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 180:sc= -1.67 USER MOD Single : A 68 CYS SG : rot -134:sc= 1.44 USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 2.34 (180deg=1.69) USER MOD Single : A 75 SER OG : rot -102:sc= 2.27 USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 2.85 (180deg=2.38) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -12.649 -8.469 -3.418 1.00 0.00 N ATOM 2 CA PRO A 62 -11.647 -7.408 -3.149 1.00 0.00 C ATOM 3 C PRO A 62 -10.708 -7.770 -1.993 1.00 0.00 C ATOM 4 O PRO A 62 -10.874 -8.822 -1.376 1.00 0.00 O ATOM 5 CB PRO A 62 -12.425 -6.108 -2.905 1.00 0.00 C ATOM 6 CG PRO A 62 -13.638 -6.300 -3.809 1.00 0.00 C ATOM 7 CD PRO A 62 -13.940 -7.778 -3.608 1.00 0.00 C ATOM 0 HA PRO A 62 -10.982 -7.287 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.708 -5.991 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.846 -5.226 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.474 -5.667 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.414 -6.065 -4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.585 -7.924 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.469 -8.183 -4.471 1.00 0.00 H new ATOM 15 N PHE A 63 -9.809 -6.856 -1.625 1.00 0.00 N ATOM 16 CA PHE A 63 -8.969 -6.965 -0.427 1.00 0.00 C ATOM 17 C PHE A 63 -8.959 -5.654 0.373 1.00 0.00 C ATOM 18 O PHE A 63 -9.606 -4.682 -0.015 1.00 0.00 O ATOM 19 CB PHE A 63 -7.557 -7.439 -0.834 1.00 0.00 C ATOM 20 CG PHE A 63 -7.184 -8.727 -0.131 1.00 0.00 C ATOM 21 CD1 PHE A 63 -7.524 -9.964 -0.709 1.00 0.00 C ATOM 22 CD2 PHE A 63 -6.620 -8.687 1.158 1.00 0.00 C ATOM 23 CE1 PHE A 63 -7.311 -11.156 0.004 1.00 0.00 C ATOM 24 CE2 PHE A 63 -6.439 -9.876 1.880 1.00 0.00 C ATOM 25 CZ PHE A 63 -6.784 -11.111 1.306 1.00 0.00 C ATOM 0 H PHE A 63 -9.640 -6.004 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.389 -7.713 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.518 -7.587 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.828 -6.666 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.949 -9.997 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.327 -7.742 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.552 -12.107 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.033 -9.842 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.644 -12.025 1.865 1.00 0.00 H new ATOM 35 N ALA A 64 -8.218 -5.614 1.481 1.00 0.00 N ATOM 36 CA ALA A 64 -7.999 -4.415 2.288 1.00 0.00 C ATOM 37 C ALA A 64 -6.572 -4.368 2.873 1.00 0.00 C ATOM 38 O ALA A 64 -5.822 -5.350 2.796 1.00 0.00 O ATOM 39 CB ALA A 64 -9.070 -4.354 3.386 1.00 0.00 C ATOM 0 H ALA A 64 -7.742 -6.437 1.851 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.090 -3.535 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.917 -3.463 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.058 -4.315 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.996 -5.241 4.016 1.00 0.00 H new ATOM 45 N CYS A 65 -6.150 -3.176 3.290 1.00 0.00 N ATOM 46 CA CYS A 65 -4.870 -2.908 3.947 1.00 0.00 C ATOM 47 C CYS A 65 -5.023 -2.917 5.480 1.00 0.00 C ATOM 48 O CYS A 65 -6.039 -2.442 6.002 1.00 0.00 O ATOM 49 CB CYS A 65 -4.358 -1.548 3.451 1.00 0.00 C ATOM 50 SG CYS A 65 -4.272 -1.549 1.639 1.00 0.00 S ATOM 0 H CYS A 65 -6.714 -2.334 3.175 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.152 -3.689 3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.021 -0.753 3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.373 -1.344 3.871 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.840 -0.395 1.224 1.00 0.00 H new ATOM 55 N ASP A 66 -3.943 -3.238 6.205 1.00 0.00 N ATOM 56 CA ASP A 66 -3.811 -2.904 7.634 1.00 0.00 C ATOM 57 C ASP A 66 -3.481 -1.416 7.827 1.00 0.00 C ATOM 58 O ASP A 66 -4.288 -0.690 8.410 1.00 0.00 O ATOM 59 CB ASP A 66 -2.739 -3.784 8.321 1.00 0.00 C ATOM 60 CG ASP A 66 -1.319 -3.636 7.756 1.00 0.00 C ATOM 61 OD1 ASP A 66 -1.183 -3.623 6.509 1.00 0.00 O ATOM 62 OD2 ASP A 66 -0.351 -3.972 8.472 1.00 0.00 O ATOM 0 H ASP A 66 -3.138 -3.734 5.822 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.773 -3.108 8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.718 -3.542 9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.040 -4.828 8.238 1.00 0.00 H new ATOM 67 N ILE A 67 -2.431 -0.934 7.142 1.00 0.00 N ATOM 68 CA ILE A 67 -1.849 0.407 7.345 1.00 0.00 C ATOM 69 C ILE A 67 -2.865 1.528 7.083 1.00 0.00 C ATOM 70 O ILE A 67 -3.221 2.276 7.998 1.00 0.00 O ATOM 71 CB ILE A 67 -0.576 0.565 6.468 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.567 -0.377 6.910 1.00 0.00 C ATOM 73 CG2 ILE A 67 -0.062 2.016 6.404 1.00 0.00 C ATOM 74 CD1 ILE A 67 1.180 -0.093 8.289 1.00 0.00 C ATOM 0 H ILE A 67 -1.953 -1.473 6.419 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.565 0.499 8.393 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.891 0.279 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.190 -1.400 6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.361 -0.327 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.828 2.059 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.835 2.658 5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.185 2.359 7.409 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.970 -0.816 8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.597 0.914 8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.408 -0.175 9.054 1.00 0.00 H new ATOM 86 N CYS A 68 -3.444 1.517 5.877 1.00 0.00 N ATOM 87 CA CYS A 68 -4.368 2.529 5.380 1.00 0.00 C ATOM 88 C CYS A 68 -5.824 2.352 5.874 1.00 0.00 C ATOM 89 O CYS A 68 -6.684 3.150 5.485 1.00 0.00 O ATOM 90 CB CYS A 68 -4.303 2.458 3.844 1.00 0.00 C ATOM 91 SG CYS A 68 -2.578 2.536 3.285 1.00 0.00 S ATOM 0 H CYS A 68 -3.272 0.774 5.200 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.066 3.503 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.764 1.534 3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.871 3.281 3.410 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.479 3.377 2.298 1.00 0.00 H new ATOM 96 N GLY A 69 -6.151 1.145 6.361 1.00 0.00 N ATOM 97 CA GLY A 69 -7.504 0.646 6.677 1.00 0.00 C ATOM 98 C GLY A 69 -8.470 0.462 5.494 1.00 0.00 C ATOM 99 O GLY A 69 -9.624 0.074 5.689 1.00 0.00 O ATOM 0 H GLY A 69 -5.435 0.446 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.402 -0.313 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.963 1.335 7.386 1.00 0.00 H new ATOM 103 N ARG A 70 -8.076 0.898 4.294 1.00 0.00 N ATOM 104 CA ARG A 70 -8.928 1.010 3.097 1.00 0.00 C ATOM 105 C ARG A 70 -9.081 -0.318 2.356 1.00 0.00 C ATOM 106 O ARG A 70 -8.155 -1.129 2.325 1.00 0.00 O ATOM 107 CB ARG A 70 -8.360 2.110 2.187 1.00 0.00 C ATOM 108 CG ARG A 70 -8.748 3.486 2.742 1.00 0.00 C ATOM 109 CD ARG A 70 -7.957 4.620 2.089 1.00 0.00 C ATOM 110 NE ARG A 70 -8.409 5.924 2.594 1.00 0.00 N ATOM 111 CZ ARG A 70 -8.035 6.525 3.708 1.00 0.00 C ATOM 112 NH1 ARG A 70 -7.191 6.014 4.559 1.00 0.00 N ATOM 113 NH2 ARG A 70 -8.575 7.658 4.028 1.00 0.00 N ATOM 0 H ARG A 70 -7.116 1.196 4.118 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.936 1.282 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.275 2.023 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.745 1.993 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.814 3.652 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.579 3.502 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.894 4.494 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.080 4.580 1.007 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.089 6.421 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.779 5.098 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.942 6.530 5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.281 8.076 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.294 8.132 4.886 1.00 0.00 H new ATOM 127 N LYS A 71 -10.187 -0.456 1.621 1.00 0.00 N ATOM 128 CA LYS A 71 -10.412 -1.537 0.647 1.00 0.00 C ATOM 129 C LYS A 71 -9.663 -1.255 -0.661 1.00 0.00 C ATOM 130 O LYS A 71 -9.428 -0.094 -1.012 1.00 0.00 O ATOM 131 CB LYS A 71 -11.919 -1.728 0.399 1.00 0.00 C ATOM 132 CG LYS A 71 -12.723 -1.929 1.699 1.00 0.00 C ATOM 133 CD