.00 C ATOM 108 CG ARG A 70 -8.948 3.890 2.132 1.00 0.00 C ATOM 109 CD ARG A 70 -8.350 4.852 1.102 1.00 0.00 C ATOM 110 NE ARG A 70 -8.963 6.188 1.201 1.00 0.00 N ATOM 111 CZ ARG A 70 -9.604 6.839 0.245 1.00 0.00 C ATOM 112 NH1 ARG A 70 -9.973 6.280 -0.869 1.00 0.00 N ATOM 113 NH2 ARG A 70 -9.940 8.083 0.413 1.00 0.00 N ATOM 0 H ARG A 70 -7.657 2.142 4.144 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.162 1.653 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.378 2.427 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.691 2.191 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.036 3.926 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.662 4.199 3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.274 4.931 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.500 4.454 0.099 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.885 6.660 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.770 5.295 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.465 6.827 -1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.709 8.560 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.434 8.582 -0.327 1.00 0.00 H new ATOM 127 N LYS A 71 -9.746 -0.241 1.157 1.00 0.00 N ATOM 128 CA LYS A 71 -9.829 -1.553 0.495 1.00 0.00 C ATOM 129 C LYS A 71 -9.702 -1.460 -1.025 1.00 0.00 C ATOM 130 O LYS A 71 -10.414 -0.694 -1.669 1.00 0.00 O ATOM 131 CB LYS A 71 -11.084 -2.295 0.987 1.00 0.00 C ATOM 132 CG LYS A 71 -12.411 -1.609 0.608 1.00 0.00 C ATOM 133 CD LYS A 71 -13.565 -2.062 1.512 1.00 0.00 C ATOM 134 CE LYS A 71 -13.552 -1.278 2.833 1.00 0.00 C ATOM 135 NZ LYS A 71 -14.450 -1.894 3.834 1.00 0.00 N ATOM 0 H LYS A 71 -10.316 0.473 0.703 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.966 -2.153 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.080 -3.305 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.034 -2.391 2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.295 -0.528 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.653 -1.834 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.516 -1.910 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.479 -3.129 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.536 -1.242 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.860 -0.249 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.755 -1.172 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.283 -2.291 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.944 -2.653 4.334 1.00 0.00 H new ATOM 149 N PHE A 72 -8.822 -2.287 -1.589 1.00 0.00 N ATOM 150 CA PHE A 72 -8.343 -2.187 -2.972 1.00 0.00 C ATOM 151 C PHE A 72 -8.500 -3.511 -3.742 1.00 0.00 C ATOM 152 O PHE A 72 -8.515 -4.585 -3.141 1.00 0.00 O ATOM 153 CB PHE A 72 -6.875 -1.722 -2.959 1.00 0.00 C ATOM 154 CG PHE A 72 -6.646 -0.378 -2.287 1.00 0.00 C ATOM 155 CD1 PHE A 72 -6.666 0.806 -3.048 1.00 0.00 C ATOM 156 CD2 PHE A 72 -6.437 -0.302 -0.896 1.00 0.00 C ATOM 157 CE1 PHE A 72 -6.482 2.056 -2.424 1.00 0.00 C ATOM 158 CE2 PHE A 72 -6.252 0.943 -0.274 1.00 0.00 C ATOM 159 CZ PHE A 72 -6.274 2.127 -1.037 1.00 0.00 C ATOM 0 H PHE A 72 -8.409 -3.070 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.956 -1.456 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.273 -2.475 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.516 -1.666 -3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.823 0.756 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.419 -1.206 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.501 2.961 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.092 0.993 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.132 3.084 -0.558 1.00 0.00 H new ATOM 169 N ALA A 73 -8.462 -3.423 -5.071 1.00 0.00 N ATOM 170 CA ALA A 73 -8.672 -4.529 -6.004 1.00 0.00 C ATOM 171 C ALA A 73 -7.593 -5.639 -5.922 1.00 0.00 C ATOM 172 O ALA A 73 -7.788 -6.654 -5.249 1.00 0.00 O ATOM 173 CB ALA A 73 -8.818 -3.928 -7.409 1.00 0.00 C ATOM 0 H ALA A 73 -8.276 -2.540 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.584 -5.058 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.976 -4.728 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.670 -3.248 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.911 -3.380 -7.667 1.00 0.00 H new ATOM 179 N ARG A 74 -6.518 -5.513 -6.706 1.00 0.00 N ATOM 180 CA ARG A 74 -5.455 -6.540 -6.849 1.00 0.00 C ATOM 181 C ARG A 74 -4.133 -5.910 -7.303 1.00 0.00 C ATOM 182 O ARG A 74 -3.220 -5.866 -6.489 1.00 0.00 O ATOM 183 CB ARG A 74 -5.949 -7.663 -7.782 1.00 0.00 C ATOM 184 CG ARG A 74 -4.920 -8.780 -8.027 1.00 0.00 C ATOM 185 CD ARG A 74 -5.642 -10.013 -8.589 1.00 0.00 C ATOM 186 NE ARG A 74 -4.730 -11.037 -9.130 1.00 0.00 N ATOM 187 CZ ARG A 74 -4.214 -12.090 -8.514 1.00 0.00 C ATOM 188 NH1 ARG A 74 -3.588 -13.002 -9.196 1.00 0.00 N ATOM 189 NH2 ARG A 74 -4.342 -12.293 -7.238 1.00 0.00 N ATOM 0 H ARG A 74 -6.349 -4.683 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.245 -6.991 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.851 -8.103 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.229 -7.226 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.156 -8.441 -8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.411 -9.033 -7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.248 -10.459 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.326 -9.696 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.461 -10.919 -10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.493 -12.908 -10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.191 -13.812 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.858 -11.626 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.926 -13.120 -6.809 1.00 0.00 H new ATOM 203 N SER A 75 -4.196 -5.137 -8.388 1.00 0.00 N ATOM 204 CA SER A 75 -3.214 -4.100 -8.757 1.00 0.00 C ATOM 205 C SER A 75 -1.756 -4.573 -8.671 1.00 0.00 C ATOM 206 O SER A 75 -1.006 -4.189 -7.778 1.00 0.00 O ATOM 207 CB SER A 75 -3.454 -2.819 -7.950 1.00 0.00 C ATOM 208 OG SER A 75 -4.754 -2.314 -8.198 1.00 0.00 O ATOM 0 H SER A 75 -4.957 -5.214 -9.062 1.00 0.00 H new ATOM 0 HA SER A 75 -3.375 -3.878 -9.812 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.334 -3.024 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.709 -2.069 -8.216 1.00 0.00 H new ATOM 0 HG SER A 75 -4.690 -1.496 -8.734 1.00 0.00 H new HETATM 214 N OUD A 76 -1.368 -5.488 -9.577 1.00 0.00 N HETATM 215 CA OUD A 76 0.010 -5.977 -9.706 1.00 0.00 C HETATM 216 C OUD A 76 1.138 -2.810 -9.715 