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 14:32:40 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.424 0.288 -2.043 1.00 10.32 ATOM 2 CB MET 1 3.245 1.002 -1.158 1.00 25.31 ATOM 3 HB1 MET 1 4.017 0.716 -1.866 1.00 37.64 ATOM 4 HB2 MET 1 3.662 0.979 -0.161 1.00 5.43 ATOM 5 CG MET 1 2.831 2.431 -1.467 1.00 4.32 ATOM 6 HG1 MET 1 2.185 2.778 -0.673 1.00 37.64 ATOM 7 HG2 MET 1 2.283 2.443 -2.399 1.00 53.04 ATOM 8 SD MET 1 4.239 3.551 -1.590 1.00 64.13 ATOM 9 CE MET 1 4.190 3.967 -3.332 1.00 35.23 ATOM 10 HE1 MET 1 4.995 4.649 -3.562 1.00 12.00 ATOM 11 HE2 MET 1 3.245 4.435 -3.564 1.00 5.24 ATOM 12 HE3 MET 1 4.301 3.068 -3.920 1.00 54.41 ATOM 13 C MET 1 2.636 -1.393 -1.546 1.00 31.42 ATOM 14 O MET 1 2.884 -2.185 -0.637 1.00 41.13 ATOM 15 N MET 1 1.329 0.000 0.000 1.00 0.00 ATOM 16 HT1 MET 1 1.929 -0.283 0.806 1.00 37.64 ATOM 17 HT2 MET 1 0.529 -0.665 -0.068 1.00 37.64 ATOM 18 HT3 MET 1 0.946 0.951 0.189 1.00 37.64 ATOM 19 CA MET 1 2.093 -0.001 -1.242 1.00 52.33 ATOM 20 N GLY 2 2.818 -1.686 -2.830 1.00 70.20 ATOM 21 HN GLY 2 2.607 -1.010 -3.518 1.00 37.64 ATOM 22 CA GLY 2 3.330 -2.984 -3.230 1.00 10.04 ATOM 23 HA1 GLY 2 2.767 -3.762 -2.729 1.00 37.64 ATOM 24 HA2 GLY 2 4.366 -3.057 -2.933 1.00 3.12 ATOM 25 C GLY 2 3.236 -3.209 -4.726 1.00 3.42 ATOM 26 O GLY 2 2.672 -2.388 -5.450 1.00 44.41 ATOM 27 N HIS 3 3.792 -4.323 -5.191 1.00 54.03 ATOM 28 HN HIS 3 4.251 -4.931 -4.569 1.00 37.64 ATOM 29 CA HIS 3 3.769 -4.653 -6.612 1.00 40.40 ATOM 30 HA HIS 3 3.342 -3.827 -7.167 1.00 54.20 ATOM 31 CB HIS 3 5.190 -4.889 -7.125 1.00 51.40 ATOM 32 HB1 HIS 3 5.170 -4.953 -8.203 1.00 37.64 ATOM 33 HB2 HIS 3 5.571 -5.817 -6.720 1.00 71.20 ATOM 34 CG HIS 3 6.151 -3.805 -6.746 1.00 4.24 ATOM 35 ND1 HIS 3 6.525 -2.795 -7.607 1.00 13.43 ATOM 36 HD1 HIS 3 6.212 -2.684 -8.529 1.00 72.53 ATOM 37 CD2 HIS 3 6.816 -3.576 -5.589 1.00 12.22 ATOM 38 HD2 HIS 3 6.762 -4.174 -4.690 1.00 4.30 ATOM 39 CE1 HIS 3 7.378 -1.992 -6.997 1.00 24.05 ATOM 40 HE1 HIS 3 7.838 -1.114 -7.427 1.00 71.50 ATOM 41 NE2 HIS 3 7.572 -2.444 -5.770 1.00 54.25 ATOM 42 HE2 HIS 3 8.234 -2.094 -5.137 1.00 37.64 ATOM 43 C HIS 3 2.911 -5.888 -6.870 1.00 12.54 ATOM 44 O HIS 3 2.274 -6.006 -7.917 1.00 13.02 ATOM 45 N HIS 4 2.899 -6.805 -5.908 1.00 63.42 ATOM 46 HN HIS 4 3.432 -6.674 -5.094 1.00 37.64 ATOM 47 CA HIS 4 2.119 -8.032 -6.031 1.00 44.23 ATOM 48 HA HIS 4 2.150 -8.355 -7.068 1.00 53.42 ATOM 49 CB HIS 4 2.721 -9.134 -5.159 1.00 45.12 ATOM 50 HB1 HIS 4 2.080 -10.006 -5.185 1.00 37.64 ATOM 51 HB2 HIS 4 2.794 -8.779 -4.142 1.00 10.12 ATOM 52 CG HIS 4 4.088 -9.563 -5.596 1.00 23.44 ATOM 53 ND1 HIS 4 5.241 -9.185 -4.941 1.00 1.43 ATOM 54 HD1 HIS 4 5.287 -8.613 -4.147 1.00 54.34 ATOM 55 CD2 HIS 4 4.483 -10.346 -6.627 1.00 42.32 ATOM 56 HD2 HIS 4 3.839 -10.822 -7.353 1.00 44.11 ATOM 57 CE1 HIS 4 6.286 -9.714 -5.552 1.00 1.24 ATOM 58 HE1 HIS 4 7.318 -9.589 -5.261 1.00 15.54 ATOM 59 NE2 HIS 4 5.853 -10.423 -6.578 1.00 63.51 ATOM 60 HE2 HIS 4 6.412 -10.993 -7.146 1.00 37.64 ATOM 61 C HIS 4 0.665 -7.793 -5.637 1.00 50.53 ATOM 62 O HIS 