LYS A 71 -14.203 -2.253 1.455 1.00 0.00 C ATOM 134 CE LYS A 71 -14.385 -3.701 0.992 1.00 0.00 C ATOM 135 NZ LYS A 71 -15.813 -4.007 0.756 1.00 0.00 N ATOM 0 H LYS A 71 -10.971 0.193 1.685 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.017 -2.465 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.307 -0.858 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.068 -2.590 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.272 -2.737 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.651 -1.026 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.770 -2.088 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.607 -1.575 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.818 -3.868 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.983 -4.380 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.971 -5.029 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.397 -3.493 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.076 -3.714 -0.206 1.00 0.00 H new ATOM 149 N PHE A 72 -9.320 -2.297 -1.415 1.00 0.00 N ATOM 150 CA PHE A 72 -8.517 -2.190 -2.634 1.00 0.00 C ATOM 151 C PHE A 72 -8.754 -3.349 -3.616 1.00 0.00 C ATOM 152 O PHE A 72 -9.284 -4.408 -3.260 1.00 0.00 O ATOM 153 CB PHE A 72 -7.024 -2.067 -2.252 1.00 0.00 C ATOM 154 CG PHE A 72 -6.229 -1.157 -3.173 1.00 0.00 C ATOM 155 CD1 PHE A 72 -5.345 -1.685 -4.135 1.00 0.00 C ATOM 156 CD2 PHE A 72 -6.392 0.239 -3.072 1.00 0.00 C ATOM 157 CE1 PHE A 72 -4.647 -0.824 -5.001 1.00 0.00 C ATOM 158 CE2 PHE A 72 -5.687 1.100 -3.934 1.00 0.00 C ATOM 159 CZ PHE A 72 -4.819 0.568 -4.902 1.00 0.00 C ATOM 0 H PHE A 72 -9.595 -3.254 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.833 -1.292 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.949 -1.691 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.574 -3.060 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.203 -2.753 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.061 0.650 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.978 -1.233 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.813 2.169 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.284 1.228 -5.569 1.00 0.00 H new ATOM 169 N ALA A 73 -8.256 -3.158 -4.839 1.00 0.00 N ATOM 170 CA ALA A 73 -8.003 -4.223 -5.804 1.00 0.00 C ATOM 171 C ALA A 73 -6.740 -5.043 -5.429 1.00 0.00 C ATOM 172 O ALA A 73 -6.278 -5.002 -4.285 1.00 0.00 O ATOM 173 CB ALA A 73 -7.898 -3.544 -7.178 1.00 0.00 C ATOM 0 H ALA A 73 -8.012 -2.233 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.810 -4.956 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.708 -4.297 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.832 -3.028 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.079 -2.824 -7.167 1.00 0.00 H new ATOM 179 N ARG A 74 -6.182 -5.790 -6.394 1.00 0.00 N ATOM 180 CA ARG A 74 -4.958 -6.593 -6.234 1.00 0.00 C ATOM 181 C ARG A 74 -3.712 -5.861 -6.731 1.00 0.00 C ATOM 182 O ARG A 74 -2.886 -5.487 -5.908 1.00 0.00 O ATOM 183 CB ARG A 74 -5.195 -7.957 -6.898 1.00 0.00 C ATOM 184 CG ARG A 74 -3.962 -8.861 -7.038 1.00 0.00 C ATOM 185 CD ARG A 74 -4.486 -10.235 -7.471 1.00 0.00 C ATOM 186 NE ARG A 74 -3.472 -11.100 -8.083 1.00 0.00 N ATOM 187 CZ ARG A 74 -2.657 -11.894 -7.434 1.00 0.00 C ATOM 188 NH1 ARG A 74 -2.227 -12.951 -8.048 1.00 0.00 N ATOM 189 NH2 ARG A 74 -2.282 -11.682 -6.208 1.00 0.00 N ATOM 0 H ARG A 74 -6.579 -5.855 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.750 -6.759 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.950 -8.493 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.612 -7.788 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.267 -8.460 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.421 -8.930 -6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.903 -10.743 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.302 -10.093 -8.180 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.395 -11.082 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.525 -13.141 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.591 -13.593 