1.00 0.00 C HETATM 217 O OUD A 76 2.350 -2.677 -9.796 1.00 0.00 O HETATM 218 CB OUD A 76 -0.046 -7.448 -10.151 1.00 0.00 C HETATM 219 CG OUD A 76 1.286 -8.180 -10.151 1.00 0.00 C HETATM 220 OD1 OUD A 76 2.113 -7.916 -9.315 1.00 0.00 O HETATM 221 OD2 OUD A 76 1.367 -9.151 -10.866 1.00 0.00 O HETATM 222 CM OUD A 76 0.841 -5.118 -10.695 1.00 0.00 C HETATM 223 N2 OUD A 76 0.520 -3.681 -10.629 1.00 0.00 N HETATM 231 N OUE A 77 0.339 -1.687 -9.431 1.00 0.00 N HETATM 232 CA OUE A 77 0.742 -0.593 -8.541 1.00 0.00 C HETATM 233 C OUE A 77 -0.923 -1.711 -5.334 1.00 0.00 C HETATM 234 O OUE A 77 -0.507 -0.895 -4.521 1.00 0.00 O HETATM 235 CB OUE A 77 0.947 0.694 -9.359 1.00 0.00 C HETATM 236 CG OUE A 77 1.323 1.929 -8.509 1.00 0.00 C HETATM 237 CD OUE A 77 1.165 3.192 -9.314 1.00 0.00 C HETATM 238 OE1 OUE A 77 0.045 3.593 -9.501 1.00 0.00 O HETATM 239 OE2 OUE A 77 2.177 3.825 -9.550 1.00 0.00 O HETATM 240 CM OUE A 77 -0.284 -0.381 -7.402 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.545 -1.617 -6.682 1.00 0.00 N HETATM 251 N OUK A 78 -1.091 -3.056 -4.952 1.00 0.00 N HETATM 252 CA OUK A 78 -0.141 -3.728 -4.059 1.00 0.00 C HETATM 253 C OUK A 78 2.740 -3.315 -5.736 1.00 0.00 C HETATM 254 O OUK A 78 3.491 -3.650 -4.827 1.00 0.00 O HETATM 255 CB OUK A 78 -0.923 -4.517 -2.977 1.00 0.00 C HETATM 256 CG OUK A 78 -1.622 -3.570 -1.969 1.00 0.00 C HETATM 257 CD OUK A 78 -2.645 -4.311 -1.077 1.00 0.00 C HETATM 258 CE OUK A 78 -3.217 -3.332 -0.029 1.00 0.00 C HETATM 259 NZ OUK A 78 -4.355 -3.842 0.820 1.00 0.00 N HETATM 260 CM OUK A 78 0.779 -4.682 -4.865 1.00 0.00 C HETATM 261 N2 OUK A 78 1.532 -4.014 -5.942 1.00 0.00 N HETATM 278 N OUR A 79 3.270 -2.725 -6.903 1.00 0.00 N HETATM 279 CA OUR A 79 4.437 -1.823 -6.895 1.00 0.00 C HETATM 280 C OUR A 79 2.937 1.108 -5.078 1.00 0.00 C HETATM 281 O OUR A 79 3.940 1.461 -4.467 1.00 0.00 O HETATM 282 CB OUR A 79 5.270 -1.936 -8.190 1.00 0.00 C HETATM 283 CG OUR A 79 5.800 -3.353 -8.462 1.00 0.00 C HETATM 284 CD OUR A 79 6.565 -3.353 -9.796 1.00 0.00 C HETATM 285 NE OUR A 79 7.170 -4.662 -10.025 1.00 0.00 N HETATM 286 CZ OUR A 79 8.428 -4.948 -10.385 1.00 0.00 C HETATM 287 NH1 OUR A 79 9.372 -4.005 -10.447 1.00 0.00 N HETATM 288 NH2 OUR A 79 8.749 -6.228 -10.580 1.00 0.00 N HETATM 289 CM OUR A 79 4.043 -0.338 -6.763 1.00 0.00 C HETATM 290 N2 OUR A 79 2.994 -0.102 -5.774 1.00 0.00 N HETATM 307 N OUH A 80 1.662 1.293 -4.512 1.00 0.00 N HETATM 308 CA OUH A 80 1.473 1.759 -3.137 1.00 0.00 C HETATM 309 C OUH A 80 3.372 -0.878 -1.633 1.00 0.00 C HETATM 310 O OUH A 80 3.206 -0.938 -0.422 1.00 0.00 O HETATM 311 CB OUH A 80 0.293 2.765 -3.079 1.00 0.00 C HETATM 312 CG OUH A 80 -1.000 2.222 -2.529 1.00 0.00 C HETATM 313 CD2 OUH A 80 -1.267 2.175 -1.194 1.00 0.00 C HETATM 314 ND1 OUH A 80 -2.150 1.811 -3.154 1.00 0.00 N HETATM 315 CE1 OUH A 80 -3.008 1.592 -2.105 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.492 1.816 -0.938 1.00 0.00 N HETATM 317 CM OUH A 80 1.366 0.571 -2.137 1.00 0.00 C HETATM 318 N2 OUH A 80 2.284 -0.532 -2.448 1.00 0.00 N HETATM 329 N OUK A 81 4.225 -1.811 -2.249 1.00 0.00 N HETATM 330 CA OUK A 81 5.539 -2.147 -1.680 1.00 0.00 C HETATM 331 C OUK A 81 6.607 0.968 -1.949 1.00 0.00 C HETATM 332 O OUK A 81 7.326 0.853 -0.961 1.00 0.00 