4 0.376 -6.990 -4.749 1.00 34.42 ATOM 63 N HIS 5 -0.247 -8.493 -6.304 1.00 41.15 ATOM 64 HN HIS 5 0.044 -9.134 -6.996 1.00 37.64 ATOM 65 CA HIS 5 -1.672 -8.356 -6.024 1.00 23.21 ATOM 66 HA HIS 5 -1.853 -7.352 -5.647 1.00 42.02 ATOM 67 CB HIS 5 -2.486 -8.554 -7.303 1.00 31.34 ATOM 68 HB1 HIS 5 -3.484 -8.897 -7.054 1.00 37.64 ATOM 69 HB2 HIS 5 -2.006 -9.297 -7.923 1.00 11.10 ATOM 70 CG HIS 5 -2.634 -7.307 -8.118 1.00 13.43 ATOM 71 ND1 HIS 5 -1.717 -6.277 -8.092 1.00 20.41 ATOM 72 HD1 HIS 5 -0.895 -6.252 -7.560 1.00 3.30 ATOM 73 CD2 HIS 5 -3.600 -6.926 -8.987 1.00 20.24 ATOM 74 HD2 HIS 5 -4.480 -7.493 -9.255 1.00 32.21 ATOM 75 CE1 HIS 5 -2.113 -5.317 -8.908 1.00 62.23 ATOM 76 HE1 HIS 5 -1.592 -4.389 -9.091 1.00 53.42 ATOM 77 NE2 HIS 5 -3.253 -5.686 -9.464 1.00 63.41 ATOM 78 HE2 HIS 5 -3.811 -5.120 -10.037 1.00 37.64 ATOM 79 C HIS 5 -2.115 -9.360 -4.964 1.00 12.44 ATOM 80 O HIS 5 -1.757 -10.537 -5.020 1.00 15.33 ATOM 81 N HIS 6 -2.896 -8.886 -3.997 1.00 64.12 ATOM 82 HN HIS 6 -3.154 -7.936 -3.996 1.00 37.64 ATOM 83 CA HIS 6 -3.388 -9.742 -2.924 1.00 21.13 ATOM 84 HA HIS 6 -3.043 -10.756 -3.094 1.00 5.42 ATOM 85 CB HIS 6 -2.835 -9.275 -1.577 1.00 34.24 ATOM 86 HB1 HIS 6 -1.756 -9.324 -1.607 1.00 37.64 ATOM 87 HB2 HIS 6 -3.195 -9.929 -0.794 1.00 13.31 ATOM 88 CG HIS 6 -3.220 -7.871 -1.226 1.00 1.21 ATOM 89 ND1 HIS 6 -2.572 -6.764 -1.733 1.00 74.23 ATOM 90 HD1 HIS 6 -1.815 -6.779 -2.356 1.00 62.24 ATOM 91 CD2 HIS 6 -4.193 -7.396 -0.414 1.00 54.11 ATOM 92 HD2 HIS 6 -4.899 -7.986 0.153 1.00 32.23 ATOM 93 CE1 HIS 6 -3.130 -5.669 -1.247 1.00 63.44 ATOM 94 HE1 HIS 6 -2.831 -4.655 -1.469 1.00 3.11 ATOM 95 NE2 HIS 6 -4.116 -6.025 -0.445 1.00 33.25 ATOM 96 HE2 HIS 6 -4.752 -5.410 -0.025 1.00 37.64 ATOM 97 C HIS 6 -4.913 -9.746 -2.888 1.00 11.33 ATOM 98 O HIS 6 -5.546 -8.690 -2.852 1.00 0.12 ATOM 99 N HIS 7 -5.498 -10.939 -2.898 1.00 62.54 ATOM 100 HN HIS 7 -4.941 -11.754 -2.911 1.00 37.64 ATOM 101 CA HIS 7 -6.949 -11.080 -2.867 1.00 73.12 ATOM 102 HA HIS 7 -7.386 -10.240 -3.402 1.00 12.35 ATOM 103 CB HIS 7 -7.373 -12.373 -3.564 1.00 64.43 ATOM 104 HB1 HIS 7 -8.418 -12.574 -3.358 1.00 37.64 ATOM 105 HB2 HIS 7 -6.775 -13.186 -3.186 1.00 54.03 ATOM 106 CG HIS 7 -7.202 -12.336 -5.052 1.00 3.32 ATOM 107 ND1 HIS 7 -8.173 -12.764 -5.932 1.00 63.40 ATOM 108 HD1 HIS 7 -9.049 -13.127 -5.685 1.00 41.44 ATOM 109 CD2 HIS 7 -6.165 -11.915 -5.813 1.00 62.14 ATOM 110 HD2 HIS 7 -5.229 -11.511 -5.454 1.00 3.34 ATOM 111 CE1 HIS 7 -7.740 -12.611 -7.171 1.00 2.34 ATOM 112 HE1 HIS 7 -8.287 -12.862 -8.067 1.00 54.12 ATOM 113 NE2 HIS 7 -6.524 -12.097 -7.126 1.00 41.43 ATOM 114 HE2 HIS 7 -5.937 -11.966 -7.900 1.00 37.64 ATOM 115 C HIS 7 -7.465 -11.070 -1.431 1.00 54.25 ATOM 116 O HIS 7 -6.906 -11.730 -0.555 1.00 72.01 ATOM 117 N HIS 8 -8.535 -10.316 -1.197 1.00 42.35 ATOM 118 HN HIS 8 -8.956 -9.830 -1.945 1.00 37.64 ATOM 119 CA HIS 8 -9.126 -10.219 0.132 1.00 32.34 ATOM 120 HA HIS 8 -8.326 -10.136 0.859 1.00 40.02 ATOM 121 CB HIS 8 -10.009 -8.975 0.232 1.00 4.32 ATOM 122 HB1 HIS 8 -10.480 -8.945 1.207 1.00 37.64 ATOM 