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.625 -10.864 -5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.645 -12.333 -5.750 1.00 0.00 H new ATOM 203 N SER A 75 -3.681 -5.490 -8.016 1.00 0.00 N ATOM 204 CA SER A 75 -2.663 -4.608 -8.616 1.00 0.00 C ATOM 205 C SER A 75 -1.217 -5.008 -8.291 1.00 0.00 C ATOM 206 O SER A 75 -0.508 -4.289 -7.596 1.00 0.00 O ATOM 207 CB SER A 75 -2.931 -3.143 -8.246 1.00 0.00 C ATOM 208 OG SER A 75 -4.124 -2.714 -8.866 1.00 0.00 O ATOM 0 H SER A 75 -4.381 -5.802 -8.689 1.00 0.00 H new ATOM 0 HA SER A 75 -2.760 -4.728 -9.695 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.013 -3.039 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.097 -2.517 -8.565 1.00 0.00 H new ATOM 0 HG SER A 75 -3.907 -2.175 -9.655 1.00 0.00 H new HETATM 214 N OUD A 76 -0.719 -6.102 -8.900 1.00 0.00 N HETATM 215 CA OUD A 76 0.697 -6.497 -8.769 1.00 0.00 C HETATM 216 C OUD A 76 1.434 -3.293 -9.673 1.00 0.00 C HETATM 217 O OUD A 76 2.608 -2.952 -9.638 1.00 0.00 O HETATM 218 CB OUD A 76 0.826 -8.041 -8.783 1.00 0.00 C HETATM 219 CG OUD A 76 1.986 -8.537 -7.949 1.00 0.00 C HETATM 220 OD1 OUD A 76 1.789 -8.763 -6.775 1.00 0.00 O HETATM 221 OD2 OUD A 76 2.992 -8.884 -8.523 1.00 0.00 O HETATM 222 CM OUD A 76 1.609 -5.817 -9.836 1.00 0.00 C HETATM 223 N2 OUD A 76 1.119 -4.507 -10.317 1.00 0.00 N HETATM 231 N OUE A 77 0.427 -2.317 -9.853 1.00 0.00 N HETATM 232 CA OUE A 77 0.563 -0.886 -9.516 1.00 0.00 C HETATM 233 C OUE A 77 -0.416 -1.446 -5.845 1.00 0.00 C HETATM 234 O OUE A 77 -0.330 -0.447 -5.142 1.00 0.00 O HETATM 235 CB OUE A 77 -0.095 -0.052 -10.643 1.00 0.00 C HETATM 236 CG OUE A 77 -0.073 1.479 -10.423 1.00 0.00 C HETATM 237 CD OUE A 77 1.323 2.048 -10.488 1.00 0.00 C HETATM 238 OE1 OUE A 77 1.668 2.583 -11.523 1.00 0.00 O HETATM 239 OE2 OUE A 77 2.047 1.896 -9.532 1.00 0.00 O HETATM 240 CM OUE A 77 -0.063 -0.517 -8.144 1.00 0.00 C HETATM 241 N2 OUE A 77 0.232 -1.486 -7.092 1.00 0.00 N HETATM 251 N OUK A 78 -0.545 -2.716 -5.253 1.00 0.00 N HETATM 252 CA OUK A 78 0.382 -3.198 -4.222 1.00 0.00 C HETATM 253 C OUK A 78 3.332 -2.541 -5.790 1.00 0.00 C HETATM 254 O OUK A 78 4.044 -2.602 -4.795 1.00 0.00 O HETATM 255 CB OUK A 78 -0.374 -4.091 -3.204 1.00 0.00 C HETATM 256 CG OUK A 78 -1.527 -3.374 -2.458 1.00 0.00 C HETATM 257 CD OUK A 78 -2.231 -4.350 -1.486 1.00 0.00 C HETATM 258 CE OUK A 78 -3.282 -3.632 -0.611 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.772 -4.414 0.587 1.00 0.00 N HETATM 260 CM OUK A 78 1.526 -4.061 -4.825 1.00 0.00 C HETATM 261 N2 OUK A 78 2.264 -3.449 -5.940 1.00 0.00 N HETATM 278 N OUR A 79 3.891 -2.133 -7.019 1.00 0.00 N HETATM 279 CA OUR A 79 4.844 -1.015 -7.125 1.00 0.00 C HETATM 280 C OUR A 79 3.114 1.417 -5.415 1.00 0.00 C HETATM 281 O OUR A 79 4.167 1.405 -4.783 1.00 0.00 O HETATM 282 CB OUR A 79 5.898 -1.263 -8.232 1.00 0.00 C HETATM 283 CG OUR A 79 6.618 -2.628 -8.132 1.00 0.00 C HETATM 284 CD OUR A 79 7.691 -2.740 -9.237 1.00 0.00 C HETATM 285 NE OUR A 79 8.026 -4.153 -9.470 1.00 0.00 N HETATM 286 CZ OUR A 79 8.983 -4.886 -8.890 1.00 0.00 C HETATM 287 NH1 OUR A 79 8.975 -6.203 -9.110 1.00 0.00 N HETATM 288 NH2 OUR A 79 10.085 -4.324 -8.369 1.00 0.00 N HETATM 289 CM OUR A 79 4.123 0.321 -7.434 1.00 0.00 C HETATM 290 N2 OUR A 79 2.989 0.596 -6.547 1.00 0.00 N HETATM 307 N OUH A 80 1.878 1.586 -4.752 1.00 0.00 N HETATM 308 CA OUH A 80 1.785 1.986 -3.345 1.00 0.00 C HETATM 309 C OUH A 80 3.501 -0.651 -1.492 1.00 0.00 C HETATM 310 O OUH A 80 2.963 -0.814 -0.403 1.00 0.00 O HETATM 311 CB OUH A 80 0.664 3.035 -3.121 1.00 0.00 C HETATM 312 CG OUH A 80 -0.621 2.451 -2.602 1.00 0.00 C HETATM 313 CD2 OUH A 80 -0.935 2.362 -1.199 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.558 1.658 -3.193 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.399 1.143 -2.243 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.009 1.551 -1.053 1.00 0.00 N HETATM 317 CM OUH A 80 1.643 0.753 -2.418 1.00 0.00 C HETATM 318 N2 OUH A 80 2.731 -0.211 -2.578 1.00 0.00 N HETATM 329 N OUK A 81 4.499 -1.552 -1.879 1.00 0.00 N HETATM 330 CA OUK A 81 5.811 -1.537 -1.224 