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 -161:sc= -0.113 USER MOD Single : A 68 CYS SG : rot 158:sc= 0.108! USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= 2.19 (180deg=0.362) USER MOD Single : A 75 SER OG : rot -89:sc= 1.82 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.901) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -12.204 -8.020 -3.238 1.00 0.00 N ATOM 2 CA PRO A 62 -10.997 -7.158 -3.200 1.00 0.00 C ATOM 3 C PRO A 62 -10.198 -7.367 -1.903 1.00 0.00 C ATOM 4 O PRO A 62 -10.659 -8.055 -0.991 1.00 0.00 O ATOM 5 CB PRO A 62 -11.472 -5.702 -3.369 1.00 0.00 C ATOM 6 CG PRO A 62 -12.967 -5.758 -3.065 1.00 0.00 C ATOM 7 CD PRO A 62 -13.317 -7.133 -3.619 1.00 0.00 C ATOM 0 HA PRO A 62 -10.311 -7.418 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.951 -5.031 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.284 -5.337 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.176 -5.676 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.520 -4.960 -3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.260 -7.491 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.435 -7.099 -4.702 1.00 0.00 H new ATOM 15 N PHE A 63 -9.002 -6.784 -1.815 1.00 0.00 N ATOM 16 CA PHE A 63 -8.146 -6.829 -0.624 1.00 0.00 C ATOM 17 C PHE A 63 -8.274 -5.545 0.225 1.00 0.00 C ATOM 18 O PHE A 63 -8.948 -4.591 -0.168 1.00 0.00 O ATOM 19 CB PHE A 63 -6.703 -7.116 -1.076 1.00 0.00 C ATOM 20 CG PHE A 63 -5.977 -8.108 -0.189 1.00 0.00 C ATOM 21 CD1 PHE A 63 -6.361 -9.463 -0.210 1.00 0.00 C ATOM 22 CD2 PHE A 63 -4.910 -7.700 0.632 1.00 0.00 C ATOM 23 CE1 PHE A 63 -5.683 -10.404 0.586 1.00 0.00 C ATOM 24 CE2 PHE A 63 -4.232 -8.642 1.428 1.00 0.00 C ATOM 25 CZ PHE A 63 -4.618 -9.993 1.403 1.00 0.00 C ATOM 0 H PHE A 63 -8.591 -6.256 -2.585 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.469 -7.633 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.720 -7.498 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.144 -6.181 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.179 -9.781 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.611 -6.662 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.982 -11.442 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.414 -8.326 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.095 -10.715 2.012 1.00 0.00 H new ATOM 35 N ALA A 64 -7.545 -5.464 1.343 1.00 0.00 N ATOM 36 CA ALA A 64 -7.453 -4.261 2.186 1.00 0.00 C ATOM 37 C ALA A 64 -6.025 -4.019 2.706 1.00 0.00 C ATOM 38 O ALA A 64 -5.137 -4.850 2.490 1.00 0.00 O ATOM 39 CB ALA A 64 -8.470 -4.369 3.331 1.00 0.00 C ATOM 0 H ALA A 64 -6.992 -6.245 1.696 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.695 -3.390 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.406 -3.480 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.475 -4.450 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.251 -5.253 3.930 1.00 0.00 H new ATOM 45 N CYS A 65 -5.722 -2.771 3.062 1.00 0.00 N ATOM 46 CA CYS A 65 -4.426 -2.331 3.579 1.00 0.00 C ATOM 47 C CYS A 65 -4.353 -2.466 5.104 1.00 0.00 C ATOM 48 O CYS A 65 -5.121 -1.820 5.807 1.00 0.00 O ATOM 49 CB CYS A 65 -4.240 -0.868 3.179 1.00 0.00 C ATOM 50 SG CYS A 65 -4.190 -0.707 1.381 1.00 0.00 S ATOM 0 H CYS A 65 -6.398 -2.010 2.996 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.637 -2.957 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.056 -0.268 3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.317 -0.481 3.611 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.651 0.432 1.062 1.00 0.00 H new ATOM 55 N ASP A 66 -3.208 -2.940 5.592 1.00 0.00 N ATOM 56 CA ASP A 66 -2.919 -2.928 7.032 1.00 0.00 C ATOM 57 C ASP A 66 -2.570 -1.527 7.573 1.00 0.00 C ATOM 58 O ASP A 66 -3.008 -1.164 8.663 1.00 0.00 O ATOM 59 CB ASP A 66 -1.797 -3.936 7.306 1.00 0.00 C ATOM 60 CG ASP A 66 -1.750 -4.434 8.755 1.00 0.00 C ATOM 61 OD1 ASP A 66 -0.884 -5.319 8.946 1.00 0.00 O ATOM 62 OD2 ASP A 66 -2.831 -4.448 9.391 1.00 0.00 O ATOM 0 H ASP A 66 -2.465 -3.337 5.017 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.823 -3.217 