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= -1.74 USER MOD Single : A 68 CYS SG : rot 42:sc= 2.65 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 3.44 (180deg=2.77) USER MOD Single : A 75 SER OG : rot -136:sc= 0.151 USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 0.798 (180deg=0.796) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 62 -12.378 -7.840 -3.411 1.00 0.00 N ATOM 2 CA PRO A 62 -11.407 -6.869 -2.854 1.00 0.00 C ATOM 3 C PRO A 62 -10.597 -7.463 -1.699 1.00 0.00 C ATOM 4 O PRO A 62 -11.002 -8.470 -1.116 1.00 0.00 O ATOM 5 CB PRO A 62 -12.201 -5.619 -2.429 1.00 0.00 C ATOM 6 CG PRO A 62 -13.664 -5.966 -2.718 1.00 0.00 C ATOM 7 CD PRO A 62 -13.523 -7.011 -3.815 1.00 0.00 C ATOM 0 HA PRO A 62 -10.667 -6.602 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.049 -5.394 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.885 -4.740 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.172 -6.362 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.233 -5.098 -3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.429 -7.609 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.349 -6.544 -4.784 1.00 0.00 H new ATOM 15 N PHE A 63 -9.593 -6.722 -1.232 1.00 0.00 N ATOM 16 CA PHE A 63 -8.893 -6.962 0.035 1.00 0.00 C ATOM 17 C PHE A 63 -8.538 -5.617 0.692 1.00 0.00 C ATOM 18 O PHE A 63 -8.401 -4.611 -0.005 1.00 0.00 O ATOM 19 CB PHE A 63 -7.653 -7.828 -0.230 1.00 0.00 C ATOM 20 CG PHE A 63 -7.178 -8.609 0.978 1.00 0.00 C ATOM 21 CD1 PHE A 63 -7.709 -9.889 1.233 1.00 0.00 C ATOM 22 CD2 PHE A 63 -6.209 -8.075 1.846 1.00 0.00 C ATOM 23 CE1 PHE A 63 -7.258 -10.637 2.334 1.00 0.00 C ATOM 24 CE2 PHE A 63 -5.770 -8.816 2.960 1.00 0.00 C ATOM 25 CZ PHE A 63 -6.284 -10.102 3.195 1.00 0.00 C ATOM 0 H PHE A 63 -9.231 -5.913 -1.738 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.534 -7.503 0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.876 -8.526 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.842 -7.187 -0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.466 -10.297 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.800 -7.093 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.660 -11.622 2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.038 -8.396 3.634 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.931 -10.679 4.037 1.00 0.00 H new ATOM 35 N ALA A 64 -8.430 -5.567 2.020 1.00 0.00 N ATOM 36 CA ALA A 64 -8.126 -4.330 2.738 1.00 0.00 C ATOM 37 C ALA A 64 -6.657 -4.244 3.183 1.00 0.00 C ATOM 38 O ALA A 64 -5.975 -5.257 3.377 1.00 0.00 O ATOM 39 CB ALA A 64 -9.112 -4.169 3.898 1.00 0.00 C ATOM 0 H ALA A 64 -8.550 -6.379 2.625 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.253 -3.490 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.891 -3.248 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.129 -4.126 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.019 -5.018 4.575 1.00 0.00 H new ATOM 45 N CYS A 65 -6.139 -3.019 3.256 1.00 0.00 N ATOM 46 CA CYS A 65 -4.891 -2.716 3.937 1.00 0.00 C ATOM 47 C CYS A 65 -5.123 -2.612 5.448 1.00 0.00 C ATOM 48 O CYS A 65 -5.989 -1.844 5.869 1.00 0.00 O ATOM 49 CB CYS A 65 -4.354 -1.390 3.397 1.00 0.00 C ATOM 50 SG CYS A 65 -4.107 -1.514 1.609 1.00 0.00 S ATOM 0 H CYS A 65 -6.583 -2.202 2.837 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.169 -3.512 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.053 -0.585 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.413 -1.141 3.887 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.653 -0.384 1.154 1.00 0.00 H new ATOM 55 N ASP A 66 -4.086 -3.002 6.189 1.00 0.00 N ATOM 56 CA ASP A 66 -3.844 -2.584 7.571 1.00 0.00 C ATOM 57 C ASP A 66 -3.498 -1.088 7.666 1.00 0.00 C ATOM 58 O ASP A 66 -4.361 -0.281 7.990 1.00 0.00 O ATOM 59 CB ASP A 66 -2.711 -3.466 8.122 1.00 0.00 C ATOM 60 CG ASP A 66 -2.325 -3.123 9.561 1.00 0.00 C ATOM 61 OD1 ASP A 66 -1.181 -3.497 9.893 1.00 0.00 O ATOM 62 OD2 ASP A 66 -3.267 -2.964 10.371 1.00 0.00 O ATOM 0 H ASP A 66 -3.370 -3.636 5.835 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.748 -2.713 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.017 -4.511 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.834 -3.361 7.483 1.00 0.00 H new ATOM 67 N ILE A 67 -2.406 -0.699 6.998 1.00 0.00 N ATOM 68 CA ILE A 67 -1.829 0.651 7.069 1.00 0.00 C ATOM 69 C ILE A 67 -2.743 1.781 6.548 1.00 0.00 C ATOM 70 O ILE A 67 -2.695 2.888 7.088 1.00 0.00 O ATOM 71 CB ILE A 67 -0.457 0.624 6.346 1.00 0.00 C ATOM 72 CG1 ILE A 67 0.565 -0.323 7.027 1.00 0.00 C ATOM 73 CG2 ILE A 67 0.169 2.016 6.157 1.00 0.00 C ATOM 74 CD1 ILE A 67 0.937 0.034 8.474 1.00 0.00 C ATOM 0 H ILE A 67 -1.888 -1.324 6.381 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.705 0.903 8.122 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.687 0.229 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.161 -1.335 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.476 -0.336 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.126 1.918 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.499 2.638 5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.325 2.480 7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.657 -0.691 8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.377 1.031 8.501 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.041 0.016 9.095 1.00 0.00 H new ATOM 86 N CYS A 68 -3.605 1.521 5.556 1.00 0.00 N ATOM 87 CA CYS A 68 -4.608 2.501 5.117 1.00 0.00 C ATOM 88 C CYS A 68 -5.948 2.384 5.874 1.00 0.00 C ATOM 89 O CYS A 68 -6.764 3.303 5.810 1.00 0.00 O ATOM 90 CB CYS A 68 -4.837 2.377 3.599 1.00 0.00 C ATOM 91 SG CYS A 68 -3.485 3.144 2.656 1.00 0.00 S ATOM 0 H CYS A 68 -3.628 0.640 5.042 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.208 3.487 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.920 1.325 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.782 2.851 3.333 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.347 2.846 3.209 1.00 0.00 H new ATOM 96 N GLY A 69 -6.321 1.183 6.335 1.00 0.00 N ATOM 97 CA GLY A 69 -7.695 0.878 6.754 1.00 0.00 C ATOM 98 C GLY A 69 -8.738 0.981 5.625 1.00 0.00 C ATOM 99 O GLY A 69 -9.840 1.483 5.859 1.00 0.00 O ATOM 0 H GLY A 69 -5.679 0.396 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.721 -0.131 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.977 1.559 7.557 1.00 0.00 H new ATOM 103 N ARG A 70 -8.346 0.710 4.369 1.00 0.00 N ATOM 104 CA ARG A 70 -9.156 0.896 3.143 1.00 0.00 C ATOM 105 C ARG A 70 -9.092 -0.325 2.212 1.00 0.00 C ATOM 106 O ARG A 70 -8.093 -1.040 2.191 1.00 0.00 O ATOM 107 CB ARG A 70 -8.717 2.170 2.383 1.00 0.00 C ATOM 108 CG ARG A 70 -8.925 3.508 3.115 1.00 0.00 C ATOM 109 CD ARG A 70 -10.390 3.796 3.451 1.00 0.00 C ATOM 110 NE ARG A 70 -10.551 5.048 4.219 1.00 0.00 N ATOM 111 CZ ARG A 70 -11.603 5.329 4.978 1.00 0.00 C ATOM 112 NH1 ARG A 70 -11.821 6.530 5.411 1.00 0.00 N ATOM 113 NH2 ARG A 70 -12.488 4.437 5.329 1.00 0.00 N ATOM 0 H ARG A 70 -7.418 0.339 4.166 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.192 1.011 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.659 2.075 2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.260 2.209 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.343 3.504 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.536 4.317 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.967 3.861 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.800 2.965 4.025 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.805 5.741 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.177 7.284 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.636 6.722 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.389 3.471 5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.279 4.706 5.914 1.00 0.00 H new ATOM 127 N LYS A 71 -10.144 -0.523 1.406 1.00 0.00 N ATOM 128 CA LYS A 71 -10.254 -1.591 0.397 1.00 0.00 C ATOM 129 C LYS A 71 -9.559 -1.226 -0.915 1.00 0.00 C ATOM 130 O LYS A 71 -9.964 -0.256 -1.555 1.00 0.00 O ATOM 131 CB LYS A 71 -11.729 -1.908 0.102 1.00 0.00 C ATOM 132 CG LYS A 71 -12.464 -2.559 1.279 1.00 