1.00 0.00 C HETATM 331 C OUK A 81 7.046 1.353 -2.179 1.00 0.00 C HETATM 332 O OUK A 81 7.407 1.321 -1.008 1.00 0.00 O HETATM 333 CB OUK A 81 6.112 -2.902 -0.561 1.00 0.00 C HETATM 334 CG OUK A 81 5.208 -3.172 0.669 1.00 0.00 C HETATM 335 CD OUK A 81 5.401 -4.611 1.190 1.00 0.00 C HETATM 336 CE OUK A 81 4.495 -4.936 2.394 1.00 0.00 C HETATM 337 NZ OUK A 81 4.935 -4.360 3.714 1.00 0.00 N HETATM 338 CM OUK A 81 6.906 -1.172 -2.253 1.00 0.00 C HETATM 339 N2 OUK A 81 6.705 0.159 -2.843 1.00 0.00 N HETATM 356 N OUI A 82 6.465 2.512 -2.738 1.00 0.00 N HETATM 357 CA OUI A 82 6.217 3.753 -1.985 1.00 0.00 C HETATM 358 C OUI A 82 3.325 2.980 0.165 1.00 0.00 C HETATM 359 O OUI A 82 2.234 3.511 -0.030 1.00 0.00 O HETATM 360 CB OUI A 82 6.839 5.012 -2.657 1.00 0.00 C HETATM 361 CG1 OUI A 82 6.325 5.235 -4.109 1.00 0.00 C HETATM 362 CG2 OUI A 82 8.384 4.934 -2.597 1.00 0.00 C HETATM 363 CD1 OUI A 82 6.826 6.556 -4.727 1.00 0.00 C HETATM 364 CM OUI A 82 4.713 3.941 -1.682 1.00 0.00 C HETATM 365 N2 OUI A 82 4.170 2.801 -0.937 1.00 0.00 N HETATM 380 N OUH A 83 3.327 1.851 0.987 1.00 0.00 N HETATM 381 CA OUH A 83 3.472 1.984 2.440 1.00 0.00 C HETATM 382 C OUH A 83 6.994 0.934 2.709 1.00 0.00 C HETATM 383 O OUH A 83 7.293 1.055 3.879 1.00 0.00 O HETATM 384 CB OUH A 83 3.009 0.701 3.173 1.00 0.00 C HETATM 385 CG OUH A 83 1.668 0.202 2.711 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.570 1.032 2.283 1.00 0.00 C HETATM 387 ND1 OUH A 83 1.230 -1.067 2.469 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.030 -1.026 1.933 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.405 0.226 1.811 1.00 0.00 N HETATM 390 CM OUH A 83 4.931 2.326 2.823 1.00 0.00 C HETATM 391 N2 OUH A 83 5.893 1.451 2.146 1.00 0.00 N ATOM 402 N ARG A 84 7.778 0.348 1.790 1.00 0.00 N ATOM 403 CA ARG A 84 9.199 0.022 2.018 1.00 0.00 C ATOM 404 C ARG A 84 10.077 1.285 2.103 1.00 0.00 C ATOM 405 O ARG A 84 11.122 1.255 2.752 1.00 0.00 O ATOM 406 CB ARG A 84 9.628 -0.899 0.866 1.00 0.00 C ATOM 407 CG ARG A 84 11.070 -1.408 0.967 1.00 0.00 C ATOM 408 CD ARG A 84 11.353 -2.335 -0.214 1.00 0.00 C ATOM 409 NE ARG A 84 12.774 -2.714 -0.251 1.00 0.00 N ATOM 410 CZ ARG A 84 13.447 -3.114 -1.312 1.00 0.00 C ATOM 411 NH1 ARG A 84 14.643 -3.602 -1.179 1.00 0.00 N ATOM 412 NH2 ARG A 84 12.932 -3.068 -2.507 1.00 0.00 N ATOM 0 H ARG A 84 7.444 0.085 0.863 1.00 0.00 H new ATOM 0 HA ARG A 84 9.328 -0.477 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.955 -1.755 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.510 -0.363 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.767 -0.570 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.217 -1.940 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.735 -3.230 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.080 -1.839 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 84 13.288 -2.662 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.063 -3.676 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.162 -3.911 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.984 -2.716 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.476 -3.384 -3.309 1.00 0.00 H new ATOM 426 N LYS A 85 9.579 2.381 1.532 1.00 0.00 N ATOM 427 CA LYS A 85 9.872 3.780 1.822 1.00 0.00 C ATOM 428 C LYS A 85 8.522 4.508 1.773 1.00 0.00 C ATOM 429 O LYS A 85 7.605 4.015 1.116 1.00 0.00 O ATOM 430 CB LYS A 85 10.912 4.322 0.807 1.00 0.00 C ATOM 431 CG LYS A 85 10.915 5.859 0.654 1.00 0.00 C ATOM 432 CD LYS A 85 12.075 6.427 -0.176 1.00 0.00 C ATOM 433 CE LYS A 85 11.786 7.884 -0.583 1.00 0.00 C ATOM 434 NZ LYS A 85 11.423 8.757 0.560 1.00 0.00 N ATOM 0 H LYS A 85 8.893 2.301 0.781 1.00 0.00 H new ATOM 0 HA LYS A 85 10.326 3.930 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.906 3.998 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.719 3.873 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.975 6.165 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.945 6.308 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.999 6.381 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.225 