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.920 -4.791 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.840 -3.476 7.059 1.00 0.00 H new ATOM 67 N ILE A 67 -1.954 -0.688 6.729 1.00 0.00 N ATOM 68 CA ILE A 67 -1.607 0.707 7.039 1.00 0.00 C ATOM 69 C ILE A 67 -2.786 1.680 6.842 1.00 0.00 C ATOM 70 O ILE A 67 -3.202 2.309 7.812 1.00 0.00 O ATOM 71 CB ILE A 67 -0.347 1.123 6.245 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.910 0.327 6.676 1.00 0.00 C ATOM 73 CG2 ILE A 67 -0.065 2.634 6.327 1.00 0.00 C ATOM 74 CD1 ILE A 67 1.388 0.537 8.121 1.00 0.00 C ATOM 0 H ILE A 67 -1.676 -0.967 5.788 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.375 0.767 8.102 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.568 0.879 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.708 -0.735 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.727 0.589 6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.830 2.869 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.913 3.185 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.087 2.920 7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.273 -0.072 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.633 1.588 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.597 0.244 8.812 1.00 0.00 H new ATOM 86 N CYS A 68 -3.392 1.736 5.647 1.00 0.00 N ATOM 87 CA CYS A 68 -4.507 2.647 5.369 1.00 0.00 C ATOM 88 C CYS A 68 -5.815 2.252 6.102 1.00 0.00 C ATOM 89 O CYS A 68 -6.732 3.076 6.166 1.00 0.00 O ATOM 90 CB CYS A 68 -4.754 2.722 3.845 1.00 0.00 C ATOM 91 SG CYS A 68 -3.430 3.539 2.909 1.00 0.00 S ATOM 0 H CYS A 68 -3.124 1.155 4.853 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.219 3.626 5.752 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.883 1.710 3.460 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.689 3.253 3.667 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.474 3.154 1.668 1.00 0.00 H new ATOM 96 N GLY A 69 -6.060 0.943 6.267 1.00 0.00 N ATOM 97 CA GLY A 69 -7.383 0.360 6.555 1.00 0.00 C ATOM 98 C GLY A 69 -8.362 0.352 5.365 1.00 0.00 C ATOM 99 O GLY A 69 -9.352 -0.380 5.376 1.00 0.00 O ATOM 0 H GLY A 69 -5.324 0.240 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.245 -0.665 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.837 0.914 7.376 1.00 0.00 H new ATOM 103 N ARG A 70 -8.062 1.095 4.290 1.00 0.00 N ATOM 104 CA ARG A 70 -8.856 1.156 3.049 1.00 0.00 C ATOM 105 C ARG A 70 -8.839 -0.186 2.297 1.00 0.00 C ATOM 106 O ARG A 70 -7.849 -0.921 2.316 1.00 0.00 O ATOM 107 CB ARG A 70 -8.365 2.309 2.143 1.00 0.00 C ATOM 108 CG ARG A 70 -8.895 3.711 2.506 1.00 0.00 C ATOM 109 CD ARG A 70 -8.532 4.157 3.925 1.00 0.00 C ATOM 110 NE ARG A 70 -8.717 5.606 4.116 1.00 0.00 N ATOM 111 CZ ARG A 70 -8.332 6.285 5.188 1.00 0.00 C ATOM 112 NH1 ARG A 70 -8.591 7.555 5.254 1.00 0.00 N ATOM 113 NH2 ARG A 70 -7.659 5.767 6.177 1.00 0.00 N ATOM 0 H ARG A 70 -7.234 1.690 4.257 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.891 1.357 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.276 2.333 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.651 2.087 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.499 4.435 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.980 3.719 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.148 3.616 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.495 3.894 4.133 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.176 6.126 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.083 8.016 4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.302 8.093 6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.397 4.781 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.394 6.347 6.973 1.00 0.00 H new ATOM 127 N LYS A 71 -9.859 -0.398 1.455 1.00 0.00 N ATOM 128 CA LYS A 71 -9.856 -1.424 0.393 1.00 0.00 C ATOM 129 C LYS A 71 -8.932 -1.039 -0.771 1.00 0.00 C ATOM 130 O LYS A 71 -8.900 0.131 -1.154 1.00 0.00 O ATOM 131 CB LYS A 71 -11.276 -1.662 -0.141 1.00 0.00 C ATOM 132 CG LYS A 71 -12.146 -2.404 0.874 1.00 0.00 C ATOM 133 CD LYS A 71 -13.558 -2.554 0.310 1.00 0.00 C ATOM 134 CE LYS A 71 -14.465 -3.167 1.373 1.00 0.00 C ATOM 135 NZ LYS A 71 -15.896 -2.973 1.043 1.00 0.00 N ATOM 0 H LYS A 71 -10.723 0.143 1.489 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.479 -2.343 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.738 -0.705 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.225 -2.237 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.721 -3.385 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.174 -1.857 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.944 -1.582 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.542 -3.186 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.253 -4.232 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.249 -2.715 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.427 -2.762 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.994 -2.181 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.273 -3.840 0.609 1.00 0.00 H new ATOM 149 N PHE A 72 -8.494 -2.053 -1.522 1.00 0.00 N ATOM 150 CA PHE A 72 -7.958 -1.927 -2.884 1.00 0.00 C ATOM 151 C PHE A 72 -8.164 -3.229 -3.680 1.00 0.00 C ATOM 152 O PHE A 72 -8.447 -4.269 -3.089 1.00 0.00 O ATOM 153 CB PHE A 72 -6.475 -1.530 -2.820 1.00 0.00 C ATOM 154 CG PHE A 72 -5.994 -0.779 -4.040 1.00 0.00 C ATOM 155 CD1 PHE A 72 -5.015 -1.328 -4.891 1.00 0.00 C ATOM 156 CD2 PHE A 72 -6.524 0.497 -4.313 1.00 0.00 C ATOM 157 CE1 PHE A 72 -4.561 -0.593 -6.001 1.00 0.00 C ATOM 158 CE2 PHE A 72 -6.085 1.218 -5.437 1.00 0.00 C ATOM 159 CZ PHE A 72 -5.098 0.675 -6.276 1.00 0.00 C ATOM 0 H PHE A 72 -8.502 -3.017 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.502 -1.143 -3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.311 -0.913 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.872 -2.430 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.614 -2.311 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.269 0.922 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.797 -1.005 -6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.506 2.188 -5.655 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.752 1.233 -7.133 1.00 0.00 H new ATOM 169 N ALA A 73 -8.095 -3.187 -5.014 1.00 0.00 N ATOM 170 CA ALA A 73 -8.571 -4.283 -5.867 1.00 0.00 C ATOM 171 C ALA A 73 -7.755 -5.595 -5.747 1.00 0.00 C ATOM 172 O ALA A 73 -8.214 -6.528 -5.079 1.00 0.00 O ATOM 173 CB ALA A 73 -8.730 -3.770 -7.303 1.00 0.00 C ATOM 0 H ALA A 73 -7.710 -2.397 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.551 -4.591 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.083 -4.580 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.452 -2.953 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.768 -3.412 -7.670 1.00 0.00 H new ATOM 179 N ARG A 74 -6.598 -5.692 -6.425 1.00 0.00 N ATOM 180 CA ARG A 74 -5.692 -6.865 -6.430 1.00 0.00 C ATOM 181 C ARG A 74 -4.277 -6.459 -6.864 1.00 0.00 C ATOM 182 O ARG A 74 -3.431 -6.258 -6.000 1.00 0.00 O ATOM 183 CB ARG A 74 -6.288 -7.982 -7.319 1.00 0.00 C ATOM 184 CG ARG A 74 -5.704 -9.379 -7.062 1.00 0.00 C ATOM 185 CD ARG A 74 -4.217 -9.544 -7.405 1.00 0.00 C ATOM 186 NE ARG A 74 -3.853 -10.970 -7.506 1.00 0.00 N ATOM 187 CZ ARG A 74 -2.943 -11.505 -8.300 1.00 0.00 C ATOM 188 NH1 ARG A 74 -2.315 -10.799 -9.194 1.00 0.00 N ATOM 189 NH2 ARG A 74 -2.718 -12.786 -8.276 1.00 0.00 N ATOM 0 H ARG A 74 -6.251 -4.930 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.604 -7.261 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.366 -8.018 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.127 -7.721 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.846 -9.626 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.276 -10.105 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.000 -9.042 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.608 -9.063 -6.640 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.359 -11.613 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.521 -9.805 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.617 -11.239 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.246 -13.385 -7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.014 -13.192 -8.892 1.00 0.00 H new ATOM 203 N SER A 75 -4.168 -5.973 -8.104 1.00 0.00 N ATOM 204 CA SER A 75 -3.291 -4.859 -8.494 1.00 0.00 C ATOM 205 C SER A 75 -1.777 -5.081 -8.318 1.00 0.00 C ATOM 206 O SER A 75 -1.104 -4.238 -7.734 1.00 0.00 O ATOM 207 CB SER A 75 -3.770 -3.560 -7.816 1.00 0.00 C ATOM 208 OG SER A 75 -5.188 -3.465 -7.765 1.00 0.00 O ATOM 0 H SER A 75 -4.701 -6.352 -8.887 1.00 0.00 H new ATOM 0 HA SER A 75 -3.391 -4.781 -9.577 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.369 -3.513 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.371 -2.702 -8.357 1.00 0.00 H new ATOM 0 HG SER A 75 -5.516 -3.029 -8.579 1.00 0.00 H new HETATM 214 N OUD A 76 -1.195 -6.106 -8.981 1.00 0.00 N HETATM 215 CA OUD A 76 0.269 -6.178 -9.205 1.00 0.00 C HETATM 216 C OUD A 76 0.771 -2.994 -9.780 1.00 0.00 C HETATM 217 O OUD A 76 1.984 -2.985 -9.612 1.00 0.00 O HETATM 218 CB OUD A 76 0.773 -7.645 -9.268 1.00 0.00 C HETATM 219 CG OUD A 76 2.283 -7.733 -9.437 1.00 0.00 C HETATM 220 OD1 OUD A 76 2.976 -7.590 -8.453 1.00 0.00 O HETATM 221 OD2 OUD A 76 2.731 -7.881 -10.553 1.00 0.00 O HETATM 222 CM OUD A 76 0.680 -5.411 -10.487 1.00 0.00 C HETATM 223 N2 OUD A 76 0.186 -4.030 -10.539 1.00 0.00 N HETATM 231 N OUE A 77 0.024 -1.799 -9.764 1.00 0.00 N HETATM 232 CA OUE A 77 0.496 -0.547 -9.142 1.00 0.00 C HETATM 233 C OUE A 77 -0.848 -1.538 -5.674 1.00 0.00 C HETATM 234 O OUE A 77 -0.697 -0.667 -4.831 1.00 0.00 O HETATM 235 CB OUE A 77 0.242 0.645 -10.099 1.00 0.00 C HETATM 236 CG OUE A 77 1.219 1.820 -9.878 1.00 0.00 C HETATM 237 CD OUE A 77 2.580 1.540 -10.484 1.00 0.00 C HETATM 238 OE1 OUE A 77 3.537 1.478 -9.750 1.00 0.00 O HETATM 239 OE2 OUE A 77 2.654 1.417 -11.685 1.00 0.00 O HETATM 240 CM OUE A 77 -0.192 -0.302 -7.772 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.148 -1.477 -6.892 1.00 0.00 N HETATM 251 N OUK A 78 -1.189 -2.845 -5.282 1.00 0.00 N HETATM 252 CA OUK A 78 -0.453 -3.583 -4.246 1.00 0.00 C HETATM 253 C OUK A 78 2.550 -3.280 -5.615 1.00 0.00 C HETATM 254 O OUK A 78 3.174 -3.496 -4.581 1.00 0.00 O HETATM 255 CB OUK A 78 -1.439 -4.378 -3.356 1.00 0.00 C HETATM 256 CG OUK A 78 -2.324 -3.487 -2.455 1.00 0.00 C HETATM 257 CD OUK A 78 -3.499 -4.308 -1.871 1.00 0.00 C HETATM 258 CE OUK A 78 -4.270 -3.507 -0.806 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.643 -3.527 0.558 1.00 0.00 N HETATM 260 CM OUK A 78 0.526 -4.607 -4.878 1.00 0.00 C HETATM 261 N2 OUK A 78 1.411 -4.052 -5.908 1.00 0.00 N HETATM 278 N OUR A 79 3.239 -2.887 -6.778 1.00 0.00 N HETATM 279 CA OUR A 79 4.432 -2.023 -6.747 1.00 0.00 C HETATM 280 C OUR A 79 3.072 0.728 -5.293 1.00 0.00 C HETATM 281 O OUR A 79 4.090 0.616 -4.618 1.00 0.00 O HETATM 282 CB OUR A 79 5.561 -2.578 -7.649 1.00 0.00 C HETATM 283 CG OUR A 79 5.939 -4.040 -7.320 1.00 0.00 C HETATM 284 CD OUR A 79 7.051 -4.542 -8.269 1.00 0.00 C HETATM 285 NE OUR A 79 7.161 -6.008 -8.215 1.00 0.00 N HETATM 286 CZ OUR A 79 6.331 -6.894 -8.793 1.00 0.00 C HETATM 287 NH1 OUR A 79 6.522 -8.205 -8.616 1.00 0.00 N HETATM 288 NH2 OUR A 79 5.323 -6.491 -9.571 1.00 0.00 N HETATM 289 CM OUR A 79 4.083 -0.588 -7.202 1.00 0.00 C HETATM 290 N2 OUR A 79 2.943 -0.021 -6.473 1.00 0.00 N HETATM 307 N OUH A 80 1.829 0.981 -4.675 1.00 0.00 N HETATM 308 CA OUH A 80 1.700 1.453 -3.290 1.00 0.00 C HETATM 309 C OUH A 80 3.147 -1.180 -1.375 1.00 0.00 C HETATM 310 O OUH A 80 2.745 -1.134 -0.216 1.00 0.00 O HETATM 311 CB OUH A 80 0.710 2.648 -3.171 1.00 0.00 C HETATM 312 CG OUH A 80 -0.620 2.320 -2.533 1.00 0.00 C HETATM 313 CD2 OUH A 80 -0.970 2.634 -1.245 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.683 1.619 -3.057 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.576 1.584 -2.021 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.139 2.156 -0.949 1.00 0.00 N HETATM 317 CM OUH A 80 1.356 0.296 -2.318 1.00 0.00 C HETATM 318 N2 OUH A 80 2.284 -0.831 -2.424 1.00 0.00 N HETATM 329 N OUK A 81 4.077 -2.164 -1.743 1.00 0.00 N HETATM 330 CA OUK A 81 5.368 -2.265 -1.047 1.00 