0.00 C ATOM 133 CD LYS A 71 -13.928 -2.815 0.883 1.00 0.00 C ATOM 134 CE LYS A 71 -14.701 -3.462 2.037 1.00 0.00 C ATOM 135 NZ LYS A 71 -16.158 -3.442 1.803 1.00 0.00 N ATOM 0 H LYS A 71 -10.970 0.074 1.438 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.757 -2.465 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.242 -0.986 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.784 -2.571 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.979 -3.496 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.420 -1.911 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.403 -1.875 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.964 -3.463 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.368 -4.492 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.475 -2.937 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.623 -4.111 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.524 -2.484 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.355 -3.717 0.820 1.00 0.00 H new ATOM 149 N PHE A 72 -8.900 -2.224 -1.496 1.00 0.00 N ATOM 150 CA PHE A 72 -8.292 -2.188 -2.830 1.00 0.00 C ATOM 151 C PHE A 72 -8.432 -3.545 -3.549 1.00 0.00 C ATOM 152 O PHE A 72 -8.927 -4.525 -2.982 1.00 0.00 O ATOM 153 CB PHE A 72 -6.814 -1.774 -2.672 1.00 0.00 C ATOM 154 CG PHE A 72 -6.600 -0.319 -2.281 1.00 0.00 C ATOM 155 CD1 PHE A 72 -6.596 0.672 -3.287 1.00 0.00 C ATOM 156 CD2 PHE A 72 -6.419 0.056 -0.936 1.00 0.00 C ATOM 157 CE1 PHE A 72 -6.422 2.022 -2.951 1.00 0.00 C ATOM 158 CE2 PHE A 72 -6.240 1.416 -0.600 1.00 0.00 C ATOM 159 CZ PHE A 72 -6.245 2.394 -1.603 1.00 0.00 C ATOM 0 H PHE A 72 -8.767 -3.122 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.810 -1.460 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.351 -2.411 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.295 -1.964 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.728 0.388 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.417 -0.696 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.424 2.776 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.099 1.702 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.113 3.434 -1.343 1.00 0.00 H new ATOM 169 N ALA A 73 -8.056 -3.579 -4.828 1.00 0.00 N ATOM 170 CA ALA A 73 -7.926 -4.797 -5.628 1.00 0.00 C ATOM 171 C ALA A 73 -6.592 -5.538 -5.352 1.00 0.00 C ATOM 172 O ALA A 73 -6.316 -5.907 -4.210 1.00 0.00 O ATOM 173 CB ALA A 73 -8.154 -4.422 -7.100 1.00 0.00 C ATOM 0 H ALA A 73 -7.827 -2.734 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.685 -5.526 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.063 -5.313 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.152 -3.999 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.410 -3.688 -7.408 1.00 0.00 H new ATOM 179 N ARG A 74 -5.860 -5.900 -6.420 1.00 0.00 N ATOM 180 CA ARG A 74 -4.705 -6.816 -6.398 1.00 0.00 C ATOM 181 C ARG A 74 -3.482 -6.228 -7.109 1.00 0.00 C ATOM 182 O ARG A 74 -2.477 -6.017 -6.442 1.00 0.00 O ATOM 183 CB ARG A 74 -5.131 -8.167 -7.000 1.00 0.00 C ATOM 184 CG ARG A 74 -4.168 -9.298 -6.623 1.00 0.00 C ATOM 185 CD ARG A 74 -4.626 -10.618 -7.247 1.00 0.00 C ATOM 186 NE ARG A 74 -3.971 -11.747 -6.576 1.00 0.00 N ATOM 187 CZ ARG A 74 -4.025 -13.016 -6.910 1.00 0.00 C ATOM 188 NH1 ARG A 74 -3.736 -13.902 -6.008 1.00 0.00 N ATOM 189 NH2 ARG A 74 -4.468 -13.430 -8.061 1.00 0.00 N ATOM 0 H ARG A 74 -6.063 -5.550 -7.356 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.394 -6.967 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.134 -8.416 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.180 -8.080 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.162 -9.057 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.121 -9.398 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.709 -10.713 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.387 -10.629 -8.310 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.409 -11.520 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.475 -13.606 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.770 -14.895 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.795 -12.757 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.489 -14.428 -8.270 1.00 0.00 H new ATOM 203 N SER A 75 -3.722 -5.672 -8.299 1.00 0.00 N ATOM 204 CA SER A 75 -2.948 -4.620 -8.971 1.00 0.00 C ATOM 205 C SER A 75 -1.421 -4.777 -8.888 1.00 0.00 C ATOM 206 O SER A 75 -0.753 -3.980 -8.234 1.00 0.00 O ATOM 207 CB SER A 75 -3.415 -3.231 -8.506 1.00 0.00 C ATOM 208 OG SER A 75 -4.816 -3.094 -8.704 1.00 0.00 O ATOM 0 H SER A 75 -4.521 -5.966 -8.861 1.00 0.00 H new ATOM 0 HA SER A 75 -3.160 -4.731 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.174 -3.092 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.884 -2.456 -9.060 1.00 0.00 H new ATOM 0 HG SER A 75 -5.007 -2.215 -9.094 1.00 0.00 H new HETATM 214 N OUD A 76 -0.857 -5.674 -9.720 1.00 0.00 N HETATM 215 CA OUD A 76 0.581 -5.699 -10.041 1.00 0.00 C HETATM 216 C OUD A 76 1.014 -2.605 -10.209 1.00 0.00 C HETATM 217 O OUD A 76 2.227 -2.593 -10.035 1.00 0.00 O HETATM 218 CB OUD A 76 1.079 -7.152 -10.224 1.00 0.00 C HETATM 219 CG OUD A 76 2.578 -7.215 -10.446 1.00 0.00 C HETATM 220 OD1 OUD A 76 3.308 -7.346 -9.485 1.00 0.00 O HETATM 221 OD2 OUD A 76 2.978 -7.103 -11.587 1.00 0.00 O HETATM 222 CM OUD A 76 0.876 -4.849 -11.304 1.00 0.00 C HETATM 223 N2 OUD A 76 0.448 -3.450 -11.180 1.00 0.00 N HETATM 231 N OUE A 77 0.233 -1.488 -9.876 1.00 0.00 N HETATM 232 CA OUE A 77 0.708 -0.411 -8.999 1.00 0.00 C HETATM 233 C OUE A 77 -0.485 -1.545 -5.934 1.00 0.00 C HETATM 234 O OUE A 77 0.539 -1.043 -5.500 1.00 0.00 O HETATM 235 CB OUE A 77 1.140 0.770 -9.898 1.00 0.00 C HETATM 236 CG OUE A 77 1.717 1.990 -9.152 1.00 0.00 C HETATM 237 CD OUE A 77 2.030 3.079 -10.155 1.00 0.00 C HETATM 238 OE1 OUE A 77 3.174 3.191 -10.537 1.00 0.00 O HETATM 239 OE2 OUE A 77 1.090 3.680 -10.626 1.00 0.00 O HETATM 240 CM OUE A 77 -0.386 -0.034 -7.971 1.00 0.00 C HETATM 241 N2 OUE A 77 -0.898 -1.208 -7.237 1.00 0.00 N HETATM 251 N OUK A 78 -0.833 -2.857 -5.538 1.00 0.00 N HETATM 252 CA OUK A 78 0.003 -3.663 -4.625 1.00 0.00 C HETATM 253 C OUK A 78 2.996 -3.173 -6.114 1.00 0.00 C HETATM 254 O OUK A 78 3.746 -3.662 -5.276 1.00 0.00 O HETATM 255 CB OUK A 78 -0.842 -4.596 -3.716 1.00 0.00 C HETATM 256 CG OUK A 78 -1.936 -3.895 -2.870 1.00 0.00 C HETATM 257 CD OUK A 78 -2.873 -4.952 -2.229 1.00 0.00 C HETATM 258 CE OUK A 78 -4.012 -4.332 -1.389 1.00 0.00 C HETATM 259 NZ OUK A 78 -3.651 -3.987 0.036 1.00 0.00 N HETATM 260 CM OUK A 78 0.993 -4.549 -5.424 1.00 0.00 C HETATM 261 N2 OUK A 78 1.783 -3.814 -6.420 1.00 0.00 N HETATM 278 N OUR A 79 3.543 -2.495 -7.222 1.00 0.00 N HETATM 279 CA OUR A 79 4.779 -1.701 -7.136 1.00 0.00 C HETATM 280 C OUR A 79 3.298 1.120 -5.228 1.00 0.00 C HETATM 281 O OUR A 79 4.223 1.147 -4.428 1.00 0.00 O HETATM 282 CB OUR A 79 5.710 -1.976 -8.344 1.00 0.00 C HETATM 283 CG OUR A 79 6.331 -3.400 -8.407 1.00 0.00 C HETATM 284 CD OUR A 79 5.355 -4.568 -8.704 1.00 0.00 C HETATM 285 NE OUR A 79 4.518 -4.318 -9.884 1.00 0.00 N HETATM 286 CZ OUR A 79 4.911 -4.257 -11.163 1.00 0.00 C HETATM 287 NH1 OUR A 79 5.864 -5.068 -11.626 1.00 0.00 N HETATM 288 NH2 OUR A 79 4.337 -3.370 -11.979 1.00 0.00 N HETATM 289 CM OUR A 79 4.471 -0.184 -7.066 1.00 0.00 C HETATM 290 N2 OUR A 79 3.305 0.133 -6.228 1.00 0.00 N HETATM 307 N OUH A 80 1.983 1.400 -4.811 1.00 0.00 N HETATM 308 CA OUH A 80 1.548 1.548 -3.413 1.00 0.00 C HETATM 309 C OUH A 80 3.333 -0.986 -1.785 1.00 0.00 C HETATM 310 O OUH A 80 2.959 -0.908 -0.620 1.00 0.00 O HETATM 311 CB OUH A 80 0.280 2.459 -3.360 1.00 0.00 C HETATM 312 CG OUH A 80 -0.886 1.900 -2.581 1.00 0.00 C HETATM 313 CD2 OUH A 80 -1.012 1.935 -1.148 1.00 0.00 C HETATM 314 ND1 OUH A 80 -1.964 1.167 -2.982 1.00 0.00 N HETATM 315 CE1 OUH A 80 -2.708 0.797 -1.892 1.00 0.00 C HETATM 316 NE2 OUH A 80 -2.116 1.232 -0.800 1.00 0.00 N HETATM 317 CM OUH A 80 1.306 0.177 -2.719 1.00 0.00 C HETATM 318 N2 OUH A 80 2.421 -0.765 -2.830 1.00 0.00 N HETATM 329 N OUK A 81 4.324 -1.923 -2.126 1.00 0.00 N HETATM 330 CA OUK A 81 5.562 -2.055 -1.343 1.00 0.00 C