5.817 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.665 8.295 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.975 7.895 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.490 9.754 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.450 8.548 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.075 8.582 1.351 1.00 0.00 H new ATOM 448 N ASP A 86 8.407 5.657 2.436 1.00 0.00 N ATOM 449 CA ASP A 86 7.328 6.626 2.222 1.00 0.00 C ATOM 450 C ASP A 86 7.855 7.898 1.544 1.00 0.00 C ATOM 451 O ASP A 86 9.021 8.281 1.793 1.00 0.00 O ATOM 452 CB ASP A 86 6.627 6.874 3.573 1.00 0.00 C ATOM 453 CG ASP A 86 5.542 7.966 3.530 1.00 0.00 C ATOM 454 OD1 ASP A 86 4.361 7.626 3.795 1.00 0.00 O ATOM 455 OD2 ASP A 86 5.935 9.140 3.743 1.00 0.00 O ATOM 456 OXT ASP A 86 7.186 8.396 0.615 1.00 0.00 O ATOM 0 H ASP A 86 9.073 5.948 3.151 1.00 0.00 H new ATOM 0 HA ASP A 86 6.583 6.234 1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.175 5.942 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.377 7.152 4.313 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.601 0.896 0.927 1.00 0.00 ZN HETATM 463 O HOH A 201 9.855 10.520 2.660 1.00 0.00 O HETATM 466 O HOH A 202 1.968 7.971 2.812 1.00 0.00 O HETATM 469 O HOH A 203 6.559 10.724 1.762 1.00 0.00 O HETATM 472 O HOH A 204 7.645 9.568 5.677 1.00 0.00 O HETATM 475 O HOH A 205 5.112 -9.276 -7.012 1.00 0.00 O HETATM 478 O HOH A 206 -11.431 1.237 7.220 1.00 0.00 O HETATM 481 O HOH A 207 0.728 1.721 -13.844 1.00 0.00 O HETATM 484 O HOH A 208 5.552 8.819 -1.433 1.00 0.00 O HETATM 487 O HOH A 209 -3.498 -2.023 -11.353 1.00 0.00 O HETATM 490 O HOH A 210 -6.698 -0.663 9.585 1.00 0.00 O HETATM 493 O HOH A 211 -10.279 2.456 -1.099 1.00 0.00 O HETATM 496 O HOH A 212 2.373 7.317 5.586 1.00 0.00 O HETATM 499 O HOH A 213 12.707 -0.588 3.919 1.00 0.00 O HETATM 502 O HOH A 214 -8.390 -3.036 7.187 1.00 0.00 O HETATM 505 O HOH A 215 -0.559 -9.503 -5.665 1.00 0.00 O HETATM 508 O HOH A 216 -0.042 -6.134 6.879 1.00 0.00 O HETATM 511 O HOH A 217 -6.314 -3.391 -10.357 1.00 0.00 O HETATM 514 O HOH A 218 1.953 -3.425 7.072 1.00 0.00 O HETATM 517 O HOH A 219 3.678 -8.420 -4.788 1.00 0.00 O HETATM 520 O HOH A 220 13.764 -4.654 -4.622 1.00 0.00 O HETATM 523 O HOH A 221 -10.659 -10.495 0.825 1.00 0.00 O HETATM 526 O HOH A 222 -1.481 -5.691 1.553 1.00 0.00 O HETATM 529 O HOH A 223 -3.262 -12.501 -10.606 1.00 0.00 O HETATM 532 O HOH A 224 -0.047 4.707 -10.896 1.00 0.00 O HETATM 535 O HOH A 225 -11.116 -9.799 -5.364 1.00 0.00 O HETATM 538 O HOH A 226 -16.570 -6.647 1.365 1.00 0.00 O HETATM 541 O HOH A 227 4.120 -2.466 5.630 1.00 0.00 O HETATM 544 O HOH A 228 -7.025 9.475 5.556 1.00 0.00 O HETATM 547 O HOH A 229 -17.423 -4.110 -1.579 1.00 0.00 O HETATM 550 O HOH A 230 -17.410 -3.953 3.105 1.00 0.00 O HETATM 553 O HOH A 231 -3.817 -7.149 -0.206 1.00 0.00 O HETATM 556 O HOH A 232 0.342 -13.595 -6.981 1.00 0.00 O HETATM 559 O HOH A 233 7.738 -3.921 4.050 1.00 0.00 O HETATM 562 O HOH A 234 9.485 0.270 5.537 1.00 0.00 O HETATM 565 O HOH A 235 -1.977 -14.301 -5.086 1.00 0.00 O HETATM 568 O HOH A 236 11.774 11.394 -0.519 1.00 0.00 O HETATM 571 O HOH A 237 13.893 -2.768 2.399 1.00 0.00 O HETATM 574 O HOH A 238 16.852 -4.473 -2.812 1.00 0.00 O HETATM 577 O HOH A 239 10.400 -1.817 -6.978 1.00 0.00 O HETATM 580 O HOH A 240 7.518 -4.831 -12.229 1.00 0.00 O HETATM 583 O HOH A 241 3.505 0.353 -11.500 1.00 0.00 O HETATM 586 O HOH A 242 -6.890 7.232 7.170 1.00 0.00 O HETATM 589 O HOH A 243 1.832 -11.489 -7.999 1.00 0.00 O HETATM 592 O HOH A 244 11.814 -6.803 -9.242 1.00 0.00 O HETATM 595 O HOH A 245 -11.977 1.732 0.931 1.00 0.00 O HETATM 598 O HOH A 246 -13.641 -10.300 -1.359 1.00 0.00 O HETATM 601 O HOH A 247 2.181 -4.708 4.667 1.00 0.00 O HETATM 604 O HOH A 248 -10.811 8.220 2.197 1.00 0.00 O HETATM 607 O HOH A 249 3.442 -3.635 -12.402 1.00 0.00 O HETATM 610 O HOH A 250 4.086 -6.017 6.046 1.00 0.00 O HETATM 613 O HOH A 251 13.358 8.404 2.853 1.00 0.00 O HETATM 616 O HOH A 252 2.338 -3.333 9.726 1.00 0.00 O HETATM 619 O HOH A 253 7.399 -7.753 -7.029 1.00 0.00 O HETATM 622 O HOH