123 HB2 HIS 8 -10.774 -9.023 -0.529 1.00 33.11 ATOM 124 CG HIS 8 -9.259 -7.692 0.044 1.00 63.14 ATOM 125 ND1 HIS 8 -8.837 -7.241 -1.189 1.00 72.04 ATOM 126 HD1 HIS 8 -8.984 -7.691 -2.046 1.00 42.24 ATOM 127 CD2 HIS 8 -8.857 -6.762 0.941 1.00 45.44 ATOM 128 HD2 HIS 8 -9.019 -6.790 2.009 1.00 14.43 ATOM 129 CE1 HIS 8 -8.207 -6.089 -1.042 1.00 63.55 ATOM 130 HE1 HIS 8 -7.769 -5.502 -1.836 1.00 23.22 ATOM 131 NE2 HIS 8 -8.205 -5.776 0.241 1.00 60.14 ATOM 132 HE2 HIS 8 -7.887 -4.928 0.615 1.00 37.64 ATOM 133 C HIS 8 -9.945 -11.466 0.454 1.00 15.52 ATOM 134 O HIS 8 -10.053 -11.867 1.613 1.00 71.32 ATOM 135 N SER 9 -10.522 -12.072 -0.579 1.00 22.14 ATOM 136 HN SER 9 -10.409 -11.713 -1.489 1.00 37.64 ATOM 137 CA SER 9 -11.335 -13.270 -0.405 1.00 52.21 ATOM 138 HA SER 9 -11.685 -13.316 0.620 1.00 13.34 ATOM 139 CB SER 9 -12.557 -13.220 -1.325 1.00 64.11 ATOM 140 HB1 SER 9 -13.281 -13.953 -0.999 1.00 37.64 ATOM 141 HB2 SER 9 -12.260 -13.436 -2.344 1.00 64.14 ATOM 142 OG SER 9 -13.161 -11.939 -1.301 1.00 53.22 ATOM 143 HG SER 9 -13.714 -11.857 -0.520 1.00 24.54 ATOM 144 C SER 9 -10.519 -14.527 -0.691 1.00 54.25 ATOM 145 O SER 9 -11.055 -15.539 -1.144 1.00 52.01 ATOM 146 N HIS 10 -9.219 -14.454 -0.424 1.00 72.43 ATOM 147 HN HIS 10 -8.835 -13.636 -0.056 1.00 37.64 ATOM 148 CA HIS 10 -8.328 -15.586 -0.652 1.00 62.24 ATOM 149 HA HIS 10 -8.802 -16.474 -0.249 1.00 54.03 ATOM 150 CB HIS 10 -8.098 -15.787 -2.150 1.00 65.35 ATOM 151 HB1 HIS 10 -7.298 -15.153 -2.501 1.00 37.64 ATOM 152 HB2 HIS 10 -9.000 -15.527 -2.686 1.00 71.03 ATOM 153 CG HIS 10 -7.765 -17.200 -2.521 1.00 53.00 ATOM 154 ND1 HIS 10 -6.537 -17.578 -3.022 1.00 12.25 ATOM 155 HD1 HIS 10 -5.777 -16.981 -3.184 1.00 34.21 ATOM 156 CD2 HIS 10 -8.509 -18.329 -2.460 1.00 24.51 ATOM 157 HD2 HIS 10 -9.530 -18.406 -2.113 1.00 43.12 ATOM 158 CE1 HIS 10 -6.540 -18.878 -3.254 1.00 31.21 ATOM 159 HE1 HIS 10 -5.714 -19.452 -3.648 1.00 42.12 ATOM 160 NE2 HIS 10 -7.725 -19.358 -2.921 1.00 23.30 ATOM 161 HE2 HIS 10 -8.027 -20.277 -3.079 1.00 37.64 ATOM 162 C HIS 10 -6.993 -15.377 0.056 1.00 23.50 ATOM 163 O HIS 10 -5.954 -15.175 -0.573 1.00 23.03 ATOM 164 N PRO 11 -7.019 -15.427 1.396 1.00 11.22 ATOM 165 CA PRO 11 -5.819 -15.245 2.219 1.00 75.22 ATOM 166 HA PRO 11 -5.313 -14.320 1.975 1.00 65.33 ATOM 167 CB PRO 11 -6.375 -15.157 3.642 1.00 15.12 ATOM 168 HB1 PRO 11 -6.532 -14.120 3.899 1.00 37.64 ATOM 169 HB2 PRO 11 -5.690 -15.604 4.353 1.00 22.43 ATOM 170 CG PRO 11 -7.668 -15.895 3.590 1.00 34.24 ATOM 171 HG1 PRO 11 -8.344 -15.504 4.336 1.00 37.64 ATOM 172 HG2 PRO 11 -7.496 -16.949 3.753 1.00 21.11 ATOM 173 CD PRO 11 -8.222 -15.664 2.212 1.00 71.25 ATOM 174 HD1 PRO 11 -8.870 -14.800 2.205 1.00 37.64 ATOM 175 HD2 PRO 11 -8.755 -16.541 1.878 1.00 21.35 ATOM 176 C PRO 11 -4.850 -16.416 2.097 1.00 35.31 ATOM 177 O PRO 11 -5.158 -17.534 2.510 1.00 42.40 ATOM 178 N ASN 12 -3.679 -16.152 1.528 1.00 23.22 ATOM 179 HN ASN 12 -3.490 -15.235 1.215 1.00 37.64 ATOM 180 CA ASN 12 -2.664 -17.185 1.352 1.00 33.23 ATOM 181 HA ASN 12 -3.086 -17.952 0.714 1.00 33.32 