O HETATM 333 CB OUK A 81 5.755 -3.677 -1.626 1.00 0.00 C HETATM 334 CG OUK A 81 4.661 -4.415 -0.817 1.00 0.00 C HETATM 335 CD OUK A 81 4.978 -5.923 -0.740 1.00 0.00 C HETATM 336 CE OUK A 81 3.941 -6.677 0.113 1.00 0.00 C HETATM 337 NZ OUK A 81 4.339 -8.099 0.411 1.00 0.00 N HETATM 338 CM OUK A 81 6.689 -1.507 -2.494 1.00 0.00 C HETATM 339 N2 OUK A 81 6.456 -0.101 -2.846 1.00 0.00 N HETATM 356 N OUI A 82 6.443 2.212 -2.582 1.00 0.00 N HETATM 357 CA OUI A 82 6.350 3.489 -1.857 1.00 0.00 C HETATM 358 C OUI A 82 3.699 2.963 0.405 1.00 0.00 C HETATM 359 O OUI A 82 2.863 3.829 0.623 1.00 0.00 O HETATM 360 CB OUI A 82 7.115 4.626 -2.601 1.00 0.00 C HETATM 361 CG1 OUI A 82 6.627 4.810 -4.069 1.00 0.00 C HETATM 362 CG2 OUI A 82 8.636 4.350 -2.544 1.00 0.00 C HETATM 363 CD1 OUI A 82 7.274 6.014 -4.782 1.00 0.00 C HETATM 364 CM OUI A 82 4.874 3.875 -1.594 1.00 0.00 C HETATM 365 N2 OUI A 82 4.142 2.804 -0.915 1.00 0.00 N HETATM 380 N OUH A 83 3.529 1.723 1.041 1.00 0.00 N HETATM 381 CA OUH A 83 3.533 1.613 2.504 1.00 0.00 C HETATM 382 C OUH A 83 7.083 0.231 2.934 1.00 0.00 C HETATM 383 O OUH A 83 7.426 0.624 4.040 1.00 0.00 O HETATM 384 CB OUH A 83 2.777 0.348 2.976 1.00 0.00 C HETATM 385 CG OUH A 83 1.432 0.170 2.317 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.479 1.144 2.119 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.950 -0.967 1.714 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.235 -0.559 1.181 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.517 0.676 1.432 1.00 0.00 N HETATM 390 CM OUH A 83 4.978 1.629 3.056 1.00 0.00 C HETATM 391 N2 OUH A 83 5.851 0.644 2.394 1.00 0.00 N ATOM 402 N ARG A 84 8.062 -0.012 1.948 1.00 0.00 N ATOM 403 CA ARG A 84 9.515 0.094 2.204 1.00 0.00 C ATOM 404 C ARG A 84 9.947 1.519 2.580 1.00 0.00 C ATOM 405 O ARG A 84 10.994 1.711 3.206 1.00 0.00 O ATOM 406 CB ARG A 84 10.244 -0.391 0.936 1.00 0.00 C ATOM 407 CG ARG A 84 11.775 -0.427 1.078 1.00 0.00 C ATOM 408 CD ARG A 84 12.449 -0.894 -0.214 1.00 0.00 C ATOM 409 NE ARG A 84 13.913 -0.898 -0.051 1.00 0.00 N ATOM 410 CZ ARG A 84 14.686 -1.949 0.147 1.00 0.00 C ATOM 411 NH1 ARG A 84 15.947 -1.818 0.422 1.00 0.00 N ATOM 412 NH2 ARG A 84 14.270 -3.171 -0.003 1.00 0.00 N ATOM 0 H ARG A 84 7.834 -0.278 0.990 1.00 0.00 H new ATOM 0 HA ARG A 84 9.776 -0.525 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.888 -1.390 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.980 0.262 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.140 0.566 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.050 -1.095 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.102 -1.894 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.169 -0.236 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 84 14.379 0.008 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.360 -0.888 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.525 -2.645 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.307 -3.351 -0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.907 -3.950 0.162 1.00 0.00 H new ATOM 426 N LYS A 85 9.227 2.507 2.052 1.00 0.00 N ATOM 427 CA LYS A 85 9.555 3.933 2.042 1.00 0.00 C ATOM 428 C LYS A 85 8.286 4.772 1.929 1.00 0.00 C ATOM 429 O LYS A 85 7.251 4.269 1.494 1.00 