A 254 6.733 -6.015 5.588 1.00 0.00 O HETATM 625 O HOH A 255 -12.058 -1.829 5.960 1.00 0.00 O HETATM 628 O HOH A 256 14.375 9.781 0.814 1.00 0.00 O HETATM 631 O HOH A 257 -8.518 8.990 1.158 1.00 0.00 O HETATM 634 O HOH A 258 -6.646 -5.921 -9.532 1.00 0.00 O HETATM 637 O HOH A 259 -1.487 1.693 10.603 1.00 0.00 O HETATM 640 O HOH A 260 3.775 10.295 1.706 1.00 0.00 O HETATM 643 O HOH A 261 -17.686 -1.387 0.575 1.00 0.00 O HETATM 646 O HOH A 262 -4.573 -7.424 -10.477 1.00 0.00 O HETATM 649 O HOH A 263 -0.277 -15.377 -9.012 1.00 0.00 O HETATM 652 O HOH A 264 -14.705 -10.491 -4.977 1.00 0.00 O HETATM 655 O HOH A 265 -9.140 5.638 7.309 1.00 0.00 O HETATM 658 O HOH A 266 -6.841 7.241 -0.115 1.00 0.00 O HETATM 661 O HOH A 267 -4.684 -7.849 4.826 1.00 0.00 O HETATM 664 O HOH A 268 -14.165 -3.245 -2.159 1.00 0.00 O HETATM 667 O HOH A 269 10.216 9.000 4.943 1.00 0.00 O HETATM 670 O HOH A 270 17.206 -5.814 -0.522 1.00 0.00 O HETATM 673 O HOH A 271 -10.211 -11.465 -3.510 1.00 0.00 O HETATM 676 O HOH A 272 -11.684 6.151 3.790 1.00 0.00 O HETATM 679 O HOH A 273 -7.575 10.879 3.217 1.00 0.00 O HETATM 682 O HOH A 274 -11.216 7.165 6.273 1.00 0.00 O HETATM 685 O HOH A 275 -13.233 -9.414 1.153 1.00 0.00 O HETATM 688 O HOH A 276 -4.080 0.430 -10.538 1.00 0.00 O HETATM 691 O HOH A 277 9.221 10.965 -1.199 1.00 0.00 O HETATM 694 O HOH A 278 -10.789 -0.646 -5.222 1.00 0.00 O HETATM 697 O HOH A 279 9.739 -0.994 -4.405 1.00 0.00 O HETATM 700 O HOH A 280 17.818 -2.051 -2.123 1.00 0.00 O HETATM 703 O HOH A 281 -4.905 6.402 1.569 1.00 0.00 O HETATM 706 O HOH A 282 -6.552 -11.455 -10.156 1.00 0.00 O HETATM 709 O HOH A 283 11.523 6.765 4.201 1.00 0.00 O HETATM 712 O HOH A 284 11.652 4.250 5.062 1.00 0.00 O HETATM 715 O HOH A 285 9.845 -8.378 -6.089 1.00 0.00 O HETATM 718 O HOH A 286 -12.351 2.709 5.054 1.00 0.00 O HETATM 721 O HOH A 287 6.219 -5.517 -6.077 1.00 0.00 O HETATM 724 O HOH A 288 -11.997 -12.498 -1.708 1.00 0.00 O HETATM 727 O HOH A 289 -16.857 -1.535 -2.041 1.00 0.00 O HETATM 730 O HOH A 290 5.890 -7.965 2.636 1.00 0.00 O HETATM 733 O HOH A 291 -3.897 -15.906 -6.150 1.00 0.00 O HETATM 736 O HOH A 292 -2.317 -8.011 -11.896 1.00 0.00 O HETATM 739 O HOH A 293 -6.881 -12.976 -7.886 1.00 0.00 O HETATM 742 O HOH A 294 12.027 -6.465 -5.723 1.00 0.00 O HETATM 745 O HOH A 295 -5.207 -13.009 -3.934 1.00 0.00 O HETATM 748 O HOH A 296 -6.304 0.575 -9.009 1.00 0.00 O HETATM 751 O HOH A 297 14.927 0.200 2.506 1.00 0.00 O HETATM 754 O HOH A 298 17.286 -4.423 1.751 1.00 0.00 O HETATM 757 O HOH A 299 10.201 -2.277 -12.303 1.00 0.00 O HETATM 760 O HOH A 300 5.213 -1.575 -12.429 1.00 0.00 O HETATM 763 O HOH A 301 8.679 1.256 -6.224 1.00 0.00 O HETATM 766 O HOH A 302 11.374 -0.936 -10.246 1.00 0.00 O HETATM 769 O HOH A 303 -16.343 -6.304 4.132 1.00 0.00 O HETATM 772 O HOH A 304 14.773 9.324 -1.840 1.00 0.00 O HETATM 775 O HOH A 305 -4.029 8.378 3.213 1.00 0.00 O HETATM 778 O HOH A 306 -12.365 -7.052 2.098 1.00 0.00 O HETATM 781 O HOH A 307 10.326 2.542 6.647 1.00 0.00 O HETATM 784 O HOH A 308 10.442 1.662 -4.113 1.00 0.00 O HETATM 787 O HOH A 309 7.633 -2.273 -13.260 1.00 0.00 O HETATM 790 O HOH A 310 -11.008 -1.628 -7.699 1.00 0.00 O HETATM 793 O HOH A 311 9.038 -2.366 5.777 1.00 0.00 O HETATM 796 O HOH A 312 -10.143 3.378 8.406 1.00 0.00 O HETATM 799 O HOH A 313 -1.923 1.458 -13.657 1.00 0.00 O HETATM 802 O HOH A 314 -1.877 -1.231 -13.383 1.00 0.00 O HETATM 805 O HOH A 315 -1.704 6.001 -3.487 1.00 0.00 O HETATM 808 O HOH A 316 -2.036 -10.703 -12.192 1.00 0.00 O HETATM 811 O HOH A 317 6.512 -5.962 -3.422 1.00 0.00 O HETATM 814 O HOH A 318 -9.421 -6.265 -9.320 1.00 0.00 O HETATM 817 O HOH A 319 -7.040 -11.611 -5.540 1.00 0.00 O HETATM 820 O HOH A 320 -10.726 -4.162 6.272 1.00 0.00 O HETATM 823 O HOH A 321 -0.389 -7.465 4.479 1.00 0.00 O HETATM 826 O HOH A 322 0.955 -6.030 2.731 1.00 0.00 O HETATM 829 O HOH A 323 12.239 -8.713 -7.389 1.00 0.00 O HETATM 832 O HOH A 324 16.607 -1.846 2.437 1.00 0.00 O HETATM 835 O HOH A 325 11.044 -6.840 -0.997 1.00 0.00 O HETATM 838 O HOH A 326 -12.411 3.795 2.581 1.00 0.00 O HETATM 841 