REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:08 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -8.728 -0.219 0.260 1.00 32.01 ATOM 2 CB MET 1 -8.551 1.802 0.955 1.00 22.22 ATOM 3 HB1 MET 1 -9.485 2.278 0.679 1.00 37.69 ATOM 4 HB2 MET 1 -7.762 2.542 0.922 1.00 42.31 ATOM 5 CG MET 1 -8.691 1.308 2.386 1.00 60.32 ATOM 6 HG1 MET 1 -7.802 0.754 2.653 1.00 37.69 ATOM 7 HG2 MET 1 -9.550 0.656 2.442 1.00 24.43 ATOM 8 SD MET 1 -8.906 2.653 3.567 1.00 24.34 ATOM 9 CE MET 1 -9.644 1.778 4.945 1.00 11.41 ATOM 10 HE1 MET 1 -9.835 2.471 5.751 1.00 64.33 ATOM 11 HE2 MET 1 -8.968 1.008 5.286 1.00 13.21 ATOM 12 HE3 MET 1 -10.573 1.328 4.629 1.00 13.45 ATOM 13 C MET 1 -8.722 1.084 -1.435 1.00 65.32 ATOM 14 O MET 1 -8.401 2.160 -1.938 1.00 31.03 ATOM 15 N MET 1 -6.794 0.425 -0.061 1.00 65.12 ATOM 16 HT1 MET 1 -6.469 0.141 0.888 1.00 37.69 ATOM 17 HT2 MET 1 -6.261 1.273 -0.355 1.00 37.69 ATOM 18 HT3 MET 1 -6.578 -0.350 -0.725 1.00 37.69 ATOM 19 CA MET 1 -8.227 0.692 -0.046 1.00 72.45 ATOM 20 N GLY 2 -9.504 0.202 -2.051 1.00 11.51 ATOM 21 HN GLY 2 -9.738 -0.644 -1.599 1.00 37.69 ATOM 22 CA GLY 2 -10.029 0.475 -3.376 1.00 13.30 ATOM 23 HA1 GLY 2 -9.275 0.978 -3.971 1.00 37.69 ATOM 24 HA2 GLY 2 -10.886 1.125 -3.282 1.00 75.22 ATOM 25 C GLY 2 -10.454 -0.786 -4.102 1.00 41.43 ATOM 26 O GLY 2 -11.642 -1.103 -4.168 1.00 50.30 ATOM 27 N HIS 3 -9.481 -1.507 -4.651 1.00 53.41 ATOM 28 HN HIS 3 -8.544 -1.210 -4.553 1.00 37.69 ATOM 29 CA HIS 3 -9.761 -2.740 -5.378 1.00 21.02 ATOM 30 HA HIS 3 -10.697 -2.621 -5.914 1.00 43.43 ATOM 31 CB HIS 3 -8.649 -3.025 -6.388 1.00 22.14 ATOM 32 HB1 HIS 3 -8.786 -4.013 -6.810 1.00 37.69 ATOM 33 HB2 HIS 3 -7.696 -2.985 -5.884 1.00 3.21 ATOM 34 CG HIS 3 -8.608 -2.051 -7.524 1.00 44.23 ATOM 35 ND1 HIS 3 -9.213 -2.287 -8.740 1.00 55.03 ATOM 36 HD1 HIS 3 -9.717 -3.092 -8.982 1.00 11.31 ATOM 37 CD2 HIS 3 -8.030 -0.831 -7.624 1.00 44.03 ATOM 38 HD2 HIS 3 -7.466 -0.324 -6.853 1.00 32.14 ATOM 39 CE1 HIS 3 -9.008 -1.255 -9.540 1.00 34.44 ATOM 40 HE1 HIS 3 -9.366 -1.161 -10.555 1.00 51.13 ATOM 41 NE2 HIS 3 -8.293 -0.358 -8.886 1.00 41.32 ATOM 42 HE2 HIS 3 -7.925 0.463 -9.274 1.00 37.69 ATOM 43 C HIS 3 -9.905 -3.916 -4.417 1.00 33.14 ATOM 44 O HIS 3 -9.529 -3.826 -3.248 1.00 1.54 ATOM 45 N HIS 4 -10.453 -5.019 -4.917 1.00 35.03 ATOM 46 HN HIS 4 -10.736 -5.030 -5.863 1.00 37.69 ATOM 47 CA HIS 4 -10.648 -6.213 -4.102 1.00 22.20 ATOM 48 HA HIS 4 -11.332 -5.958 -3.301 1.00 62.25 ATOM 49 CB HIS 4 -11.268 -7.332 -4.939 1.00 73.02 ATOM 50 HB1 HIS 4 -11.308 -8.242 -4.353 1.00 37.69 ATOM 51 HB2 HIS 4 -10.657 -7.500 -5.813 1.00 32.50 ATOM 52 CG HIS 4 -12.660 -7.031 -5.404 1.00 43.13 ATOM 53 ND1 HIS 4 -12.942 -6.525 -6.656 1.00 31.32 ATOM 54 HD1 HIS 4 -12.283 -6.315 -7.350 1.00 24.02 ATOM 55 CD2 HIS 4 -13.852 -7.168 -4.778 1.00 62.40 ATOM 56 HD2 HIS 4 -14.010 -7.540 -3.775 1.00 21.45 ATOM 57 CE1 HIS 4 -14.247 -6.363 -6.779 1.00 34.25 ATOM 58 HE1 HIS 4 -14.757 -5.983 -7.652 1.00 51.24 ATOM 59 NE2 HIS 4 -14.822 -6.747 -5.653 1.00 15.40 ATOM 60 HE2 HIS 4 -15.774 -6.648 -5.443 1.00 37.69 ATOM 61 C HIS 4 -9.326 -6.683 -3.503 1.00 23.30 ATOM 62 O HIS 4 -8.439 -7.151 -4.219 1.00 13.41 ATOM 63 N HIS 5 -9.200 -6.556 -2.186 1.00 4.32 ATOM 64 HN HIS 5 -9.933 -6.160 -1.664 1.00 37.69 ATOM 65 CA HIS 5 -7.985 -6.967 -1.491 1.00 32.53 ATOM 66 HA HIS 5 -7.330 -7.473 -2.191 1.00 53.32 ATOM 67 CB HIS 5 -7.256 -5.747 -0.927 1.00 35.32 ATOM 68 HB1 HIS 5 -7.792 -5.366 -0.066 1.00 37.69 ATOM 69 HB2 HIS 5 -7.223 -4.979 -1.686 1.00 63.14 ATOM 70 CG HIS 5 -5.845 -6.031 -0.513 1.00 13.12 ATOM 71 ND1 HIS 5 -4.964 -6.754 -1.289 1.00 12.03 ATOM 72 HD1 HIS 5 -5.160 -7.144 -2.166 1.00 31.22 ATOM 73 CD2 HIS 5 -5.163 -5.683 0.603 1.00 12.42 ATOM 74 HD2 HIS 5 -5.545 -5.107 1.434 1.00 14.20 ATOM 75 CE1 HIS 5 -3.802 -6.840 -0.667 1.00 44.32 ATOM 76 HE1 HIS 5 -2.924 -7.348 -1.037 1.00 53.42 ATOM 77 NE2 HIS 5 -3.896 -6.197 0.483 1.00 23.30 ATOM 78 HE2 HIS 5 -3.151 -6.023 1.095 1.00 37.69 ATOM 79 C HIS 5 -8.308 -7.946 -0.366 1.00 34.41 ATOM 80 O HIS 5 -7.667 -8.989 -0.233 1.00 72.44 ATOM 81 N HIS 6 -9.306 -7.603 0.442 1.00 32.15 ATOM 82 HN HIS 6 -9.770 -6.746 0.302 1.00 37.69 ATOM 83 CA HIS 6 -9.714 -8.452 1.556 1.00 13.23 ATOM 84 HA HIS 6 -8.869 -8.539 2.228 1.00 53.35 ATOM 85 CB HIS 6 -10.893 -7.822 2.300 1.00 64.11 ATOM 86 HB1 HIS 6 -11.828 -8.141 1.857 1.00 37.69 ATOM 87 HB2 HIS 6 -10.825 -6.745 2.226 1.00 22.31 ATOM 88 CG HIS 6 -10.933 -8.165 3.757 1.00 34.02 ATOM 89 ND1 HIS 6 -10.726 -7.236 4.755 1.00 32.10 ATOM 90 HD1 HIS 6 -10.535 -6.284 4.620 1.00 10.25 ATOM 91 CD2 HIS 6 -11.161 -9.343 4.383 1.00 31.25 ATOM 92 HD2 HIS 6 -11.364 -10.293 3.908 1.00 14.53 ATOM 93 CE1 HIS 6 -10.823 -7.828 5.932 1.00 61.41 ATOM 94 HE1 HIS 6 -10.708 -7.348 6.892 1.00 23.24 ATOM 95 NE2 HIS 6 -11.087 -9.107 5.734 1.00 22.42 ATOM 96 HE2 HIS 6 -11.300 -9.755 6.438 1.00 37.69 ATOM 97 C HIS 6 -10.093 -9.846 1.066 1.00 32.25 ATOM 98 O HIS 6 -9.943 -10.832 1.790 1.00 40.44 ATOM 99 N HIS 7 -10.586 -9.922 -0.166 1.00 1.31 ATOM 100 HN HIS 7 -10.713 -9.106 -0.701 1.00 37.69 ATOM 101 CA HIS 7 -10.987 -11.196 -0.752 1.00 44.32 ATOM 102 HA HIS 7 -11.135 -11.923 0.040 1.00 72.34 ATOM 103 CB HIS 7 -12.301 -11.038 -1.518 1.00 22.15 ATOM 104 HB1 HIS 7 -12.498 -11.932 -2.096 1.00 37.69 ATOM 105 HB2 HIS 7 -12.220 -10.195 -2.187 1.00 5.32 ATOM 106 CG HIS 7 -13.486 -10.805 -0.631 1.00 63.25 ATOM 107 ND1 HIS 7 -14.350 -11.810 -0.251 1.00 52.13 ATOM 108 HD1 HIS 7 -14.283 -12.752 -0.512 1.00 61.44 ATOM 109 CD2 HIS 7 -13.947 -9.674 -0.049 1.00 4.23 ATOM 110 HD2 HIS 7 -13.512 -8.688 -0.131 1.00 21.25 ATOM 111 CE1 HIS 7 -15.293 -11.306 0.526 1.00 64.35 ATOM 112 HE1 HIS 7 -16.106 -11.859 0.972 1.00 71.32 ATOM 113 NE2 HIS 7 -15.070 -10.012 0.665 1.00 52.24 ATOM 114 HE2 HIS 7 -15.564 -9.415 1.265 1.00 37.69 ATOM 115 C HIS 7 -9.903 -11.730 -1.684 1.00 3.03 ATOM 116 O HIS 7 -8.904 -11.057 -1.941 1.00 70.01 ATOM 117 N HIS 8 -10.106 -12.944 -2.186 1.00 11.14 ATOM 118 HN HIS 8 -10.918 -13.445 -1.946 1.00 37.69 ATOM 119 CA HIS 8 -9.146 -13.569 -3.089 1.00 2.45 ATOM 120 HA HIS 8 -9.490 -14.573 -3.295 1.00 71.01 ATOM 121 CB HIS 8 -9.058 -12.782 -4.397 1.00 20.31 ATOM 122 HB1 HIS 8 -8.152 -13.051 -4.926 1.00 37.69 ATOM 123 HB2 HIS 8 -9.039 -11.725 -4.198 1.00 75.53 ATOM 124 CG HIS 8 -10.196 -13.049 -5.333 1.00 52.52 ATOM 125 ND1 HIS 8 -10.898 -12.046 -5.969 1.00 61.10 ATOM 126 HD1 HIS 8 -10.732 -11.084 -5.877 1.00 45.02 ATOM 127 CD2 HIS 8 -10.753 -14.213 -5.742 1.00 1.24 ATOM 128 HD2 HIS 8 -10.452 -15.207 -5.443 1.00 22.45 ATOM 129 CE1 HIS 8 -11.838 -12.582 -6.727 1.00 31.24 ATOM 130 HE1 HIS 8 -12.541 -12.039 -7.341 1.00 43.41 ATOM 131 NE2 HIS 8 -11.771 -13.896 -6.607 1.00 11.22 ATOM 132 HE2 HIS 8 -12.292 -14.538 -7.132 1.00 37.69 ATOM 133 C HIS 8 -7.768 -13.656 -2.440 1.00 45.31 ATOM 134 O HIS 8 -6.746 -13.644 -3.127 1.00 1.23 ATOM 135 N SER 9 -7.747 -13.742 -1.114 1.00 31.31 ATOM 136 HN SER 9 -8.589 -13.810 -0.610 1.00 37.69 ATOM 137 CA SER 9 -6.494 -13.827 -0.373 1.00 13.45 ATOM 138 HA SER 9 -5.738 -13.260 -0.908 1.00 60.23 ATOM 139 CB SER 9 -6.656 -13.206 1.016 1.00 13.14 ATOM 140 HB1 SER 9 -7.438 -13.723 1.553 1.00 37.69 ATOM 141 HB2 SER 9 -6.920 -12.164 0.913 1.00 63.01 ATOM 142 OG SER 9 -5.453 -13.298 1.760 1.00 74.42 ATOM 143 HG SER 9 -5.628 -13.086 2.680 1.00 71.52 ATOM 144 C SER 9 -6.036 -15.276 -0.244 1.00 23.11 ATOM 145 O SER 9 -6.640 -16.069 0.479 1.00 54.04 ATOM 146 N HIS 10 -4.962 -15.615 -0.950 1.00 60.34 ATOM 147 HN HIS 10 -4.518 -14.945 -1.520 1.00 37.69 ATOM 148 CA HIS 10 -4.420 -16.969 -0.916 1.00 35.33 ATOM 149 HA HIS 10 -4.941 -17.541 -0.156 1.00 71.24 ATOM 150 CB HIS 10 -4.630 -17.660 -2.264 1.00 2.42 ATOM 151 HB1 HIS 10 -3.849 -17.383 -2.960 1.00 37.69 ATOM 152 HB2 HIS 10 -5.581 -17.346 -2.671 1.00 63.30 ATOM 153 CG HIS 10 -4.665 -19.154 -2.172 1.00 72.13 ATOM 154 ND1 HIS 10 -4.138 -19.856 -1.109 1.00 44.30 ATOM 155 HD1 HIS 10 -3.702 -19.476 -0.322 1.00 45.31 ATOM 156 CD2 HIS 10 -5.171 -20.081 -3.019 1.00 32.10 ATOM 157 HD2 HIS 10 -5.664 -19.887 -3.961 1.00 32.34 ATOM 158 CE1 HIS 10 -4.316 -21.150 -1.306 1.00 42.24 ATOM 159 HE1 HIS 10 -4.005 -21.940 -0.638 1.00 11.12 ATOM 160 NE2 HIS 10 -4.941 -21.313 -2.458 1.00 72.32 ATOM 161 HE2 HIS 10 -5.276 -22.167 -2.803 1.00 37.69 ATOM 162 C HIS 10 -2.936 -16.952 -0.565 1.00 2.22 ATOM 163 O HIS 10 -2.073 -17.240 -1.395 1.00 35.41 ATOM 164 N PRO 11 -2.629 -16.604 0.694 1.00 64.42 ATOM 165 CA PRO 11 -1.248 -16.541 1.183 1.00 51.32 ATOM 166 HA PRO 11 -0.635 -15.913 0.551 1.00 33.14 ATOM 167 CB PRO 11 -1.390 -15.894 2.563 1.00 53.11 ATOM 168 HB1 PRO 11 -1.254 -14.827 2.473 1.00 37.69 ATOM 169 HB2 PRO 11 -0.661 -16.292 3.254 1.00 51.14 ATOM 170 CG PRO 11 -2.779 -16.219 2.993 1.00 71.44 ATOM 171 HG1 PRO 11 -3.144 -15.455 3.664 1.00 37.69 ATOM 172 HG2 PRO 11 -2.797 -17.185 3.476 1.00 15.44 ATOM 173 CD PRO 11 -3.605 -16.248 1.736 1.00 13.35 ATOM 174 HD1 PRO 11 -4.027 -15.276 1.551 1.00 37.69 ATOM 175 HD2 PRO 11 -4.381 -16.992 1.819 1.00 32.13 ATOM 176 C PRO 11 -0.612 -17.921 1.304 1.00 21.15 ATOM 177 O PRO 11 -1.308 -18.924 1.459 1.00 45.12 ATOM 178 N ASN 12 0.715 -17.965 1.234 1.00 14.53 ATOM 179 HN ASN 12 1.220 -17.124 1.118 1.00 37.69 ATOM 180 CA ASN 12 1.445 -19.223 1.337 1.00 54.13 ATOM 181 HA ASN 12 0.975 -19.945 0.677 1.00 61.34 ATOM 182 CB ASN 12 2.902 -19.027 0.912 1.00 34.42 ATOM 183 HB1 ASN 12 3.524 -19.808 1.327 1.00 37.69 ATOM 184 HB2 ASN 12 3.255 -18.075 1.283 1.00 41.21 ATOM 185 CG ASN 12 3.074 -19.061 -0.594 1.00 44.20 ATOM 186 OD1 ASN 12 2.990 -20.120 -1.216 1.00 44.33 ATOM 187 ND2 ASN 12 3.318 -17.898 -1.187 1.00 53.14 ATOM 188 HD21 ASN 12 3.376 -17.082 -0.641 1.00 44.31 ATOM 189 HD22 ASN 12 3.433 -17.899 -2.160 1.00 40.55 ATOM 190 C ASN 12 1.387 -19.771 2.759 1.00 31.23 ATOM 191 O ASN 12 0.803 -19.154 3.649 1.00 13.10 ATOM 192 N GLU 13 1.998 -20.934 2.965 1.00 52.11 ATOM 193 HN GLU 13 2.436 -21.393 2.209 1.00 37.69 ATOM 194 CA GLU 13 2.015 -21.565 4.279 1.00 3.24 ATOM 195 HA GLU 13 0.998 -21.664 4.613 1.00 14.34 ATOM 196 CB GLU 13 2.647 -22.956 4.194 1.00 52.15 ATOM 197 HB1 GLU 13 3.689 -22.856 3.917 1.00 37.69 ATOM 198 HB2 GLU 13 2.135 -23.518 3.425 1.00 21.43 ATOM 199 CG GLU 13 2.567 -23.742 5.492 1.00 45.53 ATOM 200 HG1 GLU 13 1.538 -23.837 5.782 1.00 37.69 ATOM 201 HG2 GLU 13 3.105 -23.205 6.259 1.00 33.24 ATOM 202 CD GLU 13 3.173 -25.127 5.373 1.00 2.43 ATOM 203 OE1 GLU 13 3.145 -25.693 4.260 1.00 1.53 ATOM 204 OE2 GLU 13 3.675 -25.645 6.393 1.00 52.52 ATOM 205 C GLU 13 2.780 -20.708 5.284 1.00 63.10 ATOM 206 O GLU 13 2.327 -20.499 6.408 1.00 14.44 ATOM 207 N GLU 14 3.944 -20.216 4.869 1.00 73.51 ATOM 208 HN GLU 14 4.259 -20.418 3.956 1.00 37.69 ATOM 209 CA GLU 14 4.772 -19.384 5.733 1.00 43.11 ATOM 210 HA GLU 14 4.871 -19.880 6.691 1.00 5.00 ATOM 211 CB GLU 14 6.166 -19.208 5.125 1.00 34.24 ATOM 212 HB1 GLU 14 6.749 -18.551 5.758 1.00 37.69 ATOM 213 HB2 GLU 14 6.063 -18.754 4.148 1.00 15.54 ATOM 214 CG GLU 14 6.931 -20.512 4.970 1.00 13.30 ATOM 215 HG1 GLU 14 6.327 -21.208 4.404 1.00 37.69 ATOM 216 HG2 GLU 14 7.124 -20.920 5.951 1.00 62.14 ATOM 217 CD GLU 14 8.255 -20.329 4.255 1.00 63.00 ATOM 218 OE1 GLU 14 8.320 -20.618 3.042 1.00 42.10 ATOM 219 OE2 GLU 14 9.227 -19.897 4.909 1.00 3.34 ATOM 220 C GLU 14 4.127 -18.019 5.955 1.00 34.23 ATOM 221 O GLU 14 4.329 -17.387 6.991 1.00 14.24 ATOM 222 N ALA 15 3.350 -17.572 4.974 1.00 14.14 ATOM 223 HN ALA 15 3.233 -18.110 4.157 1.00 37.69 ATOM 224 CA ALA 15 2.673 -16.284 5.063 1.00 41.23 ATOM 225 HA ALA 15 3.407 -15.529 5.317 1.00 75.32 ATOM 226 CB ALA 15 2.069 -15.912 3.717 1.00 41.43 ATOM 227 HB1 ALA 15 1.516 -14.985 3.802 1.00 1.14 ATOM 228 HB2 ALA 15 1.409 -16.700 3.394 1.00 43.04 ATOM 229 HB3 ALA 15 2.861 -15.791 2.992 1.00 72.32 ATOM 230 C ALA 15 1.595 -16.303 6.141 1.00 3.43 ATOM 231 O ALA 15 1.535 -15.410 6.987 1.00 20.44 ATOM 232 N ARG 16 0.746 -17.324 6.105 1.00 71.12 ATOM 233 HN ARG 16 0.840 -17.992 5.389 1.00 37.69 ATOM 234 CA ARG 16 -0.331 -17.457 7.078 1.00 31.44 ATOM 235 HA ARG 16 -0.848 -16.508 7.148 1.00 43.30 ATOM 236 CB ARG 16 -1.329 -18.524 6.624 1.00 51.01 ATOM 237 HB1 ARG 16 -1.745 -18.215 5.674 1.00 37.69 ATOM 238 HB2 ARG 16 -2.129 -18.594 7.349 1.00 65.14 ATOM 239 CG ARG 16 -0.712 -19.903 6.455 1.00 12.14 ATOM 240 HG1 ARG 16 -0.444 -20.287 7.422 1.00 37.69 ATOM 241 HG2 ARG 16 0.162 -19.832 5.842 1.00 1.10 ATOM 242 CD ARG 16 -1.681 -20.869 5.792 1.00 60.20 ATOM 243 HD1 ARG 16 -1.891 -20.497 4.799 1.00 37.69 ATOM 244 HD2 ARG 16 -2.597 -20.903 6.368 1.00 74.13 ATOM 245 NE ARG 16 -1.131 -22.219 5.701 1.00 32.20 ATOM 246 HE ARG 16 -0.385 -22.454 6.301 1.00 70.23 ATOM 247 CZ ARG 16 -1.586 -23.143 4.861 1.00 3.34 ATOM 248 NH1 ARG 16 -2.592 -22.863 4.044 1.00 21.14 ATOM 249 HH11 ARG 16 -3.036 -21.971 4.044 1.00 55.24 ATOM 250 HH12 ARG 16 -2.900 -23.554 3.395 1.00 35.03 ATOM 251 NH2 ARG 16 -1.033 -24.349 4.837 1.00 12.14 ATOM 252 HH21 ARG 16 -0.278 -24.566 5.448 1.00 74.34 ATOM 253 HH22 ARG 16 -1.374 -25.047 4.203 1.00 20.24 ATOM 254 C ARG 16 0.222 -17.816 8.455 1.00 74.13 ATOM 255 O ARG 16 -0.259 -17.324 9.476 1.00 14.14 ATOM 256 N LEU 17 1.234 -18.676 8.474 1.00 34.41 ATOM 257 HN LEU 17 1.581 -19.041 7.627 1.00 37.69 ATOM 258 CA LEU 17 1.852 -19.102 9.725 1.00 41.00 ATOM 259 HA LEU 17 1.102 -19.613 10.313 1.00 0.54 ATOM 260 CB LEU 17 3.003 -20.070 9.444 1.00 33.03 ATOM 261 HB1 LEU 17 3.573 -19.678 8.611 1.00 37.69 ATOM 262 HB2 LEU 17 2.574 -21.017 9.145 1.00 14.04 ATOM 263 CG LEU 17 3.968 -20.320 10.604 1.00 54.11 ATOM 264 HG LEU 17 4.441 -19.394 10.889 1.00 12.55 ATOM 265 CD1 LEU 17 3.220 -20.857 11.814 1.00 12.13 ATOM 266 HD11 LEU 17 2.796 -21.824 11.582 1.00 23.32 ATOM 267 HD12 LEU 17 2.431 -20.184 12.104 1.00 2.33 ATOM 268 HD13 LEU 17 3.912 -20.960 12.632 1.00 70.21 ATOM 269 CD2 LEU 17 5.068 -21.283 10.184 1.00 60.51 ATOM 270 HD21 LEU 17 5.726 -21.481 11.015 1.00 32.23 ATOM 271 HD22 LEU 17 5.638 -20.848 9.376 1.00 34.21 ATOM 272 HD23 LEU 17 4.628 -22.213 9.850 1.00 0.41 ATOM 273 C LEU 17 2.363 -17.902 10.516 1.00 44.15 ATOM 274 O LEU 17 2.343 -17.902 11.746 1.00 33.45 ATOM 275 N ASP 18 2.820 -16.880 9.800 1.00 13.21 ATOM 276 HN ASP 18 2.836 -16.941 8.816 1.00 37.69 ATOM 277 CA ASP 18 3.333 -15.671 10.435 1.00 64.45 ATOM 278 HA ASP 18 4.203 -15.947 11.017 1.00 53.23 ATOM 279 CB ASP 18 3.746 -14.649 9.374 1.00 31.14 ATOM 280 HB1 ASP 18 2.866 -14.278 8.865 1.00 37.69 ATOM 281 HB2 ASP 18 4.391 -15.132 8.655 1.00 43.53 ATOM 282 CG ASP 18 4.495 -13.472 9.966 1.00 2.52 ATOM 283 OD1 ASP 18 5.271 -13.681 10.922 1.00 20.43 ATOM 284 OD2 ASP 18 4.307 -12.340 9.473 1.00 74.23 ATOM 285 C ASP 18 2.291 -15.063 11.368 1.00 44.43 ATOM 286 O ASP 18 2.614 -14.626 12.473 1.00 33.01 ATOM 287 N ILE 19 1.043 -15.036 10.915 1.00 75.22 ATOM 288 HN ILE 19 0.846 -15.422 10.032 1.00 37.69 ATOM 289 CA ILE 19 -0.046 -14.481 11.709 1.00 11.04 ATOM 290 HA ILE 19 0.175 -13.437 11.898 1.00 40.24 ATOM 291 CB ILE 19 -1.389 -14.565 10.961 1.00 52.15 ATOM 292 HB ILE 19 -1.609 -15.607 10.786 1.00 43.12 ATOM 293 CG1 ILE 19 -1.294 -13.842 9.615 1.00 31.22 ATOM 294 HG11 ILE 19 -0.377 -14.104 9.111 1.00 37.69 ATOM 295 HG12 ILE 19 -1.306 -12.773 9.775 1.00 22.10 ATOM 296 CG2 ILE 19 -2.506 -13.973 11.808 1.00 61.52 ATOM 297 HG21 ILE 19 -2.679 -14.597 12.667 1.00 52.45 ATOM 298 HG22 ILE 19 -3.418 -13.921 11.230 1.00 23.14 ATOM 299 HG23 ILE 19 -2.234 -12.978 12.134 1.00 72.32 ATOM 300 CD1 ILE 19 -2.426 -14.176 8.669 1.00 42.13 ATOM 301 HD11 ILE 19 -2.238 -13.719 7.709 1.00 34.12 ATOM 302 HD12 ILE 19 -3.349 -13.795 9.071 1.00 72.42 ATOM 303 HD13 ILE 19 -2.498 -15.248 8.549 1.00 11.11 ATOM 304 C ILE 19 -0.176 -15.204 13.046 1.00 62.24 ATOM 305 O ILE 19 -0.203 -14.575 14.104 1.00 32.34 ATOM 306 N LEU 20 -0.253 -16.529 12.990 1.00 75.13 ATOM 307 HN LEU 20 -0.223 -16.977 12.110 1.00 37.69 ATOM 308 CA LEU 20 -0.378 -17.340 14.196 1.00 12.20 ATOM 309 HA LEU 20 -1.257 -17.010 14.735 1.00 60.22 ATOM 310 CB LEU 20 -0.543 -18.815 13.828 1.00 73.31 ATOM 311 HB1 LEU 20 -0.241 -19.417 14.680 1.00 37.69 ATOM 312 HB2 LEU 20 0.151 -19.026 13.022 1.00 31.54 ATOM 313 CG LEU 20 -1.947 -19.248 13.404 1.00 33.32 ATOM 314 HG LEU 20 -2.555 -18.381 13.253 1.00 41.21 ATOM 315 CD1 LEU 20 -1.896 -20.020 12.095 1.00 45.24 ATOM 316 HD11 LEU 20 -1.457 -19.400 11.326 1.00 24.04 ATOM 317 HD12 LEU 20 -2.898 -20.297 11.798 1.00 3.11 ATOM 318 HD13 LEU 20 -1.299 -20.913 12.220 1.00 0.44 ATOM 319 CD2 LEU 20 -2.598 -20.087 14.494 1.00 33.32 ATOM 320 HD21 LEU 20 -1.997 -20.965 14.689 1.00 52.31 ATOM 321 HD22 LEU 20 -3.586 -20.392 14.177 1.00 34.43 ATOM 322 HD23 LEU 20 -2.682 -19.500 15.396 1.00 2.31 ATOM 323 C LEU 20 0.838 -17.162 15.099 1.00 31.45 ATOM 324 O LEU 20 0.729 -17.219 16.325 1.00 55.54 ATOM 325 N LYS 21 1.997 -16.946 14.487 1.00 51.20 ATOM 326 HN LYS 21 2.033 -16.926 13.502 1.00 37.69 ATOM 327 CA LYS 21 3.234 -16.756 15.235 1.00 63.14 ATOM 328 HA LYS 21 3.345 -17.582 15.926 1.00 3.13 ATOM 329 CB LYS 21 4.432 -16.735 14.282 1.00 53.31 ATOM 330 HB1 LYS 21 5.286 -16.301 14.791 1.00 37.69 ATOM 331 HB2 LYS 21 4.190 -16.124 13.428 1.00 22.33 ATOM 332 CG LYS 21 4.839 -18.111 13.786 1.00 23.44 ATOM 333 HG1 LYS 21 3.998 -18.576 13.300 1.00 37.69 ATOM 334 HG2 LYS 21 5.130 -18.705 14.642 1.00 0.21 ATOM 335 CD LYS 21 5.999 -18.031 12.807 1.00 35.03 ATOM 336 HD1 LYS 21 6.676 -17.240 13.107 1.00 37.69 ATOM 337 HD2 LYS 21 5.613 -17.818 11.823 1.00 41.35 ATOM 338 CE LYS 21 6.778 -19.336 12.758 1.00 22.13 ATOM 339 HE1 LYS 21 6.103 -20.139 12.514 1.00 37.69 ATOM 340 HE2 LYS 21 7.212 -19.518 13.731 1.00 14.50 ATOM 341 NZ LYS 21 7.870 -19.292 11.747 1.00 63.12 ATOM 342 HZ1 LYS 21 8.382 -20.197 11.739 1.00 13.35 ATOM 343 HZ2 LYS 21 8.543 -18.531 11.973 1.00 75.22 ATOM 344 HZ3 LYS 21 7.478 -19.123 10.797 1.00 45.41 ATOM 345 C LYS 21 3.190 -15.462 16.041 1.00 33.11 ATOM 346 O LYS 21 3.726 -15.391 17.147 1.00 1.32 ATOM 347 N ILE 22 2.546 -14.443 15.481 1.00 25.22 ATOM 348 HN ILE 22 2.140 -14.550 14.589 1.00 37.69 ATOM 349 CA ILE 22 2.430 -13.153 16.150 1.00 23.42 ATOM 350 HA ILE 22 3.385 -12.916 16.609 1.00 10.41 ATOM 351 CB ILE 22 2.086 -12.031 15.153 1.00 33.23 ATOM 352 HB ILE 22 1.139 -12.275 14.689 1.00 62.15 ATOM 353 CG1 ILE 22 3.168 -11.925 14.077 1.00 70.20 ATOM 354 HG11 ILE 22 3.564 -12.902 13.846 1.00 37.69 ATOM 355 HG12 ILE 22 3.979 -11.303 14.433 1.00 12.44 ATOM 356 CG2 ILE 22 1.925 -10.706 15.883 1.00 52.23 ATOM 357 HG21 ILE 22 2.785 -10.525 16.514 1.00 1.13 ATOM 358 HG22 ILE 22 1.031 -10.723 16.488 1.00 64.51 ATOM 359 HG23 ILE 22 1.840 -9.902 15.163 1.00 64.20 ATOM 360 CD1 ILE 22 2.673 -11.327 12.779 1.00 53.01 ATOM 361 HD11 ILE 22 2.300 -10.330 12.961 1.00 53.42 ATOM 362 HD12 ILE 22 1.879 -11.941 12.379 1.00 71.11 ATOM 363 HD13 ILE 22 3.486 -11.283 12.070 1.00 45.52 ATOM 364 C ILE 22 1.365 -13.194 17.241 1.00 44.11 ATOM 365 O ILE 22 1.619 -12.818 18.386 1.00 42.43 ATOM 366 N HIS 23 0.172 -13.655 16.879 1.00 43.32 ATOM 367 HN HIS 23 0.029 -13.943 15.945 1.00 37.69 ATOM 368 CA HIS 23 -0.932 -13.747 17.828 1.00 63.15 ATOM 369 HA HIS 23 -1.113 -12.759 18.227 1.00 63.11 ATOM 370 CB HIS 23 -2.192 -14.257 17.128 1.00 40.12 ATOM 371 HB1 HIS 23 -2.866 -14.665 17.868 1.00 37.69 ATOM 372 HB2 HIS 23 -1.930 -15.029 16.420 1.00 52.12 ATOM 373 CG HIS 23 -2.948 -13.187 16.401 1.00 63.41 ATOM 374 ND1 HIS 23 -3.171 -11.933 16.928 1.00 33.12 ATOM 375 HD1 HIS 23 -2.878 -11.620 17.808 1.00 3.42 ATOM 376 CD2 HIS 23 -3.531 -13.190 15.180 1.00 71.05 ATOM 377 HD2 HIS 23 -3.567 -14.019 14.492 1.00 25.22 ATOM 378 CE1 HIS 23 -3.861 -11.211 16.063 1.00 32.04 ATOM 379 HE1 HIS 23 -4.180 -10.189 16.206 1.00 43.12 ATOM 380 NE2 HIS 23 -4.092 -11.950 14.994 1.00 70.55 ATOM 381 HE2 HIS 23 -4.663 -11.691 14.241 1.00 37.69 ATOM 382 C HIS 23 -0.573 -14.668 18.990 1.00 13.21 ATOM 383 O HIS 23 -1.089 -14.515 20.097 1.00 35.42 ATOM 384 N SER 24 0.313 -15.624 18.730 1.00 2.53 ATOM 385 HN SER 24 0.680 -15.723 17.823 1.00 37.69 ATOM 386 CA SER 24 0.737 -16.572 19.754 1.00 50.22 ATOM 387 HA SER 24 -0.114 -16.804 20.384 1.00 62.43 ATOM 388 CB SER 24 1.229 -17.867 19.106 1.00 22.52 ATOM 389 HB1 SER 24 0.457 -18.255 18.461 1.00 37.69 ATOM 390 HB2 SER 24 1.442 -18.583 19.854 1.00 41.22 ATOM 391 OG SER 24 2.395 -17.640 18.333 1.00 73.32 ATOM 392 HG SER 24 3.171 -17.673 18.898 1.00 44.12 ATOM 393 C SER 24 1.838 -15.975 20.625 1.00 42.12 ATOM 394 O SER 24 1.955 -16.300 21.807 1.00 52.25 ATOM 395 N ARG 25 2.644 -15.100 20.032 1.00 60.12 ATOM 396 HN ARG 25 2.524 -14.895 19.077 1.00 37.69 ATOM 397 CA ARG 25 3.737 -14.458 20.752 1.00 20.00 ATOM 398 HA ARG 25 4.416 -15.232 21.087 1.00 64.50 ATOM 399 CB ARG 25 4.482 -13.489 19.832 1.00 1.35 ATOM 400 HB1 ARG 25 4.864 -12.657 20.412 1.00 37.69 ATOM 401 HB2 ARG 25 3.798 -13.104 19.096 1.00 54.31 ATOM 402 CG ARG 25 5.663 -14.119 19.112 1.00 3.55 ATOM 403 HG1 ARG 25 5.386 -15.091 18.737 1.00 37.69 ATOM 404 HG2 ARG 25 6.473 -14.228 19.819 1.00 2.13 ATOM 405 CD ARG 25 6.135 -13.254 17.954 1.00 4.43 ATOM 406 HD1 ARG 25 5.987 -12.208 18.196 1.00 37.69 ATOM 407 HD2 ARG 25 5.551 -13.503 17.080 1.00 32.31 ATOM 408 NE ARG 25 7.549 -13.464 17.655 1.00 62.13 ATOM 409 HE ARG 25 8.062 -14.065 18.245 1.00 35.12 ATOM 410 CZ ARG 25 8.178 -12.890 16.635 1.00 74.44 ATOM 411 NH1 ARG 25 7.521 -12.075 15.821 1.00 31.11 ATOM 412 HH11 ARG 25 6.551 -11.877 15.955 1.00 45.23 ATOM 413 HH12 ARG 25 8.003 -11.646 15.054 1.00 32.34 ATOM 414 NH2 ARG 25 9.466 -13.132 16.427 1.00 12.51 ATOM 415 HH21 ARG 25 9.968 -13.748 17.038 1.00 22.44 ATOM 416 HH22 ARG 25 9.942 -12.700 15.658 1.00 33.53 ATOM 417 C ARG 25 3.217 -13.714 21.979 1.00 60.23 ATOM 418 O ARG 25 3.944 -13.516 22.953 1.00 75.52 ATOM 419 N LYS 26 1.955 -13.303 21.924 1.00 74.31 ATOM 420 HN LYS 26 1.423 -13.444 21.110 1.00 37.69 ATOM 421 CA LYS 26 1.336 -12.582 23.029 1.00 14.15 ATOM 422 HA LYS 26 2.095 -11.988 23.528 1.00 2.25 ATOM 423 CB LYS 26 0.247 -11.642 22.506 1.00 4.43 ATOM 424 HB1 LYS 26 -0.302 -11.223 23.342 1.00 37.69 ATOM 425 HB2 LYS 26 -0.436 -12.216 21.897 1.00 62.11 ATOM 426 CG LYS 26 0.785 -10.501 21.659 1.00 74.53 ATOM 427 HG1 LYS 26 -0.037 -10.090 21.087 1.00 37.69 ATOM 428 HG2 LYS 26 1.539 -10.880 20.981 1.00 73.33 ATOM 429 CD LYS 26 1.397 -9.408 22.518 1.00 31.22 ATOM 430 HD1 LYS 26 2.398 -9.703 22.797 1.00 37.69 ATOM 431 HD2 LYS 26 0.798 -9.269 23.410 1.00 24.12 ATOM 432 CE LYS 26 1.465 -8.085 21.772 1.00 54.32 ATOM 433 HE1 LYS 26 0.564 -7.954 21.185 1.00 37.69 ATOM 434 HE2 LYS 26 2.320 -8.102 21.114 1.00 0.42 ATOM 435 NZ LYS 26 1.597 -6.929 22.702 1.00 21.40 ATOM 436 HZ1 LYS 26 2.467 -7.017 23.268 1.00 32.32 ATOM 437 HZ2 LYS 26 0.780 -6.886 23.345 1.00 63.22 ATOM 438 HZ3 LYS 26 1.640 -6.042 22.161 1.00 41.14 ATOM 439 C LYS 26 0.740 -13.551 24.046 1.00 54.24 ATOM 440 O LYS 26 0.773 -13.300 25.250 1.00 40.21 ATOM 441 N MET 27 0.196 -14.659 23.552 1.00 3.30 ATOM 442 HN MET 27 0.191 -14.812 22.578 1.00 37.69 ATOM 443 CA MET 27 -0.404 -15.666 24.418 1.00 35.34 ATOM 444 HA MET 27 -0.809 -15.176 25.296 1.00 61.50 ATOM 445 CB MET 27 -1.549 -16.376 23.693 1.00 32.31 ATOM 446 HB1 MET 27 -1.995 -17.101 24.361 1.00 37.69 ATOM 447 HB2 MET 27 -1.134 -16.898 22.840 1.00 61.53 ATOM 448 CG MET 27 -2.646 -15.435 23.221 1.00 64.44 ATOM 449 HG1 MET 27 -2.246 -14.442 23.070 1.00 37.69 ATOM 450 HG2 MET 27 -3.412 -15.395 23.980 1.00 12.12 ATOM 451 SD MET 27 -3.407 -15.975 21.678 1.00 71.41 ATOM 452 CE MET 27 -3.632 -17.722 22.005 1.00 53.03 ATOM 453 HE1 MET 27 -2.674 -18.220 21.990 1.00 62.33 ATOM 454 HE2 MET 27 -4.269 -18.150 21.247 1.00 75.12 ATOM 455 HE3 MET 27 -4.090 -17.851 22.974 1.00 1.21 ATOM 456 C MET 27 0.637 -16.685 24.870 1.00 34.50 ATOM 457 O MET 27 1.789 -16.641 24.441 1.00 73.32 ATOM 458 N ASN 28 0.223 -17.602 25.739 1.00 72.32 ATOM 459 HN ASN 28 -0.715 -17.595 26.044 1.00 37.69 ATOM 460 CA ASN 28 1.121 -18.632 26.249 1.00 33.01 ATOM 461 HA ASN 28 2.143 -18.266 26.183 1.00 64.11 ATOM 462 CB ASN 28 0.806 -18.931 27.716 1.00 1.03 ATOM 463 HB1 ASN 28 1.291 -19.853 28.010 1.00 37.69 ATOM 464 HB2 ASN 28 -0.260 -19.033 27.836 1.00 12.31 ATOM 465 CG ASN 28 1.293 -17.837 28.647 1.00 42.14 ATOM 466 OD1 ASN 28 1.786 -16.801 28.200 1.00 0.20 ATOM 467 ND2 ASN 28 1.157 -18.063 29.948 1.00 23.10 ATOM 468 HD21 ASN 28 0.758 -18.908 30.238 1.00 30.34 ATOM 469 HD22 ASN 28 1.464 -17.370 30.569 1.00 63.21 ATOM 470 C ASN 28 1.009 -19.910 25.423 1.00 54.32 ATOM 471 O ASN 28 -0.091 -20.345 25.078 1.00 50.53 ATOM 472 N LEU 29 2.153 -20.507 25.109 1.00 31.02 ATOM 473 HN LEU 29 3.007 -20.116 25.405 1.00 37.69 ATOM 474 CA LEU 29 2.184 -21.736 24.324 1.00 43.02 ATOM 475 HA LEU 29 1.174 -22.068 24.152 1.00 33.13 ATOM 476 CB LEU 29 2.841 -21.480 22.966 1.00 33.20 ATOM 477 HB1 LEU 29 2.558 -22.288 22.311 1.00 37.69 ATOM 478 HB2 LEU 29 3.919 -21.508 23.096 1.00 4.21 ATOM 479 CG LEU 29 2.482 -20.158 22.286 1.00 64.53 ATOM 480 HG LEU 29 2.678 -19.340 22.963 1.00 32.22 ATOM 481 CD1 LEU 29 3.340 -19.945 21.048 1.00 23.42 ATOM 482 HD11 LEU 29 4.379 -20.139 21.284 1.00 65.12 ATOM 483 HD12 LEU 29 3.246 -18.923 20.720 1.00 30.42 ATOM 484 HD13 LEU 29 3.023 -20.611 20.256 1.00 52.11 ATOM 485 CD2 LEU 29 1.005 -20.128 21.924 1.00 34.30 ATOM 486 HD21 LEU 29 0.407 -20.453 22.759 1.00 62.50 ATOM 487 HD22 LEU 29 0.816 -20.779 21.081 1.00 70.43 ATOM 488 HD23 LEU 29 0.723 -19.120 21.668 1.00 2.11 ATOM 489 C LEU 29 2.936 -22.837 25.065 1.00 34.03 ATOM 490 O LEU 29 3.796 -22.562 25.902 1.00 21.03 ATOM 491 N THR 30 2.606 -24.086 24.751 1.00 23.21 ATOM 492 HN THR 30 1.901 -24.241 24.079 1.00 37.69 ATOM 493 CA THR 30 3.250 -25.229 25.386 1.00 21.12 ATOM 494 HA THR 30 3.083 -25.162 26.453 1.00 11.11 ATOM 495 CB THR 30 2.650 -26.559 24.891 1.00 12.45 ATOM 496 HB THR 30 1.595 -26.556 25.100 1.00 14.24 ATOM 497 OG1 THR 30 3.255 -27.657 25.583 1.00 15.34 ATOM 498 HG1 THR 30 2.848 -27.758 26.447 1.00 72.03 ATOM 499 CG2 THR 30 2.856 -26.721 23.393 1.00 23.21 ATOM 500 HG21 THR 30 2.232 -26.014 22.874 1.00 40.25 ATOM 501 HG22 THR 30 2.566 -27.721 23.106 1.00 54.21 ATOM 502 HG23 THR 30 3.889 -26.565 23.122 1.00 42.32 ATOM 503 C THR 30 4.751 -25.232 25.121 1.00 62.35 ATOM 504 O THR 30 5.241 -24.498 24.262 1.00 33.10 ATOM 505 N ARG 31 5.477 -26.063 25.862 1.00 72.24 ATOM 506 HN ARG 31 5.026 -26.638 26.526 1.00 37.69 ATOM 507 CA ARG 31 6.923 -26.161 25.706 1.00 61.22 ATOM 508 HA ARG 31 7.320 -25.166 25.547 1.00 2.14 ATOM 509 CB ARG 31 7.554 -26.757 26.966 1.00 40.32 ATOM 510 HB1 ARG 31 8.589 -27.012 26.768 1.00 37.69 ATOM 511 HB2 ARG 31 7.019 -27.658 27.227 1.00 1.21 ATOM 512 CG ARG 31 7.517 -25.823 28.165 1.00 64.23 ATOM 513 HG1 ARG 31 7.887 -26.354 29.030 1.00 37.69 ATOM 514 HG2 ARG 31 6.497 -25.513 28.341 1.00 45.10 ATOM 515 CD ARG 31 8.376 -24.589 27.936 1.00 13.12 ATOM 516 HD1 ARG 31 7.836 -23.903 27.300 1.00 37.69 ATOM 517 HD2 ARG 31 9.297 -24.885 27.446 1.00 63.45 ATOM 518 NE ARG 31 8.708 -23.914 29.188 1.00 53.42 ATOM 519 HE ARG 31 8.265 -24.225 30.012 1.00 41.41 ATOM 520 CZ ARG 31 9.569 -22.906 29.273 1.00 24.33 ATOM 521 NH1 ARG 31 10.182 -22.460 28.186 1.00 44.22 ATOM 522 HH11 ARG 31 10.013 -22.864 27.289 1.00 44.52 ATOM 523 HH12 ARG 31 10.831 -21.700 28.261 1.00 71.33 ATOM 524 NH2 ARG 31 9.819 -22.343 30.449 1.00 61.24 ATOM 525 HH21 ARG 31 9.360 -22.676 31.275 1.00 53.14 ATOM 526 HH22 ARG 31 10.468 -21.582 30.516 1.00 73.41 ATOM 527 C ARG 31 7.283 -27.014 24.492 1.00 14.33 ATOM 528 O ARG 31 7.754 -28.142 24.631 1.00 54.31 ATOM 529 N GLY 32 7.056 -26.466 23.302 1.00 3.42 ATOM 530 HN GLY 32 6.713 -25.549 23.247 1.00 37.69 ATOM 531 CA GLY 32 7.361 -27.190 22.082 1.00 3.50 ATOM 532 HA1 GLY 32 7.659 -28.208 22.303 1.00 37.69 ATOM 533 HA2 GLY 32 8.182 -26.694 21.587 1.00 45.13 ATOM 534 C GLY 32 6.186 -27.236 21.126 1.00 33.12 ATOM 535 O GLY 32 5.954 -28.249 20.465 1.00 25.03 ATOM 536 N ILE 33 5.440 -26.138 21.054 1.00 64.54 ATOM 537 HN ILE 33 5.683 -25.348 21.581 1.00 37.69 ATOM 538 CA ILE 33 4.282 -26.059 20.172 1.00 3.02 ATOM 539 HA ILE 33 3.700 -26.968 20.303 1.00 2.22 ATOM 540 CB ILE 33 3.385 -24.859 20.528 1.00 44.41 ATOM 541 HB ILE 33 3.204 -24.863 21.580 1.00 4.54 ATOM 542 CG1 ILE 33 2.053 -24.951 19.782 1.00 73.01 ATOM 543 HG11 ILE 33 1.559 -25.866 20.055 1.00 37.69 ATOM 544 HG12 ILE 33 2.222 -24.939 18.718 1.00 44.32 ATOM 545 CG2 ILE 33 4.093 -23.553 20.199 1.00 3.30 ATOM 546 HG21 ILE 33 3.532 -22.729 20.598 1.00 54.20 ATOM 547 HG22 ILE 33 4.176 -23.428 19.128 1.00 42.31 ATOM 548 HG23 ILE 33 5.081 -23.547 20.636 1.00 5.43 ATOM 549 CD1 ILE 33 1.105 -23.814 20.095 1.00 70.33 ATOM 550 HD11 ILE 33 0.955 -23.744 21.163 1.00 21.24 ATOM 551 HD12 ILE 33 0.172 -24.015 19.614 1.00 1.22 ATOM 552 HD13 ILE 33 1.507 -22.884 19.722 1.00 4.32 ATOM 553 C ILE 33 4.709 -25.945 18.713 1.00 61.54 ATOM 554 O ILE 33 5.727 -25.329 18.399 1.00 33.42 ATOM 555 N ASN 34 3.922 -26.543 17.824 1.00 64.14 ATOM 556 HN ASN 34 3.117 -27.023 18.126 1.00 37.69 ATOM 557 CA ASN 34 4.218 -26.508 16.396 1.00 70.21 ATOM 558 HA ASN 34 5.126 -25.932 16.241 1.00 34.31 ATOM 559 CB ASN 34 4.437 -27.926 15.864 1.00 34.12 ATOM 560 HB1 ASN 34 3.541 -28.303 15.406 1.00 37.69 ATOM 561 HB2 ASN 34 4.702 -28.577 16.687 1.00 23.51 ATOM 562 CG ASN 34 5.561 -27.996 14.849 1.00 21.02 ATOM 563 OD1 ASN 34 6.724 -27.764 15.178 1.00 4.30 ATOM 564 ND2 ASN 34 5.218 -28.317 13.607 1.00 33.33 ATOM 565 HD21 ASN 34 4.273 -28.492 13.398 1.00 44.11 ATOM 566 HD22 ASN 34 5.932 -28.367 12.937 1.00 71.40 ATOM 567 C ASN 34 3.090 -25.832 15.623 1.00 12.42 ATOM 568 O ASN 34 2.105 -26.472 15.253 1.00 71.11 ATOM 569 N LEU 35 3.240 -24.534 15.383 1.00 43.15 ATOM 570 HN LEU 35 4.070 -24.087 15.674 1.00 37.69 ATOM 571 CA LEU 35 2.235 -23.769 14.653 1.00 73.41 ATOM 572 HA LEU 35 1.275 -23.984 15.076 1.00 22.41 ATOM 573 CB LEU 35 2.496 -22.270 14.806 1.00 53.15 ATOM 574 HB1 LEU 35 1.667 -21.727 14.370 1.00 37.69 ATOM 575 HB2 LEU 35 3.386 -22.048 14.236 1.00 4.10 ATOM 576 CG LEU 35 2.727 -21.771 16.232 1.00 1.32 ATOM 577 HG LEU 35 3.291 -22.498 16.795 1.00 31.54 ATOM 578 CD1 LEU 35 3.538 -20.484 16.223 1.00 61.24 ATOM 579 HD11 LEU 35 3.002 -19.720 15.678 1.00 21.21 ATOM 580 HD12 LEU 35 4.493 -20.661 15.747 1.00 22.01 ATOM 581 HD13 LEU 35 3.704 -20.151 17.238 1.00 2.43 ATOM 582 CD2 LEU 35 1.400 -21.561 16.946 1.00 74.12 ATOM 583 HD21 LEU 35 0.818 -20.813 16.424 1.00 20.11 ATOM 584 HD22 LEU 35 1.581 -21.232 17.960 1.00 75.41 ATOM 585 HD23 LEU 35 0.850 -22.491 16.969 1.00 11.04 ATOM 586 C LEU 35 2.229 -24.148 13.175 1.00 33.34 ATOM 587 O LEU 35 1.202 -24.051 12.504 1.00 74.13 ATOM 588 N ARG 36 3.382 -24.582 12.676 1.00 35.24 ATOM 589 HN ARG 36 4.182 -24.618 13.250 1.00 37.69 ATOM 590 CA ARG 36 3.509 -24.977 11.279 1.00 52.02 ATOM 591 HA ARG 36 3.359 -24.094 10.672 1.00 51.03 ATOM 592 CB ARG 36 4.906 -25.539 11.011 1.00 71.43 ATOM 593 HB1 ARG 36 4.986 -26.530 11.440 1.00 37.69 ATOM 594 HB2 ARG 36 5.630 -24.894 11.493 1.00 23.11 ATOM 595 CG ARG 36 5.255 -25.625 9.534 1.00 40.01 ATOM 596 HG1 ARG 36 5.074 -24.667 9.074 1.00 37.69 ATOM 597 HG2 ARG 36 4.625 -26.370 9.071 1.00 72.35 ATOM 598 CD ARG 36 6.709 -26.018 9.327 1.00 5.31 ATOM 599 HD1 ARG 36 6.911 -26.918 9.895 1.00 37.69 ATOM 600 HD2 ARG 36 7.345 -25.223 9.690 1.00 11.04 ATOM 601 NE ARG 36 7.011 -26.282 7.923 1.00 74.42 ATOM 602 HE ARG 36 7.159 -27.218 7.663 1.00 53.00 ATOM 603 CZ ARG 36 7.093 -25.333 6.997 1.00 24.23 ATOM 604 NH1 ARG 36 6.899 -24.063 7.326 1.00 61.51 ATOM 605 HH11 ARG 36 6.701 -23.784 8.258 1.00 64.33 ATOM 606 HH12 ARG 36 6.953 -23.359 6.615 1.00 23.53 ATOM 607 NH2 ARG 36 7.372 -25.653 5.740 1.00 74.21 ATOM 608 HH21 ARG 36 7.522 -26.611 5.485 1.00 31.34 ATOM 609 HH22 ARG 36 7.434 -24.939 5.040 1.00 34.32 ATOM 610 C ARG 36 2.452 -26.013 10.908 1.00 31.21 ATOM 611 O ARG 36 1.864 -25.957 9.828 1.00 73.51 ATOM 612 N LYS 37 2.216 -26.959 11.811 1.00 31.01 ATOM 613 HN LYS 37 2.721 -26.960 12.659 1.00 37.69 ATOM 614 CA LYS 37 1.230 -28.008 11.581 1.00 71.20 ATOM 615 HA LYS 37 1.380 -28.407 10.585 1.00 52.32 ATOM 616 CB LYS 37 1.415 -29.141 12.593 1.00 62.43 ATOM 617 HB1 LYS 37 1.427 -28.722 13.590 1.00 37.69 ATOM 618 HB2 LYS 37 2.370 -29.612 12.405 1.00 54.55 ATOM 619 CG LYS 37 0.341 -30.212 12.510 1.00 31.04 ATOM 620 HG1 LYS 37 0.789 -31.169 12.744 1.00 37.69 ATOM 621 HG2 LYS 37 -0.057 -30.248 11.502 1.00 44.10 ATOM 622 CD LYS 37 -0.801 -29.931 13.473 1.00 71.25 ATOM 623 HD1 LYS 37 -1.730 -30.198 12.991 1.00 37.69 ATOM 624 HD2 LYS 37 -0.827 -28.885 13.738 1.00 72.30 ATOM 625 CE LYS 37 -0.662 -30.739 14.754 1.00 44.40 ATOM 626 HE1 LYS 37 -1.086 -30.171 15.568 1.00 37.69 ATOM 627 HE2 LYS 37 0.382 -30.928 14.956 1.00 25.43 ATOM 628 NZ LYS 37 -1.366 -32.048 14.664 1.00 2.32 ATOM 629 HZ1 LYS 37 -0.972 -32.618 13.886 1.00 53.03 ATOM 630 HZ2 LYS 37 -2.382 -31.902 14.492 1.00 11.32 ATOM 631 HZ3 LYS 37 -1.252 -32.574 15.554 1.00 60.34 ATOM 632 C LYS 37 -0.188 -27.453 11.677 1.00 23.42 ATOM 633 O LYS 37 -1.102 -27.944 11.014 1.00 12.42 ATOM 634 N ILE 38 -0.362 -26.429 12.505 1.00 51.53 ATOM 635 HN ILE 38 0.405 -26.077 12.993 1.00 37.69 ATOM 636 CA ILE 38 -1.668 -25.806 12.685 1.00 62.24 ATOM 637 HA ILE 38 -2.370 -26.577 12.981 1.00 35.21 ATOM 638 CB ILE 38 -1.631 -24.728 13.783 1.00 2.43 ATOM 639 HB ILE 38 -1.040 -23.893 13.439 1.00 63.43 ATOM 640 CG1 ILE 38 -0.992 -25.287 15.056 1.00 1.21 ATOM 641 HG11 ILE 38 -1.006 -24.529 15.827 1.00 37.69 ATOM 642 HG12 ILE 38 0.020 -25.560 14.860 1.00 3.31 ATOM 643 CG2 ILE 38 -3.034 -24.215 14.070 1.00 73.03 ATOM 644 HG21 ILE 38 -3.449 -23.764 13.181 1.00 74.15 ATOM 645 HG22 ILE 38 -2.991 -23.465 14.844 1.00 71.40 ATOM 646 HG23 ILE 38 -3.673 -25.023 14.388 1.00 2.11 ATOM 647 CD1 ILE 38 -1.698 -26.509 15.600 1.00 14.32 ATOM 648 HD11 ILE 38 -2.710 -26.581 15.236 1.00 42.11 ATOM 649 HD12 ILE 38 -1.716 -26.456 16.674 1.00 24.14 ATOM 650 HD13 ILE 38 -1.152 -27.391 15.303 1.00 24.40 ATOM 651 C ILE 38 -2.160 -25.176 11.386 1.00 72.50 ATOM 652 O ILE 38 -3.194 -25.570 10.847 1.00 52.53 ATOM 653 N ALA 39 -1.411 -24.198 10.888 1.00 14.12 ATOM 654 HN ALA 39 -0.584 -23.934 11.358 1.00 37.69 ATOM 655 CA ALA 39 -1.769 -23.516 9.651 1.00 73.14 ATOM 656 HA ALA 39 -2.704 -22.997 9.812 1.00 23.10 ATOM 657 CB ALA 39 -0.712 -22.482 9.293 1.00 60.23 ATOM 658 HB1 ALA 39 0.240 -22.971 9.146 1.00 11.50 ATOM 659 HB2 ALA 39 -0.627 -21.763 10.094 1.00 12.23 ATOM 660 HB3 ALA 39 -1.000 -21.976 8.387 1.00 60.10 ATOM 661 C ALA 39 -1.948 -24.510 8.508 1.00 21.21 ATOM 662 O ALA 39 -2.752 -24.291 7.603 1.00 13.22 ATOM 663 N GLU 40 -1.192 -25.603 8.557 1.00 51.34 ATOM 664 HN GLU 40 -0.537 -25.714 9.284 1.00 37.69 ATOM 665 CA GLU 40 -1.267 -26.629 7.524 1.00 71.23 ATOM 666 HA GLU 40 -1.026 -26.172 6.584 1.00 1.32 ATOM 667 CB GLU 40 -0.272 -27.754 7.818 1.00 14.00 ATOM 668 HB1 GLU 40 -0.660 -28.697 7.447 1.00 37.69 ATOM 669 HB2 GLU 40 -0.138 -27.838 8.882 1.00 44.22 ATOM 670 CG GLU 40 1.097 -27.533 7.199 1.00 43.25 ATOM 671 HG1 GLU 40 1.797 -28.212 7.664 1.00 37.69 ATOM 672 HG2 GLU 40 1.413 -26.515 7.385 1.00 21.23 ATOM 673 CD GLU 40 1.107 -27.778 5.702 1.00 23.42 ATOM 674 OE1 GLU 40 1.707 -28.786 5.271 1.00 14.30 ATOM 675 OE2 GLU 40 0.517 -26.964 4.963 1.00 53.22 ATOM 676 C GLU 40 -2.680 -27.198 7.423 1.00 4.13 ATOM 677 O GLU 40 -3.096 -27.674 6.366 1.00 22.24 ATOM 678 N LEU 41 -3.412 -27.145 8.530 1.00 31.02 ATOM 679 HN LEU 41 -3.026 -26.790 9.359 1.00 37.69 ATOM 680 CA LEU 41 -4.778 -27.655 8.569 1.00 54.04 ATOM 681 HA LEU 41 -4.827 -28.556 7.969 1.00 51.40 ATOM 682 CB LEU 41 -5.173 -28.006 10.004 1.00 4.24 ATOM 683 HB1 LEU 41 -6.210 -28.326 10.008 1.00 37.69 ATOM 684 HB2 LEU 41 -5.104 -27.097 10.590 1.00 12.44 ATOM 685 CG LEU 41 -4.332 -29.085 10.687 1.00 64.44 ATOM 686 HG LEU 41 -3.290 -28.937 10.440 1.00 43.02 ATOM 687 CD1 LEU 41 -4.468 -28.992 12.198 1.00 22.24 ATOM 688 HD11 LEU 41 -3.860 -29.754 12.665 1.00 64.31 ATOM 689 HD12 LEU 41 -5.502 -29.136 12.482 1.00 1.43 ATOM 690 HD13 LEU 41 -4.137 -28.018 12.532 1.00 24.32 ATOM 691 CD2 LEU 41 -4.739 -30.467 10.197 1.00 62.53 ATOM 692 HD21 LEU 41 -4.120 -31.217 10.670 1.00 33.44 ATOM 693 HD22 LEU 41 -4.608 -30.524 9.125 1.00 20.41 ATOM 694 HD23 LEU 41 -5.776 -30.651 10.442 1.00 75.22 ATOM 695 C LEU 41 -5.757 -26.635 7.995 1.00 3.35 ATOM 696 O LEU 41 -6.956 -26.895 7.900 1.00 23.45 ATOM 697 N MET 42 -5.236 -25.473 7.613 1.00 30.30 ATOM 698 HN MET 42 -4.296 -25.289 7.721 1.00 37.69 ATOM 699 CA MET 42 -6.064 -24.415 7.046 1.00 64.14 ATOM 700 HA MET 42 -7.089 -24.726 7.039 1.00 51.30 ATOM 701 CB MET 42 -5.963 -23.148 7.897 1.00 13.10 ATOM 702 HB1 MET 42 -6.638 -22.419 7.506 1.00 37.69 ATOM 703 HB2 MET 42 -4.952 -22.765 7.826 1.00 62.01 ATOM 704 CG MET 42 -6.302 -23.372 9.362 1.00 42.31 ATOM 705 HG1 MET 42 -5.890 -24.314 9.691 1.00 37.69 ATOM 706 HG2 MET 42 -7.373 -23.394 9.460 1.00 2.41 ATOM 707 SD MET 42 -5.654 -22.072 10.431 1.00 53.12 ATOM 708 CE MET 42 -6.869 -20.782 10.169 1.00 31.03 ATOM 709 HE1 MET 42 -6.769 -20.038 10.936 1.00 14.54 ATOM 710 HE2 MET 42 -7.862 -21.204 10.199 1.00 1.30 ATOM 711 HE3 MET 42 -6.699 -20.327 9.211 1.00 23.30 ATOM 712 C MET 42 -5.648 -24.111 5.610 1.00 74.13 ATOM 713 O MET 42 -5.107 -23.048 5.307 1.00 53.44 ATOM 714 N PRO 43 -5.906 -25.066 4.703 1.00 11.34 ATOM 715 CA PRO 43 -5.567 -24.922 3.284 1.00 32.34 ATOM 716 HA PRO 43 -4.531 -24.673 3.147 1.00 61.01 ATOM 717 CB PRO 43 -5.834 -26.317 2.713 1.00 21.33 ATOM 718 HB1 PRO 43 -4.918 -26.888 2.725 1.00 37.69 ATOM 719 HB2 PRO 43 -6.205 -26.254 1.697 1.00 15.44 ATOM 720 CG PRO 43 -6.846 -26.914 3.629 1.00 72.31 ATOM 721 HG1 PRO 43 -6.748 -27.989 3.633 1.00 37.69 ATOM 722 HG2 PRO 43 -7.839 -26.628 3.315 1.00 63.34 ATOM 723 CD PRO 43 -6.549 -26.358 4.994 1.00 22.40 ATOM 724 HD1 PRO 43 -5.872 -27.018 5.505 1.00 37.69 ATOM 725 HD2 PRO 43 -7.462 -26.231 5.554 1.00 41.14 ATOM 726 C PRO 43 -6.437 -23.884 2.583 1.00 65.42 ATOM 727 O PRO 43 -6.203 -23.547 1.423 1.00 10.52 ATOM 728 N GLY 44 -7.441 -23.381 3.295 1.00 63.24 ATOM 729 HN GLY 44 -7.646 -23.723 4.186 1.00 37.69 ATOM 730 CA GLY 44 -8.329 -22.386 2.723 1.00 34.43 ATOM 731 HA1 GLY 44 -9.171 -22.891 2.273 1.00 37.69 ATOM 732 HA2 GLY 44 -7.811 -21.821 1.956 1.00 21.13 ATOM 733 C GLY 44 -8.848 -21.409 3.759 1.00 1.13 ATOM 734 O GLY 44 -10.056 -21.289 3.959 1.00 52.40 ATOM 735 N ALA 45 -7.932 -20.710 4.421 1.00 1.35 ATOM 736 HN ALA 45 -6.977 -20.843 4.223 1.00 37.69 ATOM 737 CA ALA 45 -8.303 -19.738 5.442 1.00 14.23 ATOM 738 HA ALA 45 -9.382 -19.714 5.545 1.00 22.34 ATOM 739 CB ALA 45 -7.726 -20.142 6.791 1.00 52.02 ATOM 740 HB1 ALA 45 -6.654 -20.250 6.708 1.00 32.15 ATOM 741 HB2 ALA 45 -8.161 -21.082 7.090 1.00 22.33 ATOM 742 HB3 ALA 45 -7.957 -19.396 7.537 1.00 51.44 ATOM 743 C ALA 45 -7.835 -18.337 5.063 1.00 54.02 ATOM 744 O ALA 45 -7.233 -18.138 4.008 1.00 52.12 ATOM 745 N SER 46 -8.117 -17.369 5.929 1.00 21.02 ATOM 746 HN SER 46 -8.630 -17.573 6.735 1.00 37.69 ATOM 747 CA SER 46 -7.728 -15.985 5.682 1.00 34.42 ATOM 748 HA SER 46 -6.922 -15.965 4.959 1.00 1.13 ATOM 749 CB SER 46 -8.911 -15.194 5.118 1.00 25.55 ATOM 750 HB1 SER 46 -9.198 -15.616 4.165 1.00 37.69 ATOM 751 HB2 SER 46 -8.627 -14.159 4.979 1.00 50.23 ATOM 752 OG SER 46 -10.024 -15.250 5.993 1.00 54.33 ATOM 753 HG SER 46 -10.488 -16.083 5.873 1.00 62.53 ATOM 754 C SER 46 -7.225 -15.326 6.962 1.00 2.34 ATOM 755 O SER 46 -7.341 -15.888 8.051 1.00 43.43 ATOM 756 N GLY 47 -6.664 -14.128 6.823 1.00 73.12 ATOM 757 HN GLY 47 -6.593 -13.717 5.932 1.00 37.69 ATOM 758 CA GLY 47 -6.151 -13.411 7.975 1.00 43.51 ATOM 759 HA1 GLY 47 -5.798 -12.442 7.655 1.00 37.69 ATOM 760 HA2 GLY 47 -5.325 -13.965 8.390 1.00 73.14 ATOM 761 C GLY 47 -7.199 -13.219 9.053 1.00 2.10 ATOM 762 O GLY 47 -6.875 -13.158 10.239 1.00 52.43 ATOM 763 N ALA 48 -8.459 -13.122 8.641 1.00 64.31 ATOM 764 HN ALA 48 -8.664 -13.150 7.678 1.00 37.69 ATOM 765 CA ALA 48 -9.558 -12.937 9.580 1.00 5.33 ATOM 766 HA ALA 48 -9.280 -12.162 10.285 1.00 73.04 ATOM 767 CB ALA 48 -10.806 -12.469 8.847 1.00 62.35 ATOM 768 HB1 ALA 48 -11.597 -12.279 9.559 1.00 63.12 ATOM 769 HB2 ALA 48 -11.125 -13.230 8.148 1.00 13.52 ATOM 770 HB3 ALA 48 -10.584 -11.560 8.308 1.00 63.31 ATOM 771 C ALA 48 -9.844 -14.221 10.351 1.00 72.13 ATOM 772 O ALA 48 -9.993 -14.202 11.572 1.00 73.31 ATOM 773 N GLU 49 -9.920 -15.335 9.628 1.00 14.53 ATOM 774 HN GLU 49 -9.795 -15.288 8.650 1.00 37.69 ATOM 775 CA GLU 49 -10.191 -16.628 10.246 1.00 50.44 ATOM 776 HA GLU 49 -11.115 -16.548 10.806 1.00 43.40 ATOM 777 CB GLU 49 -10.349 -17.707 9.172 1.00 10.25 ATOM 778 HB1 GLU 49 -10.284 -18.688 9.631 1.00 37.69 ATOM 779 HB2 GLU 49 -9.543 -17.606 8.471 1.00 23.44 ATOM 780 CG GLU 49 -11.658 -17.616 8.406 1.00 30.33 ATOM 781 HG1 GLU 49 -11.496 -17.998 7.409 1.00 37.69 ATOM 782 HG2 GLU 49 -11.973 -16.583 8.342 1.00 10.25 ATOM 783 CD GLU 49 -12.769 -18.422 9.051 1.00 24.35 ATOM 784 OE1 GLU 49 -12.970 -19.586 8.644 1.00 54.52 ATOM 785 OE2 GLU 49 -13.436 -17.891 9.963 1.00 2.51 ATOM 786 C GLU 49 -9.074 -17.014 11.211 1.00 60.23 ATOM 787 O GLU 49 -9.328 -17.552 12.289 1.00 40.33 ATOM 788 N VAL 50 -7.836 -16.737 10.815 1.00 64.11 ATOM 789 HN VAL 50 -7.695 -16.303 9.942 1.00 37.69 ATOM 790 CA VAL 50 -6.679 -17.055 11.644 1.00 40.33 ATOM 791 HA VAL 50 -6.615 -18.128 11.734 1.00 53.25 ATOM 792 CB VAL 50 -5.374 -16.539 11.008 1.00 13.21 ATOM 793 HB VAL 50 -5.444 -15.465 10.904 1.00 44.10 ATOM 794 CG1 VAL 50 -4.184 -16.853 11.901 1.00 31.45 ATOM 795 HG11 VAL 50 -4.236 -17.884 12.219 1.00 14.52 ATOM 796 HG12 VAL 50 -4.193 -16.208 12.766 1.00 24.43 ATOM 797 HG13 VAL 50 -3.266 -16.697 11.358 1.00 33.32 ATOM 798 CG2 VAL 50 -5.184 -17.137 9.622 1.00 33.35 ATOM 799 HG21 VAL 50 -6.092 -17.601 9.267 1.00 10.32 ATOM 800 HG22 VAL 50 -4.400 -17.884 9.636 1.00 13.14 ATOM 801 HG23 VAL 50 -4.904 -16.350 8.938 1.00 10.14 ATOM 802 C VAL 50 -6.822 -16.458 13.039 1.00 12.32 ATOM 803 O VAL 50 -6.531 -17.113 14.040 1.00 10.11 ATOM 804 N LYS 51 -7.274 -15.209 13.099 1.00 25.51 ATOM 805 HN LYS 51 -7.479 -14.727 12.263 1.00 37.69 ATOM 806 CA LYS 51 -7.458 -14.522 14.372 1.00 71.42 ATOM 807 HA LYS 51 -6.489 -14.447 14.850 1.00 74.43 ATOM 808 CB LYS 51 -8.014 -13.116 14.140 1.00 54.24 ATOM 809 HB1 LYS 51 -9.065 -13.176 13.878 1.00 37.69 ATOM 810 HB2 LYS 51 -7.481 -12.675 13.307 1.00 44.11 ATOM 811 CG LYS 51 -7.845 -12.190 15.332 1.00 74.20 ATOM 812 HG1 LYS 51 -7.720 -11.178 14.969 1.00 37.69 ATOM 813 HG2 LYS 51 -6.960 -12.475 15.889 1.00 65.51 ATOM 814 CD LYS 51 -9.045 -12.254 16.262 1.00 54.12 ATOM 815 HD1 LYS 51 -8.710 -12.038 17.265 1.00 37.69 ATOM 816 HD2 LYS 51 -9.492 -13.233 16.244 1.00 3.31 ATOM 817 CE LYS 51 -10.102 -11.229 15.879 1.00 73.42 ATOM 818 HE1 LYS 51 -10.182 -11.178 14.800 1.00 37.69 ATOM 819 HE2 LYS 51 -9.804 -10.265 16.261 1.00 21.00 ATOM 820 NZ LYS 51 -11.439 -11.576 16.437 1.00 3.32 ATOM 821 HZ1 LYS 51 -11.398 -11.615 17.477 1.00 1.23 ATOM 822 HZ2 LYS 51 -11.753 -12.502 16.078 1.00 22.32 ATOM 823 HZ3 LYS 51 -12.137 -10.857 16.157 1.00 74.11 ATOM 824 C LYS 51 -8.396 -15.307 15.283 1.00 72.51 ATOM 825 O LYS 51 -8.167 -15.408 16.488 1.00 53.15 ATOM 826 N GLY 52 -9.453 -15.864 14.699 1.00 71.03 ATOM 827 HN GLY 52 -9.607 -15.748 13.735 1.00 37.69 ATOM 828 CA GLY 52 -10.409 -16.634 15.473 1.00 61.20 ATOM 829 HA1 GLY 52 -11.232 -16.909 14.830 1.00 37.69 ATOM 830 HA2 GLY 52 -10.789 -16.024 16.282 1.00 30.15 ATOM 831 C GLY 52 -9.803 -17.897 16.052 1.00 64.22 ATOM 832 O GLY 52 -10.174 -18.329 17.143 1.00 73.51 ATOM 833 N VAL 53 -8.867 -18.492 15.319 1.00 62.32 ATOM 834 HN VAL 53 -8.609 -18.101 14.453 1.00 37.69 ATOM 835 CA VAL 53 -8.208 -19.714 15.765 1.00 10.04 ATOM 836 HA VAL 53 -8.966 -20.478 15.893 1.00 3.13 ATOM 837 CB VAL 53 -7.187 -20.213 14.726 1.00 71.32 ATOM 838 HB VAL 53 -6.433 -19.454 14.589 1.00 64.22 ATOM 839 CG1 VAL 53 -6.497 -21.476 15.219 1.00 43.21 ATOM 840 HG11 VAL 53 -5.896 -21.258 16.088 1.00 54.24 ATOM 841 HG12 VAL 53 -5.853 -21.864 14.440 1.00 63.42 ATOM 842 HG13 VAL 53 -7.237 -22.222 15.470 1.00 51.41 ATOM 843 CG2 VAL 53 -7.866 -20.456 13.386 1.00 14.44 ATOM 844 HG21 VAL 53 -8.816 -20.954 13.533 1.00 1.02 ATOM 845 HG22 VAL 53 -7.236 -21.079 12.772 1.00 75.24 ATOM 846 HG23 VAL 53 -8.027 -19.515 12.889 1.00 24.34 ATOM 847 C VAL 53 -7.497 -19.500 17.097 1.00 15.21 ATOM 848 O VAL 53 -7.719 -20.240 18.056 1.00 24.04 ATOM 849 N CYS 54 -6.644 -18.483 17.149 1.00 32.21 ATOM 850 HN CYS 54 -6.511 -17.924 16.345 1.00 37.69 ATOM 851 CA CYS 54 -5.900 -18.171 18.364 1.00 21.02 ATOM 852 HA CYS 54 -5.313 -19.042 18.630 1.00 13.55 ATOM 853 CB CYS 54 -4.970 -16.981 18.126 1.00 43.33 ATOM 854 HB1 CYS 54 -4.822 -16.437 19.052 1.00 37.69 ATOM 855 HB2 CYS 54 -5.414 -16.316 17.400 1.00 23.04 ATOM 856 SG CYS 54 -3.330 -17.436 17.514 1.00 31.13 ATOM 857 HG CYS 54 -2.432 -16.991 18.381 1.00 65.40 ATOM 858 C CYS 54 -6.848 -17.868 19.520 1.00 50.53 ATOM 859 O CYS 54 -6.649 -18.336 20.641 1.00 63.31 ATOM 860 N THR 55 -7.881 -17.078 19.240 1.00 64.34 ATOM 861 HN THR 55 -7.985 -16.721 18.326 1.00 37.69 ATOM 862 CA THR 55 -8.858 -16.709 20.255 1.00 32.35 ATOM 863 HA THR 55 -8.345 -16.130 21.013 1.00 32.22 ATOM 864 CB THR 55 -9.987 -15.846 19.661 1.00 34.34 ATOM 865 HB THR 55 -10.602 -16.463 19.016 1.00 72.32 ATOM 866 OG1 THR 55 -9.432 -14.779 18.885 1.00 65.21 ATOM 867 HG1 THR 55 -9.374 -15.043 17.963 1.00 3.10 ATOM 868 CG2 THR 55 -10.867 -15.274 20.762 1.00 35.13 ATOM 869 HG21 THR 55 -11.388 -16.073 21.267 1.00 34.43 ATOM 870 HG22 THR 55 -11.588 -14.598 20.326 1.00 25.32 ATOM 871 HG23 THR 55 -10.258 -14.734 21.474 1.00 63.21 ATOM 872 C THR 55 -9.468 -17.946 20.907 1.00 41.55 ATOM 873 O THR 55 -9.487 -18.067 22.131 1.00 62.32 ATOM 874 N GLU 56 -9.965 -18.860 20.080 1.00 64.34 ATOM 875 HN GLU 56 -9.924 -18.701 19.106 1.00 37.69 ATOM 876 CA GLU 56 -10.575 -20.088 20.577 1.00 51.51 ATOM 877 HA GLU 56 -11.433 -19.807 21.167 1.00 73.04 ATOM 878 CB GLU 56 -11.003 -20.980 19.410 1.00 41.11 ATOM 879 HB1 GLU 56 -10.878 -22.022 19.675 1.00 37.69 ATOM 880 HB2 GLU 56 -10.384 -20.755 18.561 1.00 54.23 ATOM 881 CG GLU 56 -12.450 -20.783 18.991 1.00 12.54 ATOM 882 HG1 GLU 56 -12.682 -21.485 18.204 1.00 37.69 ATOM 883 HG2 GLU 56 -12.570 -19.776 18.621 1.00 24.45 ATOM 884 CD GLU 56 -13.423 -20.997 20.135 1.00 64.30 ATOM 885 OE1 GLU 56 -13.142 -21.855 20.998 1.00 2.14 ATOM 886 OE2 GLU 56 -14.464 -20.309 20.167 1.00 44.44 ATOM 887 C GLU 56 -9.611 -20.846 21.484 1.00 2.15 ATOM 888 O GLU 56 -9.989 -21.310 22.560 1.00 42.41 ATOM 889 N ALA 57 -8.364 -20.968 21.042 1.00 24.21 ATOM 890 HN ALA 57 -8.122 -20.588 20.164 1.00 37.69 ATOM 891 CA ALA 57 -7.345 -21.668 21.814 1.00 65.41 ATOM 892 HA ALA 57 -7.615 -22.704 21.843 1.00 41.45 ATOM 893 CB ALA 57 -5.991 -21.551 21.130 1.00 63.14 ATOM 894 HB1 ALA 57 -5.374 -22.378 21.431 1.00 35.04 ATOM 895 HB2 ALA 57 -5.508 -20.620 21.399 1.00 11.05 ATOM 896 HB3 ALA 57 -6.123 -21.584 20.057 1.00 35.43 ATOM 897 C ALA 57 -7.268 -21.130 23.238 1.00 2.54 ATOM 898 O ALA 57 -7.023 -21.878 24.183 1.00 23.14 ATOM 899 N GLY 58 -7.479 -19.825 23.385 1.00 44.20 ATOM 900 HN GLY 58 -7.650 -19.256 22.603 1.00 37.69 ATOM 901 CA GLY 58 -7.428 -19.208 24.698 1.00 70.14 ATOM 902 HA1 GLY 58 -7.377 -18.136 24.573 1.00 37.69 ATOM 903 HA2 GLY 58 -6.538 -19.538 25.220 1.00 23.11 ATOM 904 C GLY 58 -8.644 -19.538 25.541 1.00 61.25 ATOM 905 O GLY 58 -8.526 -19.790 26.739 1.00 13.24 ATOM 906 N MET 59 -9.815 -19.536 24.913 1.00 54.40 ATOM 907 HN MET 59 -9.843 -19.338 23.948 1.00 37.69 ATOM 908 CA MET 59 -11.058 -19.837 25.614 1.00 11.21 ATOM 909 HA MET 59 -11.176 -19.126 26.411 1.00 41.12 ATOM 910 CB MET 59 -12.249 -19.711 24.662 1.00 32.12 ATOM 911 HB1 MET 59 -13.162 -19.894 25.214 1.00 37.69 ATOM 912 HB2 MET 59 -12.154 -20.468 23.892 1.00 24.35 ATOM 913 CG MET 59 -12.335 -18.360 23.971 1.00 64.02 ATOM 914 HG1 MET 59 -12.538 -18.527 22.923 1.00 37.69 ATOM 915 HG2 MET 59 -11.401 -17.825 24.066 1.00 71.42 ATOM 916 SD MET 59 -13.647 -17.320 24.639 1.00 52.24 ATOM 917 CE MET 59 -13.216 -17.305 26.377 1.00 43.51 ATOM 918 HE1 MET 59 -13.330 -18.298 26.786 1.00 60.11 ATOM 919 HE2 MET 59 -13.867 -16.623 26.903 1.00 72.11 ATOM 920 HE3 MET 59 -12.191 -16.984 26.491 1.00 61.05 ATOM 921 C MET 59 -11.018 -21.238 26.214 1.00 22.54 ATOM 922 O MET 59 -11.305 -21.426 27.397 1.00 72.32 ATOM 923 N TYR 60 -10.660 -22.219 25.393 1.00 40.13 ATOM 924 HN TYR 60 -10.443 -22.006 24.453 1.00 37.69 ATOM 925 CA TYR 60 -10.585 -23.604 25.842 1.00 1.12 ATOM 926 HA TYR 60 -11.569 -23.901 26.156 1.00 71.21 ATOM 927 CB TYR 60 -10.108 -24.507 24.703 1.00 10.33 ATOM 928 HB1 TYR 60 -9.767 -25.454 25.106 1.00 37.69 ATOM 929 HB2 TYR 60 -9.285 -24.021 24.207 1.00 22.21 ATOM 930 CG TYR 60 -11.180 -24.809 23.681 1.00 32.41 ATOM 931 CD1 TYR 60 -10.928 -24.676 22.321 1.00 14.11 ATOM 932 HD1 TYR 60 -9.958 -24.347 21.991 1.00 51.51 ATOM 933 CD2 TYR 60 -12.445 -25.228 24.075 1.00 52.21 ATOM 934 HD2 TYR 60 -12.664 -25.343 25.126 1.00 71.11 ATOM 935 CE1 TYR 60 -11.905 -24.951 21.383 1.00 10.34 ATOM 936 HE1 TYR 60 -11.689 -24.842 20.330 1.00 73.35 ATOM 937 CE2 TYR 60 -13.427 -25.506 23.144 1.00 34.23 ATOM 938 HE2 TYR 60 -14.404 -25.831 23.471 1.00 5.23 ATOM 939 CZ TYR 60 -13.153 -25.366 21.800 1.00 44.10 ATOM 940 OH TYR 60 -14.129 -25.641 20.870 1.00 42.11 ATOM 941 HH TYR 60 -14.800 -24.963 20.943 1.00 11.03 ATOM 942 C TYR 60 -9.648 -23.738 27.039 1.00 72.21 ATOM 943 O TYR 60 -9.911 -24.506 27.964 1.00 12.31 ATOM 944 N ALA 61 -8.554 -22.985 27.013 1.00 43.23 ATOM 945 HN ALA 61 -8.387 -22.395 26.241 1.00 37.69 ATOM 946 CA ALA 61 -7.578 -23.017 28.095 1.00 13.54 ATOM 947 HA ALA 61 -7.297 -24.045 28.267 1.00 22.24 ATOM 948 CB ALA 61 -6.325 -22.250 27.699 1.00 21.33 ATOM 949 HB1 ALA 61 -5.587 -22.328 28.485 1.00 10.31 ATOM 950 HB2 ALA 61 -6.571 -21.210 27.536 1.00 63.35 ATOM 951 HB3 ALA 61 -5.923 -22.669 26.788 1.00 1.03 ATOM 952 C ALA 61 -8.166 -22.444 29.381 1.00 72.41 ATOM 953 O ALA 61 -7.885 -22.934 30.476 1.00 55.12 ATOM 954 N LEU 62 -8.982 -21.406 29.241 1.00 14.44 ATOM 955 HN LEU 62 -9.161 -21.045 28.341 1.00 37.69 ATOM 956 CA LEU 62 -9.610 -20.766 30.392 1.00 0.25 ATOM 957 HA LEU 62 -8.827 -20.446 31.069 1.00 65.51 ATOM 958 CB LEU 62 -10.414 -19.544 29.946 1.00 52.41 ATOM 959 HB1 LEU 62 -11.170 -19.329 30.695 1.00 37.69 ATOM 960 HB2 LEU 62 -10.927 -19.805 29.034 1.00 12.31 ATOM 961 CG LEU 62 -9.612 -18.265 29.702 1.00 11.33 ATOM 962 HG LEU 62 -8.668 -18.515 29.237 1.00 61.40 ATOM 963 CD1 LEU 62 -10.360 -17.337 28.757 1.00 31.42 ATOM 964 HD11 LEU 62 -11.325 -17.088 29.176 1.00 1.50 ATOM 965 HD12 LEU 62 -10.495 -17.823 27.808 1.00 10.12 ATOM 966 HD13 LEU 62 -9.790 -16.430 28.611 1.00 71.15 ATOM 967 CD2 LEU 62 -9.316 -17.562 31.019 1.00 14.22 ATOM 968 HD21 LEU 62 -10.243 -17.284 31.502 1.00 25.53 ATOM 969 HD22 LEU 62 -8.729 -16.673 30.832 1.00 24.22 ATOM 970 HD23 LEU 62 -8.760 -18.225 31.667 1.00 1.34 ATOM 971 C LEU 62 -10.518 -21.744 31.131 1.00 2.23 ATOM 972 O LEU 62 -10.383 -21.940 32.339 1.00 11.33 ATOM 973 N ARG 63 -11.441 -22.357 30.397 1.00 4.41 ATOM 974 HN ARG 63 -11.498 -22.159 29.431 1.00 37.69 ATOM 975 CA ARG 63 -12.370 -23.315 30.983 1.00 60.45 ATOM 976 HA ARG 63 -12.933 -22.809 31.755 1.00 23.32 ATOM 977 CB ARG 63 -13.343 -23.829 29.920 1.00 52.33 ATOM 978 HB1 ARG 63 -13.827 -22.981 29.457 1.00 37.69 ATOM 979 HB2 ARG 63 -14.094 -24.433 30.411 1.00 10.20 ATOM 980 CG ARG 63 -12.676 -24.650 28.829 1.00 60.31 ATOM 981 HG1 ARG 63 -11.964 -25.340 29.247 1.00 37.69 ATOM 982 HG2 ARG 63 -12.177 -23.975 28.163 1.00 11.34 ATOM 983 CD ARG 63 -13.695 -25.446 28.028 1.00 12.24 ATOM 984 HD1 ARG 63 -13.192 -25.948 27.215 1.00 37.69 ATOM 985 HD2 ARG 63 -14.422 -24.758 27.616 1.00 32.12 ATOM 986 NE ARG 63 -14.397 -26.424 28.855 1.00 55.02 ATOM 987 HE ARG 63 -15.301 -26.190 29.160 1.00 75.41 ATOM 988 CZ ARG 63 -13.879 -27.595 29.207 1.00 34.24 ATOM 989 NH1 ARG 63 -12.661 -27.932 28.808 1.00 2.02 ATOM 990 HH11 ARG 63 -12.109 -27.325 28.244 1.00 42.13 ATOM 991 HH12 ARG 63 -12.281 -28.819 29.079 1.00 35.02 ATOM 992 NH2 ARG 63 -14.580 -28.432 29.962 1.00 75.14 ATOM 993 HH21 ARG 63 -15.501 -28.183 30.268 1.00 54.53 ATOM 994 HH22 ARG 63 -14.191 -29.316 30.229 1.00 21.13 ATOM 995 C ARG 63 -11.620 -24.487 31.609 1.00 65.12 ATOM 996 O ARG 63 -12.121 -25.139 32.524 1.00 1.01 ATOM 997 N GLU 64 -10.416 -24.748 31.108 1.00 30.10 ATOM 998 HN GLU 64 -10.068 -24.224 30.354 1.00 37.69 ATOM 999 CA GLU 64 -9.598 -25.842 31.618 1.00 20.11 ATOM 1000 HA GLU 64 -10.248 -26.599 32.046 1.00 63.44 ATOM 1001 CB GLU 64 -8.790 -26.476 30.484 1.00 73.33 ATOM 1002 HB1 GLU 64 -7.995 -27.076 30.912 1.00 37.69 ATOM 1003 HB2 GLU 64 -8.352 -25.687 29.891 1.00 74.33 ATOM 1004 CG GLU 64 -9.621 -27.353 29.561 1.00 2.43 ATOM 1005 HG1 GLU 64 -10.090 -26.730 28.820 1.00 37.69 ATOM 1006 HG2 GLU 64 -10.384 -27.859 30.137 1.00 13.13 ATOM 1007 CD GLU 64 -8.791 -28.406 28.853 1.00 4.33 ATOM 1008 OE1 GLU 64 -9.005 -28.615 27.641 1.00 31.02 ATOM 1009 OE2 GLU 64 -7.926 -29.020 29.512 1.00 21.33 ATOM 1010 C GLU 64 -8.657 -25.352 32.715 1.00 30.30 ATOM 1011 O GLU 64 -7.786 -26.090 33.175 1.00 23.23 ATOM 1012 N ARG 65 -8.839 -24.102 33.128 1.00 35.44 ATOM 1013 HN ARG 65 -9.535 -23.549 32.755 1.00 37.69 ATOM 1014 CA ARG 65 -8.006 -23.513 34.169 1.00 15.34 ATOM 1015 HA ARG 65 -8.230 -22.458 34.215 1.00 31.54 ATOM 1016 CB ARG 65 -8.322 -24.148 35.525 1.00 5.41 ATOM 1017 HB1 ARG 65 -7.761 -23.624 36.287 1.00 37.69 ATOM 1018 HB2 ARG 65 -8.004 -25.184 35.516 1.00 1.54 ATOM 1019 CG ARG 65 -9.792 -24.080 35.902 1.00 13.44 ATOM 1020 HG1 ARG 65 -10.267 -23.261 35.375 1.00 37.69 ATOM 1021 HG2 ARG 65 -9.867 -23.902 36.965 1.00 72.12 ATOM 1022 CD ARG 65 -10.517 -25.371 35.555 1.00 41.51 ATOM 1023 HD1 ARG 65 -9.984 -25.897 34.784 1.00 37.69 ATOM 1024 HD2 ARG 65 -11.504 -25.122 35.195 1.00 5.51 ATOM 1025 NE ARG 65 -10.654 -26.250 36.713 1.00 61.14 ATOM 1026 HE ARG 65 -10.394 -25.898 37.596 1.00 74.14 ATOM 1027 CZ ARG 65 -11.112 -27.495 36.640 1.00 40.22 ATOM 1028 NH1 ARG 65 -11.475 -28.004 35.471 1.00 41.14 ATOM 1029 HH11 ARG 65 -11.416 -27.472 34.629 1.00 31.13 ATOM 1030 HH12 ARG 65 -11.817 -28.945 35.426 1.00 14.14 ATOM 1031 NH2 ARG 65 -11.207 -28.233 37.738 1.00 33.31 ATOM 1032 HH21 ARG 65 -10.934 -27.854 38.625 1.00 35.03 ATOM 1033 HH22 ARG 65 -11.552 -29.172 37.686 1.00 13.34 ATOM 1034 C ARG 65 -6.526 -23.688 33.845 1.00 23.24 ATOM 1035 O ARG 65 -5.713 -23.950 34.732 1.00 1.32 ATOM 1036 N ARG 66 -6.183 -23.543 32.569 1.00 33.15 ATOM 1037 HN ARG 66 -6.865 -23.303 31.902 1.00 37.69 ATOM 1038 CA ARG 66 -4.801 -23.687 32.128 1.00 33.22 ATOM 1039 HA ARG 66 -4.242 -24.230 32.885 1.00 61.12 ATOM 1040 CB ARG 66 -4.741 -24.474 30.817 1.00 15.43 ATOM 1041 HB1 ARG 66 -3.807 -24.253 30.310 1.00 37.69 ATOM 1042 HB2 ARG 66 -5.560 -24.164 30.184 1.00 31.05 ATOM 1043 CG ARG 66 -4.825 -25.979 31.006 1.00 24.51 ATOM 1044 HG1 ARG 66 -5.796 -26.228 31.408 1.00 37.69 ATOM 1045 HG2 ARG 66 -4.056 -26.292 31.698 1.00 24.50 ATOM 1046 CD ARG 66 -4.630 -26.717 29.691 1.00 72.33 ATOM 1047 HD1 ARG 66 -4.640 -27.779 29.888 1.00 37.69 ATOM 1048 HD2 ARG 66 -3.672 -26.441 29.271 1.00 52.11 ATOM 1049 NE ARG 66 -5.682 -26.405 28.727 1.00 12.11 ATOM 1050 HE ARG 66 -6.398 -25.798 29.010 1.00 20.52 ATOM 1051 CZ ARG 66 -5.722 -26.902 27.496 1.00 52.42 ATOM 1052 NH1 ARG 66 -4.774 -27.730 27.081 1.00 71.24 ATOM 1053 HH11 ARG 66 -4.017 -27.994 27.677 1.00 53.43 ATOM 1054 HH12 ARG 66 -4.816 -28.106 26.153 1.00 12.23 ATOM 1055 NH2 ARG 66 -6.712 -26.570 26.677 1.00 34.01 ATOM 1056 HH21 ARG 66 -7.432 -25.944 26.984 1.00 50.13 ATOM 1057 HH22 ARG 66 -6.744 -26.944 25.748 1.00 65.22 ATOM 1058 C ARG 66 -4.144 -22.322 31.946 1.00 63.54 ATOM 1059 O ARG 66 -4.825 -21.310 31.782 1.00 20.15 ATOM 1060 N VAL 67 -2.815 -22.303 31.975 1.00 41.13 ATOM 1061 HN VAL 67 -2.321 -23.140 32.135 1.00 37.69 ATOM 1062 CA VAL 67 -2.065 -21.063 31.812 1.00 62.31 ATOM 1063 HA VAL 67 -2.752 -20.223 31.845 1.00 53.43 ATOM 1064 CB VAL 67 -1.038 -20.876 32.945 1.00 51.44 ATOM 1065 HB VAL 67 -0.276 -21.640 32.854 1.00 40.41 ATOM 1066 CG1 VAL 67 -0.363 -19.517 32.834 1.00 61.11 ATOM 1067 HG11 VAL 67 0.188 -19.305 33.742 1.00 72.42 ATOM 1068 HG12 VAL 67 -1.103 -18.743 32.679 1.00 62.03 ATOM 1069 HG13 VAL 67 0.323 -19.529 32.010 1.00 54.13 ATOM 1070 CG2 VAL 67 -1.706 -21.039 34.301 1.00 34.13 ATOM 1071 HG21 VAL 67 -2.111 -22.036 34.391 1.00 61.03 ATOM 1072 HG22 VAL 67 -2.503 -20.316 34.404 1.00 70.01 ATOM 1073 HG23 VAL 67 -0.978 -20.881 35.086 1.00 14.33 ATOM 1074 C VAL 67 -1.338 -21.032 30.472 1.00 73.50 ATOM 1075 O VAL 67 -1.040 -19.963 29.940 1.00 42.23 ATOM 1076 N HIS 68 -1.056 -22.213 29.931 1.00 73.34 ATOM 1077 HN HIS 68 -1.319 -23.039 30.382 1.00 37.69 ATOM 1078 CA HIS 68 -0.365 -22.322 28.651 1.00 70.12 ATOM 1079 HA HIS 68 -0.159 -21.337 28.279 1.00 40.51 ATOM 1080 CB HIS 68 0.963 -23.060 28.825 1.00 35.24 ATOM 1081 HB1 HIS 68 1.660 -22.404 29.326 1.00 37.69 ATOM 1082 HB2 HIS 68 1.368 -23.326 27.857 1.00 22.01 ATOM 1083 CG HIS 68 0.850 -24.311 29.641 1.00 75.42 ATOM 1084 ND1 HIS 68 0.952 -24.325 31.016 1.00 74.42 ATOM 1085 HD1 HIS 68 1.105 -23.543 31.587 1.00 15.01 ATOM 1086 CD2 HIS 68 0.640 -25.596 29.267 1.00 1.54 ATOM 1087 HD2 HIS 68 0.511 -25.957 28.256 1.00 61.43 ATOM 1088 CE1 HIS 68 0.812 -25.564 31.453 1.00 73.21 ATOM 1089 HE1 HIS 68 0.846 -25.877 32.486 1.00 34.23 ATOM 1090 NE2 HIS 68 0.621 -26.354 30.412 1.00 60.32 ATOM 1091 HE2 HIS 68 0.576 -27.332 30.446 1.00 37.69 ATOM 1092 C HIS 68 -1.232 -23.046 27.625 1.00 41.11 ATOM 1093 O HIS 68 -1.901 -24.029 27.945 1.00 44.22 ATOM 1094 N VAL 69 -1.216 -22.553 26.391 1.00 52.44 ATOM 1095 HN VAL 69 -0.660 -21.774 26.191 1.00 37.69 ATOM 1096 CA VAL 69 -2.000 -23.152 25.318 1.00 74.34 ATOM 1097 HA VAL 69 -2.890 -23.600 25.755 1.00 70.33 ATOM 1098 CB VAL 69 -2.463 -22.092 24.300 1.00 20.25 ATOM 1099 HB VAL 69 -1.597 -21.691 23.794 1.00 14.55 ATOM 1100 CG1 VAL 69 -3.367 -22.719 23.250 1.00 42.33 ATOM 1101 HG11 VAL 69 -2.836 -23.485 22.706 1.00 15.13 ATOM 1102 HG12 VAL 69 -3.680 -21.955 22.557 1.00 74.12 ATOM 1103 HG13 VAL 69 -4.237 -23.150 23.727 1.00 63.13 ATOM 1104 CG2 VAL 69 -3.170 -20.947 25.009 1.00 30.05 ATOM 1105 HG21 VAL 69 -4.028 -21.326 25.547 1.00 41.30 ATOM 1106 HG22 VAL 69 -3.499 -20.218 24.281 1.00 24.05 ATOM 1107 HG23 VAL 69 -2.493 -20.471 25.703 1.00 25.22 ATOM 1108 C VAL 69 -1.202 -24.227 24.588 1.00 51.31 ATOM 1109 O VAL 69 -0.104 -23.972 24.093 1.00 42.35 ATOM 1110 N THR 70 -1.761 -25.431 24.524 1.00 34.22 ATOM 1111 HN THR 70 -2.649 -25.575 24.927 1.00 37.69 ATOM 1112 CA THR 70 -1.102 -26.546 23.855 1.00 0.45 ATOM 1113 HA THR 70 -0.033 -26.415 23.929 1.00 43.43 ATOM 1114 CB THR 70 -1.459 -27.889 24.519 1.00 63.33 ATOM 1115 HB THR 70 -0.815 -28.657 24.114 1.00 64.14 ATOM 1116 OG1 THR 70 -2.822 -28.227 24.238 1.00 24.53 ATOM 1117 HG1 THR 70 -3.424 -27.545 24.560 1.00 71.30 ATOM 1118 CG2 THR 70 -1.247 -27.823 26.024 1.00 63.14 ATOM 1119 HG21 THR 70 -1.441 -28.794 26.454 1.00 73.35 ATOM 1120 HG22 THR 70 -1.924 -27.101 26.455 1.00 23.52 ATOM 1121 HG23 THR 70 -0.227 -27.535 26.237 1.00 1.40 ATOM 1122 C THR 70 -1.481 -26.604 22.380 1.00 10.31 ATOM 1123 O THR 70 -2.521 -26.083 21.977 1.00 44.02 ATOM 1124 N GLN 71 -0.632 -27.241 21.580 1.00 2.43 ATOM 1125 HN GLN 71 0.188 -27.636 21.964 1.00 37.69 ATOM 1126 CA GLN 71 -0.879 -27.366 20.149 1.00 72.01 ATOM 1127 HA GLN 71 -0.812 -26.380 19.712 1.00 71.44 ATOM 1128 CB GLN 71 0.177 -28.266 19.504 1.00 15.23 ATOM 1129 HB1 GLN 71 0.241 -29.182 20.075 1.00 37.69 ATOM 1130 HB2 GLN 71 1.132 -27.770 19.534 1.00 74.14 ATOM 1131 CG GLN 71 -0.131 -28.626 18.060 1.00 61.12 ATOM 1132 HG1 GLN 71 -0.157 -27.717 17.485 1.00 37.69 ATOM 1133 HG2 GLN 71 -1.091 -29.116 18.005 1.00 65.03 ATOM 1134 CD GLN 71 0.899 -29.563 17.460 1.00 30.11 ATOM 1135 OE1 GLN 71 1.197 -30.618 18.022 1.00 42.45 ATOM 1136 NE2 GLN 71 1.449 -29.183 16.313 1.00 51.41 ATOM 1137 HE21 GLN 71 1.178 -28.329 15.907 1.00 4.20 ATOM 1138 HE22 GLN 71 2.105 -29.786 15.906 1.00 70.55 ATOM 1139 C GLN 71 -2.273 -27.927 19.884 1.00 4.14 ATOM 1140 O GLN 71 -2.963 -27.490 18.964 1.00 0.35 ATOM 1141 N GLU 72 -2.679 -28.898 20.697 1.00 45.41 ATOM 1142 HN GLU 72 -2.076 -29.222 21.407 1.00 37.69 ATOM 1143 CA GLU 72 -3.990 -29.519 20.549 1.00 45.42 ATOM 1144 HA GLU 72 -4.010 -30.032 19.600 1.00 45.12 ATOM 1145 CB GLU 72 -4.227 -30.534 21.669 1.00 51.23 ATOM 1146 HB1 GLU 72 -5.267 -30.838 21.664 1.00 37.69 ATOM 1147 HB2 GLU 72 -4.008 -30.056 22.614 1.00 4.33 ATOM 1148 CG GLU 72 -3.376 -31.786 21.546 1.00 63.34 ATOM 1149 HG1 GLU 72 -2.358 -31.502 21.310 1.00 37.69 ATOM 1150 HG2 GLU 72 -3.771 -32.396 20.747 1.00 30.25 ATOM 1151 CD GLU 72 -3.359 -32.608 22.820 1.00 5.42 ATOM 1152 OE1 GLU 72 -3.542 -33.840 22.735 1.00 3.22 ATOM 1153 OE2 GLU 72 -3.161 -32.017 23.903 1.00 74.20 ATOM 1154 C GLU 72 -5.094 -28.466 20.559 1.00 74.14 ATOM 1155 O GLU 72 -6.144 -28.646 19.940 1.00 24.32 ATOM 1156 N ASP 73 -4.851 -27.368 21.265 1.00 4.12 ATOM 1157 HN ASP 73 -4.020 -27.291 21.778 1.00 37.69 ATOM 1158 CA ASP 73 -5.824 -26.286 21.356 1.00 3.51 ATOM 1159 HA ASP 73 -6.795 -26.733 21.539 1.00 71.50 ATOM 1160 CB ASP 73 -5.467 -25.346 22.509 1.00 41.10 ATOM 1161 HB1 ASP 73 -4.931 -24.493 22.129 1.00 37.69 ATOM 1162 HB2 ASP 73 -4.840 -25.865 23.221 1.00 13.31 ATOM 1163 CG ASP 73 -6.692 -24.847 23.250 1.00 71.32 ATOM 1164 OD1 ASP 73 -6.552 -24.442 24.422 1.00 22.24 ATOM 1165 OD2 ASP 73 -7.791 -24.863 22.657 1.00 15.11 ATOM 1166 C ASP 73 -5.890 -25.503 20.048 1.00 33.40 ATOM 1167 O ASP 73 -6.964 -25.077 19.621 1.00 23.15 ATOM 1168 N PHE 74 -4.736 -25.318 19.416 1.00 11.32 ATOM 1169 HN PHE 74 -3.904 -25.672 19.809 1.00 37.69 ATOM 1170 CA PHE 74 -4.663 -24.585 18.158 1.00 42.14 ATOM 1171 HA PHE 74 -5.144 -23.623 18.299 1.00 74.31 ATOM 1172 CB PHE 74 -3.203 -24.367 17.754 1.00 71.21 ATOM 1173 HB1 PHE 74 -3.120 -24.345 16.686 1.00 37.69 ATOM 1174 HB2 PHE 74 -2.608 -25.191 18.123 1.00 61.51 ATOM 1175 CG PHE 74 -2.614 -23.096 18.296 1.00 33.33 ATOM 1176 CD1 PHE 74 -2.117 -23.044 19.589 1.00 51.25 ATOM 1177 HD1 PHE 74 -2.153 -23.928 20.212 1.00 63.23 ATOM 1178 CD2 PHE 74 -2.558 -21.954 17.514 1.00 35.01 ATOM 1179 HD2 PHE 74 -2.941 -21.979 16.503 1.00 14.23 ATOM 1180 CE1 PHE 74 -1.574 -21.876 20.091 1.00 53.03 ATOM 1181 HE1 PHE 74 -1.190 -21.848 21.100 1.00 40.11 ATOM 1182 CE2 PHE 74 -2.016 -20.784 18.011 1.00 54.44 ATOM 1183 HE2 PHE 74 -1.968 -19.911 17.391 1.00 12.01 ATOM 1184 CZ PHE 74 -1.525 -20.744 19.301 1.00 61.22 ATOM 1185 HZ PHE 74 -1.101 -19.830 19.691 1.00 63.12 ATOM 1186 C PHE 74 -5.403 -25.330 17.050 1.00 23.15 ATOM 1187 O PHE 74 -6.291 -24.777 16.403 1.00 61.20 ATOM 1188 N GLU 75 -5.028 -26.588 16.840 1.00 74.23 ATOM 1189 HN GLU 75 -4.294 -26.960 17.383 1.00 37.69 ATOM 1190 CA GLU 75 -5.655 -27.409 15.810 1.00 14.32 ATOM 1191 HA GLU 75 -5.543 -26.903 14.860 1.00 4.24 ATOM 1192 CB GLU 75 -4.967 -28.772 15.724 1.00 21.41 ATOM 1193 HB1 GLU 75 -3.985 -28.629 15.295 1.00 37.69 ATOM 1194 HB2 GLU 75 -5.538 -29.416 15.064 1.00 32.41 ATOM 1195 CG GLU 75 -4.794 -29.453 17.071 1.00 32.24 ATOM 1196 HG1 GLU 75 -5.511 -29.079 17.767 1.00 37.69 ATOM 1197 HG2 GLU 75 -3.803 -29.240 17.437 1.00 42.41 ATOM 1198 CD GLU 75 -4.959 -30.958 16.990 1.00 63.41 ATOM 1199 OE1 GLU 75 -6.034 -31.415 16.550 1.00 71.43 ATOM 1200 OE2 GLU 75 -4.011 -31.679 17.366 1.00 21.44 ATOM 1201 C GLU 75 -7.143 -27.595 16.094 1.00 51.21 ATOM 1202 O GLU 75 -7.954 -27.691 15.173 1.00 0.32 ATOM 1203 N MET 76 -7.493 -27.645 17.375 1.00 73.40 ATOM 1204 HN MET 76 -6.806 -27.553 18.072 1.00 37.69 ATOM 1205 CA MET 76 -8.883 -27.819 17.781 1.00 72.44 ATOM 1206 HA MET 76 -9.245 -28.742 17.344 1.00 62.34 ATOM 1207 CB MET 76 -8.986 -27.896 19.305 1.00 32.41 ATOM 1208 HB1 MET 76 -9.847 -27.331 19.637 1.00 37.69 ATOM 1209 HB2 MET 76 -8.112 -27.439 19.743 1.00 64.12 ATOM 1210 CG MET 76 -9.094 -29.317 19.836 1.00 43.41 ATOM 1211 HG1 MET 76 -8.326 -29.463 20.579 1.00 37.69 ATOM 1212 HG2 MET 76 -8.948 -30.029 19.035 1.00 25.22 ATOM 1213 SD MET 76 -10.687 -29.650 20.611 1.00 13.41 ATOM 1214 CE MET 76 -11.808 -29.198 19.289 1.00 61.02 ATOM 1215 HE1 MET 76 -11.476 -29.649 18.366 1.00 51.41 ATOM 1216 HE2 MET 76 -11.826 -28.124 19.180 1.00 32.22 ATOM 1217 HE3 MET 76 -12.801 -29.551 19.524 1.00 52.51 ATOM 1218 C MET 76 -9.749 -26.678 17.258 1.00 51.42 ATOM 1219 O MET 76 -10.775 -26.907 16.618 1.00 61.01 ATOM 1220 N ALA 77 -9.329 -25.448 17.535 1.00 12.51 ATOM 1221 HN ALA 77 -8.497 -25.328 18.054 1.00 37.69 ATOM 1222 CA ALA 77 -10.066 -24.271 17.091 1.00 3.41 ATOM 1223 HA ALA 77 -11.046 -24.294 17.550 1.00 63.21 ATOM 1224 CB ALA 77 -9.361 -23.003 17.551 1.00 53.22 ATOM 1225 HB1 ALA 77 -9.894 -22.140 17.188 1.00 74.25 ATOM 1226 HB2 ALA 77 -8.355 -22.993 17.160 1.00 13.54 ATOM 1227 HB3 ALA 77 -9.322 -22.985 18.627 1.00 24.23 ATOM 1228 C ALA 77 -10.231 -24.266 15.575 1.00 32.22 ATOM 1229 O ALA 77 -11.279 -23.882 15.056 1.00 34.31 ATOM 1230 N VAL 78 -9.189 -24.695 14.869 1.00 14.44 ATOM 1231 HN VAL 78 -8.387 -25.005 15.343 1.00 37.69 ATOM 1232 CA VAL 78 -9.220 -24.740 13.412 1.00 23.35 ATOM 1233 HA VAL 78 -9.307 -23.724 13.047 1.00 0.42 ATOM 1234 CB VAL 78 -7.926 -25.353 12.843 1.00 11.51 ATOM 1235 HB VAL 78 -7.840 -26.369 13.193 1.00 22.03 ATOM 1236 CG1 VAL 78 -7.974 -25.383 11.323 1.00 22.51 ATOM 1237 HG11 VAL 78 -8.673 -26.139 10.996 1.00 43.43 ATOM 1238 HG12 VAL 78 -6.996 -25.621 10.929 1.00 22.42 ATOM 1239 HG13 VAL 78 -8.290 -24.422 10.951 1.00 11.54 ATOM 1240 CG2 VAL 78 -6.711 -24.578 13.331 1.00 60.21 ATOM 1241 HG21 VAL 78 -6.656 -24.616 14.390 1.00 21.43 ATOM 1242 HG22 VAL 78 -6.785 -23.548 13.014 1.00 34.23 ATOM 1243 HG23 VAL 78 -5.813 -25.014 12.914 1.00 15.22 ATOM 1244 C VAL 78 -10.413 -25.546 12.913 1.00 73.34 ATOM 1245 O VAL 78 -11.139 -25.111 12.019 1.00 11.45 ATOM 1246 N ALA 79 -10.611 -26.724 13.495 1.00 23.25 ATOM 1247 HN ALA 79 -9.990 -27.024 14.202 1.00 37.69 ATOM 1248 CA ALA 79 -11.718 -27.591 13.111 1.00 11.42 ATOM 1249 HA ALA 79 -11.606 -27.837 12.063 1.00 41.15 ATOM 1250 CB ALA 79 -11.674 -28.888 13.905 1.00 4.43 ATOM 1251 HB1 ALA 79 -11.802 -28.676 14.957 1.00 41.50 ATOM 1252 HB2 ALA 79 -10.719 -29.369 13.751 1.00 3.24 ATOM 1253 HB3 ALA 79 -12.464 -29.546 13.571 1.00 62.34 ATOM 1254 C ALA 79 -13.058 -26.891 13.312 1.00 0.21 ATOM 1255 O ALA 79 -14.026 -27.164 12.602 1.00 42.12 ATOM 1256 N LYS 80 -13.108 -25.987 14.285 1.00 71.11 ATOM 1257 HN LYS 80 -12.319 -25.826 14.844 1.00 37.69 ATOM 1258 CA LYS 80 -14.329 -25.247 14.580 1.00 12.20 ATOM 1259 HA LYS 80 -15.173 -25.919 14.478 1.00 74.52 ATOM 1260 CB LYS 80 -14.297 -24.722 16.017 1.00 11.12 ATOM 1261 HB1 LYS 80 -13.454 -24.055 16.122 1.00 37.69 ATOM 1262 HB2 LYS 80 -14.148 -25.560 16.681 1.00 64.42 ATOM 1263 CG LYS 80 -15.548 -23.957 16.413 1.00 1.42 ATOM 1264 HG1 LYS 80 -16.090 -23.626 15.539 1.00 37.69 ATOM 1265 HG2 LYS 80 -15.254 -23.090 16.987 1.00 22.52 ATOM 1266 CD LYS 80 -16.480 -24.810 17.257 1.00 72.15 ATOM 1267 HD1 LYS 80 -16.675 -25.743 16.745 1.00 37.69 ATOM 1268 HD2 LYS 80 -17.409 -24.274 17.391 1.00 44.31 ATOM 1269 CE LYS 80 -15.881 -25.108 18.622 1.00 25.02 ATOM 1270 HE1 LYS 80 -15.275 -24.269 18.942 1.00 37.69 ATOM 1271 HE2 LYS 80 -15.261 -25.988 18.544 1.00 4.04 ATOM 1272 NZ LYS 80 -16.932 -25.352 19.648 1.00 2.44 ATOM 1273 HZ1 LYS 80 -17.712 -25.921 19.251 1.00 64.11 ATOM 1274 HZ2 LYS 80 -17.318 -24.449 19.987 1.00 2.32 ATOM 1275 HZ3 LYS 80 -16.532 -25.867 20.456 1.00 63.12 ATOM 1276 C LYS 80 -14.510 -24.086 13.607 1.00 0.24 ATOM 1277 O LYS 80 -15.579 -23.914 13.022 1.00 13.01 ATOM 1278 N VAL 81 -13.457 -23.292 13.438 1.00 14.25 ATOM 1279 HN VAL 81 -12.622 -23.493 13.919 1.00 37.69 ATOM 1280 CA VAL 81 -13.499 -22.148 12.535 1.00 74.54 ATOM 1281 HA VAL 81 -14.341 -21.525 12.816 1.00 45.23 ATOM 1282 CB VAL 81 -12.216 -21.303 12.639 1.00 70.23 ATOM 1283 HB VAL 81 -11.372 -21.924 12.371 1.00 30.02 ATOM 1284 CG1 VAL 81 -12.269 -20.130 11.672 1.00 72.11 ATOM 1285 HG11 VAL 81 -12.102 -20.493 10.674 1.00 74.43 ATOM 1286 HG12 VAL 81 -11.494 -19.414 11.917 1.00 63.15 ATOM 1287 HG13 VAL 81 -13.234 -19.644 11.725 1.00 10.41 ATOM 1288 CG2 VAL 81 -12.012 -20.819 14.066 1.00 24.43 ATOM 1289 HG21 VAL 81 -12.840 -20.186 14.355 1.00 54.43 ATOM 1290 HG22 VAL 81 -11.093 -20.253 14.127 1.00 62.32 ATOM 1291 HG23 VAL 81 -11.953 -21.654 14.739 1.00 42.51 ATOM 1292 C VAL 81 -13.684 -22.597 11.089 1.00 24.12 ATOM 1293 O VAL 81 -14.230 -21.864 10.266 1.00 41.41 ATOM 1294 N MET 82 -13.224 -23.807 10.788 1.00 72.30 ATOM 1295 HN MET 82 -12.783 -24.354 11.477 1.00 37.69 ATOM 1296 CA MET 82 -13.340 -24.355 9.441 1.00 10.14 ATOM 1297 HA MET 82 -13.413 -23.537 8.731 1.00 41.31 ATOM 1298 CB MET 82 -12.104 -25.189 9.099 1.00 41.43 ATOM 1299 HB1 MET 82 -12.332 -25.801 8.233 1.00 37.69 ATOM 1300 HB2 MET 82 -11.878 -25.841 9.926 1.00 2.32 ATOM 1301 CG MET 82 -10.873 -24.352 8.790 1.00 51.24 ATOM 1302 HG1 MET 82 -10.296 -24.244 9.696 1.00 37.69 ATOM 1303 HG2 MET 82 -11.176 -23.372 8.443 1.00 40.10 ATOM 1304 SD MET 82 -9.823 -25.100 7.530 1.00 63.34 ATOM 1305 CE MET 82 -10.690 -24.621 6.038 1.00 60.15 ATOM 1306 HE1 MET 82 -10.165 -25.008 5.177 1.00 32.00 ATOM 1307 HE2 MET 82 -10.735 -23.544 5.978 1.00 75.14 ATOM 1308 HE3 MET 82 -11.692 -25.023 6.059 1.00 25.32 ATOM 1309 C MET 82 -14.597 -25.209 9.308 1.00 22.01 ATOM 1310 O MET 82 -15.169 -25.320 8.224 1.00 34.55 ATOM 1311 N GLN 83 -15.019 -25.810 10.416 1.00 10.50 ATOM 1312 HN GLN 83 -14.522 -25.712 11.257 1.00 37.69 ATOM 1313 CA GLN 83 -16.208 -26.654 10.421 1.00 65.30 ATOM 1314 HA GLN 83 -16.320 -27.062 11.414 1.00 61.20 ATOM 1315 CB GLN 83 -17.448 -25.827 10.080 1.00 33.21 ATOM 1316 HB1 GLN 83 -18.325 -26.414 10.314 1.00 37.69 ATOM 1317 HB2 GLN 83 -17.451 -25.599 9.022 1.00 44.12 ATOM 1318 CG GLN 83 -17.534 -24.516 10.844 1.00 10.31 ATOM 1319 HG1 GLN 83 -16.681 -23.902 10.594 1.00 37.69 ATOM 1320 HG2 GLN 83 -17.521 -24.738 11.900 1.00 41.44 ATOM 1321 CD GLN 83 -18.806 -23.747 10.544 1.00 63.35 ATOM 1322 OE1 GLN 83 -19.883 -24.094 11.028 1.00 14.44 ATOM 1323 NE2 GLN 83 -18.687 -22.697 9.740 1.00 51.21 ATOM 1324 HE21 GLN 83 -17.801 -22.465 9.380 1.00 41.23 ATOM 1325 HE22 GLN 83 -19.498 -22.187 9.535 1.00 1.41 ATOM 1326 C GLN 83 -16.061 -27.805 9.431 1.00 34.31 ATOM 1327 O GLN 83 -16.909 -28.001 8.560 1.00 13.20 ATOM 1328 N LYS 84 -14.980 -28.565 9.570 1.00 13.01 ATOM 1329 HN LYS 84 -14.338 -28.371 10.294 1.00 37.69 ATOM 1330 CA LYS 84 -14.722 -29.698 8.689 1.00 11.12 ATOM 1331 HA LYS 84 -15.353 -29.600 7.809 1.00 32.30 ATOM 1332 CB LYS 84 -13.260 -29.696 8.237 1.00 11.10 ATOM 1333 HB1 LYS 84 -12.636 -30.154 8.997 1.00 37.69 ATOM 1334 HB2 LYS 84 -12.943 -28.668 8.113 1.00 23.03 ATOM 1335 CG LYS 84 -13.033 -30.402 6.911 1.00 5.44 ATOM 1336 HG1 LYS 84 -12.180 -29.952 6.420 1.00 37.69 ATOM 1337 HG2 LYS 84 -13.906 -30.277 6.281 1.00 62.24 ATOM 1338 CD LYS 84 -12.783 -31.888 7.107 1.00 44.35 ATOM 1339 HD1 LYS 84 -13.121 -32.410 6.224 1.00 37.69 ATOM 1340 HD2 LYS 84 -13.324 -32.258 7.960 1.00 25.12 ATOM 1341 CE LYS 84 -11.304 -32.183 7.306 1.00 41.33 ATOM 1342 HE1 LYS 84 -11.211 -33.138 7.802 1.00 37.69 ATOM 1343 HE2 LYS 84 -10.859 -31.417 7.928 1.00 24.23 ATOM 1344 NZ LYS 84 -10.571 -32.245 6.011 1.00 75.44 ATOM 1345 HZ1 LYS 84 -10.965 -32.997 5.408 1.00 31.32 ATOM 1346 HZ2 LYS 84 -9.566 -32.448 6.182 1.00 4.42 ATOM 1347 HZ3 LYS 84 -10.646 -31.336 5.509 1.00 4.11 ATOM 1348 C LYS 84 -15.048 -31.015 9.387 1.00 42.32 ATOM 1349 O LYS 84 -14.460 -31.344 10.417 1.00 30.12 ATOM 1350 N ASP 85 -15.986 -31.764 8.818 1.00 2.11 ATOM 1351 HN ASP 85 -16.432 -31.443 7.997 1.00 37.69 ATOM 1352 CA ASP 85 -16.387 -33.046 9.384 1.00 35.42 ATOM 1353 HA ASP 85 -15.481 -33.585 9.649 1.00 64.54 ATOM 1354 CB ASP 85 -17.230 -32.831 10.642 1.00 35.21 ATOM 1355 HB1 ASP 85 -18.276 -32.733 10.377 1.00 37.69 ATOM 1356 HB2 ASP 85 -16.913 -31.923 11.137 1.00 62.32 ATOM 1357 CG ASP 85 -17.094 -33.971 11.633 1.00 42.24 ATOM 1358 OD1 ASP 85 -16.610 -33.725 12.758 1.00 50.14 ATOM 1359 OD2 ASP 85 -17.471 -35.109 11.283 1.00 13.51 ATOM 1360 C ASP 85 -17.172 -33.868 8.366 1.00 65.21 ATOM 1361 O ASP 85 -18.237 -33.455 7.909 1.00 73.54 ATOM 1362 N SER 86 -16.636 -35.033 8.014 1.00 1.23 ATOM 1363 HN SER 86 -15.788 -35.323 8.426 1.00 37.69 ATOM 1364 HA SER 86 -17.882 -35.309 6.372 1.00 64.01 ATOM 1365 CB SER 86 -16.233 -36.654 6.219 1.00 44.05 ATOM 1366 HB1 SER 86 -15.808 -35.972 5.497 1.00 37.69 ATOM 1367 HB2 SER 86 -16.687 -37.486 5.696 1.00 64.21 ATOM 1368 OG SER 86 -15.188 -37.144 7.041 1.00 10.13 ATOM 1369 HG SER 86 -14.612 -37.711 6.523 1.00 65.45 ATOM 1370 CA SER 86 -17.283 -35.911 7.046 1.00 2.42 ATOM 1371 C SER 86 -18.197 -36.912 7.746 1.00 1.53 ATOM 1372 OT1 SER 86 -19.398 -36.957 7.403 1.00 37.69 ATOM 1373 OT2 SER 86 -17.710 -37.638 8.641 1.00 37.69 ATOM 1374 OH2 TIP3 1 -26.099 -34.767 8.399 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -26.469 -35.569 8.030 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -25.158 -34.936 8.446 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -17.861 -42.005 9.005 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.718 -42.952 9.025 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -17.967 -41.798 8.076 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -16.984 -43.773 4.678 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -16.338 -44.102 5.303 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -16.474 -43.255 4.055 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -22.930 -39.957 6.255 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -22.314 -40.483 6.764 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -23.516 -40.597 5.851 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -23.327 -37.310 10.639 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -24.067 -36.712 10.742 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -22.613 -36.756 10.323 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -15.220 -44.482 6.659 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -15.435 -45.248 7.191 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -14.564 -44.010 7.172 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -24.919 -35.346 11.426 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -24.925 -34.467 11.048 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -25.773 -35.429 11.851 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -19.603 -38.843 2.304 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -20.315 -38.308 1.953 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -18.912 -38.787 1.644 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -12.234 -39.465 10.598 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -12.886 -38.770 10.687 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -11.769 -39.255 9.788 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.300 -40.459 12.324 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.220 -39.696 12.896 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.901 -40.180 11.633 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -24.552 -38.003 5.139 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -24.882 -38.373 4.320 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -23.964 -38.673 5.485 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -23.185 -34.575 7.820 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -23.280 -35.153 7.063 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -22.456 -34.946 8.316 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -24.185 -39.234 8.772 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -23.620 -39.113 8.009 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -23.866 -38.597 9.411 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -23.305 -34.835 13.489 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -23.617 -34.053 