HETATM 331 C OUK A 81 6.290 1.050 -1.575 1.00 0.00 C HETATM 332 O OUK A 81 6.826 1.021 -0.475 1.00 0.00 O HETATM 333 CB OUK A 81 5.880 -3.544 -1.073 1.00 0.00 C HETATM 334 CG OUK A 81 4.855 -4.194 -0.113 1.00 0.00 C HETATM 335 CD OUK A 81 5.110 -5.712 0.024 1.00 0.00 C HETATM 336 CE OUK A 81 4.139 -6.363 1.030 1.00 0.00 C HETATM 337 NZ OUK A 81 4.382 -5.996 2.474 1.00 0.00 N HETATM 338 CM OUK A 81 6.754 -1.385 -2.068 1.00 0.00 C HETATM 339 N2 OUK A 81 6.479 -0.004 -2.487 1.00 0.00 N HETATM 356 N OUI A 82 5.929 2.267 -2.188 1.00 0.00 N HETATM 357 CA OUI A 82 5.714 3.530 -1.461 1.00 0.00 C HETATM 358 C OUI A 82 3.754 2.614 1.012 1.00 0.00 C HETATM 359 O OUI A 82 3.274 3.541 1.653 1.00 0.00 O HETATM 360 CB OUI A 82 6.330 4.750 -2.210 1.00 0.00 C HETATM 361 CG1 OUI A 82 5.587 5.087 -3.539 1.00 0.00 C HETATM 362 CG2 OUI A 82 7.844 4.515 -2.455 1.00 0.00 C HETATM 363 CD1 OUI A 82 6.165 6.315 -4.273 1.00 0.00 C HETATM 364 CM OUI A 82 4.209 3.743 -1.150 1.00 0.00 C HETATM 365 N2 OUI A 82 3.639 2.631 -0.385 1.00 0.00 N HETATM 380 N OUH A 83 3.646 1.312 1.529 1.00 0.00 N HETATM 381 CA OUH A 83 3.727 1.055 2.974 1.00 0.00 C HETATM 382 C OUH A 83 7.546 0.481 3.105 1.00 0.00 C HETATM 383 O OUH A 83 7.860 0.769 4.253 1.00 0.00 O HETATM 384 CB OUH A 83 3.102 -0.316 3.330 1.00 0.00 C HETATM 385 CG OUH A 83 1.644 -0.451 2.926 1.00 0.00 C HETATM 386 CD2 OUH A 83 0.758 0.621 2.536 1.00 0.00 C HETATM 387 ND1 OUH A 83 0.845 -1.555 2.854 1.00 0.00 N HETATM 388 CE1 OUH A 83 -0.421 -1.196 2.462 1.00 0.00 C HETATM 389 NE2 OUH A 83 -0.465 0.104 2.261 1.00 0.00 N HETATM 390 CM OUH A 83 5.177 1.207 3.501 1.00 0.00 C HETATM 391 N2 OUH A 83 6.203 0.554 2.680 1.00 0.00 N ATOM 402 N ARG A 84 8.489 0.647 2.066 1.00 0.00 N ATOM 403 CA ARG A 84 9.948 0.687 2.303 1.00 0.00 C ATOM 404 C ARG A 84 10.478 2.098 2.611 1.00 0.00 C ATOM 405 O ARG A 84 11.556 2.244 3.197 1.00 0.00 O ATOM 406 CB ARG A 84 10.651 0.121 1.048 1.00 0.00 C ATOM 407 CG ARG A 84 12.134 -0.215 1.273 1.00 0.00 C ATOM 408 CD ARG A 84 12.836 -0.571 -0.038 1.00 0.00 C ATOM 409 NE ARG A 84 14.199 -1.063 0.235 1.00 0.00 N ATOM 410 CZ ARG A 84 15.330 -0.377 0.281 1.00 0.00 C ATOM 411 NH1 ARG A 84 15.444 0.862 -0.117 1.00 0.00 N ATOM 412 NH2 ARG A 84 16.379 -0.990 0.733 1.00 0.00 N ATOM 0 H ARG A 84 8.229 0.750 1.085 1.00 0.00 H new ATOM 0 HA ARG A 84 10.163 0.087 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.128 -0.779 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.570 0.846 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.634 0.636 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.217 -1.050 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.266 -1.333 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.880 0.305 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 84 14.281 -2.064 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.632 1.355 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.345 1.337 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.311 -1.962 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.272 -0.500 0.786 1.00 0.00 H new ATOM 426 N LYS A 85 9.880 3.104 1.968 1.00 0.00 N ATOM 427 CA LYS A 85 10.350 4.494 1.906 1.00 0.00 C ATOM 428 C LYS A 85 9.160 5.401 1.588 1.00 0.00 C ATOM 429 O LYS A 85 8.204 4.956 0.955 1.00 0.00 O ATOM 430 CB LYS A 85 11.479 4.616 0.849 1.00 0.00 C ATOM 431 CG LYS A 85 12.101 6.023 0.808 1.00 0.00 C ATOM 432 CD LYS A 85 13.390 6.102 -0.016 1.00 0.00 C ATOM 433 CE LYS A 85 13.809 7.569 -0.180 1.00 0.00 C ATOM 434 NZ LYS A 85 14.173 8.217 1.107 1.00 0.00 N ATOM 0 H LYS A 85 9.012 2.967 1.450 1.00 0.00 H new ATOM 0 HA LYS A 85 10.768 4.805 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.257 3.885 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.079 4.371 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.373 6.721 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.311 6.348 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.183 5.540 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.237 5.646 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.658 