ATOM 182 CB ASN 12 -1.418 -16.598 0.687 1.00 52.50 ATOM 183 HB1 ASN 12 -0.755 -16.186 1.438 1.00 37.64 ATOM 184 HB2 ASN 12 -1.715 -15.803 0.015 1.00 33.21 ATOM 185 CG ASN 12 -0.649 -17.630 -0.114 1.00 72.24 ATOM 186 OD1 ASN 12 0.251 -18.290 0.405 1.00 62.25 ATOM 187 ND2 ASN 12 -1.002 -17.774 -1.387 1.00 23.15 ATOM 188 HD21 ASN 12 -1.730 -17.219 -1.748 1.00 50.13 ATOM 189 HD22 ASN 12 -0.517 -18.436 -1.922 1.00 35.25 ATOM 190 C ASN 12 -2.291 -17.814 2.691 1.00 21.41 ATOM 191 O ASN 12 -2.724 -17.354 3.746 1.00 14.44 ATOM 192 N GLU 13 -1.484 -18.869 2.638 1.00 24.34 ATOM 193 HN GLU 13 -1.200 -19.220 1.767 1.00 37.64 ATOM 194 CA GLU 13 -1.052 -19.561 3.847 1.00 33.42 ATOM 195 HA GLU 13 -1.926 -19.955 4.334 1.00 32.12 ATOM 196 CB GLU 13 -0.123 -20.724 3.492 1.00 72.11 ATOM 197 HB1 GLU 13 0.743 -20.336 2.973 1.00 37.64 ATOM 198 HB2 GLU 13 -0.654 -21.397 2.833 1.00 33.14 ATOM 199 CG GLU 13 0.355 -21.512 4.700 1.00 71.22 ATOM 200 HG1 GLU 13 -0.503 -21.858 5.255 1.00 37.64 ATOM 201 HG2 GLU 13 0.952 -20.869 5.328 1.00 41.44 ATOM 202 CD GLU 13 1.200 -22.712 4.317 1.00 53.33 ATOM 203 OE1 GLU 13 1.391 -22.939 3.104 1.00 54.15 ATOM 204 OE2 GLU 13 1.669 -23.423 5.229 1.00 24.11 ATOM 205 C GLU 13 -0.344 -18.603 4.800 1.00 43.43 ATOM 206 O GLU 13 -0.615 -18.591 6.000 1.00 60.02 ATOM 207 N GLU 14 0.566 -17.801 4.255 1.00 53.44 ATOM 208 HN GLU 14 0.744 -17.857 3.286 1.00 37.64 ATOM 209 CA GLU 14 1.314 -16.839 5.056 1.00 22.50 ATOM 210 HA GLU 14 1.727 -17.358 5.912 1.00 3.33 ATOM 211 CB GLU 14 2.460 -16.242 4.237 1.00 2.31 ATOM 212 HB1 GLU 14 2.948 -15.466 4.815 1.00 37.64 ATOM 213 HB2 GLU 14 2.051 -15.803 3.339 1.00 34.31 ATOM 214 CG GLU 14 3.511 -17.260 3.828 1.00 43.34 ATOM 215 HG1 GLU 14 4.228 -16.775 3.182 1.00 37.64 ATOM 216 HG2 GLU 14 3.030 -18.063 3.288 1.00 42.51 ATOM 217 CD GLU 14 4.249 -17.847 5.015 1.00 0.43 ATOM 218 OE1 GLU 14 5.132 -17.155 5.565 1.00 63.32 ATOM 219 OE2 GLU 14 3.944 -18.996 5.395 1.00 32.22 ATOM 220 C GLU 14 0.402 -15.726 5.563 1.00 70.12 ATOM 221 O GLU 14 0.620 -15.172 6.640 1.00 64.32 ATOM 222 N ALA 15 -0.621 -15.404 4.778 1.00 44.34 ATOM 223 HN ALA 15 -0.744 -15.870 3.919 1.00 37.64 ATOM 224 CA ALA 15 -1.567 -14.358 5.146 1.00 20.24 ATOM 225 HA ALA 15 -1.007 -13.482 5.453 1.00 1.42 ATOM 226 CB ALA 15 -2.417 -13.969 3.946 1.00 14.23 ATOM 227 HB1 ALA 15 -1.772 -13.679 3.130 1.00 61.34 ATOM 228 HB2 ALA 15 -3.057 -13.138 4.208 1.00 20.05 ATOM 229 HB3 ALA 15 -3.024 -14.809 3.642 1.00 41.43 ATOM 230 C ALA 15 -2.454 -14.804 6.304 1.00 73.24 ATOM 231 O ALA 15 -2.652 -14.064 7.267 1.00 31.24 ATOM 232 N ARG 16 -2.987 -16.018 6.201 1.00 3.44 ATOM 233 HN ARG 16 -2.797 -16.560 5.401 1.00 37.64 ATOM 234 CA ARG 16 -3.855 -16.561 7.239 1.00 2.10 ATOM 235 HA ARG 16 -4.601 -15.815 7.485 1.00 41.14 ATOM 236 CB ARG 16 -4.568 -17.816 6.732 1.00 40.42 ATOM 237 HB1 ARG 16 -5.098 -17.567 5.823 1.00 37.64 ATOM 238 HB2 ARG 16 -5.284 -18.135 7.478 1.00 52.13 ATOM 239 CG ARG 16 -3.628 -18.973 6.437 1.00 72.20 ATOM 240 HG1 ARG 16 -3.089 -19.241 7.329 1.00 37.64 ATOM 241 HG2 ARG 16 -2.944 -18.678 5.677 1.00 5.53 ATOM 242 CD ARG 16 -4.388 -20.200 5.958 1.00 15.00 ATOM 243 HD1 ARG 16 -4.880 -19.947 5.028 1.00 37.64 ATOM 244 HD2 ARG 16 -5.130 -20.468 6.699 1.00 74.51 ATOM 245 NE ARG 16 -3.504 -21.342 5.742 1.00 73.02 ATOM 246 HE ARG 16 -2.599 -21.304 6.125 1.00 73.32 ATOM 247 CZ ARG 16 -3.851 -22.419 5.045 1.00 14.44 ATOM 248 NH1 ARG 16 -5.057 -22.499 4.500 1.00 33.33 ATOM 249 HH11 ARG 16 -5.726 -21.767 4.599 1.00 52.01 ATOM 250 HH12 ARG 16 -5.307 -23.314 3.973 1.00 3.43 ATOM 251 NH2 ARG 16 -2.991 -23.417 4.893 1.00 70.24 ATOM 252 HH21 ARG 16 -2.079 -23.364 5.303 1.00 40.12 ATOM 253 HH22 ARG 16 -3.250 -24.230 4.367 1.00 51.14 ATOM 254 C ARG 16 -3.057 -16.890 8.498 1.00 54.23 ATOM 255 O ARG 16 -3.546 -16.725 9.616 1.00 34.22 ATOM 256 N LEU 17 -1.828 -17.356 8.308 1.00 41.31 ATOM 257 HN LEU 17 -1.489 -17.480 7.390 1.00 37.64 ATOM 258 CA LEU 17 -0.962 -17.709 9.428 1.00 51.44 ATOM 259 HA LEU 17 -1.505 -18.383 10.078 1.00 71.34 ATOM 260 CB LEU 17 0.294 -18.421 8.922 1.00 34.11 ATOM 261 HB1 LEU 17 0.661 -17.882 8.058 1.00 37.64 ATOM 262 HB2 LEU 17 0.004 -19.414 8.605 1.00 14.10 ATOM 263 CG LEU 17 1.441 -18.550 9.924 1.00 24.42 ATOM 264 HG LEU 17 1.831 -17.569 10.154 1.00 43.13 ATOM 265 CD1 LEU 17 0.951 -19.178 11.220 1.00 52.14 ATOM 266 HD11 LEU 17 0.114 -18.647 11.625 1.00 63.14 ATOM 267 HD12 LEU 17 1.752 -19.153 11.937 1.00 2.04 ATOM 268 HD13 LEU 17 0.666 -20.207 11.040 1.00 42.42 ATOM 269 CD2 LEU 17 2.578 -19.369 9.330 1.00 4.20 ATOM 270 HD21 LEU 17 2.225 -20.361 9.087 1.00 73.24 ATOM 271 HD22 LEU 17 3.387 -19.441 10.045 1.00 22.53 ATOM 272 HD23 LEU 17 2.940 -18.887 8.432 1.00 42.05 ATOM 273 C LEU 17 -0.571 -16.469 10.225 1.00 3.32 ATOM 274 O LEU 17 -0.509 -16.503 11.454 1.00 21.03 ATOM 275 N ASP 18 -0.310 -15.375 9.518 1.00 3.10 ATOM 276 HN ASP 18 -0.357 -15.409 8.533 1.00 37.64 ATOM 277 CA ASP 18 0.072 -14.122 10.160 1.00 63.51 ATOM 278 HA ASP 18 1.008 -14.297 10.675 1.00 22.12 ATOM 279 CB ASP 18 0.261 -13.024 9.112 1.00 22.41 ATOM 280 HB1 ASP 18 -0.700 -12.631 8.807 1.00 37.64 ATOM 281 HB2 ASP 18 0.758 -13.440 8.252 1.00 75.32 ATOM 282 CG ASP 18 1.111 -11.877 9.622 1.00 34.14 ATOM 283 OD1 ASP 18 1.955 -12.114 10.512 1.00 44.55 ATOM 284 OD2 ASP 18 0.931 -10.743 9.132 1.00 3.11 ATOM 285 C ASP 18 -0.976 -13.693 11.181 1.00 35.32 ATOM 286 O ASP 18 -0.656 -13.049 12.181 1.00 73.51 ATOM 287 N ILE 19 -2.229 -14.053 10.922 1.00 30.12 ATOM 288 HN ILE 19 -2.434 -14.555 10.103 1.00 37.64 ATOM 289 CA ILE 19 -3.324 -13.705 11.819 1.00 72.12 ATOM 290 HA ILE 19 -3.293 -12.635 11.994 1.00 12.40 ATOM 291 CB ILE 19 -4.691 -14.053 11.200 1.00 41.44 ATOM 292 HB ILE 19 -4.724 -15.118 11.029 1.00 64.40 ATOM 293 CG1 ILE 19 -4.871 -13.324 9.866 1.00 12.13 ATOM 294 HG11 ILE 19 -4.003 -13.472 9.244 1.00 37.64 ATOM 295 HG12 ILE 19 -4.993 -12.265 10.046 1.00 13.14 ATOM 296 CG2 ILE 19 -5.814 -13.695 12.161 1.00 13.11 ATOM 297 HG21 ILE 19 -5.784 -14.352 13.011 1.00 72.10 ATOM 298 HG22 ILE 19 -6.772 -13.809 11.676 1.00 44.20 ATOM 299 HG23 ILE 19 -5.703 -12.672 12.494 1.00 62.23 ATOM 300 CD1 ILE 19 -6.070 -13.798 9.076 1.00 74.32 ATOM 301 HD11 ILE 19 -6.042 -13.361 8.089 1.00 73.04 ATOM 302 HD12 ILE 19 -6.977 -13.492 9.574 1.00 70.00 ATOM 303 HD13 ILE 19 -6.050 -14.876 8.991 1.00 23.41 ATOM 304 C ILE 19 -3.188 -14.423 13.157 1.00 0.24 ATOM 305 O ILE 19 -3.289 -13.805 14.219 1.00 71.55 ATOM 306 N LEU 20 -2.956 -15.730 13.101 1.00 53.43 ATOM 307 HN LEU 20 -2.888 -16.171 12.220 1.00 37.64 ATOM 308 CA LEU 20 -2.804 -16.533 14.309 1.00 43.30 ATOM 309 HA LEU 20 -3.706 -16.430 14.898 1.00 51.34 ATOM 310 CB LEU 20 -2.614 -18.006 13.945 1.00 20.30 ATOM 311 HB1 LEU 20 -2.238 -18.524 14.822 1.00 37.64 ATOM 312 HB2 LEU 20 -1.842 -18.054 13.186 1.00 1.31 ATOM 313 CG LEU 20 -3.859 -18.740 13.444 1.00 43.40 ATOM 314 HG LEU 20 -4.683 -18.054 13.392 1.00 14.13 ATOM 315 CD1 LEU 20 -3.626 -19.294 12.047 1.00 4.11 ATOM 316 HD11 LEU 20 -3.380 -18.485 11.373 1.00 35.14 ATOM 317 HD12 LEU 20 -4.523 -19.787 11.698 1.00 24.15 ATOM 318 HD13 LEU 20 -2.811 -20.005 12.067 1.00 3.01 ATOM 319 CD2 LEU 20 -4.244 -19.855 14.405 1.00 43.10 ATOM 320 HD21 LEU 20 -3.440 -20.575 14.471 1.00 74.11 ATOM 321 HD22 LEU 20 -5.139 -20.348 14.050 1.00 5.21 ATOM 322 HD23 LEU 20 -4.434 -19.439 15.385 1.00 22.53 ATOM 323 C LEU 20 -1.621 -16.046 15.140 1.00 31.25 ATOM 324 O LEU 20 -1.685 -16.011 16.370 1.00 43.15 ATOM 325 N LYS 21 -0.543 -15.670 14.462 1.00 44.51 ATOM 326 HN LYS 21 -0.540 -15.735 13.478 1.00 37.64 ATOM 327 CA LYS 21 0.654 -15.181 15.136 1.00 23.13 ATOM 328 HA LYS 21 1.011 -15.962 15.796 1.00 33.03 ATOM 329 CB LYS 21 1.743 -14.851 14.112 1.00 32.15 ATOM 330 HB1 LYS 21 2.488 -14.212 14.572 1.00 37.64 ATOM 331 HB2 LYS 21 1.291 -14.319 13.285 1.00 23.15 ATOM 332 CG LYS 21 2.456 -16.076 13.567 1.00 71.13 ATOM 333 HG1 LYS 21 1.722 -16.761 13.165 1.00 37.64 ATOM 334 HG2 LYS 21 2.987 -16.553 14.380 1.00 13.23 ATOM 335 CD LYS 21 3.439 -15.706 12.468 1.00 33.15 ATOM 336 HD1 LYS 21 4.002 -14.829 12.765 1.00 37.64 ATOM 337 HD2 LYS 21 2.888 -15.490 11.565 1.00 72.00 ATOM 338 CE LYS 21 4.413 -16.840 12.187 1.00 11.22 ATOM 339 HE1 LYS 21 4.821 -16.701 11.196 1.00 37.64 ATOM 340 HE2 LYS 21 3.892 -17.788 12.225 1.00 3.33 ATOM 341 NZ LYS 21 5.535 -16.862 13.165 1.00 25.05 ATOM 342 HZ1 LYS 21 5.170 -16.991 14.132 1.00 71.03 ATOM 343 HZ2 LYS 21 6.070 -15.970 13.124 1.00 75.04 ATOM 344 HZ3 LYS 21 6.181 -17.647 12.945 1.00 22.41 ATOM 345 C LYS 21 0.340 -13.947 15.976 1.00 44.21 ATOM 346 O LYS 21 0.587 -13.926 17.182 1.00 22.31 ATOM 347 N ILE 22 -0.206 -12.921 15.331 1.00 63.50 ATOM 348 HN ILE 22 -0.407 -13.018 14.372 1.00 37.64 ATOM 349 CA ILE 22 -0.555 -11.685 16.020 1.00 74.44 ATOM 350 HA ILE 22 0.358 -11.206 16.334 1.00 32.40 ATOM 351 CB ILE 22 -1.311 -10.718 15.090 1.00 12.51 ATOM 352 HB ILE 22 -2.227 -11.202 14.774 1.00 33.44 ATOM 353 CG1 ILE 22 -0.462 -10.390 13.860 1.00 12.52 ATOM 354 HG11 ILE 22 0.042 -11.266 13.499 1.00 37.64 ATOM 355 HG12 ILE 22 0.286 -9.654 14.125 1.00 25.13 ATOM 356 CG2 ILE 22 -1.683 -9.446 15.838 1.00 23.15 ATOM 357 HG21 ILE 22 -0.804 -9.025 16.307 1.00 42.21 ATOM 358 HG22 ILE 22 -2.425 -9.663 