13.945 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -23.955 -34.988 12.803 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -17.326 -39.471 0.941 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -16.747 -39.321 1.688 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -16.912 -39.000 0.218 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -25.562 -38.933 2.728 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -25.854 -38.165 2.237 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -26.236 -39.593 2.565 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -12.438 -33.355 -0.869 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -12.365 -32.416 -0.699 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -11.533 -33.660 -0.926 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -11.521 -33.124 14.109 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -11.570 -34.079 14.072 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -12.347 -32.856 14.511 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -20.128 -29.778 2.791 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -20.203 -29.899 1.845 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -20.095 -28.828 2.910 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -17.357 -30.698 2.543 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -18.292 -30.598 2.722 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -17.077 -31.407 3.121 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -14.369 -41.631 14.589 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -14.776 -41.150 13.869 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -14.328 -42.536 14.282 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -16.612 -43.299 12.810 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -17.126 -43.425 13.607 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -16.767 -42.387 12.565 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.849 -38.438 -1.429 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -15.807 -38.661 -2.359 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.000 -38.040 -1.239 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -24.510 -41.811 9.677 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -25.152 -41.852 10.386 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -24.473 -40.885 9.439 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -24.513 -41.590 4.589 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -25.406 -41.931 4.530 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -24.062 -41.967 3.833 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -18.977 -41.174 3.406 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -19.386 -40.359 3.114 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -18.257 -41.314 2.791 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -19.875 -40.999 14.894 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -20.438 -41.703 15.214 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -19.049 -41.119 15.361 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.973 -41.728 6.220 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -18.168 -41.123 5.505 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -17.791 -42.562 5.785 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -21.931 -44.163 5.675 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -22.842 -44.106 5.964 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -21.426 -44.223 6.486 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.526 -44.928 8.939 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -18.203 -44.797 9.603 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -18.012 -45.083 8.129 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -20.611 -41.375 7.562 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -20.047 -41.922 7.015 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -20.759 -41.897 8.351 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.985 -42.987 9.976 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -22.820 -42.533 10.086 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -21.461 -42.711 10.728 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -21.441 -36.774 1.661 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -22.185 -37.281 1.338 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -21.575 -36.725 2.607 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -16.825 -42.093 1.521 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -15.933 -42.230 1.840 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -16.768 -41.302 0.984 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -26.316 -37.479 7.430 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -25.571 -37.481 6.829 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -26.238 -38.303 7.912 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -19.315 -35.315 0.686 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.610 -34.489 1.068 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -20.018 -35.935 0.882 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -22.291 -39.501 14.958 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -22.587 -39.667 14.063 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -21.360 -39.721 14.948 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -11.976 -36.083 14.052 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -12.828 -35.845 13.685 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -11.386 -36.100 13.299 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -13.644 -33.097 1.680 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -14.017 -33.923 1.990 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -13.367 -33.280 0.783 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -23.941 -33.961 4.835 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -23.414 -33.188 4.634 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -24.821 -33.736 4.533 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -22.514 -36.298 4.411 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -22.755 -35.373 4.453 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -23.254 -36.757 4.807 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.999 -32.149 10.726 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -21.636 -31.294 10.493 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -21.467 -32.441 11.467 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -23.830 -31.276 3.956 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -24.780 -31.171 4.008 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -23.479 -30.456 4.301 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -16.252 -35.121 -0.499 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -15.899 -35.501 0.305 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -17.201 -35.214 -0.413 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -11.748 -30.641 -0.298 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -11.005 -30.055 -0.438 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -12.443 -30.073 0.035 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -15.386 -36.448 1.727 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -15.663 -37.176 2.283 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -14.459 -36.329 1.933 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.939 -44.524 11.193 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -18.241 -44.450 11.843 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -19.320 -45.388 11.348 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -20.486 -32.741 1.153 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -21.303 -32.244 1.206 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -19.957 -32.266 0.513 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -20.955 -43.144 3.125 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -20.143 -42.640 3.171 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -21.200 -43.289 4.039 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -20.419 -42.158 12.310 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -20.300 -41.584 13.067 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -19.764 -42.846 12.425 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -22.250 -36.793 15.478 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -22.578 -36.522 14.620 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -22.098 -37.734 15.390 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -19.106 -38.083 16.117 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -18.153 -37.999 16.089 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -19.266 -38.794 16.736 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -21.792 -39.390 11.654 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -21.041 -39.546 11.081 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -22.131 -38.538 11.378 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -16.060 -38.786 14.760 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -16.341 -38.077 14.182 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -15.117 -38.859 14.609 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -13.796 -35.237 16.652 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -14.662 -35.342 17.046 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -13.420 -34.478 17.099 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -12.495 -36.980 2.166 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -11.645 -36.559 2.294 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -12.490 -37.720 2.774 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -12.101 -38.927 3.990 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -12.827 -39.406 4.388 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -11.520 -38.721 4.722 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -11.833 -39.026 0.381 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -12.354 -38.669 -0.338 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -11.866 -38.351 1.059 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -14.314 -40.406 4.553 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -14.464 -41.351 4.533 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -14.668 -40.125 5.397 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -13.458 -38.436 14.192 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -12.875 -39.170 14.383 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -12.894 -37.664 14.238 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -14.604 -42.823 3.015 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -14.324 -43.730 3.140 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -13.845 -42.389 2.626 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -13.992 -42.242 8.451 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -13.059 -42.030 8.417 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -14.227 -42.140 9.374 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -13.963 -41.505 11.227 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -14.806 -41.237 11.593 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -13.520 -40.683 11.016 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -24.733 -32.600 11.466 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -25.158 -31.791 11.183 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -23.828 -32.515 11.164 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -20.422 -31.201 14.425 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -20.237 -31.535 15.303 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -19.575 -30.892 14.103 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -18.077 -29.916 13.669 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -17.400 -30.548 13.429 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -17.755 -29.514 14.477 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -24.864 -29.744 10.543 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -25.729 -29.672 10.947 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -24.919 -29.197 9.759 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -25.775 -32.011 7.079 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -25.994 -32.927 7.248 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -24.951 -31.871 7.545 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -23.238 -31.541 7.927 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -23.025 -32.429 7.640 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -23.173 -31.575 8.882 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -13.092 -30.724 2.672 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -13.286 -31.472 2.107 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -13.131 -29.966 2.088 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -18.574 -30.788 25.641 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -17.954 -31.465 25.368 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -18.782 -31.006 26.549 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -15.173 -34.053 27.777 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -16.115 -33.995 27.938 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -14.897 -33.147 27.640 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -16.921 -32.272 24.402 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -16.496 -32.979 23.917 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -16.604 -31.471 23.985 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -15.762 -34.371 22.911 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -16.019 -35.061 22.299 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -15.691 -34.814 23.756 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -14.076 -35.805 31.388 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -13.936 -36.396 30.649 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -13.908 -34.932 31.032 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -17.876 -33.731 28.362 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -18.117 -33.069 29.010 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -18.074 -34.565 28.787 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -12.438 -33.355 17.987 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -12.365 -32.416 18.157 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -11.533 -33.660 17.930 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -11.521 -33.124 32.965 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -11.570 -34.079 32.928 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -12.347 -32.856 33.367 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -20.128 -29.778 21.647 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -20.203 -29.899 20.701 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -20.095 -28.828 21.766 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -17.026 -30.624 18.650 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.651 -31.368 18.179 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -17.022 -30.894 19.568 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -17.357 -30.698 21.399 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -18.292 -30.598 21.578 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -17.077 -31.407 21.977 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -15.849 -38.438 17.427 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.807 -38.661 16.497 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.000 -38.040 17.617 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -19.315 -35.315 19.542 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -19.610 -34.489 19.924 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -20.018 -35.935 19.738 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -17.671 -34.128 31.704 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -18.572 -33.945 31.436 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -17.637 -33.869 32.625 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -13.644 -33.097 20.536 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -14.017 -33.923 20.846 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -13.367 -33.280 19.639 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -16.252 -35.121 18.357 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -15.899 -35.501 19.161 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -17.201 -35.214 18.443 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -22.161 -34.009 16.804 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -21.922 -34.757 16.256 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -22.430 -34.397 17.636 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -20.123 -32.146 16.942 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -20.767 -32.777 17.264 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -19.361 -32.677 16.710 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -17.638 -33.274 34.296 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -17.989 -34.130 34.539 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.912 -33.131 34.903 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -15.519 -32.329 17.176 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -15.236 -33.123 17.629 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -14.779 -32.096 16.615 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -19.212 -35.372 16.769 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -19.480 -35.192 17.670 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -19.418 -36.298 16.638 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -12.954 -37.849 17.047 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -13.227 -38.274 16.234 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -12.914 -36.918 16.830 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -22.446 -29.513 18.603 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -21.513 -29.355 18.747 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -22.710 -28.838 17.978 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -13.796 -35.237 35.508 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -14.662 -35.342 35.902 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -13.420 -34.478 35.955 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -12.495 -36.980 21.022 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -11.645 -36.559 21.150 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -12.490 -37.720 21.630 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.855 -33.264 30.101 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -14.503 -32.939 30.726 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -14.373 -33.704 29.426 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -15.072 -30.504 23.520 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -14.419 -30.851 22.912 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -14.561 -30.015 24.166 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -20.422 -31.201 33.281 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -20.237 -31.535 34.159 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -19.575 -30.892 32.959 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -18.077 -29.916 32.525 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -17.400 -30.548 32.285 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -17.755 -29.514 33.333 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -20.153 -29.856 28.575 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -20.610 -29.327 27.921 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -19.990 -29.253 29.300 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -17.826 -30.978 29.520 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -18.730 -30.813 29.254 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.397 -30.125 29.454 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -19.801 -30.287 18.848 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.935 -29.921 18.670 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -20.048 -30.727 18.035 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -13.874 -31.973 33.678 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -14.656 -32.159 33.158 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -13.946 -31.044 33.895 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -12.438 -33.355 36.843 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -12.365 -32.416 37.013 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -11.533 -33.660 36.786 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -17.026 -30.624 37.506 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -16.651 -31.368 37.035 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -17.022 -30.894 38.424 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -17.357 -30.698 40.255 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -18.292 -30.598 40.434 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -17.077 -31.407 40.833 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -13.644 -33.097 39.392 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -14.017 -33.923 39.702 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -13.367 -33.280 38.495 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -15.519 -32.329 36.032 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -15.236 -33.123 36.485 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -14.779 -32.096 35.471 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -15.072 -30.504 42.376 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -14.419 -30.851 41.768 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.561 -30.015 43.022 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.092 -30.724 40.384 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -13.286 -31.472 39.819 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -13.131 -29.966 39.800 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -15.685 -17.037 -12.283 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -16.126 -17.757 -11.833 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -15.698 -16.316 -11.653 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -15.173 -15.197 -9.935 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -16.115 -15.139 -9.774 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -14.897 -14.291 -10.072 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -12.234 -20.609 -8.258 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -12.886 -19.914 -8.169 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -11.769 -20.399 -9.068 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -17.876 -14.875 -9.350 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -18.117 -14.213 -8.702 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -18.074 -15.709 -8.925 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -14.291 -18.785 -8.409 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -13.649 -18.328 -8.952 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -15.121 -18.672 -8.871 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -17.671 -15.272 -6.008 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -18.572 -15.089 -6.276 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -17.637 -15.013 -5.087 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -18.455 -17.194 -8.429 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -18.881 -17.421 -7.603 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -17.874 -17.932 -8.612 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -15.796 -12.642 -5.960 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -16.398 -13.197 -6.455 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -15.515 -11.975 -6.586 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -14.526 -12.388 -9.993 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -14.682 -11.710 -10.650 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -13.594 -12.316 -9.790 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.638 -14.418 -3.416 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -17.989 -15.274 -3.173 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -16.912 -14.275 -2.809 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -16.515 -18.021 -5.995 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -15.770 -17.433 -6.115 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -17.272 -17.439 -5.932 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -16.060 -19.930 -4.096 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.341 -19.221 -4.674 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.117 -20.003 -4.247 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -13.796 -16.381 -2.204 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -14.662 -16.486 -1.810 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -13.420 -15.622 -1.757 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -12.342 -17.286 -9.918 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -11.508 -17.664 -10.199 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.230 -16.343 -10.037 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.458 -19.580 -4.664 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -12.875 -20.314 -4.473 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -12.894 -18.808 -4.618 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -11.961 -21.677 -3.980 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -12.824 -22.056 -4.145 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -11.357 -22.416 -4.054 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -11.680 -28.669 -2.275 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -11.330 -29.323 -2.881 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -11.533 -27.832 -2.715 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -20.422 -12.345 -4.431 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -20.237 -12.679 -3.553 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -19.575 -12.036 -4.753 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -18.077 -11.060 -5.187 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.400 -11.692 -5.427 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -17.755 -10.658 -4.379 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -20.153 -11.000 -9.137 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -20.610 -10.471 -9.791 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -19.990 -10.397 -8.412 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.826 -12.122 -8.192 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -18.730 -11.957 -8.458 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -17.397 -11.269 -8.258 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -15.221 -10.552 -7.897 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -15.403 -9.636 -8.108 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -15.045 -10.962 -8.744 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -18.324 -19.231 4.852 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -18.235 -18.287 4.720 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -18.963 -19.506 4.194 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -15.685 -17.037 6.573 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -16.126 -17.757 7.023 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -15.698 -16.316 7.203 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -18.574 -11.932 6.785 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -17.954 -12.609 6.512 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -18.782 -12.150 7.693 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -21.002 -17.543 8.677 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -20.698 -18.229 8.083 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -20.280 -17.425 9.295 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -24.706 -25.048 6.277 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -24.663 -24.188 5.859 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -25.164 -25.600 5.644 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -16.984 -24.917 4.678 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -16.338 -25.246 5.303 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -16.474 -24.399 4.055 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -22.930 -21.101 6.255 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -22.314 -21.627 6.764 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -23.516 -21.741 5.851 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -25.896 -26.130 10.351 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -26.115 -25.600 9.585 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -26.564 -25.903 10.999 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -18.527 -16.630 3.895 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -18.823 -16.952 3.044 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -18.851 -15.730 3.937 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -23.327 -18.454 10.639 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -24.067 -17.856 10.742 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -22.613 -17.900 10.323 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -26.302 -24.238 8.304 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -25.689 -23.605 8.677 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -25.790 -24.710 7.647 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -21.870 -28.824 7.804 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -21.987 -29.773 7.750 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -22.725 -28.492 8.077 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -16.921 -13.416 5.546 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -16.496 -14.123 5.061 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -16.604 -12.615 5.129 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -15.762 -15.515 4.055 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -16.019 -16.205 3.443 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -15.691 -15.958 4.900 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -19.603 -19.987 2.304 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -20.315 -19.452 1.953 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -18.912 -19.931 1.644 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -16.197 -19.777 3.256 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -16.929 -19.549 3.829 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -15.750 -20.491 3.711 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -24.185 -20.378 8.772 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -23.620 -20.257 8.009 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -23.866 -19.741 9.411 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -17.876 -14.875 9.506 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -18.117 -14.213 10.154 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -18.074 -15.709 9.931 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -17.326 -20.615 0.941 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -16.747 -20.465 1.688 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -16.912 -20.144 0.218 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -26.385 -19.781 12.718 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -26.315 -19.130 13.416 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -27.276 -19.678 12.383 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -19.600 -13.878 4.376 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -19.126 -13.583 5.154 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.163 -13.140 4.143 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -13.628 -28.865 0.754 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -14.527 -28.726 1.049 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -13.376 -28.034 0.352 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -20.128 -10.922 2.791 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -20.203 -11.043 1.845 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -20.095 -9.972 2.910 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -24.601 -27.921 8.582 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -25.462 -28.008 8.174 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -24.623 -27.065 9.009 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -24.510 -22.955 9.677 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -25.152 -22.996 10.386 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -24.473 -22.029 9.439 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -24.513 -22.734 4.589 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -25.406 -23.075 4.530 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -24.062 -23.111 3.833 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.977 -22.318 3.406 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -19.386 -21.503 3.114 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -18.257 -22.458 2.791 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.875 -22.143 14.894 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -20.438 -22.847 15.214 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -19.049 -22.263 15.361 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -26.760 -22.635 11.544 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -26.798 -22.235 12.412 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -27.251 -23.452 11.634 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -21.931 -25.307 5.675 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -22.842 -25.250 5.964 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -21.426 -25.367 6.486 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -19.921 -17.734 12.898 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -20.267 -18.115 13.704 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -20.121 -16.800 12.969 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -16.825 -23.237 1.521 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -15.933 -23.374 1.840 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -16.768 -22.446 0.984 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.315 -16.459 0.686 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.610 -15.633 1.068 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -20.018 -17.079 0.882 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -22.291 -20.645 14.958 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -22.587 -20.811 14.063 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -21.360 -20.865 14.948 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.671 -15.272 12.848 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.572 -15.089 12.580 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -17.637 -15.013 13.769 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -18.455 -17.194 10.427 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -18.881 -17.421 11.253 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -17.874 -17.932 10.244 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -16.252 -16.265 -0.499 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -15.899 -16.645 0.305 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -17.201 -16.358 -0.413 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -15.796 -12.642 12.896 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.398 -13.197 12.401 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -15.515 -11.975 12.270 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.386 -17.592 1.727 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -15.663 -18.320 2.283 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -14.459 -17.473 1.933 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.155 -26.016 2.290 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -17.935 -25.544 1.487 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -17.597 -25.621 2.961 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -20.486 -13.885 1.153 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -21.303 -13.388 1.206 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -19.957 -13.410 0.513 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -20.955 -24.288 3.125 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -20.143 -23.784 3.171 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -21.200 -24.433 4.039 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -20.071 -27.207 4.063 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -20.418 -26.589 4.708 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -19.413 -26.706 3.582 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -20.123 -13.290 -1.914 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -20.767 -13.921 -1.592 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.361 -13.821 -2.146 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -17.638 -14.418 15.440 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -17.989 -15.274 15.683 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -16.912 -14.275 16.047 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -22.250 -17.937 15.478 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -22.578 -17.666 14.620 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -22.098 -18.878 15.390 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -19.212 -16.516 -2.087 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -19.480 -16.336 -1.186 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -19.418 -17.442 -2.218 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -16.515 -18.021 12.861 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -15.770 -17.433 12.741 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -17.272 -17.439 12.924 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -24.126 -21.698 12.839 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -24.744 -21.023 13.120 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -23.782 -21.377 12.006 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -19.106 -19.227 16.117 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -18.153 -19.143 16.089 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -19.266 -19.938 16.736 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -12.954 -18.993 -1.809 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -13.227 -19.418 -2.622 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -12.914 -18.062 -2.026 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -23.786 -24.343 13.922 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -23.636 -25.072 13.319 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -23.784 -23.566 13.363 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -21.792 -20.534 11.654 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -21.041 -20.690 11.081 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -22.131 -19.682 11.378 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -16.060 -19.930 14.760 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -16.341 -19.221 14.182 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -15.117 -20.003 14.609 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -25.308 -23.145 15.833 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -26.075 -23.677 15.623 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -24.629 -23.455 15.234 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -22.568 -28.517 11.846 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -22.666 -27.570 11.740 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -23.311 -28.889 11.370 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -21.304 -24.195 15.409 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -21.540 -24.415 16.311 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -22.087 -24.402 14.900 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -22.346 -29.223 14.517 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -21.634 -29.863 14.503 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -22.447 -28.956 13.603 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -21.993 -27.540 16.571 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -22.124 -28.016 15.750 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -22.592 -26.796 16.515 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -22.446 -10.657 -0.253 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -21.513 -10.499 -0.109 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -22.710 -9.982 -0.878 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -12.495 -18.124 2.166 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -11.645 -17.703 2.294 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.490 -18.864 2.774 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -11.833 -20.170 0.381 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -12.354 -19.813 -0.338 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -11.866 -19.495 1.059 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -13.484 -22.930 -1.068 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -13.387 -22.263 -1.748 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -13.624 -23.746 -1.550 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -14.314 -21.550 4.553 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -14.464 -22.495 4.533 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -14.668 -21.269 5.397 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -14.604 -23.967 3.015 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -14.324 -24.874 3.140 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -13.845 -23.533 2.626 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -13.990 -26.704 3.064 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -13.808 -27.153 3.889 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -14.590 -27.289 2.600 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -12.124 -26.637 -0.408 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -11.711 -27.358 -0.884 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -11.442 -25.967 -0.350 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.072 -11.648 4.664 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -14.419 -11.995 4.056 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -14.561 -11.159 5.310 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -18.077 -11.060 13.669 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -17.400 -11.692 13.429 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -17.755 -10.658 14.477 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -17.826 -12.122 10.664 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -18.730 -11.957 10.398 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -17.397 -11.269 10.598 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -15.221 -10.552 10.959 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -15.403 -9.636 10.748 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -15.045 -10.962 10.112 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -22.823 -28.460 4.707 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -21.949 -28.072 4.677 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -22.959 -28.675 5.630 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -15.913 -28.404 2.049 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.616 -27.790 1.839 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -16.358 -29.242 2.180 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -19.801 -11.431 -0.008 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -18.935 -11.065 -0.186 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -20.048 -11.871 -0.821 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -17.050 -29.190 16.129 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -16.974 -29.616 16.983 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.157 -29.176 15.787 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -18.324 -19.231 23.708 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -18.235 -18.287 23.576 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -18.963 -19.506 23.050 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -19.391 -19.976 27.127 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -19.429 -20.622 27.832 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -19.714 -20.442 26.356 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.574 -11.932 25.641 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -17.954 -12.609 25.368 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.782 -12.150 26.549 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -21.002 -17.543 27.533 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.698 -18.229 26.939 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -20.280 -17.425 28.151 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -17.861 -23.149 27.861 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -17.718 -24.096 27.881 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -17.967 -22.942 26.932 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -18.527 -16.630 22.751 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -18.823 -16.952 21.900 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.851 -15.730 22.793 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -16.921 -13.416 24.402 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -16.496 -14.123 23.917 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -16.604 -12.615 23.985 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -14.076 -16.949 31.388 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -13.936 -17.540 30.649 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -13.908 -16.076 31.032 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -19.603 -19.987 21.160 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -20.315 -19.452 20.809 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.912 -19.931 20.500 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -19.549 -21.529 18.199 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.848 -21.507 18.850 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -19.247 -22.157 17.543 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.876 -14.875 28.362 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -18.117 -14.213 29.010 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.074 -15.709 28.787 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -19.600 -13.878 23.232 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -19.126 -13.583 24.010 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -20.163 -13.140 22.999 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -11.521 -14.268 32.965 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -11.570 -15.223 32.928 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -12.347 -14.000 33.367 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -17.026 -11.768 18.650 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -16.651 -12.512 18.179 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -17.022 -12.038 19.568 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -17.357 -11.842 21.399 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -18.292 -11.742 21.578 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -17.077 -12.551 21.977 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -19.938 -28.199 30.812 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -19.518 -28.614 31.565 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -20.871 -28.377 30.929 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -18.977 -22.318 22.262 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -19.386 -21.503 21.970 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.257 -22.458 21.647 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -19.875 -22.143 33.750 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -20.438 -22.847 34.070 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -19.049 -22.263 34.217 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -17.973 -22.872 25.076 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -18.168 -22.267 24.361 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -17.791 -23.706 24.641 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -23.394 -25.261 17.198 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -23.825 -25.706 17.928 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -24.112 -24.889 16.686 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -18.709 -21.234 29.747 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -18.385 -21.865 29.104 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -19.149 -21.769 30.408 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -21.931 -25.307 24.531 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -22.842 -25.250 24.820 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -21.426 -25.367 25.342 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -23.450 -23.678 21.014 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -22.518 -23.549 21.192 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -23.665 -23.008 20.365 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -20.611 -22.519 26.418 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -20.047 -23.066 25.871 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -20.759 -23.041 27.207 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -21.985 -24.131 28.832 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -22.820 -23.677 28.942 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -21.461 -23.855 29.584 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -21.441 -17.918 20.517 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -22.185 -18.425 20.194 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -21.575 -17.869 21.463 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -19.315 -16.459 19.542 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -19.610 -15.633 19.924 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -20.018 -17.079 19.738 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -17.671 -15.272 31.704 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -18.572 -15.089 31.436 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -17.637 -15.013 32.625 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -16.484 -19.433 27.558 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.412 -19.665 27.531 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -16.033 -20.210 27.228 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -18.455 -17.194 29.283 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -18.881 -17.421 30.109 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -17.874 -17.932 29.100 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -16.252 -16.265 18.357 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -15.899 -16.645 19.161 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -17.201 -16.358 18.443 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -15.796 -12.642 31.752 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -16.398 -13.197 31.257 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -15.515 -11.975 31.126 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -18.939 -25.668 30.049 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -18.241 -25.594 30.699 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -19.320 -26.532 30.204 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -20.955 -24.288 21.981 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -20.143 -23.784 22.027 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -21.200 -24.433 22.895 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -20.419 -23.302 31.166 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -20.300 -22.728 31.923 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.764 -23.990 31.281 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -20.071 -27.207 22.919 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -20.418 -26.589 23.564 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -19.413 -26.706 22.438 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -24.414 -26.144 19.607 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -24.497 -25.255 19.953 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -23.524 -26.409 19.838 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.613 -21.644 26.097 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -16.410 -22.059 25.768 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -15.168 -22.335 26.588 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -14.526 -12.388 27.719 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -14.682 -11.710 27.062 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -13.594 -12.316 27.922 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.519 -13.473 17.176 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.236 -14.267 17.629 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.779 -13.240 16.615 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -19.212 -16.516 16.769 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -19.480 -16.336 17.670 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -19.418 -17.442 16.638 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -16.515 -18.021 31.717 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -15.770 -17.433 31.597 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.272 -17.439 31.780 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -22.344 -21.348 17.602 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -22.524 -21.502 16.674 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -21.393 -21.240 17.646 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -17.376 -22.719 35.538 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -17.184 -23.650 35.427 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -16.519 -22.294 35.528 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -16.060 -19.930 33.616 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -16.341 -19.221 33.038 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -15.117 -20.003 33.465 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -18.588 -25.068 33.341 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -19.536 -25.036 33.473 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -18.276 -25.693 33.995 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -16.954 -26.434 35.346 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -17.051 -27.386 35.340 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -17.276 -26.165 36.207 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -11.810 -11.738 27.948 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -11.832 -11.553 28.887 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -11.120 -11.169 27.607 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.247 -12.171 30.870 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -12.734 -12.906 30.499 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -11.698 -12.564 31.548 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.796 -16.381 35.508 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.662 -16.486 35.902 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -13.420 -15.622 35.955 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -13.855 -14.408 30.101 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -14.503 -14.083 30.726 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -14.373 -14.848 29.426 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -15.072 -11.648 23.520 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -14.419 -11.995 22.912 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.561 -11.159 24.166 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -17.826 -12.122 29.520 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -18.730 -11.957 29.254 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -17.397 -11.269 29.454 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -15.221 -10.552 29.815 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -15.403 -9.636 29.604 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -15.045 -10.962 28.968 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -19.729 -27.021 25.928 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -20.404 -27.650 26.183 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -19.165 -27.505 25.325 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -22.823 -28.460 23.563 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -21.949 -28.072 23.533 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -22.959 -28.675 24.486 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -17.266 -28.430 25.212 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -17.190 -28.335 24.263 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -17.542 -29.338 25.341 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -21.679 -26.380 20.453 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -21.501 -27.026 21.136 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -21.733 -25.546 20.920 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -13.092 -11.868 21.528 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -13.286 -12.616 20.963 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -13.131 -11.110 20.944 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -17.050 -29.190 34.985 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -16.974 -29.616 35.839 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -16.157 -29.176 34.643 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.874 -13.117 33.678 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.656 -13.303 33.158 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.946 -12.188 33.895 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -12.438 -14.499 36.843 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -12.365 -13.560 37.013 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -11.533 -14.804 36.786 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.849 -19.582 36.283 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -15.807 -19.805 35.353 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -15.000 -19.184 36.473 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -17.543 -25.104 37.572 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -18.481 -24.992 37.421 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -17.246 -24.247 37.878 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -16.825 -23.237 39.233 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.933 -23.374 39.552 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -16.768 -22.446 38.696 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -18.155 -26.016 40.002 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -17.935 -25.544 39.199 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -17.597 -25.621 40.673 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -12.954 -18.993 35.903 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -13.227 -19.418 35.090 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -12.914 -18.062 35.686 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.495 -18.124 39.878 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.645 -17.703 40.006 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.490 -18.864 40.486 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -12.101 -20.071 41.702 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -12.827 -20.550 42.100 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -11.520 -19.865 42.434 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -11.833 -20.170 38.093 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -12.354 -19.813 37.374 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -11.866 -19.495 38.771 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -14.604 -23.967 40.727 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -14.324 -24.874 40.852 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -13.845 -23.533 40.338 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -13.990 -26.704 40.776 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -13.808 -27.153 41.601 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -14.590 -27.289 40.312 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -14.587 -28.914 44.896 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -13.983 -28.366 44.395 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -15.456 -28.594 44.656 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -12.860 -27.775 43.230 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -12.248 -28.289 42.703 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.477 -26.897 43.253 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -15.913 -28.404 39.761 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -16.616 -27.790 39.551 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -16.358 -29.242 39.892 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -15.685 1.819 -12.283 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -16.126 1.099 -11.833 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -15.698 2.540 -11.653 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -17.861 -4.293 -9.851 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -17.718 -5.240 -9.831 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -17.967 -4.086 -10.780 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -16.984 -6.061 -14.178 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -16.338 -6.390 -13.553 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -16.474 -5.543 -14.801 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -15.220 -6.770 -12.197 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -15.435 -7.536 -11.665 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -14.564 -6.298 -11.684 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -15.173 3.659 -9.935 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -16.115 3.717 -9.774 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -14.897 4.565 -10.072 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -14.076 1.907 -6.324 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -13.936 1.316 -7.063 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -13.908 2.780 -6.680 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -16.300 -2.747 -6.532 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -16.220 -1.984 -5.960 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.901 -2.468 -7.223 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -11.521 4.588 -4.747 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -11.570 3.633 -4.784 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -12.347 4.856 -4.345 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -19.938 -9.343 -6.900 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -19.518 -9.758 -6.147 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -20.871 -9.521 -6.783 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -19.875 -3.287 -3.962 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -20.438 -3.991 -3.642 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -19.049 -3.407 -3.495 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -17.973 -4.016 -12.636 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -18.168 -3.411 -13.351 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -17.791 -4.850 -13.071 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -18.709 -2.378 -7.965 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -18.385 -3.009 -8.608 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -19.149 -2.913 -7.304 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -17.526 -7.216 -9.917 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.203 -7.085 -9.253 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -18.012 -7.371 -10.727 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -21.985 -5.275 -8.880 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -22.820 -4.821 -8.770 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -21.461 -4.999 -8.128 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -14.291 0.071 -8.409 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -13.649 0.528 -8.952 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -15.121 0.184 -8.871 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -17.671 3.584 -6.008 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -18.572 3.767 -6.276 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -17.637 3.843 -5.087 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -16.484 -0.577 -10.154 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -17.412 -0.809 -10.181 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -16.033 -1.354 -10.484 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -18.939 -6.812 -7.663 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -18.241 -6.738 -7.013 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -19.320 -7.676 -7.508 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -20.419 -4.446 -6.546 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -20.300 -3.872 -5.789 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -19.764 -5.134 -6.431 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -15.613 -2.788 -11.615 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -16.410 -3.203 -11.944 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -15.168 -3.479 -11.124 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -16.515 0.835 -5.995 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -15.770 1.423 -6.115 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -17.272 1.417 -5.932 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -19.106 -0.371 -2.739 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -18.153 -0.287 -2.767 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -19.266 -1.082 -2.120 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -17.376 -3.863 -2.174 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -17.184 -4.794 -2.285 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -16.519 -3.438 -2.184 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -16.060 -1.074 -4.096 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -16.341 -0.365 -4.674 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -15.117 -1.147 -4.247 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -21.304 -5.339 -3.447 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -21.540 -5.559 -2.545 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -22.087 -5.546 -3.956 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -18.588 -6.212 -4.371 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -19.536 -6.180 -4.239 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -18.276 -6.837 -3.717 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -21.993 -8.684 -2.285 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -22.124 -9.160 -3.106 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -22.592 -7.940 -2.341 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -12.247 6.685 -6.842 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -12.734 5.950 -7.213 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -11.698 6.292 -6.164 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -13.796 2.475 -2.204 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -14.662 2.370 -1.810 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -13.420 3.234 -1.757 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -12.101 -1.215 -14.866 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -12.827 -1.694 -14.468 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -11.520 -1.009 -14.134 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -12.342 1.570 -9.918 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -11.508 1.192 -10.199 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -12.230 2.513 -10.037 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -13.855 4.448 -7.611 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -14.503 4.773 -6.986 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -14.373 4.008 -8.286 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -14.314 -2.694 -14.303 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -14.464 -3.639 -14.323 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -14.668 -2.413 -13.459 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -13.992 -4.530 -10.405 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -13.059 -4.318 -10.439 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -14.227 -4.428 -9.482 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -19.729 -8.165 -11.784 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -20.404 -8.794 -11.529 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -19.165 -8.649 -12.387 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -14.587 -10.058 -11.672 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -13.983 -9.510 -12.173 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -15.456 -9.738 -11.912 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -12.860 -8.919 -13.338 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -12.248 -9.433 -13.865 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -12.477 -8.041 -13.315 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -17.266 -9.574 -12.500 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -17.190 -9.479 -13.449 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -17.542 -10.482 -12.371 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -13.874 5.739 -4.034 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -14.656 5.553 -4.554 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -13.946 6.668 -3.817 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -15.685 1.819 6.573 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -16.126 1.099 7.023 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -15.698 2.540 7.203 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -16.984 -6.061 4.678 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -16.338 -6.390 5.303 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -16.474 -5.543 4.055 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -11.947 -5.608 11.774 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -12.636 -4.950 11.679 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -11.932 -5.805 12.711 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -15.220 -6.770 6.659 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -15.435 -7.536 7.191 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -14.564 -6.298 7.172 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -15.173 3.659 8.921 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -16.115 3.717 9.082 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -14.897 4.565 8.784 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -14.873 -8.055 10.338 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -15.609 -7.444 10.300 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -14.189 -7.640 9.812 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -15.762 3.341 4.055 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -16.019 2.651 3.443 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -15.691 2.898 4.900 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -19.549 -2.673 -0.657 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -18.848 -2.651 -0.006 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -19.247 -3.301 -1.313 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -12.234 -1.753 10.598 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -12.886 -1.058 10.687 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.769 -1.543 9.788 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -16.197 -0.921 3.256 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -16.929 -0.693 3.829 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -15.750 -1.635 3.711 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -17.326 -1.759 0.941 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -16.747 -1.609 1.688 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -16.912 -1.288 0.218 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -12.438 4.357 -0.869 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -12.365 5.296 -0.699 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -11.533 4.052 -0.926 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -15.849 -0.726 -1.429 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -15.807 -0.949 -2.359 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -15.000 -0.328 -1.239 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -20.276 -6.850 -0.759 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -20.530 -6.831 0.164 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -20.533 -7.722 -1.060 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -17.526 -7.216 8.939 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -18.203 -7.085 9.603 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -18.012 -7.371 8.129 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -14.291 0.071 10.447 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -13.649 0.528 9.904 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -15.121 0.184 9.985 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -17.543 -6.248 -0.140 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -18.481 -6.136 -0.291 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -17.246 -5.391 0.166 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -16.825 -4.381 1.521 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -15.933 -4.518 1.840 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -16.768 -3.590 0.984 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -13.644 4.615 1.680 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -14.017 3.789 1.990 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -13.367 4.432 0.783 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -16.252 2.591 -0.499 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -15.899 2.211 0.305 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -17.201 2.498 -0.413 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -11.748 7.071 -0.298 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -11.005 7.657 -0.438 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -12.443 7.639 0.035 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -15.386 1.264 1.727 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -15.663 0.536 2.283 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -14.459 1.383 1.933 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -18.155 -7.160 2.290 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -17.935 -6.688 1.487 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -17.597 -6.765 2.961 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -20.955 -5.432 3.125 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -20.143 -4.928 3.171 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -21.200 -5.577 4.039 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -20.071 -8.351 4.063 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -20.418 -7.733 4.708 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -19.413 -7.850 3.582 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -14.215 -6.539 13.145 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -15.131 -6.276 13.057 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -13.879 -6.542 12.248 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -15.613 -2.788 7.241 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -16.410 -3.203 6.912 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -15.168 -3.479 7.732 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -14.526 6.468 8.863 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -14.682 7.146 8.206 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -13.594 6.540 9.066 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -15.519 5.383 -1.680 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -15.236 4.589 -1.227 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -14.779 5.616 -2.241 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -16.954 -7.578 16.490 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -17.051 -8.530 16.484 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -17.276 -7.309 17.351 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -11.810 7.118 9.092 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -11.832 7.303 10.031 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -11.120 7.687 8.751 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -12.342 1.570 8.938 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -11.508 1.192 8.657 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -12.230 2.513 8.819 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -13.484 -4.074 -1.068 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -13.387 -3.407 -1.748 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -13.624 -4.890 -1.550 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -14.314 -2.694 4.553 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -14.464 -3.639 4.533 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -14.668 -2.413 5.397 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -14.604 -5.111 3.015 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -14.324 -6.018 3.140 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -13.845 -4.677 2.626 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -13.992 -4.530 8.451 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -13.059 -4.318 8.417 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -14.227 -4.428 9.374 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -13.963 -3.793 11.227 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -14.806 -3.525 11.593 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -13.520 -2.971 11.016 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -12.160 -7.704 14.930 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -13.077 -7.433 14.894 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -12.037 -8.239 14.146 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -15.072 7.208 4.664 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -14.419 6.861 4.056 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -14.561 7.697 5.310 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -13.159 -9.614 12.749 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -13.972 -9.289 12.361 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -12.926 -10.374 12.216 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -17.266 -9.574 6.356 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -17.190 -9.479 5.407 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -17.542 -10.482 6.485 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -21.679 -7.524 1.597 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -21.501 -8.170 2.280 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -21.733 -6.690 2.064 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -13.092 6.988 2.672 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -13.286 6.240 2.107 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -13.131 7.746 2.088 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -17.050 -10.334 16.129 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -16.974 -10.760 16.983 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -16.157 -10.320 15.787 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -13.628 -10.009 19.610 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -14.527 -9.870 19.905 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -13.376 -9.178 19.208 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -13.484 -4.074 17.788 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -13.387 -3.407 17.108 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -13.624 -4.890 17.306 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -14.236 -6.666 16.905 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -13.626 -7.038 17.542 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -15.073 -7.088 17.101 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -13.990 -7.848 21.920 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -13.808 -8.297 22.745 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -14.590 -8.433 21.456 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -12.124 -7.781 18.448 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -11.711 -8.502 17.972 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -11.442 -7.111 18.506 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -14.587 -10.058 26.040 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -13.983 -9.510 25.539 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -15.456 -9.738 25.800 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -12.860 -8.919 24.374 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -12.248 -9.433 23.847 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -12.477 -8.041 24.397 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -15.913 -9.548 20.905 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -16.616 -8.934 20.695 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -16.358 -10.386 21.036 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -11.680 9.043 -2.275 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -11.330 8.389 -2.881 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -11.533 9.880 -2.715 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -5.359 -31.654 -2.145 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -4.591 -32.113 -1.804 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -5.380 -31.880 -3.075 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -8.167 -39.217 9.864 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -8.125 -39.843 10.588 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -7.464 -38.594 10.046 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 3.171 -35.893 6.573 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 2.730 -36.613 7.023 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 3.158 -35.172 7.203 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -7.243 -34.767 8.399 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -7.613 -35.569 8.030 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -6.302 -34.936 8.446 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -10.633 -41.107 3.792 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -11.081 -40.261 3.774 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -11.194 -41.687 3.277 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -9.923 -38.945 5.918 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -9.709 -39.715 6.445 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -9.185 -38.856 5.315 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -2.146 -36.399 8.677 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -1.842 -37.085 8.083 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -1.424 -36.281 9.295 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -9.230 -41.507 7.039 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -8.576 -42.057 7.471 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -9.206 -41.781 6.123 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 0.329 -35.486 3.895 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 0.033 -35.808 3.044 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 0.005 -34.586 3.937 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -4.471 -37.310 10.639 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -5.211 -36.712 10.742 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -3.757 -36.756 10.323 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -6.063 -35.346 11.426 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -6.069 -34.467 11.048 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -6.917 -35.429 11.851 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -9.942 -35.675 2.208 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -10.214 -35.446 1.319 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -9.897 -34.837 2.668 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 3.683 -34.053 8.921 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 2.741 -33.995 9.082 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 3.959 -33.147 8.784 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 3.094 -34.371 4.055 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 2.837 -35.061 3.443 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 3.165 -34.814 4.900 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 4.780 -35.805 12.532 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 4.920 -36.396 11.793 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 4.948 -34.932 12.176 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -5.696 -38.003 5.139 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -6.026 -38.373 4.320 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -5.108 -38.673 5.485 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -4.329 -34.575 7.820 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -4.424 -35.153 7.063 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -3.600 -34.946 8.316 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 0.980 -33.731 9.506 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 0.739 -33.069 10.154 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 0.782 -34.565 9.931 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -4.449 -34.835 13.489 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -4.761 -34.053 13.945 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -5.099 -34.988 12.803 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -0.744 -32.734 4.376 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -0.270 -32.439 5.154 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -1.307 -31.996 4.143 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -10.613 -36.570 11.543 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -11.114 -36.598 10.728 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -10.607 -37.476 11.853 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 7.335 -33.124 14.109 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 7.286 -34.079 14.072 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 6.509 -32.856 14.511 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 1.830 -30.624 -0.206 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 2.205 -31.368 -0.677 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 1.834 -30.894 0.712 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -8.364 -35.247 12.586 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -8.147 -35.608 13.446 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -9.219 -35.621 12.376 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -7.785 -36.782 14.824 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -7.052 -36.528 15.385 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -8.565 -36.578 15.339 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -1.065 -36.590 12.898 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -1.411 -36.971 13.704 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -1.265 -35.656 12.969 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -7.460 -37.479 7.430 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -6.715 -37.481 6.829 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -7.382 -38.303 7.912 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -10.452 -39.018 12.745 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -10.229 -39.436 13.577 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -11.054 -39.631 12.323 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -3.435 -39.501 14.958 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -3.731 -39.667 14.063 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -2.504 -39.721 14.948 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 6.880 -36.083 14.052 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 6.028 -35.845 13.685 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 7.470 -36.100 13.299 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 5.212 -33.097 1.680 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 4.839 -33.923 1.990 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 5.489 -33.280 0.783 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -5.085 -33.961 4.835 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -4.558 -33.188 4.634 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -5.965 -33.736 4.533 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -4.974 -31.276 3.956 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -5.924 -31.171 4.008 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -4.623 -30.456 4.301 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 0.401 -36.050 10.427 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -0.025 -36.277 11.253 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 0.982 -36.788 10.244 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 7.108 -30.641 -0.298 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 7.851 -30.055 -0.438 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 6.413 -30.073 0.035 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -9.167 -32.460 10.738 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -8.950 -33.392 10.707 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -8.920 -32.186 11.622 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -7.915 -37.186 0.914 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -8.601 -36.834 1.481 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -7.392 -36.423 0.668 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -1.630 -32.741 1.153 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -2.447 -32.244 1.206 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -1.101 -32.266 0.513 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -4.292 -31.698 1.135 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -4.131 -30.898 0.634 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -4.489 -31.391 2.020 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -7.299 -34.572 -0.189 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -6.707 -33.873 0.087 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -6.840 -35.005 -0.908 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 4.330 -31.244 8.863 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 4.174 -30.566 8.206 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 5.262 -31.172 9.066 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 3.337 -32.329 -1.680 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 3.620 -33.123 -1.227 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 4.077 -32.096 -2.241 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -10.049 -36.763 16.045 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -9.905 -37.665 15.759 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -10.822 -36.477 15.557 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -3.394 -36.793 15.478 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -3.722 -36.522 14.620 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -3.242 -37.734 15.390 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 2.341 -36.877 12.861 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 3.086 -36.289 12.741 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 1.584 -36.295 12.924 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -0.250 -38.083 16.117 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 0.703 -37.999 16.089 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -0.410 -38.794 16.736 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 2.796 -38.786 14.760 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.515 -38.077 14.182 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.739 -38.859 14.609 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -3.590 -29.513 -0.253 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -2.657 -29.355 -0.109 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -3.854 -28.838 -0.878 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -10.022 -34.877 -0.770 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -9.108 -34.798 -0.497 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -10.015 -35.564 -1.437 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 7.046 -30.594 9.092 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 7.024 -30.409 10.031 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 7.736 -30.025 8.751 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 5.060 -35.237 16.652 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 4.194 -35.342 17.046 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 5.436 -34.478 17.099 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 5.001 -33.264 11.245 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 4.353 -32.939 11.870 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 4.483 -33.704 10.570 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -10.423 -38.328 8.563 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -10.239 -38.410 7.628 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -9.574 -38.452 8.987 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -11.300 -41.746 8.664 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -10.808 -41.967 7.874 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -10.938 -40.905 8.945 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -9.809 -31.497 1.595 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -10.494 -31.535 0.927 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -9.806 -30.584 1.883 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -0.945 -30.287 -0.008 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -0.079 -29.921 -0.186 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -1.192 -30.727 -0.821 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 5.764 -30.724 2.672 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 5.570 -31.472 2.107 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 5.725 -29.966 2.088 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -7.991 -30.577 -1.380 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -8.259 -30.290 -0.507 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -7.220 -31.123 -1.228 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 0.532 -38.087 23.708 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 0.621 -37.143 23.576 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -0.107 -38.362 23.050 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -0.535 -38.832 27.127 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -0.573 -39.478 27.832 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -0.858 -39.298 26.356 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 3.171 -35.893 25.429 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 2.730 -36.613 25.879 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 3.158 -35.172 26.059 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -7.243 -34.767 27.255 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -7.613 -35.569 26.886 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -6.302 -34.936 27.302 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -2.146 -36.399 27.533 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -1.842 -37.085 26.939 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -1.424 -36.281 28.151 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -4.074 -39.957 25.111 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -3.458 -40.483 25.620 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -4.660 -40.597 24.707 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 0.329 -35.486 22.751 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 0.033 -35.808 21.900 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 0.005 -34.586 22.793 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -4.471 -37.310 29.495 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -5.211 -36.712 29.598 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -3.757 -36.756 29.179 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -6.063 -35.346 30.282 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -6.069 -34.467 29.904 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -6.917 -35.429 30.707 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -9.942 -35.675 21.064 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -10.214 -35.446 20.175 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -9.897 -34.837 21.524 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 3.683 -34.053 27.777 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 2.741 -33.995 27.938 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 3.959 -33.147 27.640 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 1.935 -32.272 24.402 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 2.360 -32.979 23.917 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 2.252 -31.471 23.985 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 3.094 -34.371 22.911 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 2.837 -35.061 22.299 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 3.165 -34.814 23.756 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -0.747 -38.843 21.160 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -1.459 -38.308 20.809 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -0.056 -38.787 20.500 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 2.659 -38.633 22.112 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 1.927 -38.405 22.685 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 3.106 -39.347 22.567 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -5.696 -38.003 23.995 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -6.026 -38.373 23.176 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -5.108 -38.673 24.341 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -5.329 -39.234 27.628 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -4.764 -39.113 26.865 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -5.010 -38.597 28.267 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 0.980 -33.731 28.362 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 0.739 -33.069 29.010 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 0.782 -34.565 28.787 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -4.449 -34.835 32.345 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -4.761 -34.053 32.801 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -5.099 -34.988 31.659 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -6.210 -32.763 33.109 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -6.202 -32.899 32.161 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -7.126 -32.881 33.361 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -6.706 -38.933 21.584 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -6.998 -38.165 21.093 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -7.380 -39.593 21.421 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 6.418 -33.355 17.987 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 6.491 -32.416 18.157 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 7.323 -33.660 17.930 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -10.862 -33.790 27.283 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -9.916 -33.934 27.264 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -10.975 -33.006 27.820 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -1.686 -33.550 31.841 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -1.599 -32.724 32.316 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -2.550 -33.880 32.090 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -8.364 -35.247 31.442 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -8.147 -35.608 32.302 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -9.219 -35.621 31.232 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 4.617 -29.256 34.072 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 4.817 -28.832 33.237 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 5.273 -28.913 34.679 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -7.460 -37.479 26.286 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -6.715 -37.481 25.685 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -7.382 -38.303 26.768 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -0.459 -35.315 19.542 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -0.754 -34.489 19.924 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -1.162 -35.935 19.738 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 1.185 -34.128 31.704 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 0.284 -33.945 31.436 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 1.219 -33.869 32.625 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 5.212 -33.097 20.536 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 4.839 -33.923 20.846 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 5.489 -33.280 19.639 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -3.143 -32.149 29.582 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -2.780 -31.294 29.349 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -2.611 -32.441 30.323 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 0.401 -36.050 29.283 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -0.025 -36.277 30.109 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 0.982 -36.788 29.100 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 2.604 -35.121 18.357 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 2.957 -35.501 19.161 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 1.655 -35.214 18.443 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 3.060 -31.498 31.752 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 2.458 -32.053 31.257 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 3.341 -30.831 31.126 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 3.470 -36.448 20.583 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 3.193 -37.176 21.139 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 4.397 -36.329 20.789 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -7.915 -37.186 19.770 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -8.601 -36.834 20.337 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -7.392 -36.423 19.524 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -7.299 -34.572 18.667 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -6.707 -33.873 18.943 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -6.840 -35.005 17.948 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 4.330 -31.244 27.719 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 4.174 -30.566 27.062 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 5.262 -31.172 27.922 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -9.245 -33.186 22.617 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -10.077 -32.713 22.644 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -8.699 -32.676 22.018 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -5.359 -31.654 35.567 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -4.591 -32.113 35.908 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -5.380 -31.880 34.637 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 1.218 -33.274 34.296 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 0.867 -34.130 34.539 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 1.944 -33.131 34.903 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -5.708 -36.419 17.033 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.644 -37.213 17.564 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -5.055 -36.538 16.344 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -0.356 -35.372 16.769 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -0.624 -35.192 17.670 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -0.562 -36.298 16.638 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -4.559 -38.447 19.339 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -5.018 -38.931 20.025 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -4.304 -39.115 18.703 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -10.022 -34.877 18.086 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -9.108 -34.798 18.359 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -10.015 -35.564 17.419 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -10.503 -31.403 24.968 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -10.837 -32.284 25.140 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -10.281 -31.058 25.832 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 6.609 -31.027 30.870 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 6.122 -31.762 30.499 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 7.158 -31.420 31.548 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 5.001 -33.264 30.101 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 4.353 -32.939 30.726 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 4.483 -33.704 29.426 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -8.831 -33.575 34.063 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -9.652 -33.400 33.603 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -9.083 -33.648 34.984 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -5.877 -32.600 30.322 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -6.302 -31.791 30.039 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -4.972 -32.515 30.020 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -1.566 -31.201 33.281 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -1.381 -31.535 34.159 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -0.719 -30.892 32.959 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 0.779 -29.916 32.525 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 1.456 -30.548 32.285 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 1.101 -29.514 33.333 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 1.030 -30.978 29.520 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 0.126 -30.813 29.254 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 1.459 -30.125 29.454 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 3.635 -29.408 29.815 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 3.453 -28.492 29.604 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 3.811 -29.818 28.968 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.919 -32.011 25.935 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -7.138 -32.927 26.104 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -6.095 -31.871 26.401 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 4.982 -31.973 33.678 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 4.200 -32.159 33.158 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 4.910 -31.044 33.895 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -9.942 -35.675 39.920 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -10.214 -35.446 39.031 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -9.897 -34.837 40.380 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -7.618 -30.989 42.284 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -7.466 -31.337 43.163 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -8.469 -31.345 42.029 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 1.830 -30.624 37.506 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 2.205 -31.368 37.035 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 1.834 -30.894 38.424 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -4.974 -31.276 41.668 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -5.924 -31.171 41.720 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -4.623 -30.456 42.013 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -4.292 -31.698 38.847 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -4.131 -30.898 38.346 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -4.489 -31.391 39.732 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -7.299 -34.572 37.523 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -6.707 -33.873 37.799 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -6.840 -35.005 36.804 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -9.245 -33.186 41.473 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -10.077 -32.713 41.500 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -8.699 -32.676 40.874 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -3.590 -29.513 37.459 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -2.657 -29.355 37.603 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -3.854 -28.838 36.834 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -10.022 -34.877 36.942 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -9.108 -34.798 37.215 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -10.015 -35.564 36.275 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -11.373 -29.484 42.019 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -12.020 -29.946 41.486 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -11.018 -30.156 42.602 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -10.503 -31.403 43.824 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -10.837 -32.284 43.996 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -10.281 -31.058 44.688 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -7.991 -30.577 36.332 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -8.259 -30.290 37.205 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -7.220 -31.123 36.484 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -8.167 -20.361 -8.992 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -8.125 -20.987 -8.268 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -7.464 -19.738 -8.810 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -7.243 -15.911 -10.457 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -7.613 -16.713 -10.826 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -6.302 -16.080 -10.410 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -4.471 -18.454 -8.217 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -5.211 -17.856 -8.114 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.757 -17.900 -8.533 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -6.063 -16.490 -7.430 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -6.069 -15.611 -7.808 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -6.917 -16.573 -7.005 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 4.780 -16.949 -6.324 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 4.920 -17.540 -7.063 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 4.948 -16.076 -6.680 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 6.622 -20.609 -8.258 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 5.970 -19.914 -8.169 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 7.087 -20.399 -9.068 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 2.556 -21.603 -6.532 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 2.636 -20.840 -5.960 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 1.955 -21.324 -7.223 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -5.329 -20.378 -10.084 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -4.764 -20.257 -10.847 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -5.010 -19.741 -9.445 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -10.862 -14.934 -10.429 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -9.916 -15.078 -10.448 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -10.975 -14.150 -9.892 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 7.335 -14.268 -4.747 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 7.286 -15.223 -4.784 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 6.509 -14.000 -4.345 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -1.686 -14.694 -5.871 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -1.599 -13.868 -5.396 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -2.550 -15.024 -5.622 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 4.487 -22.775 -4.267 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 4.080 -22.294 -4.987 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 4.528 -23.680 -4.574 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 2.244 -24.443 -6.046 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 1.730 -24.569 -5.249 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 2.089 -23.531 -6.291 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.654 -22.955 -9.179 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -6.296 -22.996 -8.470 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.617 -22.029 -9.417 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -1.019 -22.143 -3.962 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -1.582 -22.847 -3.642 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -0.193 -22.263 -3.495 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -7.904 -22.635 -7.312 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -7.942 -22.235 -6.444 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -8.395 -23.452 -7.222 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 0.147 -21.234 -7.965 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 0.471 -21.865 -8.608 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -0.293 -21.769 -7.304 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 4.617 -10.400 -3.640 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 4.817 -9.976 -4.475 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 5.273 -10.057 -3.033 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -3.129 -24.131 -8.880 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -3.964 -23.677 -8.770 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -2.605 -23.855 -8.128 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 4.565 -18.785 -8.409 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 5.207 -18.328 -8.952 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 3.735 -18.672 -8.871 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -1.065 -17.734 -5.958 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -1.411 -18.115 -5.152 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -1.265 -16.800 -5.887 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -7.460 -18.623 -11.426 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -6.715 -18.625 -12.027 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -7.382 -19.447 -10.944 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -10.452 -20.162 -6.111 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -10.229 -20.580 -5.279 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -11.054 -20.775 -6.533 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 1.185 -15.272 -6.008 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 0.284 -15.089 -6.276 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 1.219 -15.013 -5.087 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 6.880 -17.227 -4.804 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 6.028 -16.989 -5.171 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 7.470 -17.244 -5.557 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -3.143 -13.293 -8.130 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -2.780 -12.438 -8.363 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -2.611 -13.585 -7.389 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 0.401 -17.194 -8.429 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -0.025 -17.421 -7.603 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 0.982 -17.932 -8.612 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 3.060 -12.642 -5.960 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 2.458 -13.197 -6.455 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 3.341 -11.975 -6.586 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -8.818 -25.409 -6.553 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -9.711 -25.070 -6.620 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -8.917 -26.264 -6.135 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -1.563 -23.302 -6.546 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -1.444 -22.728 -5.789 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -0.908 -23.990 -6.431 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 4.641 -25.395 -5.711 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 3.725 -25.132 -5.799 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 4.977 -25.398 -6.608 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 1.218 -14.418 -3.416 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 0.867 -15.274 -3.173 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 1.944 -14.275 -2.809 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -10.049 -17.907 -2.811 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -9.905 -18.809 -3.097 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -10.822 -17.621 -3.299 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 2.341 -18.021 -5.995 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 3.086 -17.433 -6.115 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 1.584 -17.439 -5.932 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -9.217 -20.707 -3.391 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -8.809 -21.564 -3.512 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -9.477 -20.692 -2.470 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -4.518 -25.973 -7.442 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -3.982 -25.522 -8.094 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -5.370 -26.081 -7.864 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -2.936 -20.534 -7.202 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -2.185 -20.690 -7.775 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -3.275 -19.682 -7.478 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 0.268 -25.068 -4.371 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -0.680 -25.036 -4.239 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 0.580 -25.693 -3.717 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 1.902 -26.434 -2.366 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 1.805 -27.386 -2.372 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 1.580 -26.165 -1.505 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -8.271 -25.224 -3.318 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -8.060 -25.931 -3.929 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -8.383 -25.662 -2.474 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -3.490 -29.223 -4.339 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -2.778 -29.863 -4.353 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -3.591 -28.956 -5.253 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -3.137 -27.540 -2.285 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -3.268 -28.016 -3.106 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -3.736 -26.796 -2.341 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -10.503 -12.547 -12.744 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -10.837 -13.428 -12.572 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -10.281 -12.202 -11.880 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 5.001 -14.408 -7.611 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 4.353 -14.083 -6.986 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 4.483 -14.848 -8.286 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -10.423 -19.472 -10.293 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -10.239 -19.554 -11.228 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -9.574 -19.596 -9.869 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 5.398 -19.580 -4.664 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 5.981 -20.314 -4.473 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 5.962 -18.808 -4.618 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 6.895 -21.677 -3.980 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 6.032 -22.056 -4.145 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 7.499 -22.416 -4.054 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 4.893 -22.649 -7.629 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 4.050 -22.381 -7.263 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 5.336 -21.827 -7.840 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -10.825 -24.201 -4.152 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -9.906 -24.323 -3.916 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -11.275 -24.951 -3.763 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 6.696 -26.560 -3.926 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 5.779 -26.289 -3.962 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 6.819 -27.095 -4.710 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -5.877 -13.744 -7.390 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -6.302 -12.935 -7.673 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -4.972 -13.659 -7.692 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -1.566 -12.345 -4.431 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -1.381 -12.679 -3.553 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -0.719 -12.036 -4.753 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 0.779 -11.060 -5.187 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 1.456 -11.692 -5.427 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 1.101 -10.658 -4.379 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -6.008 -10.888 -8.313 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -6.873 -10.816 -7.909 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -6.063 -10.341 -9.097 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -9.060 -11.865 -10.432 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -9.079 -12.290 -9.575 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -8.255 -12.183 -10.841 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -6.919 -13.155 -11.777 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -7.138 -14.071 -11.608 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -6.095 -13.015 -11.311 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -8.589 -27.873 -4.445 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -8.955 -28.638 -4.002 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -7.676 -27.844 -4.158 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -6.616 -28.522 -2.909 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -5.717 -28.796 -3.094 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -7.002 -29.265 -2.445 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 1.806 -29.190 -2.727 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 1.882 -29.616 -1.873 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 2.699 -29.176 -3.069 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 4.982 -13.117 -4.034 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 4.200 -13.303 -4.554 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 4.910 -12.188 -3.817 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 5.228 -28.865 0.754 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 4.329 -28.726 1.049 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 5.480 -28.034 0.352 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 6.418 -14.499 -0.869 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 6.491 -13.560 -0.699 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 7.323 -14.804 -0.926 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -1.272 -10.922 2.791 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -1.347 -11.043 1.845 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.239 -9.972 2.910 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 1.830 -11.768 -0.206 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 2.205 -12.512 -0.677 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 1.834 -12.038 0.712 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 1.499 -11.842 2.543 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.564 -11.742 2.722 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 1.779 -12.551 3.121 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -1.420 -25.706 -0.759 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -1.674 -25.687 0.164 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -1.677 -26.578 -1.060 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 1.313 -25.104 -0.140 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 0.375 -24.992 -0.291 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 1.610 -24.247 0.166 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 5.212 -14.241 1.680 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 4.839 -15.067 1.990 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 5.489 -14.424 0.783 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -9.330 -20.243 -0.578 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -8.714 -19.616 -0.199 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -10.192 -19.927 -0.307 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 7.108 -11.785 -0.298 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 7.851 -11.199 -0.438 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 6.413 -11.217 0.035 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -1.267 -13.290 -1.914 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -1.911 -13.921 -1.592 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -0.505 -13.821 -2.146 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 3.337 -13.473 -1.680 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 3.620 -14.267 -1.227 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 4.077 -13.240 -2.241 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 4.620 -25.522 -1.951 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 5.230 -25.894 -1.314 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 3.783 -25.944 -1.755 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 6.732 -26.637 -0.408 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 7.145 -27.358 -0.884 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 7.414 -25.967 -0.350 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 3.784 -11.648 4.664 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 4.437 -11.995 4.056 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 4.295 -11.159 5.310 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -9.710 -28.589 0.697 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -9.271 -27.978 0.106 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -10.344 -28.051 1.171 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -7.849 -26.673 -0.860 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -7.358 -27.303 -1.388 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -7.226 -26.377 -0.197 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -0.945 -11.431 -0.008 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -0.079 -11.065 -0.186 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -1.192 -11.871 -0.821 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 5.764 -11.868 2.672 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 5.570 -12.616 2.107 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 5.725 -11.110 2.088 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 4.780 -16.949 31.388 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 4.920 -17.540 30.649 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 4.948 -16.076 31.032 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -4.449 -15.979 32.345 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -4.761 -15.197 32.801 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -5.099 -16.132 31.659 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -6.210 -13.907 33.109 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -6.202 -14.043 32.161 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -7.126 -14.025 33.361 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 7.335 -14.268 32.965 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 7.286 -15.223 32.928 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 6.509 -14.000 33.367 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -1.686 -14.694 31.841 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -1.599 -13.868 32.316 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -2.550 -15.024 32.090 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -7.618 -12.133 23.428 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -7.466 -12.481 24.307 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -8.469 -12.489 23.173 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 4.487 -22.775 33.445 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 4.080 -22.294 32.725 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 4.528 -23.680 33.138 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 6.880 -17.227 32.908 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 6.028 -16.989 32.541 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 7.470 -17.244 32.155 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -3.143 -13.293 29.582 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -2.780 -12.438 29.349 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -2.611 -13.585 30.323 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 3.060 -12.642 31.752 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 2.458 -13.197 31.257 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 3.341 -11.975 31.126 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -9.167 -13.604 29.594 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -8.950 -14.536 29.563 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -8.920 -13.330 30.478 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 4.330 -12.388 27.719 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 4.174 -11.710 27.062 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 5.262 -12.316 27.922 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -9.956 -11.717 33.947 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -9.416 -11.934 34.706 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -10.437 -12.523 33.757 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -5.359 -12.798 35.567 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -4.591 -13.257 35.908 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -5.380 -13.024 34.637 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 1.218 -14.418 34.296 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 0.867 -15.274 34.539 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 1.944 -14.275 34.903 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 1.902 -26.434 35.346 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 1.805 -27.386 35.340 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 1.580 -26.165 36.207 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -3.490 -29.223 33.373 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -2.778 -29.863 33.359 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -3.591 -28.956 32.459 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -3.137 -27.540 35.427 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -3.268 -28.016 34.606 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -3.736 -26.796 35.371 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -11.373 -10.628 23.163 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -12.020 -11.090 22.630 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -11.018 -11.300 23.746 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -10.503 -12.547 24.968 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -10.837 -13.428 25.140 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -10.281 -12.202 25.832 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 7.046 -11.738 27.948 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 7.024 -11.553 28.887 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 7.736 -11.169 27.607 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 6.609 -12.171 30.870 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 6.122 -12.906 30.499 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 7.158 -12.564 31.548 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 5.060 -16.381 35.508 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 4.194 -16.486 35.902 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 5.436 -15.622 35.955 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 6.514 -17.286 27.794 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 7.348 -17.664 27.513 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 6.626 -16.343 27.675 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 5.001 -14.408 30.101 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 4.353 -14.083 30.726 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 4.483 -14.848 29.426 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 7.023 -20.170 19.237 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 6.502 -19.813 18.518 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 6.990 -19.495 19.915 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 5.398 -19.580 33.048 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 5.981 -20.314 33.239 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 5.962 -18.808 33.094 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 6.895 -21.677 33.732 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 6.032 -22.056 33.567 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 7.499 -22.416 33.658 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 4.893 -22.649 30.083 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 4.050 -22.381 30.449 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 5.336 -21.827 29.872 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 7.176 -28.669 35.437 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 7.526 -29.323 34.831 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 7.323 -27.832 34.997 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 6.696 -26.560 33.786 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 5.779 -26.289 33.750 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 6.819 -27.095 33.002 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.831 -14.719 34.063 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -9.652 -14.544 33.603 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -9.083 -14.792 34.984 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -5.877 -13.744 30.322 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -6.302 -12.935 30.039 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -4.972 -13.659 30.020 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -1.566 -12.345 33.281 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -1.381 -12.679 34.159 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -0.719 -12.036 32.959 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 0.779 -11.060 32.525 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 1.456 -11.692 32.285 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 1.101 -10.658 33.333 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 5.697 -28.470 31.605 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 4.884 -28.145 31.217 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 5.930 -29.230 31.072 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -8.475 -10.488 30.369 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -9.195 -10.048 29.918 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -8.841 -10.739 31.218 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.008 -10.888 29.399 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -6.873 -10.816 29.803 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -6.063 -10.341 28.615 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -1.297 -11.000 28.575 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -1.754 -10.471 27.921 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -1.134 -10.397 29.300 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 1.030 -12.122 29.520 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 0.126 -11.957 29.254 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 1.459 -11.269 29.454 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 3.635 -10.552 29.815 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 3.453 -9.636 29.604 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 3.811 -10.962 28.968 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -9.060 -11.865 27.280 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -9.079 -12.290 28.137 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -8.255 -12.183 26.871 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -6.919 -13.155 25.935 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -7.138 -14.071 26.104 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -6.095 -13.015 26.401 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -4.382 -12.685 26.783 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -4.169 -13.573 26.496 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -4.317 -12.719 27.738 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 1.806 -29.190 34.985 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 1.882 -29.616 35.839 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 2.699 -29.176 34.643 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 4.982 -13.117 33.678 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 4.200 -13.303 33.158 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 4.910 -12.188 33.895 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -10.633 -22.251 41.504 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -11.081 -21.405 41.486 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -11.194 -22.831 40.989 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -0.747 -19.987 40.016 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -1.459 -19.452 39.665 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -0.056 -19.931 39.356 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 1.530 -20.615 38.653 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 2.109 -20.465 39.400 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 1.944 -20.144 37.930 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -6.706 -20.077 40.440 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -6.998 -19.309 39.949 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -7.380 -20.737 40.277 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 3.007 -19.582 36.283 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 3.049 -19.805 35.353 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 3.856 -19.184 36.473 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -1.420 -25.706 36.953 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -1.674 -25.687 37.876 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -1.677 -26.578 36.652 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -5.657 -22.734 42.301 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -6.550 -23.075 42.242 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -5.206 -23.111 41.545 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -0.121 -22.318 41.118 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -0.530 -21.503 40.826 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 0.599 -22.458 40.503 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -11.296 -25.519 43.106 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -10.665 -25.548 43.826 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -10.846 -25.944 42.376 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -8.247 -23.678 42.214 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.136 -23.578 41.874 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -7.951 -24.520 41.868 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -4.594 -23.678 39.870 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -3.662 -23.549 40.048 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -4.809 -23.008 39.221 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -6.753 -26.383 41.692 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -7.070 -27.285 41.657 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -5.972 -26.381 41.140 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.585 -17.918 39.373 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -3.329 -18.425 39.050 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.719 -17.869 40.319 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 1.313 -25.104 37.572 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 0.375 -24.992 37.421 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 1.610 -24.247 37.878 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 2.031 -23.237 39.233 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 2.923 -23.374 39.552 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 2.088 -22.446 38.696 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -0.459 -16.459 38.398 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -0.754 -15.633 38.780 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -1.162 -17.079 38.594 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -9.330 -20.243 37.134 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -8.714 -19.616 37.513 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -10.192 -19.927 37.405 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 2.604 -16.265 37.213 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 2.957 -16.645 38.017 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 1.655 -16.358 37.299 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 3.470 -17.592 39.439 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 3.193 -18.320 39.995 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 4.397 -17.473 39.645 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -3.305 -15.153 35.660 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -3.066 -15.901 35.112 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -3.574 -15.541 36.492 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -4.368 -15.583 38.116 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -4.221 -16.103 38.906 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -4.371 -14.676 38.422 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -7.915 -18.330 38.626 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -8.601 -17.978 39.193 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -7.392 -17.567 38.380 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 0.701 -26.016 40.002 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 0.921 -25.544 39.199 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 1.259 -25.621 40.673 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -2.099 -24.288 40.837 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -1.287 -23.784 40.883 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -2.344 -24.433 41.751 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -5.558 -26.144 38.463 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -5.641 -25.255 38.809 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -4.668 -26.409 38.694 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -7.299 -15.716 37.523 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -6.707 -15.017 37.799 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -6.840 -16.149 36.804 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -1.267 -13.290 35.798 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -1.911 -13.921 36.120 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -0.505 -13.821 35.566 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 3.337 -13.473 36.032 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 3.620 -14.267 36.485 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 4.077 -13.240 35.471 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -5.708 -17.563 35.889 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -5.644 -18.357 36.420 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.055 -17.682 35.200 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -0.356 -16.516 35.625 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -0.624 -16.336 36.526 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -0.562 -17.442 35.494 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -4.559 -19.591 38.195 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -5.018 -20.075 38.881 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -4.304 -20.259 37.559 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 5.902 -18.993 35.903 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 5.629 -19.418 35.090 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 5.942 -18.062 35.686 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -10.022 -16.021 36.942 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -9.108 -15.942 37.215 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -10.015 -16.708 36.275 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 5.372 -22.930 36.644 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 5.469 -22.263 35.964 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 5.232 -23.746 36.162 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 4.620 -25.522 35.761 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 5.230 -25.894 36.398 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 3.783 -25.944 35.957 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -8.547 -28.387 42.606 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -9.324 -28.621 42.098 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -8.016 -29.184 42.614 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -2.823 -26.380 39.309 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -2.645 -27.026 39.992 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -2.877 -25.546 39.776 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.535 -1.120 -10.585 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -0.573 -1.766 -9.880 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -0.858 -1.586 -11.356 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -10.633 -3.395 -15.064 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -11.081 -2.549 -15.082 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -11.194 -3.975 -15.579 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -2.146 1.313 -10.179 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -1.842 0.627 -10.773 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -1.424 1.431 -9.561 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -5.850 -6.192 -12.579 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -5.807 -5.332 -12.997 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.308 -6.744 -13.212 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -4.074 -2.245 -12.601 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -3.458 -2.771 -12.092 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -4.660 -2.885 -13.005 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -7.040 -7.274 -8.505 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -7.259 -6.744 -9.271 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -7.708 -7.047 -7.857 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -9.942 2.037 -16.648 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -10.214 2.266 -17.537 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -9.897 2.875 -16.188 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -5.696 -0.291 -13.717 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.026 -0.661 -14.536 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -5.108 -0.961 -13.371 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -4.329 3.137 -11.036 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -4.424 2.559 -11.793 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -3.600 2.766 -10.540 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -4.449 2.877 -5.367 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -4.761 3.659 -4.911 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -5.099 2.724 -6.053 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -6.210 4.949 -4.603 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.202 4.813 -5.551 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -7.126 4.831 -4.351 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -6.706 -1.221 -16.128 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -6.998 -0.453 -16.619 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -7.380 -1.881 -16.291 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -10.862 3.922 -10.429 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -9.916 3.778 -10.448 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -10.975 4.706 -9.892 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -5.745 -9.065 -10.274 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -6.606 -9.152 -10.682 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -5.767 -8.209 -9.847 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -1.082 -9.343 -6.900 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -0.662 -9.758 -6.147 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -2.015 -9.521 -6.783 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -5.657 -3.878 -14.267 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -6.550 -4.219 -14.326 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -5.206 -4.255 -15.023 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -1.019 -3.287 -3.962 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -1.582 -3.991 -3.642 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.193 -3.407 -3.495 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -11.296 -6.663 -13.462 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -10.665 -6.692 -12.742 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -10.846 -7.088 -14.192 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -8.247 -4.822 -14.354 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -9.136 -4.722 -14.694 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -7.951 -5.664 -14.700 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -1.755 -3.663 -11.294 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -1.191 -4.210 -11.841 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -1.903 -4.185 -10.505 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -3.129 -5.275 -8.880 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -3.964 -4.821 -8.770 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -2.605 -4.999 -8.128 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -1.065 1.122 -5.958 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -1.411 0.741 -5.152 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -1.265 2.056 -5.887 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -3.435 -1.789 -3.898 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -3.731 -1.955 -4.793 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -2.504 -2.009 -3.908 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -5.085 3.751 -14.021 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -4.558 4.524 -14.222 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -5.965 3.976 -14.323 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -3.658 1.414 -14.445 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -3.899 2.339 -14.403 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -4.398 0.955 -14.049 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -3.143 5.563 -8.130 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -2.780 6.418 -8.363 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -2.611 5.271 -7.389 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -9.167 5.252 -8.118 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -8.950 4.320 -8.149 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -8.920 5.526 -7.234 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -0.083 -6.812 -7.663 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.615 -6.738 -7.013 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -0.464 -7.676 -7.508 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -1.563 -4.446 -6.546 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -1.444 -3.872 -5.789 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -0.908 -5.134 -6.431 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -8.175 -9.414 -11.256 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -8.404 -9.355 -12.183 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.618 -10.206 -10.949 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -9.245 4.526 -15.095 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -10.077 4.999 -15.068 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -8.699 5.036 -15.694 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -9.956 7.139 -3.765 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -9.416 6.922 -3.006 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -10.437 6.333 -3.955 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -5.359 6.058 -2.145 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -4.591 5.599 -1.804 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -5.380 5.832 -3.075 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -3.394 0.919 -3.378 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -3.722 1.190 -4.236 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -3.242 -0.022 -3.466 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -0.250 -0.371 -2.739 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 0.703 -0.287 -2.767 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -0.410 -1.082 -2.120 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -4.518 -7.117 -7.442 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -3.982 -6.666 -8.094 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -5.370 -7.225 -7.864 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -2.936 -1.678 -7.202 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -2.185 -1.834 -7.775 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -3.275 -0.826 -7.478 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 1.480 -3.863 -2.174 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 1.672 -4.794 -2.285 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 2.337 -3.438 -2.184 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -3.712 -9.661 -7.010 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -3.810 -8.714 -7.116 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -4.455 -10.033 -7.486 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 0.268 -6.212 -4.371 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -0.680 -6.180 -4.239 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 0.580 -6.837 -3.717 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 1.902 -7.578 -2.366 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 1.805 -8.530 -2.372 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 1.580 -7.309 -1.505 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -3.490 -10.367 -4.339 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -2.778 -11.007 -4.353 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -3.591 -10.100 -5.253 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -9.604 -7.033 -11.261 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -9.159 -7.825 -10.959 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -9.138 -6.317 -10.830 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -5.877 5.112 -7.390 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -6.302 5.921 -7.673 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -4.972 5.197 -7.692 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -9.060 6.991 -10.432 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -9.079 6.566 -9.575 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -8.255 6.673 -10.841 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -6.919 5.701 -11.777 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -7.138 4.785 -11.608 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -6.095 5.841 -11.311 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -4.382 6.171 -10.929 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -4.169 5.283 -11.216 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -4.317 6.137 -9.974 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 1.806 -10.334 -2.727 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 1.882 -10.760 -1.873 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 2.699 -10.320 -3.069 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -8.167 -1.505 9.864 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -8.125 -2.131 10.588 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -7.464 -0.882 10.046 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -7.243 2.945 8.399 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -7.613 2.143 8.030 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -6.302 2.776 8.446 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 6.517 -7.086 9.538 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 6.566 -6.476 10.274 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 6.943 -6.625 8.815 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -5.850 -6.192 6.277 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -5.807 -5.332 5.859 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -6.308 -6.744 5.644 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 1.872 -6.061 4.678 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 2.518 -6.390 5.303 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 2.382 -5.543 4.055 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -9.230 -3.795 7.039 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -8.576 -4.345 7.471 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -9.206 -4.069 6.123 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -4.074 -2.245 6.255 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -3.458 -2.771 6.764 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -4.660 -2.885 5.851 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 6.909 -5.608 11.774 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 6.220 -4.950 11.679 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 6.924 -5.805 12.711 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -7.040 -7.274 10.351 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -7.259 -6.744 9.585 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -7.708 -7.047 10.999 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -4.471 0.402 10.639 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -5.211 1.000 10.742 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -3.757 0.956 10.323 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 3.636 -6.770 6.659 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 3.421 -7.536 7.191 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 4.292 -6.298 7.172 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -7.446 -5.382 8.304 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -6.833 -4.749 8.677 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -6.934 -5.854 7.647 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -6.063 2.366 11.426 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -6.069 3.245 11.048 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -6.917 2.283 11.851 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 3.983 -8.055 10.338 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 3.247 -7.444 10.300 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 4.667 -7.640 9.812 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -3.014 -9.968 7.804 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.131 -10.917 7.750 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -3.869 -9.636 8.077 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -0.747 -1.131 2.304 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -1.459 -0.596 1.953 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -0.056 -1.075 1.644 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -0.693 -2.673 -0.657 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 0.008 -2.651 -0.006 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -0.391 -3.301 -1.313 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -5.696 -0.291 5.139 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -6.026 -0.661 4.320 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -5.108 -0.961 5.485 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -4.329 3.137 7.820 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -4.424 2.559 7.063 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -3.600 2.766 8.316 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -5.329 -1.522 8.772 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -4.764 -1.401 8.009 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -5.010 -0.885 9.411 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 1.530 -1.759 0.941 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 2.109 -1.609 1.688 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 1.944 -1.288 0.218 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 5.228 -10.009 0.754 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 4.329 -9.870 1.049 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 5.480 -9.178 0.352 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -10.613 1.142 11.543 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -11.114 1.114 10.728 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -10.607 0.236 11.853 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -10.862 3.922 8.427 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -9.916 3.778 8.408 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -10.975 4.706 8.964 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -7.618 6.723 4.572 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -7.466 6.375 5.451 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -8.469 6.367 4.317 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 4.487 -3.919 14.589 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 4.080 -3.438 13.869 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 4.528 -4.824 14.282 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -8.364 2.465 12.586 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -8.147 2.104 13.446 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -9.219 2.091 12.376 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -5.745 -9.065 8.582 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -6.606 -9.152 8.174 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -5.767 -8.209 9.009 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -1.082 -9.343 11.956 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -0.662 -9.758 12.709 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -2.015 -9.521 12.073 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 2.244 -5.587 12.810 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 1.730 -5.713 13.607 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 2.089 -4.675 12.565 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -5.654 -4.099 9.677 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -6.296 -4.140 10.386 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -5.617 -3.173 9.439 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.657 -3.878 4.589 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.550 -4.219 4.530 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -5.206 -4.255 3.833 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -0.121 -3.462 3.406 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -0.530 -2.647 3.114 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 0.599 -3.602 2.791 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 0.883 -4.016 6.220 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 0.688 -3.411 5.505 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 1.065 -4.850 5.785 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -7.904 -3.779 11.544 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -7.942 -3.379 12.412 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -8.395 -4.596 11.634 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -3.075 -6.451 5.675 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -3.986 -6.394 5.964 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -2.570 -6.511 6.486 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 1.330 -7.216 8.939 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 0.653 -7.085 9.603 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 0.844 -7.371 8.129 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -1.755 -3.663 7.562 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -1.191 -4.210 7.015 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -1.903 -4.185 8.351 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -2.585 0.938 1.661 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -3.329 0.431 1.338 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -2.719 0.987 2.607 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 1.313 -6.248 -0.140 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 0.375 -6.136 -0.291 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 1.610 -5.391 0.166 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 2.031 -4.381 1.521 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 2.923 -4.518 1.840 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 2.088 -3.590 0.984 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -0.459 2.397 0.686 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -0.754 3.223 1.068 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -1.162 1.777 0.882 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -5.085 3.751 4.835 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -4.558 4.524 4.634 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -5.965 3.976 4.533 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -3.658 1.414 4.411 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -3.899 2.339 4.453 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -4.398 0.955 4.807 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -4.974 6.436 3.956 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -5.924 6.541 4.008 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -4.623 7.256 4.301 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -8.818 -6.553 12.303 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -9.711 -6.214 12.236 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -8.917 -7.408 12.721 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -9.167 5.252 10.738 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -8.950 4.320 10.707 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -8.920 5.526 11.622 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -3.305 3.703 -2.052 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -3.066 2.955 -2.600 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -3.574 3.315 -1.220 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -0.083 -6.812 11.193 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 0.615 -6.738 11.843 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -0.464 -7.676 11.348 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 0.701 -7.160 2.290 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 0.921 -6.688 1.487 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 1.259 -6.765 2.961 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -1.630 4.971 1.153 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -2.447 5.468 1.206 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -1.101 5.446 0.513 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -1.215 -8.351 4.063 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -1.562 -7.733 4.708 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -0.557 -7.850 3.582 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -4.292 6.014 1.135 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -4.131 6.814 0.634 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -4.489 6.321 2.020 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 4.641 -6.539 13.145 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 3.725 -6.276 13.057 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 4.977 -6.542 12.248 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -1.267 5.566 -1.914 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -1.911 4.935 -1.592 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -0.505 5.035 -2.146 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -0.356 2.340 -2.087 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -0.624 2.520 -1.186 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -0.562 1.414 -2.218 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -3.488 -2.492 -1.254 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -3.668 -2.646 -2.182 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -2.537 -2.384 -1.210 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -4.930 -5.487 13.922 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -4.780 -6.216 13.319 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -4.928 -4.710 13.363 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -4.518 -7.117 11.414 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -3.982 -6.666 10.762 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -5.370 -7.225 10.992 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 1.480 -3.863 16.682 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 1.672 -4.794 16.571 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 2.337 -3.438 16.672 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -6.452 -4.289 15.833 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -7.219 -4.821 15.623 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -5.773 -4.599 15.234 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -2.448 -5.339 15.409 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -2.684 -5.559 16.311 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -3.231 -5.546 14.900 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 0.268 -6.212 14.485 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -0.680 -6.180 14.617 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 0.580 -6.837 15.139 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -8.271 -6.368 15.538 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -8.060 -7.075 14.927 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -8.383 -6.806 16.382 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -3.590 8.199 -0.253 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -2.657 8.357 -0.109 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -3.854 8.874 -0.878 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -11.373 8.228 4.307 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -12.020 7.766 3.774 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -11.018 7.556 4.890 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -10.503 6.309 6.112 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -10.837 5.428 6.284 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -10.281 6.654 6.976 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -10.423 -0.616 8.563 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -10.239 -0.698 7.628 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -9.574 -0.740 8.987 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 4.864 -4.530 8.451 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 5.797 -4.318 8.417 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 4.629 -4.428 9.374 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -10.825 -5.345 14.704 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -9.906 -5.467 14.940 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -11.275 -6.095 15.093 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 4.866 -7.848 3.064 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 5.048 -8.297 3.889 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 4.266 -8.433 2.600 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -11.300 -4.034 8.664 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -10.808 -4.255 7.874 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -10.938 -3.193 8.945 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 6.696 -7.704 14.930 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 5.779 -7.433 14.894 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 6.819 -8.239 14.146 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -11.023 -9.038 11.063 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -11.688 -9.284 11.706 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -11.466 -8.416 10.486 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -9.060 6.991 8.424 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -9.079 6.566 9.281 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -8.255 6.673 8.015 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -6.919 5.701 7.079 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -7.138 4.785 7.248 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -6.095 5.841 7.545 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -4.382 6.171 7.927 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -4.169 5.283 7.640 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -4.317 6.137 8.882 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -0.873 -8.165 7.072 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -1.548 -8.794 7.327 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -0.309 -8.649 6.469 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 5.996 -8.919 5.518 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 6.608 -9.433 4.991 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 6.379 -8.041 5.541 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -3.967 -9.604 4.707 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -3.093 -9.216 4.677 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -4.103 -9.819 5.630 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 1.590 -9.574 6.356 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 1.666 -9.479 5.407 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 1.314 -10.482 6.485 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 2.943 -9.548 2.049 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 2.240 -8.934 1.839 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 2.498 -10.386 2.180 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -9.809 6.215 1.595 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -10.494 6.177 0.927 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -9.806 7.128 1.883 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -7.991 7.135 -1.380 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -8.259 7.422 -0.507 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -7.220 6.589 -1.228 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 0.532 -0.375 23.708 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 0.621 0.569 23.576 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -0.107 -0.650 23.050 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -0.535 -1.120 27.127 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -0.573 -1.766 27.832 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -0.858 -1.586 26.356 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 6.517 -7.086 28.394 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 6.566 -6.476 29.130 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 6.943 -6.625 27.671 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 0.995 -4.293 27.861 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 1.138 -5.240 27.881 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 0.889 -4.086 26.932 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -5.850 -6.192 25.133 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -5.807 -5.332 24.715 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -6.308 -6.744 24.500 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -4.074 -2.245 25.111 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -3.458 -2.771 25.620 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -4.660 -2.885 24.707 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 3.983 -8.055 29.194 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 3.247 -7.444 29.156 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 4.667 -7.640 28.668 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -3.014 -9.968 26.660 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -3.131 -10.917 26.606 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -3.869 -9.636 26.933 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -0.747 -1.131 21.160 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -1.459 -0.596 20.809 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -0.056 -1.075 20.500 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -0.693 -2.673 18.199 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 0.008 -2.651 18.850 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -0.391 -3.301 17.543 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 2.659 -0.921 22.112 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 1.927 -0.693 22.685 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 3.106 -1.635 22.567 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 1.530 -1.759 19.797 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 2.109 -1.609 20.544 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 1.944 -1.288 19.074 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -1.082 -9.343 30.812 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -0.662 -9.758 31.565 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -2.015 -9.521 30.929 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -1.420 -6.850 18.097 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -1.674 -6.831 19.020 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -1.677 -7.722 17.796 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -5.657 -3.878 23.445 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -6.550 -4.219 23.386 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -5.206 -4.255 22.689 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -4.538 -6.405 17.198 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -4.969 -6.850 17.928 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -5.256 -6.033 16.686 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -10.021 -5.917 19.674 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -9.547 -5.326 19.089 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -10.739 -5.386 20.021 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -3.075 -6.451 24.531 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -3.986 -6.394 24.820 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -2.570 -6.511 25.342 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -4.594 -4.822 21.014 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -3.662 -4.693 21.192 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -4.809 -4.152 20.365 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 1.330 -7.216 27.795 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 0.653 -7.085 28.459 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 0.844 -7.371 26.985 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -1.755 -3.663 26.418 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -1.191 -4.210 25.871 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -1.903 -4.185 27.207 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -3.129 -5.275 28.832 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -3.964 -4.821 28.942 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -2.605 -4.999 29.584 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 6.916 -4.171 20.071 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 6.362 -4.567 19.399 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 7.017 -3.261 19.794 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -0.083 -6.812 30.049 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 0.615 -6.738 30.699 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -0.464 -7.676 30.204 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -2.099 -5.432 21.981 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -1.287 -4.928 22.027 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -2.344 -5.577 22.895 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -5.558 -7.288 19.607 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -5.641 -6.399 19.953 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -4.668 -7.553 19.838 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 3.243 -2.788 26.097 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 2.446 -3.203 25.768 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 3.688 -3.479 26.588 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -8.983 -4.196 17.783 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -9.028 -3.257 17.962 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -9.871 -4.432 17.513 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -3.712 -9.661 30.702 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -3.810 -8.714 30.596 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -4.455 -10.033 30.226 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 6.755 -1.215 22.846 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 6.029 -1.694 23.244 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 7.336 -1.009 23.578 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 5.372 -4.074 17.788 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 5.469 -3.407 17.108 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 5.232 -4.890 17.306 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 4.542 -2.694 23.409 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 4.392 -3.639 23.389 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 4.188 -2.413 24.253 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 4.620 -6.666 16.905 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 5.230 -7.038 17.542 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 3.783 -7.088 17.101 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 4.864 -4.530 27.307 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 5.797 -4.318 27.273 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 4.629 -4.428 28.230 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 6.732 -7.781 18.448 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 7.145 -8.502 17.972 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 7.414 -7.111 18.506 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -10.987 -7.776 21.575 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -11.912 -7.567 21.445 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -10.533 -7.292 20.885 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -0.873 -8.165 25.928 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -1.548 -8.794 26.183 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -0.309 -8.649 25.325 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 4.269 -10.058 26.040 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 4.873 -9.510 25.539 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 3.400 -9.738 25.800 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 5.996 -8.919 24.374 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 6.608 -9.433 23.847 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 6.379 -8.041 24.397 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -8.547 -9.531 23.750 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -9.324 -9.765 23.242 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -8.016 -10.328 23.758 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -3.967 -9.604 23.563 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -3.093 -9.216 23.533 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -4.103 -9.819 24.486 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -7.849 -7.817 17.996 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -7.358 -8.447 17.468 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -7.226 -7.521 18.659 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -2.823 -7.524 20.453 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -2.645 -8.170 21.136 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -2.877 -6.690 20.920 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -6.616 9.190 -2.909 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -5.717 8.916 -3.094 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -7.002 8.447 -2.445 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -8.175 9.442 7.600 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -8.404 9.501 6.673 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -8.618 8.650 7.907 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -8.547 9.325 4.894 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -9.324 9.091 4.386 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -8.016 8.528 4.902 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -9.710 9.123 0.697 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -9.271 9.734 0.106 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -10.344 9.661 1.171 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 12.646 -32.763 14.253 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 12.654 -32.899 13.305 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 11.730 -32.881 14.505 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 7.994 -33.790 8.427 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 8.940 -33.934 8.408 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 7.881 -33.006 8.964 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 11.238 -30.989 4.572 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 11.390 -31.337 5.451 