0.00 C HETATM 331 C OUK A 81 6.416 0.931 -1.762 1.00 0.00 C HETATM 332 O OUK A 81 6.610 0.940 -0.552 1.00 0.00 O HETATM 333 CB OUK A 81 5.727 -3.741 -0.748 1.00 0.00 C HETATM 334 CG OUK A 81 4.652 -4.459 0.106 1.00 0.00 C HETATM 335 CD OUK A 81 5.015 -5.947 0.317 1.00 0.00 C HETATM 336 CE OUK A 81 3.904 -6.716 1.066 1.00 0.00 C HETATM 337 NZ OUK A 81 3.721 -6.369 2.523 1.00 0.00 N HETATM 338 CM OUK A 81 6.497 -1.607 -1.879 1.00 0.00 C HETATM 339 N2 OUK A 81 6.136 -0.285 -2.411 1.00 0.00 N HETATM 356 N OUI A 82 5.826 2.039 -2.400 1.00 0.00 N HETATM 357 CA OUI A 82 5.736 3.389 -1.814 1.00 0.00 C HETATM 358 C OUI A 82 3.423 2.820 0.662 1.00 0.00 C HETATM 359 O OUI A 82 3.734 3.828 1.280 1.00 0.00 O HETATM 360 CB OUI A 82 6.433 4.460 -2.701 1.00 0.00 C HETATM 361 CG1 OUI A 82 5.873 4.487 -4.156 1.00 0.00 C HETATM 362 CG2 OUI A 82 7.966 4.237 -2.686 1.00 0.00 C HETATM 363 CD1 OUI A 82 6.453 5.632 -5.004 1.00 0.00 C HETATM 364 CM OUI A 82 4.267 3.768 -1.521 1.00 0.00 C HETATM 365 N2 OUI A 82 3.592 2.733 -0.729 1.00 0.00 N HETATM 380 N OUH A 83 3.437 1.568 1.294 1.00 0.00 N HETATM 381 CA OUH A 83 3.478 1.402 2.751 1.00 0.00 C HETATM 382 C OUH A 83 7.270 0.911 2.966 1.00 0.00 C HETATM 383 O OUH A 83 7.569 0.572 4.103 1.00 0.00 O HETATM 384 CB OUH A 83 2.850 0.051 3.156 1.00 0.00 C HETATM 385 CG OUH A 83 1.392 -0.065 2.773 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.550 0.962 2.403 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.637 -1.214 2.703 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.582 -0.764 2.280 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.626 0.513 2.099 1.00 0.00 N HETATM 390 CM OUH A 83 4.912 1.564 3.310 1.00 0.00 C HETATM 391 N2 OUH A 83 5.933 0.834 2.550 1.00 0.00 N ATOM 402 N ARG A 84 8.220 0.811 1.933 1.00 0.00 N ATOM 403 CA ARG A 84 9.668 0.930 2.189 1.00 0.00 C ATOM 404 C ARG A 84 10.082 2.305 2.744 1.00 0.00 C ATOM 405 O ARG A 84 10.988 2.380 3.577 1.00 0.00 O ATOM 406 CB ARG A 84 10.425 0.585 0.895 1.00 0.00 C ATOM 407 CG ARG A 84 11.935 0.499 1.151 1.00 0.00 C ATOM 408 CD ARG A 84 12.687 -0.067 -0.056 1.00 0.00 C ATOM 409 NE ARG A 84 14.075 -0.372 0.330 1.00 0.00 N ATOM 410 CZ ARG A 84 14.751 -1.482 0.120 1.00 0.00 C ATOM 411 NH1 ARG A 84 15.867 -1.651 0.754 1.00 0.00 N ATOM 412 NH2 ARG A 84 14.308 -2.446 -0.628 1.00 0.00 N ATOM 0 H ARG A 84 7.979 0.652 0.955 1.00 0.00 H new ATOM 0 HA ARG A 84 9.933 0.223 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.064 -0.365 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.223 1.342 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.320 1.491 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.120 -0.130 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.192 -0.969 -0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.676 0.652 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 84 14.575 0.369 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.202 -0.934 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.411 -2.502 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.399 -2.362 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.869 -3.288 -0.761 1.00 0.00 H new ATOM 426 N LYS A 85 9.292 3.341 2.436 1.00 0.00 N ATOM 427 CA LYS A 85 9.315 4.653 3.091 1.00 0.00 C ATOM 428 C LYS A 85 7.902 5.158 3.377 1.00 0.00 C ATOM 429 O LYS A 85 7.046 5.166 2.485 1.00 0.00 O ATOM 430 CB LYS A 85 10.171 5.675 2.305 1.00 0.00 C ATOM 431 CG LYS A 85 10.083 7.054 2.969 1.00 0.00 C ATOM 432 CD LYS A 85 11.051 8.102 2.426 1.00 0.00 C ATOM 433 CE LYS A 85 10.650 9.490 2.949 1.00 0.00 C ATOM 434 NZ LYS A 85 10.462 9.536 4.420 1.00 0.00 N ATOM 0 H LYS A 85 8.593 3.285 1.695 1.00 0.00 H new ATOM 0 HA LYS A 85 9.803 4.532 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.209 5.344 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.823 5.736 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.066 7.429 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.262 6.937 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.070 7.866 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.038 