16.591 1.00 34.33 ATOM 359 HG23 ILE 22 -2.095 -8.723 15.147 1.00 3.24 ATOM 360 CD1 ILE 22 -1.262 -9.824 12.708 1.00 44.35 ATOM 361 HD11 ILE 22 -1.707 -8.886 13.003 1.00 31.32 ATOM 362 HD12 ILE 22 -2.040 -10.521 12.431 1.00 70.41 ATOM 363 HD13 ILE 22 -0.609 -9.661 11.863 1.00 52.41 ATOM 364 C ILE 22 -1.413 -11.965 17.249 1.00 4.25 ATOM 365 O ILE 22 -1.194 -11.389 18.316 1.00 50.11 ATOM 366 N HIS 23 -2.388 -12.854 17.094 1.00 34.04 ATOM 367 HN HIS 23 -2.520 -13.283 16.215 1.00 37.64 ATOM 368 CA HIS 23 -3.278 -13.212 18.193 1.00 21.54 ATOM 369 HA HIS 23 -3.642 -12.297 18.649 1.00 61.31 ATOM 370 CB HIS 23 -4.468 -14.019 17.672 1.00 2.11 ATOM 371 HB1 HIS 23 -4.948 -14.540 18.493 1.00 37.64 ATOM 372 HB2 HIS 23 -4.109 -14.742 16.956 1.00 21.30 ATOM 373 CG HIS 23 -5.510 -13.181 16.998 1.00 40.11 ATOM 374 ND1 HIS 23 -6.062 -12.058 17.576 1.00 14.51 ATOM 375 HD1 HIS 23 -5.838 -11.701 18.461 1.00 21.41 ATOM 376 CD2 HIS 23 -6.099 -13.307 15.786 1.00 53.21 ATOM 377 HD2 HIS 23 -5.914 -14.087 15.067 1.00 64.53 ATOM 378 CE1 HIS 23 -6.948 -11.530 16.750 1.00 43.22 ATOM 379 HE1 HIS 23 -7.537 -10.644 16.937 1.00 54.31 ATOM 380 NE2 HIS 23 -6.989 -12.269 15.656 1.00 42.32 ATOM 381 HE2 HIS 23 -7.492 -12.049 14.844 1.00 37.64 ATOM 382 C HIS 23 -2.532 -14.013 19.257 1.00 72.23 ATOM 383 O HIS 23 -2.912 -14.013 20.428 1.00 71.14 ATOM 384 N SER 24 -1.470 -14.695 18.841 1.00 61.14 ATOM 385 HN SER 24 -1.230 -14.689 17.896 1.00 37.64 ATOM 386 CA SER 24 -0.674 -15.504 19.756 1.00 2.34 ATOM 387 HA SER 24 -1.347 -16.063 20.395 1.00 42.15 ATOM 388 CB SER 24 0.191 -16.495 18.975 1.00 2.41 ATOM 389 HB1 SER 24 -0.300 -16.774 18.061 1.00 37.64 ATOM 390 HB2 SER 24 0.338 -17.367 19.567 1.00 11.33 ATOM 391 OG SER 24 1.453 -15.932 18.660 1.00 40.12 ATOM 392 HG SER 24 1.921 -16.512 18.055 1.00 3.12 ATOM 393 C SER 24 0.210 -14.621 20.633 1.00 54.02 ATOM 394 O SER 24 0.448 -14.928 21.801 1.00 65.12 ATOM 395 N ARG 25 0.692 -13.523 20.060 1.00 12.00 ATOM 396 HN ARG 25 0.486 -13.335 19.115 1.00 37.64 ATOM 397 CA ARG 25 1.550 -12.596 20.787 1.00 12.45 ATOM 398 HA ARG 25 2.455 -13.124 21.059 1.00 60.23 ATOM 399 CB ARG 25 1.902 -11.395 19.907 1.00 74.22 ATOM 400 HB1 ARG 25 2.052 -10.523 20.534 1.00 37.64 ATOM 401 HB2 ARG 25 1.080 -11.188 19.236 1.00 51.44 ATOM 402 CG ARG 25 3.173 -11.586 19.096 1.00 72.42 ATOM 403 HG1 ARG 25 3.870 -12.199 19.648 1.00 37.64 ATOM 404 HG2 ARG 25 3.615 -10.615 18.922 1.00 42.51 ATOM 405 CD ARG 25 2.883 -12.234 17.751 1.00 43.44 ATOM 406 HD1 ARG 25 2.010 -11.778 17.318 1.00 37.64 ATOM 407 HD2 ARG 25 2.696 -13.283 17.908 1.00 75.22 ATOM 408 NE ARG 25 3.997 -12.080 16.818 1.00 13.32 ATOM 409 HE ARG 25 3.881 -11.443 16.079 1.00 50.24 ATOM 410 CZ ARG 25 5.140 -12.749 16.921 1.00 15.03 ATOM 411 NH1 ARG 25 5.318 -13.614 17.910 1.00 3.44 ATOM 412 HH11 ARG 25 4.615 -13.793 18.587 1.00 22.12 ATOM 413 HH12 ARG 25 6.189 -14.106 17.981 1.00 23.21 ATOM 414 NH2 ARG 25 6.106 -12.554 16.033 1.00 22.35 ATOM 415 HH21 ARG 25 5.977 -11.902 15.283 1.00 20.53 ATOM 416 HH22 ARG 25 6.969 -13.057 16.109 1.00 72.20 ATOM 417 C