O HOH A 327 -10.995 -8.040 4.179 1.00 0.00 O HETATM 844 O HOH A 328 -2.696 -8.745 3.226 1.00 0.00 O HETATM 847 O HOH A 329 -1.421 -8.411 0.756 1.00 0.00 O HETATM 850 O HOH A 330 -4.192 5.302 -4.410 1.00 0.00 O HETATM 853 O HOH A 331 -14.343 -0.466 -1.897 1.00 0.00 O HETATM 856 O HOH A 332 -10.104 -13.109 0.294 1.00 0.00 O HETATM 859 O HOH A 333 8.202 -7.688 3.937 1.00 0.00 O HETATM 862 O HOH A 334 8.939 4.060 -6.461 1.00 0.00 O HETATM 865 O HOH A 335 -2.485 5.153 1.998 1.00 0.00 O HETATM 868 O HOH A 336 16.289 -5.376 -5.277 1.00 0.00 O HETATM 871 O HOH A 337 13.853 -2.047 -10.198 1.00 0.00 O HETATM 874 O HOH A 338 8.369 10.199 -3.640 1.00 0.00 O HETATM 877 O HOH A 339 13.960 7.067 -3.137 1.00 0.00 O HETATM 880 O HOH A 340 -4.945 10.791 4.172 1.00 0.00 O HETATM 883 O HOH A 341 4.408 5.634 -7.651 1.00 0.00 O HETATM 886 O HOH A 342 -5.604 -13.534 -11.644 1.00 0.00 O HETATM 889 O HOH A 343 9.467 -5.644 2.709 1.00 0.00 O HETATM 892 O HOH A 344 -0.722 -8.680 7.497 1.00 0.00 O HETATM 895 O HOH A 345 17.032 -0.933 -4.426 1.00 0.00 O HETATM 898 O HOH A 346 -6.303 -15.521 -7.463 1.00 0.00 O HETATM 901 O HOH A 347 10.103 0.547 -8.447 1.00 0.00 O HETATM 904 O HOH A 348 2.460 -1.001 11.188 1.00 0.00 O HETATM 907 O HOH A 349 -0.504 6.679 3.256 1.00 0.00 O HETATM 910 O HOH A 350 -3.058 4.721 -6.874 1.00 0.00 O HETATM 913 O HOH A 351 -19.750 -5.634 -1.903 1.00 0.00 O HETATM 916 O HOH A 352 -9.558 -10.146 3.419 1.00 0.00 O HETATM 919 O HOH A 353 -17.698 -5.952 -3.639 1.00 0.00 O HETATM 922 O HOH A 354 6.391 -7.691 0.016 1.00 0.00 O HETATM 925 O HOH A 355 -13.345 -0.347 -4.406 1.00 0.00 O HETATM 928 O HOH A 356 -14.214 -4.967 -6.932 1.00 0.00 O HETATM 931 O HOH A 357 -6.030 -15.778 -10.198 1.00 0.00 O HETATM 934 O HOH A 358 -7.911 -6.829 8.101 1.00 0.00 O HETATM 937 O HOH A 359 -9.930 -6.794 6.264 1.00 0.00 O HETATM 940 O HOH A 360 15.406 1.523 -2.955 1.00 0.00 O HETATM 943 O HOH A 361 -11.691 -5.721 -7.845 1.00 0.00 O HETATM 946 O HOH A 362 -2.259 5.350 -9.418 1.00 0.00 O HETATM 949 O HOH A 363 -12.534 -5.632 4.525 1.00 0.00 O HETATM 952 O HOH A 364 -10.769 -3.706 -9.521 1.00 0.00 O HETATM 955 O HOH A 365 8.625 -6.084 0.032 1.00 0.00 O HETATM 958 O HOH A 366 -7.982 -12.966 -3.280 1.00 0.00 O HETATM 961 O HOH A 367 -14.772 -1.566 5.562 1.00 0.00 O HETATM 964 O HOH A 368 -9.403 0.074 -9.056 1.00 0.00 O HETATM 967 O HOH A 369 13.097 2.075 -4.272 1.00 0.00 O HETATM 970 O HOH A 370 4.845 -7.852 -2.358 1.00 0.00 O HETATM 973 O HOH A 371 15.474 5.880 2.809 1.00 0.00 O HETATM 976 O HOH A 372 3.773 -9.548 1.862 1.00 0.00 O HETATM 979 O HOH A 373 7.009 5.036 -8.050 1.00 0.00 O HETATM 982 O HOH A 374 12.013 7.871 -5.007 1.00 0.00 O HETATM 985 O HOH A 375 16.239 6.617 -1.733 1.00 0.00 O HETATM 988 O HOH A 376 -5.103 -10.527 5.275 1.00 0.00 O HETATM 991 O HOH A 377 -1.633 -10.755 -0.493 1.00 0.00 O HETATM 994 O HOH A 378 -6.000 6.447 -2.693 1.00 0.00 O HETATM 997 O HOH A 379 1.300 -8.237 1.224 1.00 0.00 O HETATM 1000 O HOH A 380 4.738 9.330 -4.646 1.00 0.00 O HETATM 1003 O HOH A 381 -14.782 -2.955 -4.939 1.00 0.00 O HETATM 1006 O HOH A 382 12.757 4.764 -3.808 1.00 0.00 O HETATM 1009 O HOH A 383 2.952 -9.153 -0.782 1.00 0.00 O HETATM 1012 O HOH A 384 -3.800 -11.272 2.970 1.00 0.00 O HETATM 1015 O HOH A 385 -3.220 -9.582 6.944 1.00 0.00 O HETATM 1018 O HOH A 386 11.244 5.342 -5.957 1.00 0.00 O HETATM 1021 O HOH A 387 10.051 9.602 -5.674 1.00 0.00 O HETATM 1024 O HOH A 388 16.908 5.268 0.570 1.00 0.00 O HETATM 1027 O HOH A 389 3.293 7.825 -6.445 1.00 0.00 O HETATM 1030 O HOH A 390 -8.236 2.457 -8.429 1.00 0.00 O HETATM 1033 O HOH A 391 4.191 1.740 9.771 1.00 0.00 O HETATM 1036 O HOH A 392 -7.537 -11.590 4.667 1.00 0.00 O HETATM 1039 O HOH A 393 -8.218 4.058 -6.244 1.00 0.00 O HETATM 1042 O HOH A 394 -7.972 -14.760 0.419 1.00 0.00 O HETATM 1045 O HOH A 395 -8.432 -15.346 -2.160 1.00 0.00 O HETATM 1048 O HOH A 396 -3.084 -12.727 0.732 1.00 0.00 O HETATM 1051 O HOH A 397 16.305 3.735 -1.735 1.00 0.00 O HETATM 1054 O HOH A 398 -5.274 -14.266 1.080 1.00 0.00 O HETATM 1057 O HOH A 399 -7.036 -15.728 2.878 1.00 0.00 O