7.624 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.993 8.125 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.463 9.200 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.352 8.207 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.959 7.698 1.547 1.00 0.00 H new ATOM 448 N ASP A 86 9.324 6.684 1.896 1.00 0.00 N ATOM 449 CA ASP A 86 8.551 7.803 1.357 1.00 0.00 C ATOM 450 C ASP A 86 9.492 8.962 1.008 1.00 0.00 C ATOM 451 O ASP A 86 10.484 9.107 1.761 1.00 0.00 O ATOM 452 CB ASP A 86 7.465 8.185 2.382 1.00 0.00 C ATOM 453 CG ASP A 86 6.235 8.836 1.744 1.00 0.00 C ATOM 454 OD1 ASP A 86 5.130 8.340 2.085 1.00 0.00 O ATOM 455 OD2 ASP A 86 6.305 10.065 1.501 1.00 0.00 O ATOM 456 OXT ASP A 86 9.560 9.301 -0.193 1.00 0.00 O ATOM 0 H ASP A 86 10.035 6.989 2.561 1.00 0.00 H new ATOM 0 HA ASP A 86 8.048 7.528 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.155 7.291 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.891 8.870 3.115 1.00 0.00 H new TER 461 ASP A 86 HETATM 462 ZN ZN A 101 -2.374 0.844 1.245 1.00 0.00 ZN HETATM 463 O HOH A 201 -5.239 -3.943 11.649 1.00 0.00 O HETATM 466 O HOH A 202 1.257 -4.267 10.104 1.00 0.00 O HETATM 469 O HOH A 203 3.079 9.213 0.800 1.00 0.00 O HETATM 472 O HOH A 204 5.298 11.485 3.415 1.00 0.00 O HETATM 475 O HOH A 205 5.026 1.452 -11.170 1.00 0.00 O HETATM 478 O HOH A 206 4.184 -8.661 -13.319 1.00 0.00 O HETATM 481 O HOH A 207 7.145 11.812 -0.303 1.00 0.00 O HETATM 484 O HOH A 208 -6.929 5.539 7.250 1.00 0.00 O HETATM 487 O HOH A 209 4.500 7.175 4.400 1.00 0.00 O HETATM 490 O HOH A 210 -0.678 5.377 -9.537 1.00 0.00 O HETATM 493 O HOH A 211 -10.544 3.291 7.764 1.00 0.00 O HETATM 496 O HOH A 212 13.954 3.522 3.349 1.00 0.00 O HETATM 499 O HOH A 213 -1.353 -4.510 1.461 1.00 0.00 O HETATM 502 O HOH A 214 -4.318 4.989 7.846 1.00 0.00 O HETATM 505 O HOH A 215 5.556 -7.970 -10.987 1.00 0.00 O HETATM 508 O HOH A 216 -17.798 -5.358 2.987 1.00 0.00 O HETATM 511 O HOH A 217 1.133 5.325 1.703 1.00 0.00 O HETATM 514 O HOH A 218 -17.382 -4.215 -0.581 1.00 0.00 O HETATM 517 O HOH A 219 -11.161 -11.142 -1.914 1.00 0.00 O HETATM 520 O HOH A 220 -10.956 -10.046 -4.398 1.00 0.00 O HETATM 523 O HOH A 221 19.183 -0.777 0.721 1.00 0.00 O HETATM 526 O HOH A 222 -14.477 5.967 6.634 1.00 0.00 O HETATM 529 O HOH A 223 15.150 -3.441 1.479 1.00 0.00 O HETATM 532 O HOH A 224 6.298 -7.198 4.200 1.00 0.00 O HETATM 535 O HOH A 225 -3.703 -11.968 -10.379 1.00 0.00 O HETATM 538 O HOH A 226 -3.108 -12.061 -3.876 1.00 0.00 O HETATM 541 O HOH A 227 -17.042 -0.766 2.246 1.00 0.00 O HETATM 544 O HOH A 228 5.477 -4.177 4.380 1.00 0.00 O HETATM 547 O HOH A 229 -4.733 -16.559 -5.573 1.00 0.00 O HETATM 550 O HOH A 230 16.529 7.429 2.589 1.00 0.00 O HETATM 553 O HOH A 231 -1.587 2.780 -9.994 1.00 0.00 O HETATM 556 O HOH A 232 -4.228 -16.185 -8.916 1.00 0.00 O HETATM 559 O HOH A 233 -10.458 8.933 6.313 1.00 0.00 O HETATM 562 O HOH A 234 -8.578 -1.176 -6.407 1.00 0.00 O HETATM 565 O HOH A 235 -11.910 -1.636 -3.263 1.00 0.00 O HETATM 568 O HOH A 236 -13.663 -10.102 -2.035 1.00 0.00 O HETATM 571 O HOH A 237 3.508 -0.536 -12.568 1.00 0.00 O HETATM 574 O HOH A 238 -3.233 -15.461 -3.477 1.00 0.00 O HETATM 577 O HOH A 239 -13.224 8.987 6.486 1.00 0.00 O HETATM 580 O HOH A 240 8.641 -5.727 -10.419 1.00 0.00 O HETATM 583 O HOH A 241 -2.603 -8.234 -9.652 1.00 0.00 O HETATM 586 O HOH A 242 -2.197 -1.268 -11.826 1.00 0.00 O HETATM 589 O HOH A 243 2.855 -8.411 -6.546 1.00 0.00 O HETATM 592 O HOH A 244 -5.798 -0.344 -9.914 1.00 0.00 O HETATM 595 O HOH A 245 2.055 -5.611 4.631 1.00 0.00 O HETATM 598 O HOH A 246 -10.785 -7.048 -6.102 1.00 0.00 O HETATM 601 O HOH A 247 8.151 -2.382 5.043 1.00 0.00 O HETATM 604 O HOH A 248 4.689 -9.177 3.182 1.00 0.00 O HETATM 607 O HOH A 249 -2.327 -3.846 -12.882 1.00 0.00 O HETATM 610 O HOH A 250 -3.645 0.884 -5.795 1.00 0.00 O HETATM 613 O HOH A 251 9.192 1.922 7.065 1.00 0.00 O HETATM 616 O HOH A 252 1.137 -5.282 2.143 1.00 0.00 O HETATM 619 O HOH A 253 -14.049 8.585 3.923 1.00 0.00 O HETATM 622 O HOH A 254 10.420 -0.349 