0.00 O ATOM 430 CB LYS A 85 10.497 4.244 0.859 1.00 0.00 C ATOM 431 CG LYS A 85 11.956 4.376 1.300 1.00 0.00 C ATOM 432 CD LYS A 85 12.785 5.133 0.259 1.00 0.00 C ATOM 433 CE LYS A 85 12.491 6.642 0.280 1.00 0.00 C ATOM 434 NZ LYS A 85 13.431 7.381 -0.592 1.00 0.00 N ATOM 0 H LYS A 85 8.338 2.320 1.588 1.00 0.00 H new ATOM 0 HA LYS A 85 10.055 4.183 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.415 3.453 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.180 5.169 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.004 4.898 2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.382 3.385 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.845 4.967 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.573 4.735 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.468 6.821 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.567 7.016 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.128 8.373 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.387 7.340 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.439 6.950 -1.538 1.00 0.00 H new ATOM 448 N ASP A 86 8.512 6.072 2.066 1.00 0.00 N ATOM 449 CA ASP A 86 7.592 7.181 1.834 1.00 0.00 C ATOM 450 C ASP A 86 8.358 8.373 1.228 1.00 0.00 C ATOM 451 O ASP A 86 9.533 8.553 1.658 1.00 0.00 O ATOM 452 CB ASP A 86 6.960 7.501 3.202 1.00 0.00 C ATOM 453 CG ASP A 86 5.708 8.384 3.200 1.00 0.00 C ATOM 454 OD1 ASP A 86 5.248 8.574 4.362 1.00 0.00 O ATOM 455 OD2 ASP A 86 4.907 8.293 2.250 1.00 0.00 O ATOM 456 OXT ASP A 86 8.049 8.772 0.091 1.00 0.00 O ATOM 0 H ASP A 86 9.426 6.409 2.370 1.00 0.00 H new ATOM 0 HA ASP A 86 6.807 6.939 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.709 6.558 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.716 7.986 3.819 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.650 1.231 1.122 1.00 0.00 ZN HETATM 463 O HOH A 201 -2.266 3.596 0.904 1.00 0.00 O HETATM 466 O HOH A 202 0.032 -5.758 10.601 1.00 0.00 O HETATM 469 O HOH A 203 -3.472 -7.661 8.733 1.00 0.00 O HETATM 472 O HOH A 204 -6.209 -4.345 11.731 1.00 0.00 O HETATM 475 O HOH A 205 2.766 7.284 3.370 1.00 0.00 O HETATM 478 O HOH A 206 4.497 2.825 -10.240 1.00 0.00 O HETATM 481 O HOH A 207 -5.929 -6.143 8.491 1.00 0.00 O HETATM 484 O HOH A 208 5.460 11.179 4.734 1.00 0.00 O HETATM 487 O HOH A 209 2.725 9.534 1.423 1.00 0.00 O HETATM 490 O HOH A 210 3.491 -9.848 -12.292 1.00 0.00 O HETATM 493 O HOH A 211 -0.687 -9.906 -12.370 1.00 0.00 O HETATM 496 O HOH A 212 1.897 -8.092 -6.667 1.00 0.00 O HETATM 499 O HOH A 213 -0.601 -0.328 10.904 1.00 0.00 O HETATM 502 O HOH A 214 -2.116 2.303 -10.390 1.00 0.00 O HETATM 505 O HOH A 215 -1.721 5.282 -8.418 1.00 0.00 O HETATM 508 O HOH A 216 5.793 6.799 6.286 1.00 0.00 O HETATM 511 O HOH A 217 0.775 -10.769 -8.783 1.00 0.00 O HETATM 514 O HOH A 218 4.466 -7.899 -10.653 1.00 0.00 O HETATM 517 O HOH A 219 -9.287 4.826 5.547 1.00 0.00 O HETATM 520 O HOH A 220 -3.185 5.330 8.202 1.00 0.00 O HETATM 523 O HOH A 221 13.438 2.763 3.907 1.00 0.00 O HETATM 526 O HOH A 222 -7.823 -11.361 -2.299 1.00 0.00 O HETATM 529 O HOH A 223 -3.335 -6.092 2.228 1.00 0.00 O HETATM 532 O HOH A 224 13.792 6.436 -3.208 1.00 0.00 O HETATM 535 O HOH A 225 -11.326 -9.565 -5.818 1.00 0.00 O HETATM 538 O