8.095 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.416 10.212 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.725 9.800 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.581 10.513 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.506 9.202 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.167 8.925 4.879 1.00 0.00 H new ATOM 448 N ASP A 86 7.781 5.779 4.554 1.00 0.00 N ATOM 449 CA ASP A 86 6.663 6.607 5.035 1.00 0.00 C ATOM 450 C ASP A 86 7.141 8.051 5.270 1.00 0.00 C ATOM 451 O ASP A 86 8.359 8.232 5.507 1.00 0.00 O ATOM 452 CB ASP A 86 6.089 5.899 6.290 1.00 0.00 C ATOM 453 CG ASP A 86 4.624 6.190 6.652 1.00 0.00 C ATOM 454 OD1 ASP A 86 3.817 6.480 5.742 1.00 0.00 O ATOM 455 OD2 ASP A 86 4.242 5.596 7.696 1.00 0.00 O ATOM 456 OXT ASP A 86 6.504 8.984 4.738 1.00 0.00 O ATOM 0 H ASP A 86 8.520 5.712 5.254 1.00 0.00 H new ATOM 0 HA ASP A 86 5.859 6.700 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.195 4.823 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.709 6.171 7.144 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.442 1.445 1.130 1.00 0.00 ZN HETATM 463 O HOH A 201 -3.005 -4.317 11.971 1.00 0.00 O HETATM 466 O HOH A 202 1.097 1.138 -13.757 1.00 0.00 O HETATM 469 O HOH A 203 -4.090 2.102 0.780 1.00 0.00 O HETATM 472 O HOH A 204 5.861 3.813 8.753 1.00 0.00 O HETATM 475 O HOH A 205 2.251 4.882 9.271 1.00 0.00 O HETATM 478 O HOH A 206 -0.064 -7.189 7.268 1.00 0.00 O HETATM 481 O HOH A 207 1.549 -5.667 9.929 1.00 0.00 O HETATM 484 O HOH A 208 -5.414 -4.760 8.896 1.00 0.00 O HETATM 487 O HOH A 209 3.184 -7.181 -5.843 1.00 0.00 O HETATM 490 O HOH A 210 6.091 1.670 -9.066 1.00 0.00 O HETATM 493 O HOH A 211 3.770 -6.103 -12.240 1.00 0.00 O HETATM 496 O HOH A 212 -6.461 -2.862 -10.050 1.00 0.00 O HETATM 499 O HOH A 213 4.823 -9.574 -10.660 1.00 0.00 O HETATM 502 O HOH A 214 -1.921 2.409 10.199 1.00 0.00 O HETATM 505 O HOH A 215 -11.949 -8.528 1.436 1.00 0.00 O HETATM 508 O HOH A 216 -3.909 0.617 10.647 1.00 0.00 O HETATM 511 O HOH A 217 -17.995 -4.726 0.363 1.00 0.00 O HETATM 514 O HOH A 218 -1.105 -4.726 0.856 1.00 0.00 O HETATM 517 O HOH A 219 12.715 -1.672 -2.831 1.00 0.00 O HETATM 520 O HOH A 220 15.655 -4.813 -1.407 1.00 0.00 O HETATM 523 O HOH A 221 -3.799 -15.184 -7.205 1.00 0.00 O HETATM 526 O HOH A 222 5.307 6.761 0.903 1.00 0.00 O HETATM 529 O HOH A 223 -11.730 -10.284 -4.897 1.00 0.00 O HETATM 532 O HOH A 224 -2.407 -12.044 -11.754 1.00 0.00 O HETATM 535 O HOH A 225 -4.336 -2.101 11.008 1.00 0.00 O HETATM 538 O HOH A 226 6.402 -6.246 3.494 1.00 0.00 O HETATM 541 O HOH A 227 -9.042 9.210 7.540 1.00 0.00 O HETATM 544 O HOH A 228 15.879 0.562 2.566 1.00 0.00 O HETATM 547 O HOH A 229 -9.439 8.338 2.636 1.00 0.00 O HETATM 550 O HOH A 230 7.453 -2.293 4.236 1.00 0.00 O HETATM 553 O HOH A 231 -16.619 -3.160 3.818 1.00 0.00 O HETATM 556 O HOH A 232 -2.327 -7.801 8.732 1.00 0.00 O HETATM 559 O HOH A 233 -1.292 -14.133 -10.424 1.00 0.00 O HETATM 562 O HOH A 234 18.086 -3.499 1.162 1.00 0.00 O HETATM 565 O HOH A 235 -16.338 -0.920 -0.983 1.00 0.00 O HETATM 568 O HOH A 236 -5.840 -12.448 -5.911 1.00 0.00 O HETATM 571 O HOH A 237 4.602 -8.781 4.017 1.00 0.00 O HETATM 574 O HOH A 238 7.904 -9.630 -6.403 1.00 0.00 O HETATM 577 O HOH A 239 -13.531 -10.434 -2.092 1.00 0.00 O HETATM 580 O HOH A 240 1.346 -8.182 2.429 1.00 0.00 O HETATM 583 O HOH A 241 -5.473 -6.501 -10.744 1.00 0.00 O HETATM 586 O HOH A 242 1.431 -5.353 4.179 1.00 0.00 O HETATM 589 O HOH A 243 3.710 -5.869 5.485 1.00 0.00 O HETATM 592 O HOH A 244 15.328 2.361 -0.134 1.00 0.00 O HETATM 595 O HOH A 245 2.615 6.716 1.110 1.00 0.00 O HETATM 598 O HOH A 246 1.489 -3.956 -13.387 1.00 0.00 O HETATM 601 O HOH A 247 -13.745 -7.726 -0.490 1.00 0.00 O HETATM 604 O HOH A 248 -15.367 -0.726 3.220 1.00 0.00 O HETATM 607 O HOH A 249 17.613 0.857 -0.155 1.00 0.00 O HETATM 610 O HOH A 250 -10.374 5.680 7.882 1.00 0.00 O HETATM 613 O HOH A 251 -2.089 -4.467 -12.764 1.00 0.00 O HETATM 616 O HOH A 252 -8.164 7.064 9.076 1.00 0.00 O HETATM 619 O HOH A 253 11.509 4.548 5.920 1.00 0.00 O HETATM 622 O HOH