6.195 1.00 0.00 O HETATM 625 O HOH A 255 -0.687 3.462 2.854 1.00 0.00 O HETATM 628 O HOH A 256 -2.345 -8.181 -3.756 1.00 0.00 O HETATM 631 O HOH A 257 -14.946 -9.905 -4.456 1.00 0.00 O HETATM 634 O HOH A 258 0.627 -3.925 12.831 1.00 0.00 O HETATM 637 O HOH A 259 -12.807 7.034 2.090 1.00 0.00 O HETATM 640 O HOH A 260 6.599 -6.031 -14.911 1.00 0.00 O HETATM 643 O HOH A 261 -1.701 -10.742 -9.099 1.00 0.00 O HETATM 646 O HOH A 262 -3.474 -6.228 -12.080 1.00 0.00 O HETATM 649 O HOH A 263 11.237 12.517 2.493 1.00 0.00 O HETATM 652 O HOH A 264 -7.741 -2.180 -10.540 1.00 0.00 O HETATM 655 O HOH A 265 -2.858 -6.678 2.361 1.00 0.00 O HETATM 658 O HOH A 266 -15.374 -6.442 3.797 1.00 0.00 O HETATM 661 O HOH A 267 8.073 -5.951 2.526 1.00 0.00 O HETATM 664 O HOH A 268 4.660 9.811 5.441 1.00 0.00 O HETATM 667 O HOH A 269 -19.805 -3.498 2.537 1.00 0.00 O HETATM 670 O HOH A 270 -14.772 -0.467 3.583 1.00 0.00 O HETATM 673 O HOH A 271 -5.813 -15.325 -10.994 1.00 0.00 O HETATM 676 O HOH A 272 -2.113 6.362 8.605 1.00 0.00 O HETATM 679 O HOH A 273 -0.415 -4.689 -14.733 1.00 0.00 O HETATM 682 O HOH A 274 5.098 -0.263 6.803 1.00 0.00 O HETATM 685 O HOH A 275 -14.158 1.467 7.276 1.00 0.00 O HETATM 688 O HOH A 276 7.218 3.787 6.687 1.00 0.00 O HETATM 691 O HOH A 277 -7.845 -4.892 -10.460 1.00 0.00 O HETATM 694 O HOH A 278 -12.934 3.105 9.007 1.00 0.00 O HETATM 697 O HOH A 279 10.388 -0.523 -2.244 1.00 0.00 O HETATM 700 O HOH A 280 8.344 6.068 5.706 1.00 0.00 O HETATM 703 O HOH A 281 6.162 4.206 -8.084 1.00 0.00 O HETATM 706 O HOH A 282 -12.870 4.573 0.976 1.00 0.00 O HETATM 709 O HOH A 283 0.273 5.006 8.796 1.00 0.00 O HETATM 712 O HOH A 284 -5.403 -14.133 -2.341 1.00 0.00 O HETATM 715 O HOH A 285 17.221 4.485 0.176 1.00 0.00 O HETATM 718 O HOH A 286 2.554 1.522 -14.184 1.00 0.00 O HETATM 721 O HOH A 287 -6.241 -11.584 -3.214 1.00 0.00 O HETATM 724 O HOH A 288 -8.611 7.619 7.654 1.00 0.00 O HETATM 727 O HOH A 289 0.986 -7.777 1.076 1.00 0.00 O HETATM 730 O HOH A 290 -3.301 0.578 -10.070 1.00 0.00 O HETATM 733 O HOH A 291 4.869 11.943 -1.853 1.00 0.00 O HETATM 736 O HOH A 292 12.483 -1.441 4.760 1.00 0.00 O HETATM 739 O HOH A 293 8.572 -3.436 1.589 1.00 0.00 O HETATM 742 O HOH A 294 -12.660 -0.740 7.900 1.00 0.00 O HETATM 745 O HOH A 295 -4.865 -8.463 -11.129 1.00 0.00 O HETATM 748 O HOH A 296 8.120 -8.417 -10.499 1.00 0.00 O HETATM 751 O HOH A 297 -18.501 -6.787 0.847 1.00 0.00 O HETATM 754 O HOH A 298 -10.931 -2.059 -7.483 1.00 0.00 O HETATM 757 O HOH A 299 -5.642 5.135 2.185 1.00 0.00 O HETATM 760 O HOH A 300 -7.761 -15.877 -9.096 1.00 0.00 O HETATM 763 O HOH A 301 2.449 -8.864 4.957 1.00 0.00 O HETATM 766 O HOH A 302 -1.559 -7.715 0.036 1.00 0.00 O HETATM 769 O HOH A 303 5.482 -7.547 -5.743 1.00 0.00 O HETATM 772 O HOH A 304 -6.609 -16.169 -3.710 1.00 0.00 O HETATM 775 O HOH A 305 -12.327 -8.628 -7.668 1.00 0.00 O HETATM 778 O HOH A 306 3.995 7.215 -9.120 1.00 0.00 O HETATM 781 O HOH A 307 -12.723 -3.351 4.463 1.00 0.00 O HETATM 784 O HOH A 308 10.860 -3.843 0.007 1.00 0.00 O HETATM 787 O HOH A 309 -1.747 -8.857 -12.550 1.00 0.00 O HETATM 790 O HOH A 310 -12.029 1.088 -5.142 1.00 0.00 O HETATM 793 O HOH A 311 -6.287 -6.394 7.806 1.00 0.00 O HETATM 796 O HOH A 312 -6.977 -5.261 10.136 1.00 0.00 O HETATM 799 O HOH A 313 1.577 7.175 -0.199 1.00 0.00 O HETATM 802 O HOH A 314 -14.922 0.677 0.893 1.00 0.00 O HETATM 805 O HOH A 315 -7.920 -13.904 -4.642 1.00 0.00 O HETATM 808 O HOH A 316 -1.336 4.703 -5.553 1.00 0.00 O HETATM 811 O HOH A 317 14.610 0.182 5.647 1.00 0.00 O HETATM 814 O HOH A 318 10.410 -3.004 3.692 1.00 0.00 O HETATM 817 O HOH A 319 14.323 -3.368 4.027 1.00 0.00 O HETATM 820 O HOH A 320 -0.423 -11.684 -3.890 1.00 0.00 O HETATM 823 O HOH A 321 -11.842 -4.611 -6.935 1.00 0.00 O HETATM 826 O HOH A 322 -8.693 -6.845 6.530 1.00 0.00 O HETATM 829 O HOH A 323 16.426 4.722 2.746 1.00 0.00 O HETATM 832 O HOH A 324 -6.219 -17.534 -7.657 1.00 0.00 O HETATM 835 O HOH A 325 -12.732 -5.924 3.285 1.00 0.00 O HETATM 838 O HOH A 326 -4.126 -9.880 -2.495 1.00 0.00 O HETATM 841 O HOH A 327 3.105 -3.097 8.517 1.00 0.00 O HETATM 844 O HOH A 328 6.330 7.730 6.415 1.00 0.00 O HETATM 847 O HOH A 329 -15.252 -5.092 -5.608 1.00 0.00 O HETATM 850 O HOH A 330 3.923 -2.688 6.015 1.00 0.00 O HETATM 853 O HOH A 331 -9.525 -4.382 7.229 1.00 0.00 O HETATM 856 O HOH A 332 0.407 -10.608 -7.372 1.00 0.00 O HETATM 859 O HOH A 333 -13.870 -10.629 -6.796 1.00 0.00 O HETATM 862 O HOH A 334 16.037 2.109 4.432 1.00 0.00 O HETATM 865 O HOH A 335 -11.095 4.262 -1.058 1.00 0.00 O HETATM 868 O HOH A 336 -7.643 -13.318 -11.514 1.00 0.00 O HETATM 871 O HOH A 337 -16.268 4.609 8.151 1.00 0.00 O HETATM 874 O HOH A 338 -9.294 -6.960 -9.501 1.00 0.00 O HETATM 877 O HOH A 339 2.899 10.076 -1.796 1.00 0.00 O HETATM 880 O HOH A 340 -13.860 -6.360 -7.670 1.00 0.00 O HETATM 883 O HOH A 341 -14.080 -0.068 -3.933 1.00 0.00 O HETATM 886 O HOH A 342 -7.255 -8.784 -9.954 1.00 0.00 O HETATM 889 O HOH A 343 3.736 2.222 6.415 1.00 0.00 O HETATM 892 O HOH A 344 -9.689 -13.067 -0.828 1.00 0.00 O HETATM 895 O HOH A 345 1.045 6.054 -5.570 1.00 0.00 O HETATM 898 O HOH A 346 -13.261 -3.346 -4.945 1.00 0.00 O HETATM 901 O HOH A 347 2.624 -10.430 1.675 1.00 0.00 O HETATM 904 O HOH A 348 -2.366 -7.490 6.764 1.00 0.00 O HETATM 907 O HOH A 349 -17.199 -8.455 -3.949 1.00 0.00 O HETATM 910 O HOH A 350 -10.885 3.404 -4.684 1.00 0.00 O HETATM 913 O HOH A 351 -5.089 -4.454 -13.408 1.00 0.00 O HETATM 916 O HOH A 352 4.579 4.934 6.182 1.00 0.00 O HETATM 919 O HOH A 353 10.514 -2.238 -4.424 1.00 0.00 O HETATM 922 O HOH A 354 9.247 -5.191 -7.908 1.00 0.00 O HETATM 925 O HOH A 355 -16.961 -5.721 -3.656 1.00 0.00 O HETATM 928 O HOH A 356 -17.111 -7.292 -1.392 1.00 0.00 O HETATM 931 O HOH A 357 15.653 -6.031 0.797 1.00 0.00 O HETATM 934 O HOH A 358 -0.849 6.172 -0.987 1.00 0.00 O HETATM 937 O HOH A 359 16.059 -2.135 5.701 1.00 0.00 O HETATM 940 O HOH A 360 9.713 -3.961 -2.493 1.00 0.00 O HETATM 943 O HOH A 361 0.941 -9.500 -4.882 1.00 0.00 O HETATM 946 O HOH A 362 19.111 4.070 -1.764 1.00 0.00 O HETATM 949 O HOH A 363 1.260 6.508 -2.874 1.00 0.00 O HETATM 952 O HOH A 364 -17.566 -0.623 -2.322 1.00 0.00 O HETATM 955 O HOH A 365 -17.916 -3.177 -3.078 1.00 0.00 O HETATM 958 O HOH A 366 -10.480 -8.650 5.722 1.00 0.00 O HETATM 961 O HOH A 367 6.403 -10.787 1.838 1.00 0.00 O HETATM 964 O HOH A 368 -4.802 -8.613 7.239 1.00 0.00 O HETATM 967 O HOH A 369 2.078 -9.487 -0.788 1.00 0.00 O HETATM 970 O HOH A 370 1.081 2.916 10.825 1.00 0.00 O HETATM 973 O HOH A 371 0.365 -9.399 3.228 1.00 0.00 O HETATM 976 O HOH A 372 -1.399 -7.323 -14.788 1.00 0.00 O HETATM 979 O HOH A 373 -12.033 -3.240 7.156 1.00 0.00 O HETATM 982 O HOH A 374 -0.010 -8.397 -2.280 1.00 0.00 O HETATM 985 O HOH A 375 -8.688 -11.071 -10.458 1.00 0.00 O HETATM 988 O HOH A 376 -3.751 -9.378 0.308 1.00 0.00 O HETATM 991 O HOH A 377 -2.335 -9.351 2.728 1.00 0.00 O HETATM 994 O HOH A 378 -0.894 -11.205 -11.668 1.00 0.00 O HETATM 997 O HOH A 379 5.331 1.143 9.176 1.00 0.00 O HETATM 1000 O HOH A 380 12.772 -0.965 -5.152 1.00 0.00 O HETATM 1003 O HOH A 381 -15.391 1.024 -1.827 1.00 0.00 O HETATM 1006 O HOH A 382 5.712 -8.537 -3.119 1.00 0.00 O HETATM 1009 O HOH A 383 11.000 -5.381 2.232 1.00 0.00 O HETATM 1012 O HOH A 384 -8.912 2.793 -6.431 1.00 0.00 O HETATM 1015 O HOH A 385 4.332 -1.249 10.117 1.00 0.00 O HETATM 1018 O HOH A 386 2.862 7.817 -6.721 1.00 0.00 O HETATM 1021 O HOH A 387 -8.800 -10.713 5.126 1.00 0.00 O HETATM 1024 O HOH A 388 9.620 -2.647 -6.948 1.00 0.00 O HETATM 1027 O HOH A 389 -10.062 5.618 -3.138 1.00 0.00 O HETATM 1030 O HOH A 390 3.268 2.875 9.156 1.00 0.00 O HETATM 1033 O HOH A 391 -9.991 -14.067 1.657 1.00 0.00 O HETATM 1036 O HOH A 392 3.006 5.453 8.341 1.00 0.00 O HETATM 1039 O HOH A 393 -6.923 4.573 -6.200 1.00 0.00 O HETATM 1042 O HOH A 394 -3.054 -11.363 4.356 1.00 0.00 O HETATM 1045 O HOH A 395 -7.434 5.707 -3.831 1.00 0.00 O HETATM 1048 O HOH A 396 5.112 10.145 -6.264 1.00 0.00 O HETATM 1051 O HOH A 397 -4.801 -12.504 6.098 1.00 0.00 O HETATM 1054 O HOH A 398 -7.298 -12.969 5.292 1.00 0.00 O HETATM 1057 O HOH A 399 -7.692 -14.624 3.022 1.00 0.00 O