HOH A 226 -5.244 3.496 8.836 1.00 0.00 O HETATM 541 O HOH A 227 -11.354 7.815 -2.830 1.00 0.00 O HETATM 544 O HOH A 228 -12.800 -3.681 5.315 1.00 0.00 O HETATM 547 O HOH A 229 18.012 0.025 -0.264 1.00 0.00 O HETATM 550 O HOH A 230 16.718 -4.623 -0.219 1.00 0.00 O HETATM 553 O HOH A 231 4.033 -9.718 2.743 1.00 0.00 O HETATM 556 O HOH A 232 -10.597 3.502 -1.091 1.00 0.00 O HETATM 559 O HOH A 233 -2.428 -13.974 -5.941 1.00 0.00 O HETATM 562 O HOH A 234 -9.612 10.124 2.403 1.00 0.00 O HETATM 565 O HOH A 235 -8.994 7.025 3.975 1.00 0.00 O HETATM 568 O HOH A 236 -4.262 -11.632 -11.939 1.00 0.00 O HETATM 571 O HOH A 237 6.666 -7.368 2.003 1.00 0.00 O HETATM 574 O HOH A 238 -17.045 -2.808 2.855 1.00 0.00 O HETATM 577 O HOH A 239 -11.164 10.340 -0.982 1.00 0.00 O HETATM 580 O HOH A 240 -3.934 -15.908 -8.948 1.00 0.00 O HETATM 583 O HOH A 241 6.360 -7.270 -8.912 1.00 0.00 O HETATM 586 O HOH A 242 11.804 -5.705 -10.306 1.00 0.00 O HETATM 589 O HOH A 243 1.374 4.685 -6.822 1.00 0.00 O HETATM 592 O HOH A 244 -11.603 -3.106 -2.974 1.00 0.00 O HETATM 595 O HOH A 245 -16.974 -2.000 5.445 1.00 0.00 O HETATM 598 O HOH A 246 2.382 -10.199 -0.474 1.00 0.00 O HETATM 601 O HOH A 247 2.200 -2.816 -13.030 1.00 0.00 O HETATM 604 O HOH A 248 -2.512 -13.732 -11.963 1.00 0.00 O HETATM 607 O HOH A 249 14.645 1.914 -1.014 1.00 0.00 O HETATM 610 O HOH A 250 0.011 4.906 0.326 1.00 0.00 O HETATM 613 O HOH A 251 11.032 -8.244 -10.983 1.00 0.00 O HETATM 616 O HOH A 252 9.734 0.145 6.036 1.00 0.00 O HETATM 619 O HOH A 253 -1.909 -9.990 -8.427 1.00 0.00 O HETATM 622 O HOH A 254 -3.561 0.073 -9.765 1.00 0.00 O HETATM 625 O HOH A 255 15.969 -0.147 -2.247 1.00 0.00 O HETATM 628 O HOH A 256 -2.155 -1.640 -11.283 1.00 0.00 O HETATM 631 O HOH A 257 -2.379 -10.427 -5.693 1.00 0.00 O HETATM 634 O HOH A 258 -1.046 -6.941 7.451 1.00 0.00 O HETATM 637 O HOH A 259 19.064 -2.266 0.757 1.00 0.00 O HETATM 640 O HOH A 260 -3.510 -6.480 -11.701 1.00 0.00 O HETATM 643 O HOH A 261 4.352 -7.007 3.405 1.00 0.00 O HETATM 646 O HOH A 262 -2.228 -4.080 -12.324 1.00 0.00 O HETATM 649 O HOH A 263 8.464 -6.156 -13.810 1.00 0.00 O HETATM 652 O HOH A 264 13.738 -1.981 -3.137 1.00 0.00 O HETATM 655 O HOH A 265 -15.492 -4.978 3.247 1.00 0.00 O HETATM 658 O HOH A 266 9.138 -0.848 -9.471 1.00 0.00 O HETATM 661 O HOH A 267 8.936 -2.195 4.936 1.00 0.00 O HETATM 664 O HOH A 268 10.675 -6.066 -7.851 1.00 0.00 O HETATM 667 O HOH A 269 8.082 -5.991 -7.088 1.00 0.00 O HETATM 670 O HOH A 270 -12.897 6.717 1.204 1.00 0.00 O HETATM 673 O HOH A 271 6.530 -8.790 -2.036 1.00 0.00 O HETATM 676 O HOH A 272 4.775 -10.888 -1.408 1.00 0.00 O HETATM 679 O HOH A 273 12.308 -3.589 -12.091 1.00 0.00 O HETATM 682 O HOH A 274 -0.036 -4.031 -13.961 1.00 0.00 O HETATM 685 O HOH A 275 -6.573 -12.837 -11.364 1.00 0.00 O HETATM 688 O HOH A 276 -0.730 -12.133 -10.845 1.00 0.00 O HETATM 691 O HOH A 277 0.807 5.510 2.784 1.00 0.00 O HETATM 694 O HOH A 278 6.130 -2.416 5.107 1.00 0.00 O HETATM 697 O HOH A 279 17.967 -2.548 3.160 1.00 0.00 O HETATM 700 O HOH A 280 -13.300 9.273 0.238 1.00 0.00 O HETATM 703 O HOH A 281 10.214 11.729 3.143 1.00 0.00 O HETATM 706 O HOH A 282 -5.007 1.000 -6.888 1.00 0.00 O HETATM 709 O HOH A 283 -5.557 -9.276 -12.130 1.00 0.00 O HETATM 712 