A 254 5.085 11.881 5.015 1.00 0.00 O HETATM 625 O HOH A 255 5.108 -3.706 3.910 1.00 0.00 O HETATM 628 O HOH A 256 -4.631 -9.145 -10.895 1.00 0.00 O HETATM 631 O HOH A 257 5.458 -8.711 -5.485 1.00 0.00 O HETATM 634 O HOH A 258 0.063 -13.133 -6.319 1.00 0.00 O HETATM 637 O HOH A 259 -4.940 -12.257 -10.897 1.00 0.00 O HETATM 640 O HOH A 260 7.049 -11.625 -8.900 1.00 0.00 O HETATM 643 O HOH A 261 -10.174 3.376 -0.802 1.00 0.00 O HETATM 646 O HOH A 262 -15.724 -3.284 -2.461 1.00 0.00 O HETATM 649 O HOH A 263 -15.233 -9.672 -4.093 1.00 0.00 O HETATM 652 O HOH A 264 15.994 -5.003 2.021 1.00 0.00 O HETATM 655 O HOH A 265 -6.829 9.109 2.532 1.00 0.00 O HETATM 658 O HOH A 266 -4.897 -7.398 9.587 1.00 0.00 O HETATM 661 O HOH A 267 -12.287 1.925 2.771 1.00 0.00 O HETATM 664 O HOH A 268 -2.938 -16.134 -9.664 1.00 0.00 O HETATM 667 O HOH A 269 14.306 -3.118 3.688 1.00 0.00 O HETATM 670 O HOH A 270 -12.157 1.660 6.669 1.00 0.00 O HETATM 673 O HOH A 271 -11.222 0.852 -3.948 1.00 0.00 O HETATM 676 O HOH A 272 -10.041 -0.245 -6.173 1.00 0.00 O HETATM 679 O HOH A 273 7.365 -10.582 -11.402 1.00 0.00 O HETATM 682 O HOH A 274 16.751 -2.182 4.376 1.00 0.00 O HETATM 685 O HOH A 275 -19.636 -2.924 1.535 1.00 0.00 O HETATM 688 O HOH A 276 -11.879 6.326 2.183 1.00 0.00 O HETATM 691 O HOH A 277 -12.597 -10.953 0.477 1.00 0.00 O HETATM 694 O HOH A 278 -14.608 -5.037 3.969 1.00 0.00 O HETATM 697 O HOH A 279 1.783 5.968 -1.650 1.00 0.00 O HETATM 700 O HOH A 280 -13.109 -0.160 4.624 1.00 0.00 O HETATM 703 O HOH A 281 18.823 -1.052 -1.652 1.00 0.00 O HETATM 706 O HOH A 282 -4.706 -6.438 12.119 1.00 0.00 O HETATM 709 O HOH A 283 -0.566 3.123 -13.002 1.00 0.00 O HETATM 712 O HOH A 284 -12.148 5.828 5.917 1.00 0.00 O HETATM 715 O HOH A 285 -9.988 3.022 8.283 1.00 0.00 O HETATM 718 O HOH A 286 19.097 -1.781 2.944 1.00 0.00 O HETATM 721 O HOH A 287 8.741 -2.231 6.591 1.00 0.00 O HETATM 724 O HOH A 288 3.742 -10.860 -6.355 1.00 0.00 O HETATM 727 O HOH A 289 -0.544 4.782 9.397 1.00 0.00 O HETATM 730 O HOH A 290 2.570 -6.899 7.743 1.00 0.00 O HETATM 733 O HOH A 291 -7.160 -11.377 -9.699 1.00 0.00 O HETATM 736 O HOH A 292 -5.904 3.452 -0.678 1.00 0.00 O HETATM 739 O HOH A 293 11.807 -2.884 2.463 1.00 0.00 O HETATM 742 O HOH A 294 -2.919 -9.631 -12.977 1.00 0.00 O HETATM 745 O HOH A 295 -4.584 -3.995 -11.699 1.00 0.00 O HETATM 748 O HOH A 296 2.674 -9.764 0.625 1.00 0.00 O HETATM 751 O HOH A 297 -0.578 -8.318 -12.825 1.00 0.00 O HETATM 754 O HOH A 298 4.415 -11.660 -8.922 1.00 0.00 O HETATM 757 O HOH A 299 -0.110 -5.961 -14.113 1.00 0.00 O HETATM 760 O HOH A 300 -5.189 -14.941 -10.700 1.00 0.00 O HETATM 763 O HOH A 301 18.577 0.857 2.497 1.00 0.00 O HETATM 766 O HOH A 302 13.713 -5.204 -3.599 1.00 0.00 O HETATM 769 O HOH A 303 5.440 -0.223 7.520 1.00 0.00 O HETATM 772 O HOH A 304 -9.479 2.975 -4.083 1.00 0.00 O HETATM 775 O HOH A 305 18.654 -3.725 -1.468 1.00 0.00 O HETATM 778 O HOH A 306 -16.947 -5.629 -1.996 1.00 0.00 O HETATM 781 O HOH A 307 11.600 6.781 7.743 1.00 0.00 O HETATM 784 O HOH A 308 -0.839 -2.842 12.768 1.00 0.00 O HETATM 787 O HOH A 309 9.498 7.110 9.456 1.00 0.00 O HETATM 790 O HOH A 310 -5.376 -10.465 -3.533 1.00 0.00 O HETATM 793 O HOH A 311 -14.551 1.110 1.463 1.00 0.00 O HETATM 796 O HOH A 312 -14.031 -10.407 -6.366 1.00 0.00 O HETATM 799 O HOH A 313 -10.733 -12.399 -0.994 1.00 0.00 O HETATM 802 O HOH A 314 -7.296 -0.292 -9.874 1.00 0.00 O HETATM 805 O HOH A 315 -1.140 -11.768 -4.181 1.00 0.00 O HETATM 808 O HOH A 316 13.223 6.154 4.498 1.00 0.00 O HETATM 811 O HOH A 317 -0.891 6.393 -1.061 1.00 0.00 O HETATM 814 O HOH A 318 -6.854 -2.867 10.338 1.00 0.00 O HETATM 817 O HOH A 319 -9.494 -6.802 -9.593 1.00 0.00 O HETATM 820 O HOH A 320 -12.115 -12.457 -3.272 1.00 0.00 O HETATM 823 O HOH A 321 -8.129 4.442 -2.048 1.00 0.00 O HETATM 826 O HOH A 322 -8.497 1.587 9.998 1.00 0.00 O HETATM 829 O HOH A 323 1.293 -14.823 -8.028 1.00 0.00 O HETATM 832 O HOH A 324 -8.351 -4.668 -10.740 1.00 0.00 O HETATM 835 O HOH A 325 2.760 2.504 10.634 1.00 0.00 O HETATM 838 O HOH A 326 3.980 11.584 7.468 1.00 0.00 O HETATM 841 