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 10.387 -31.345 4.317 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 9.689 -32.460 10.738 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 9.906 -33.392 10.707 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 9.936 -32.186 11.622 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 13.497 -31.654 16.711 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 14.265 -32.113 17.052 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 13.476 -31.880 15.781 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 7.483 -29.484 4.307 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 6.836 -29.946 3.774 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 7.838 -30.156 4.890 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 8.353 -31.403 6.112 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 8.019 -32.284 6.284 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 8.575 -31.058 6.976 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 10.025 -33.575 15.207 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 9.204 -33.400 14.747 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 9.773 -33.648 16.128 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 10.381 -29.344 11.513 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 9.661 -28.904 11.062 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 10.015 -29.595 12.362 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 12.848 -29.744 10.543 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 11.983 -29.672 10.947 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 12.793 -29.197 9.759 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 9.796 -30.721 8.424 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 9.777 -31.146 9.281 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 10.601 -31.039 8.015 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 11.937 -32.011 7.079 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 11.718 -32.927 7.248 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 12.761 -31.871 7.545 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 9.047 -31.497 1.595 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 8.362 -31.535 0.927 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.050 -30.584 1.883 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 7.994 -33.790 27.283 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 8.940 -33.934 27.264 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 7.881 -33.006 27.820 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 11.238 -30.989 23.428 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 11.390 -31.337 24.307 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 10.387 -31.345 23.173 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 13.882 -31.276 22.812 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 12.932 -31.171 22.864 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 14.233 -30.456 23.157 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 9.689 -32.460 29.594 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 9.906 -33.392 29.563 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 9.936 -32.186 30.478 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 9.611 -33.186 22.617 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 8.779 -32.713 22.644 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 10.157 -32.676 22.018 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 8.900 -30.573 33.947 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 9.440 -30.790 34.706 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 8.419 -31.379 33.757 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 8.834 -34.877 18.086 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 9.748 -34.798 18.359 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 8.841 -35.564 17.419 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 10.381 -29.344 30.369 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 9.661 -28.904 29.918 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 10.015 -29.595 31.218 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 12.848 -29.744 29.399 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 11.983 -29.672 29.803 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 12.793 -29.197 28.615 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 9.796 -30.721 27.280 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 9.777 -31.146 28.137 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 10.601 -31.039 26.871 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 11.937 -32.011 25.935 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 11.718 -32.927 26.104 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 12.761 -31.871 26.401 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 14.474 -31.541 26.783 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 14.687 -32.429 26.496 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 14.539 -31.575 27.738 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.047 -31.497 20.451 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.362 -31.535 19.783 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.050 -30.584 20.739 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 10.865 -30.577 17.476 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.597 -30.290 18.349 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.636 -31.123 17.628 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.243 -17.714 -7.313 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 7.742 -17.742 -8.128 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.249 -18.620 -7.003 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 8.404 -20.162 -6.111 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.627 -20.580 -5.279 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 7.802 -20.775 -6.533 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 8.807 -17.907 -2.811 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 8.951 -18.809 -3.097 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 8.034 -17.621 -3.299 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 9.639 -20.707 -3.391 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 10.047 -21.564 -3.512 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 9.379 -20.692 -2.470 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 12.404 -23.145 -3.023 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 11.637 -23.677 -3.233 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 13.083 -23.455 -3.622 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.031 -24.201 -4.152 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.950 -24.323 -3.916 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 7.581 -24.951 -3.763 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 10.025 -14.719 -3.649 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 9.204 -14.544 -4.109 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 9.773 -14.792 -2.728 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 11.613 -15.911 8.399 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 11.243 -16.713 8.030 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 12.554 -16.080 8.446 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 13.006 -25.048 6.277 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 13.049 -24.188 5.859 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 12.548 -25.600 5.644 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 14.782 -21.101 6.255 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 15.398 -21.627 6.764 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 14.196 -21.741 5.851 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 11.816 -26.130 10.351 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 11.597 -25.600 9.585 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 11.148 -25.903 10.999 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 14.385 -18.454 10.639 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 13.645 -17.856 10.742 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 15.099 -17.900 10.323 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 11.410 -24.238 8.304 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 12.023 -23.605 8.677 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 11.922 -24.710 7.647 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.793 -16.490 11.426 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 12.787 -15.611 11.048 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 11.939 -16.573 11.851 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 13.160 -19.147 5.139 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 12.830 -19.517 4.320 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 13.748 -19.817 5.485 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 14.527 -15.719 7.820 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 14.432 -16.297 7.063 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 15.256 -16.090 8.316 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 13.527 -20.378 8.772 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 14.092 -20.257 8.009 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 13.846 -19.741 9.411 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 14.407 -15.979 13.489 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 14.095 -15.197 13.945 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.757 -16.132 12.803 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.111 -27.921 8.582 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 12.250 -28.008 8.174 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.089 -27.065 9.009 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 13.202 -22.955 9.677 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 12.560 -22.996 10.386 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 13.239 -22.029 9.439 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 13.199 -22.734 4.589 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 12.306 -23.075 4.530 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 13.650 -23.111 3.833 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.952 -22.635 11.544 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.914 -22.235 12.412 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 10.461 -23.452 11.634 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.835 -24.773 0.818 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 9.309 -24.182 0.233 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 8.117 -24.242 1.165 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 14.262 -23.678 2.158 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 15.194 -23.549 2.336 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 14.047 -23.008 1.509 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 12.936 -22.483 -0.275 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 12.394 -22.863 -0.966 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 13.770 -22.289 -0.704 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 11.071 -17.926 14.824 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.804 -17.672 15.385 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.291 -17.722 15.339 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 12.103 -26.383 3.980 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 11.786 -27.285 3.945 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 12.884 -26.381 3.428 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.771 -15.105 4.835 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.298 -14.332 4.634 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 12.891 -14.880 4.533 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 15.198 -17.442 4.411 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 14.957 -16.517 4.453 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 14.458 -17.901 4.807 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.038 -25.409 12.303 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.145 -25.070 12.236 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 9.939 -26.264 12.721 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.689 -13.604 10.738 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.906 -14.536 10.707 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.936 -13.330 11.622 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 10.941 -18.330 0.914 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 10.255 -17.978 1.481 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 11.464 -17.567 0.668 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 13.298 -26.144 0.751 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.215 -25.255 1.097 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.188 -26.409 0.982 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.557 -15.716 -0.189 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 12.149 -15.017 0.087 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 12.016 -16.149 -0.908 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.873 -23.052 -1.073 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 9.828 -22.113 -0.894 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.985 -23.288 -1.343 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 10.681 -28.270 7.600 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 10.452 -28.211 6.673 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 10.238 -29.062 7.907 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 9.611 -14.330 3.761 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 8.779 -13.857 3.788 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 10.157 -13.820 3.162 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 13.497 -12.798 16.711 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 14.265 -13.257 17.052 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 13.476 -13.024 15.781 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 8.807 -17.907 16.045 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 8.951 -18.809 15.759 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 8.034 -17.621 15.557 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 13.148 -17.563 -1.823 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 13.212 -18.357 -1.292 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 13.801 -17.682 -2.512 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 15.462 -17.937 15.478 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 15.134 -17.666 14.620 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 15.614 -18.878 15.390 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 9.639 -20.707 15.465 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 10.047 -21.564 15.344 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 9.379 -20.692 16.386 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 14.297 -19.591 0.483 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 13.838 -20.075 1.169 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 14.552 -20.259 -0.153 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 13.586 -21.698 12.839 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 12.968 -21.023 13.120 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.930 -21.377 12.006 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 14.338 -25.973 11.414 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 14.874 -25.522 10.762 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 13.486 -26.081 10.992 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 12.404 -23.145 15.833 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.637 -23.677 15.623 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 13.083 -23.455 15.234 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 10.585 -25.224 15.538 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.796 -25.931 14.927 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 10.473 -25.662 16.382 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 8.834 -16.021 -0.770 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 9.748 -15.942 -0.497 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 8.841 -16.708 -1.437 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 7.483 -10.628 4.307 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 6.836 -11.090 3.774 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 7.838 -11.300 4.890 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 8.353 -12.547 6.112 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.019 -13.428 6.284 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 8.575 -12.202 6.976 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 12.979 -13.744 11.466 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 12.554 -12.935 11.183 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 13.884 -13.659 11.164 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 10.381 -10.488 11.513 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.661 -10.048 11.062 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 10.015 -10.739 12.362 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 12.848 -10.888 10.543 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 11.983 -10.816 10.947 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 12.793 -10.341 9.759 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 9.796 -11.865 8.424 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 9.777 -12.290 9.281 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 10.601 -12.183 8.015 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 11.937 -13.155 7.079 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 11.718 -14.071 7.248 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 12.761 -13.015 7.545 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 10.309 -28.387 4.894 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.532 -28.621 4.386 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 10.840 -29.184 4.902 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 9.146 -28.589 0.697 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 9.585 -27.978 0.106 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.512 -28.051 1.171 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 9.047 -12.641 1.595 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 8.362 -12.679 0.927 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.050 -11.728 1.883 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 11.007 -26.673 -0.860 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 11.498 -27.303 -1.388 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.630 -26.377 -0.197 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 12.240 -28.522 15.947 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 13.139 -28.796 15.762 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 11.854 -29.265 16.411 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 11.613 -15.911 27.255 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 11.243 -16.713 26.886 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 12.554 -16.080 27.302 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 8.223 -22.251 22.648 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 7.775 -21.405 22.630 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 7.662 -22.831 22.133 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 8.933 -20.089 24.774 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 9.147 -20.859 25.301 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.671 -20.000 24.171 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 13.006 -25.048 25.133 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.049 -24.188 24.715 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 12.548 -25.600 24.500 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 14.782 -21.101 25.111 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 15.398 -21.627 25.620 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 14.196 -21.741 24.707 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 14.385 -18.454 29.495 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 13.645 -17.856 29.598 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 15.099 -17.900 29.179 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.793 -16.490 30.282 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 12.787 -15.611 29.904 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 11.939 -16.573 30.707 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 8.914 -16.819 21.064 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 8.642 -16.590 20.175 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 8.959 -15.981 21.524 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 13.160 -19.147 23.995 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 12.830 -19.517 23.176 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 13.748 -19.817 24.341 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 12.150 -20.077 21.584 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 11.858 -19.309 21.093 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 11.476 -20.737 21.421 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 8.243 -17.714 30.399 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 7.742 -17.742 29.584 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 8.249 -18.620 30.709 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.994 -14.934 27.283 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 8.940 -15.078 27.264 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 7.881 -14.150 27.820 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 11.238 -12.133 23.428 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 11.390 -12.481 24.307 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.387 -12.489 23.173 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 10.492 -16.391 31.442 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 10.709 -16.752 32.302 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 9.637 -16.765 31.232 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.111 -27.921 27.438 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 12.250 -28.008 27.030 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 13.089 -27.065 27.865 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 13.199 -22.734 23.445 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 12.306 -23.075 23.386 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 13.650 -23.111 22.689 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 15.781 -25.307 24.531 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 14.870 -25.250 24.820 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 16.286 -25.367 25.342 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 10.609 -23.678 23.358 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 9.720 -23.578 23.018 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 10.905 -24.520 23.012 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 14.262 -23.678 21.014 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 15.194 -23.549 21.192 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 14.047 -23.008 20.365 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 12.936 -22.483 18.581 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 12.394 -22.863 17.890 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 13.770 -22.289 18.152 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 11.071 -17.926 33.680 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 11.804 -17.672 34.241 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 10.291 -17.722 34.195 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 17.101 -22.519 26.418 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 17.665 -23.066 25.871 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 16.953 -23.041 27.207 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 12.103 -26.383 22.836 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 11.786 -27.285 22.801 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 12.884 -26.381 22.284 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 15.727 -24.131 28.832 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 14.892 -23.677 28.942 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 16.251 -23.855 29.584 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 11.396 -18.623 26.286 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 12.141 -18.625 25.685 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 11.474 -19.447 26.768 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 15.421 -20.645 33.814 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 15.125 -20.811 32.919 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 16.352 -20.865 33.804 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.526 -20.243 18.278 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 10.142 -19.616 18.657 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 8.664 -19.927 18.549 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 13.882 -12.420 22.812 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 12.932 -12.315 22.864 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 14.233 -11.600 23.157 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 15.551 -15.153 16.804 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 15.790 -15.901 16.256 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 15.282 -15.541 17.636 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 14.488 -15.583 19.260 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 14.635 -16.103 20.050 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 14.485 -14.676 19.566 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 10.941 -18.330 19.770 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 10.255 -17.978 20.337 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 11.464 -17.567 19.524 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 17.293 -23.302 31.166 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 17.412 -22.728 31.923 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 17.948 -23.990 31.281 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 14.564 -12.842 19.991 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 14.725 -12.042 19.490 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 14.367 -12.535 20.876 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 13.298 -26.144 19.607 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 13.215 -25.255 19.953 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 14.188 -26.409 19.838 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 11.557 -15.716 18.667 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 12.149 -15.017 18.943 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 12.016 -16.149 17.948 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 9.873 -23.052 17.783 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 9.828 -22.113 17.962 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 8.985 -23.288 17.513 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 9.611 -14.330 22.617 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.779 -13.857 22.644 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 10.157 -13.820 22.018 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 8.807 -17.907 34.901 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.951 -18.809 34.615 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 8.034 -17.621 34.413 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 13.148 -17.563 17.033 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 13.212 -18.357 17.564 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 13.801 -17.682 16.344 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 9.639 -20.707 34.321 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 10.047 -21.564 34.200 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 9.379 -20.692 35.242 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 13.586 -21.698 31.695 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 12.968 -21.023 31.976 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 13.930 -21.377 30.862 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 13.926 -24.343 32.778 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 14.076 -25.072 32.175 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 13.928 -23.566 32.219 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 14.338 -25.973 30.270 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 14.874 -25.522 29.618 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 13.486 -26.081 29.848 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 15.920 -20.534 30.510 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 16.671 -20.690 29.937 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 15.581 -19.682 30.234 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 12.404 -23.145 34.689 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.637 -23.677 34.479 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 13.083 -23.455 34.090 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 16.408 -24.195 34.265 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 16.172 -24.415 35.167 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 15.625 -24.402 33.756 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 10.585 -25.224 34.394 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 10.796 -25.931 33.783 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 10.473 -25.662 35.238 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 15.266 -10.657 18.603 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 16.199 -10.499 18.747 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 15.002 -9.982 17.978 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 7.483 -10.628 23.163 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 6.836 -11.090 22.630 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 7.838 -11.300 23.746 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 8.353 -12.547 24.968 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 8.019 -13.428 25.140 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 8.575 -12.202 25.832 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 8.031 -24.201 33.560 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.950 -24.323 33.796 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 7.581 -24.951 33.949 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 9.796 -11.865 27.280 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 9.777 -12.290 28.137 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 10.601 -12.183 26.871 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 14.889 -28.460 23.563 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 15.763 -28.072 23.533 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 14.753 -28.675 24.486 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 11.007 -26.673 17.996 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 11.498 -27.303 17.468 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 11.630 -26.377 18.659 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.267 -27.873 33.267 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 9.901 -28.638 33.710 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 11.180 -27.844 33.554 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 12.240 -28.522 34.803 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 13.139 -28.796 34.618 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 11.854 -29.265 35.267 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 14.318 -25.261 36.054 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 13.887 -25.706 36.784 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 13.600 -24.889 35.542 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 12.936 -22.483 37.437 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 12.394 -22.863 36.746 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 13.770 -22.289 37.008 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 9.526 -20.243 37.134 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 10.142 -19.616 37.513 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 8.664 -19.927 37.405 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 9.873 -23.052 36.639 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 9.828 -22.113 36.818 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 8.985 -23.288 36.369 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 13.148 -17.563 35.889 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 13.212 -18.357 36.420 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 13.801 -17.682 35.200 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 11.007 -26.673 36.852 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 11.498 -27.303 36.324 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 11.630 -26.377 37.515 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 7.560 -6.663 5.394 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 8.191 -6.692 6.114 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 8.010 -7.088 4.664 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 10.038 -6.553 12.303 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 9.145 -6.214 12.236 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 9.939 -7.408 12.721 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 10.681 -9.414 7.600 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 10.452 -9.355 6.673 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 10.238 -10.206 7.907 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 10.585 -6.368 15.538 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 10.796 -7.075 14.927 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 10.473 -6.806 16.382 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 15.366 -10.367 14.517 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 16.078 -11.007 14.503 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 15.265 -10.100 13.603 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 15.719 -8.684 16.571 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 15.588 -9.160 15.750 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 15.120 -7.940 16.515 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 8.031 -5.345 14.704 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.950 -5.467 14.940 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 7.581 -6.095 15.093 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 9.252 -7.033 7.595 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 9.697 -7.825 7.897 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 9.718 -6.317 8.026 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 7.833 -9.038 11.063 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 7.168 -9.284 11.706 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 7.390 -8.416 10.486 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 10.267 -9.017 14.411 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 9.901 -9.782 14.854 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 11.180 -8.988 14.698 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 12.240 -9.666 15.947 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 13.139 -9.940 15.762 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 11.854 -10.409 16.411 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 8.223 -3.395 22.648 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 7.775 -2.549 22.630 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 7.662 -3.975 22.133 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 7.560 -6.663 24.250 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 8.191 -6.692 24.970 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 8.010 -7.088 23.520 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 8.835 -5.917 19.674 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 9.309 -5.326 19.089 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 8.117 -5.386 20.021 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 13.298 -7.288 19.607 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 13.215 -6.399 19.953 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 14.188 -7.553 19.838 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 7.869 -7.776 21.575 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 6.944 -7.567 21.445 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 8.323 -7.292 20.885 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 10.309 -9.531 23.750 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 9.532 -9.765 23.242 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 10.840 -10.328 23.758 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 9.146 -9.733 19.553 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 9.585 -9.122 18.962 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 8.512 -9.195 20.027 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 11.007 -7.817 17.996 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 11.498 -8.447 17.468 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 11.630 -7.521 18.659 0.00 0.00 WAT1 END