O HOH A 284 -6.638 7.439 -1.475 1.00 0.00 O HETATM 715 O HOH A 285 5.749 -6.300 -5.740 1.00 0.00 O HETATM 718 O HOH A 286 -12.009 -2.857 -5.662 1.00 0.00 O HETATM 721 O HOH A 287 5.808 -3.008 2.441 1.00 0.00 O HETATM 724 O HOH A 288 -8.014 -4.903 9.824 1.00 0.00 O HETATM 727 O HOH A 289 4.155 4.705 -6.580 1.00 0.00 O HETATM 730 O HOH A 290 2.701 6.940 -7.645 1.00 0.00 O HETATM 733 O HOH A 291 -9.021 11.653 0.219 1.00 0.00 O HETATM 736 O HOH A 292 -4.338 -13.825 -3.878 1.00 0.00 O HETATM 739 O HOH A 293 -12.961 4.255 0.086 1.00 0.00 O HETATM 742 O HOH A 294 -2.603 5.427 -4.112 1.00 0.00 O HETATM 745 O HOH A 295 -12.712 2.032 1.669 1.00 0.00 O HETATM 748 O HOH A 296 -6.104 0.261 -10.617 1.00 0.00 O HETATM 751 O HOH A 297 -6.798 -14.087 -4.982 1.00 0.00 O HETATM 754 O HOH A 298 -5.967 -15.485 -10.801 1.00 0.00 O HETATM 757 O HOH A 299 8.366 2.071 7.483 1.00 0.00 O HETATM 760 O HOH A 300 6.422 -10.866 2.136 1.00 0.00 O HETATM 763 O HOH A 301 15.648 -3.765 3.753 1.00 0.00 O HETATM 766 O HOH A 302 5.054 -0.657 6.822 1.00 0.00 O HETATM 769 O HOH A 303 15.478 -4.121 -3.605 1.00 0.00 O HETATM 772 O HOH A 304 -12.253 10.496 2.473 1.00 0.00 O HETATM 775 O HOH A 305 -10.321 3.412 7.648 1.00 0.00 O HETATM 778 O HOH A 306 -8.220 -0.851 -9.418 1.00 0.00 O HETATM 781 O HOH A 307 -7.697 -3.192 -10.698 1.00 0.00 O HETATM 784 O HOH A 308 -0.435 -12.207 -6.553 1.00 0.00 O HETATM 787 O HOH A 309 4.531 7.025 -9.581 1.00 0.00 O HETATM 790 O HOH A 310 14.350 0.336 4.898 1.00 0.00 O HETATM 793 O HOH A 311 -13.169 2.580 4.311 1.00 0.00 O HETATM 796 O HOH A 312 6.044 3.513 -8.068 1.00 0.00 O HETATM 799 O HOH A 313 -12.840 0.817 -4.707 1.00 0.00 O HETATM 802 O HOH A 314 -8.702 -2.424 8.870 1.00 0.00 O HETATM 805 O HOH A 315 7.623 -10.655 -0.290 1.00 0.00 O HETATM 808 O HOH A 316 -7.892 -6.249 6.505 1.00 0.00 O HETATM 811 O HOH A 317 -14.003 -1.485 -3.792 1.00 0.00 O HETATM 814 O HOH A 318 2.250 -11.517 1.842 1.00 0.00 O HETATM 817 O HOH A 319 -8.357 -13.757 -7.225 1.00 0.00 O HETATM 820 O HOH A 320 13.493 -5.950 -3.190 1.00 0.00 O HETATM 823 O HOH A 321 -17.589 0.574 5.511 1.00 0.00 O HETATM 826 O HOH A 322 -14.931 0.923 0.576 1.00 0.00 O HETATM 829 O HOH A 323 0.035 -8.693 0.026 1.00 0.00 O HETATM 832 O HOH A 324 -11.998 -5.392 -6.708 1.00 0.00 O HETATM 835 O HOH A 325 -8.893 -13.700 -3.172 1.00 0.00 O HETATM 838 O HOH A 326 -4.527 5.533 -2.133 1.00 0.00 O HETATM 841 O HOH A 327 -8.072 11.039 -2.273 1.00 0.00 O HETATM 844 O HOH A 328 -11.306 -0.470 -6.742 1.00 0.00 O HETATM 847 O HOH A 329 -13.821 -8.691 -5.175 1.00 0.00 O HETATM 850 O HOH A 330 10.202 5.659 6.162 1.00 0.00 O HETATM 853 O HOH A 331 3.482 -4.369 3.101 1.00 0.00 O HETATM 856 O HOH A 332 13.550 -2.165 4.291 1.00 0.00 O HETATM 859 O HOH A 333 -8.503 -5.724 -10.711 1.00 0.00 O HETATM 862 O HOH A 334 -15.373 2.051 5.745 1.00 0.00 O HETATM 865 O HOH A 335 18.075 -4.314 -2.629 1.00 0.00 O HETATM 868 O HOH A 336 -8.982 -12.183 -10.182 1.00 0.00 O HETATM 871 O HOH A 337 -6.287 -6.705 -12.093 1.00 0.00 O HETATM 874 O HOH A 338 -10.264 10.202 -3.586 1.00 0.00 O HETATM 877 O HOH A 339 4.955 -8.293 -4.117 1.00 0.00 O HETATM 880 O HOH A 340 12.509 2.707 -2.510 1.00 0.00 O HETATM 883 O HOH A 341 -14.834 0.541 -2.086 1.00 0.00 O HETATM 886 O HOH