O HOH A 327 2.978 -10.812 3.095 1.00 0.00 O HETATM 844 O HOH A 328 1.558 -7.938 -1.178 1.00 0.00 O HETATM 847 O HOH A 329 -8.333 -12.119 -7.237 1.00 0.00 O HETATM 850 O HOH A 330 6.748 7.993 -1.183 1.00 0.00 O HETATM 853 O HOH A 331 -2.388 6.717 9.018 1.00 0.00 O HETATM 856 O HOH A 332 -17.052 -6.231 4.142 1.00 0.00 O HETATM 859 O HOH A 333 2.007 5.622 -4.381 1.00 0.00 O HETATM 862 O HOH A 334 -3.327 5.087 -5.723 1.00 0.00 O HETATM 865 O HOH A 335 4.984 1.408 9.666 1.00 0.00 O HETATM 868 O HOH A 336 -0.051 6.589 1.443 1.00 0.00 O HETATM 871 O HOH A 337 16.448 -4.815 -4.074 1.00 0.00 O HETATM 874 O HOH A 338 -12.262 -6.458 3.172 1.00 0.00 O HETATM 877 O HOH A 339 -18.091 -7.123 1.751 1.00 0.00 O HETATM 880 O HOH A 340 1.139 -9.524 4.973 1.00 0.00 O HETATM 883 O HOH A 341 10.205 -0.387 7.978 1.00 0.00 O HETATM 886 O HOH A 342 1.634 -8.590 -3.962 1.00 0.00 O HETATM 889 O HOH A 343 4.359 -8.655 6.709 1.00 0.00 O HETATM 892 O HOH A 344 -14.685 -4.950 -5.996 1.00 0.00 O HETATM 895 O HOH A 345 9.206 -3.860 2.760 1.00 0.00 O HETATM 898 O HOH A 346 -8.339 -4.491 8.343 1.00 0.00 O HETATM 901 O HOH A 347 -13.348 -0.580 -3.068 1.00 0.00 O HETATM 904 O HOH A 348 -13.099 3.541 4.847 1.00 0.00 O HETATM 907 O HOH A 349 9.128 -12.183 -7.260 1.00 0.00 O HETATM 910 O HOH A 350 -12.244 3.932 0.839 1.00 0.00 O HETATM 913 O HOH A 351 10.135 -8.763 -5.164 1.00 0.00 O HETATM 916 O HOH A 352 1.357 -11.000 -5.119 1.00 0.00 O HETATM 919 O HOH A 353 8.749 -6.317 1.939 1.00 0.00 O HETATM 922 O HOH A 354 -17.283 -8.122 -3.111 1.00 0.00 O HETATM 925 O HOH A 355 6.831 -7.495 -3.357 1.00 0.00 O HETATM 928 O HOH A 356 -14.772 1.287 -1.535 1.00 0.00 O HETATM 931 O HOH A 357 -16.568 -7.849 -0.371 1.00 0.00 O HETATM 934 O HOH A 358 -1.016 -8.439 -2.024 1.00 0.00 O HETATM 937 O HOH A 359 4.422 -2.607 6.662 1.00 0.00 O HETATM 940 O HOH A 360 0.291 1.724 11.613 1.00 0.00 O HETATM 943 O HOH A 361 -5.116 1.295 -9.960 1.00 0.00 O HETATM 946 O HOH A 362 -3.340 -13.332 -2.850 1.00 0.00 O HETATM 949 O HOH A 363 1.027 -0.966 12.011 1.00 0.00 O HETATM 952 O HOH A 364 -12.961 -3.118 -7.103 1.00 0.00 O HETATM 955 O HOH A 365 10.991 -2.016 -4.898 1.00 0.00 O HETATM 958 O HOH A 366 11.889 -9.071 -9.048 1.00 0.00 O HETATM 961 O HOH A 367 -3.496 -9.669 -1.743 1.00 0.00 O HETATM 964 O HOH A 368 4.824 -10.563 -0.805 1.00 0.00 O HETATM 967 O HOH A 369 -8.748 -0.998 10.806 1.00 0.00 O HETATM 970 O HOH A 370 11.487 -4.672 -5.068 1.00 0.00 O HETATM 973 O HOH A 371 2.162 6.234 -7.275 1.00 0.00 O HETATM 976 O HOH A 372 11.242 -10.594 -6.911 1.00 0.00 O HETATM 979 O HOH A 373 -8.713 -9.272 -10.277 1.00 0.00 O HETATM 982 O HOH A 374 -7.802 -12.955 -1.764 1.00 0.00 O HETATM 985 O HOH A 375 4.457 7.038 -8.506 1.00 0.00 O HETATM 988 O HOH A 376 -5.978 4.750 -5.355 1.00 0.00 O HETATM 991 O HOH A 377 8.346 -6.069 -1.280 1.00 0.00 O HETATM 994 O HOH A 378 -3.080 2.840 -12.165 1.00 0.00 O HETATM 997 O HOH A 379 -14.174 -2.591 -4.623 1.00 0.00 O HETATM 1000 O HOH A 380 -8.929 -13.609 0.639 1.00 0.00 O HETATM 1003 O HOH A 381 -12.647 -5.484 5.895 1.00 0.00 O HETATM 1006 O HOH A 382 -1.208 -9.997 3.625 1.00 0.00 O HETATM 1009 O HOH A 383 -8.058 -12.271 2.792 1.00 0.00 O HETATM 1012 O HOH A 384 -2.140 5.339 -8.113 1.00 0.00 O HETATM 1015 O HOH A 385 7.300 -9.609 -1.626 1.00 0.00 O HETATM 1018 O HOH A 386 -1.700 -11.641 -1.410 1.00 0.00 O HETATM 1021 O HOH A 387 -1.065 -11.025 1.141 1.00 0.00 O HETATM 1024 O HOH A 388 -5.171 3.581 -8.582 1.00 0.00 O HETATM 1027 O HOH A 389 2.941 8.054 -5.347 1.00 0.00 O HETATM 1030 O HOH A 390 -5.712 -11.796 4.073 1.00 0.00 O HETATM 1033 O HOH A 391 -3.515 4.902 -10.429 1.00 0.00 O HETATM 1036 O HOH A 392 6.250 9.147 -3.729 1.00 0.00 O HETATM 1039 O HOH A 393 -5.287 -13.721 -0.931 1.00 0.00 O HETATM 1042 O HOH A 394 -3.088 -11.256 5.282 1.00 0.00 O HETATM 1045 O HOH A 395 4.438 -0.739 11.312 1.00 0.00 O HETATM 1048 O HOH A 396 5.384 8.562 -6.449 1.00 0.00 O HETATM 1051 O HOH A 397 -1.778 -13.711 0.644 1.00 0.00 O HETATM 1054 O HOH A 398 -4.320 -14.252 1.566 1.00 0.00 O HETATM 1057 O HOH A 399 -5.164 -14.444 4.066 1.00 0.00 O