A 342 7.876 12.392 4.397 1.00 0.00 O HETATM 889 O HOH A 343 -14.015 -3.652 -1.814 1.00 0.00 O HETATM 892 O HOH A 344 1.015 -5.503 2.805 1.00 0.00 O HETATM 895 O HOH A 345 7.717 4.603 6.570 1.00 0.00 O HETATM 898 O HOH A 346 2.094 -0.636 10.599 1.00 0.00 O HETATM 901 O HOH A 347 -11.852 -12.359 -0.370 1.00 0.00 O HETATM 904 O HOH A 348 -3.656 4.817 -6.555 1.00 0.00 O HETATM 907 O HOH A 349 0.890 -9.349 -2.670 1.00 0.00 O HETATM 910 O HOH A 350 0.704 -10.120 -5.291 1.00 0.00 O HETATM 913 O HOH A 351 -10.802 -6.318 -8.976 1.00 0.00 O HETATM 916 O HOH A 352 7.606 -4.849 1.873 1.00 0.00 O HETATM 919 O HOH A 353 -14.225 -5.807 0.944 1.00 0.00 O HETATM 922 O HOH A 354 -12.905 -12.941 -4.835 1.00 0.00 O HETATM 925 O HOH A 355 10.741 -6.009 1.934 1.00 0.00 O HETATM 928 O HOH A 356 15.575 4.525 2.812 1.00 0.00 O HETATM 931 O HOH A 357 -17.754 -3.005 0.279 1.00 0.00 O HETATM 934 O HOH A 358 -6.159 6.617 -4.099 1.00 0.00 O HETATM 937 O HOH A 359 4.897 4.265 6.954 1.00 0.00 O HETATM 940 O HOH A 360 -10.494 -14.069 -5.369 1.00 0.00 O HETATM 943 O HOH A 361 -11.684 3.262 -4.576 1.00 0.00 O HETATM 946 O HOH A 362 8.979 -6.082 -0.139 1.00 0.00 O HETATM 949 O HOH A 363 0.175 -5.697 5.335 1.00 0.00 O HETATM 952 O HOH A 364 9.453 -4.610 3.881 1.00 0.00 O HETATM 955 O HOH A 365 -13.157 -11.307 -6.938 1.00 0.00 O HETATM 958 O HOH A 366 -5.972 -13.446 -1.776 1.00 0.00 O HETATM 961 O HOH A 367 -8.191 -15.536 -9.214 1.00 0.00 O HETATM 964 O HOH A 368 -13.496 -10.267 0.147 1.00 0.00 O HETATM 967 O HOH A 369 11.487 -10.351 -12.616 1.00 0.00 O HETATM 970 O HOH A 370 -10.080 2.047 -6.299 1.00 0.00 O HETATM 973 O HOH A 371 -9.882 -4.598 7.642 1.00 0.00 O HETATM 976 O HOH A 372 -13.071 -8.200 1.859 1.00 0.00 O HETATM 979 O HOH A 373 11.396 -1.772 -4.842 1.00 0.00 O HETATM 982 O HOH A 374 -1.292 -15.935 -4.458 1.00 0.00 O HETATM 985 O HOH A 375 7.150 1.139 -9.236 1.00 0.00 O HETATM 988 O HOH A 376 2.022 2.007 10.333 1.00 0.00 O HETATM 991 O HOH A 377 -7.371 2.222 -6.293 1.00 0.00 O HETATM 994 O HOH A 378 10.097 -4.240 -4.900 1.00 0.00 O HETATM 997 O HOH A 379 -4.281 -10.946 2.086 1.00 0.00 O HETATM 1000 O HOH A 380 -13.196 -13.813 -2.222 1.00 0.00 O HETATM 1003 O HOH A 381 2.725 3.877 8.518 1.00 0.00 O HETATM 1006 O HOH A 382 -16.220 -4.934 -0.717 1.00 0.00 O HETATM 1009 O HOH A 383 12.294 -5.655 -5.676 1.00 0.00 O HETATM 1012 O HOH A 384 -14.964 -11.721 -1.899 1.00 0.00 O HETATM 1015 O HOH A 385 -4.761 -13.214 0.711 1.00 0.00 O HETATM 1018 O HOH A 386 -6.275 4.818 -6.194 1.00 0.00 O HETATM 1021 O HOH A 387 7.897 5.377 -8.877 1.00 0.00 O HETATM 1024 O HOH A 388 -15.755 -9.796 -3.540 1.00 0.00 O HETATM 1027 O HOH A 389 -15.265 -8.638 -1.096 1.00 0.00 O HETATM 1030 O HOH A 390 9.591 -5.807 -2.762 1.00 0.00 O HETATM 1033 O HOH A 391 4.263 -4.439 5.758 1.00 0.00 O HETATM 1036 O HOH A 392 3.384 -3.890 8.210 1.00 0.00 O HETATM 1039 O HOH A 393 6.924 7.955 -8.625 1.00 0.00 O HETATM 1042 O HOH A 394 4.227 -1.553 9.294 1.00 0.00 O HETATM 1045 O HOH A 395 6.425 9.343 -6.399 1.00 0.00 O HETATM 1048 O HOH A 396 -1.926 -10.509 0.688 1.00 0.00 O HETATM 1051 O HOH A 397 -11.152 -5.705 -11.624 1.00 0.00 O HETATM 1054 O HOH A 398 -2.209 -13.167 -0.353 1.00 0.00 O HETATM 1057 O HOH A 399 10.409 5.682 -7.816 1.00 0.00 O