ARG 25 0.872 -12.119 22.069 1.00 40.23 ATOM 418 O ARG 25 1.538 -11.751 23.037 1.00 60.31 ATOM 419 N LYS 26 -0.457 -12.127 22.067 1.00 3.12 ATOM 420 HN LYS 26 -0.949 -12.384 21.256 1.00 37.64 ATOM 421 CA LYS 26 -1.226 -11.696 23.228 1.00 32.45 ATOM 422 HA LYS 26 -0.683 -10.902 23.730 1.00 35.52 ATOM 423 CB LYS 26 -2.592 -11.161 22.791 1.00 24.03 ATOM 424 HB1 LYS 26 -3.265 -11.137 23.643 1.00 37.64 ATOM 425 HB2 LYS 26 -3.003 -11.832 22.049 1.00 63.24 ATOM 426 CG LYS 26 -2.533 -9.771 22.182 1.00 71.14 ATOM 427 HG1 LYS 26 -3.384 -9.642 21.526 1.00 37.64 ATOM 428 HG2 LYS 26 -1.623 -9.671 21.602 1.00 25.54 ATOM 429 CD LYS 26 -2.549 -8.692 23.251 1.00 3.11 ATOM 430 HD1 LYS 26 -2.117 -7.793 22.837 1.00 37.64 ATOM 431 HD2 LYS 26 -1.960 -9.010 24.103 1.00 11.20 ATOM 432 CE LYS 26 -3.965 -8.383 23.710 1.00 14.33 ATOM 433 HE1 LYS 26 -4.547 -9.297 23.732 1.00 37.64 ATOM 434 HE2 LYS 26 -4.412 -7.692 23.012 1.00 44.24 ATOM 435 NZ LYS 26 -3.988 -7.775 25.070 1.00 63.13 ATOM 436 HZ1 LYS 26 -3.566 -8.426 25.765 1.00 24.43 ATOM 437 HZ2 LYS 26 -4.969 -7.577 25.353 1.00 14.23 ATOM 438 HZ3 LYS 26 -3.453 -6.881 25.076 1.00 3.04 ATOM 439 C LYS 26 -1.411 -12.845 24.215 1.00 61.10 ATOM 440 O LYS 26 -1.582 -12.624 25.414 1.00 64.54 ATOM 441 N MET 27 -1.374 -14.071 23.703 1.00 51.23 ATOM 442 HN MET 27 -1.267 -14.198 22.742 1.00 37.64 ATOM 443 CA MET 27 -1.535 -15.254 24.540 1.00 1.21 ATOM 444 HA MET 27 -1.907 -14.957 25.513 1.00 44.13 ATOM 445 CB MET 27 -2.548 -16.214 23.915 1.00 54.15 ATOM 446 HB1 MET 27 -2.672 -17.066 24.568 1.00 37.64 ATOM 447 HB2 MET 27 -2.167 -16.555 22.961 1.00 21.14 ATOM 448 CG MET 27 -3.913 -15.588 23.678 1.00 11.41 ATOM 449 HG1 MET 27 -3.891 -15.060 22.736 1.00 37.64 ATOM 450 HG2 MET 27 -4.132 -14.889 24.475 1.00 33.42 ATOM 451 SD MET 27 -5.238 -16.810 23.621 1.00 43.44 ATOM 452 CE MET 27 -4.538 -18.015 22.495 1.00 10.42 ATOM 453 HE1 MET 27 -5.283 -18.753 22.251 1.00 53.33 ATOM 454 HE2 MET 27 -3.695 -18.502 22.963 1.00 42.44 ATOM 455 HE3 MET 27 -4.213 -17.519 21.593 1.00 73.04 ATOM 456 C MET 27 -0.200 -15.964 24.739 1.00 22.24 ATOM 457 O MET 27 0.845 -15.473 24.313 1.00 35.41 ATOM 458 N ASN 28 -0.242 -17.122 25.390 1.00 31.33 ATOM 459 HN ASN 28 -1.097 -17.465 25.735 1.00 37.64 ATOM 460 CA ASN 28 0.965 -17.900 25.647 1.00 50.54 ATOM 461 HA ASN 28 1.834 -17.265 25.499 1.00 72.12 ATOM 462 CB ASN 28 0.974 -18.404 27.091 1.00 64.41 ATOM 463 HB1 ASN 28 1.763 -19.131 27.218 1.00 37.64 ATOM 464 HB2 ASN 28 0.022 -18.866 27.299 1.00 32.11 ATOM 465 CG ASN 28 1.192 -17.287 28.093 1.00 54.33 ATOM 466 OD1 ASN 28 1.812 -16.270 27.780 1.00 35.04 ATOM 467 ND2 ASN 28 0.681 -17.471 29.304 1.00 33.15 ATOM 468 HD21 ASN 28 0.192 -18.302 29.489 1.00 30.11 ATOM 469 HD22 ASN 28 0.813 -16.764 29.970 1.00 33.15 ATOM 470 C ASN 28 1.068 -19.078 24.683 1.00 32.24 ATOM 471 O ASN 28 0.056 -19.637 24.258 1.00 53.42 ATOM 472 N LEU 29 2.296 -19.452 24.344 1.00 25.20 ATOM 473 HN LEU 29 3.072 -18.963 24.706 1.00 37.64 ATOM 474 CA LEU 29 2.533 -20.565 23.431 1.00 33.43 ATOM 475 HA LEU 29 1.623 -21.133 23.325 1.00 64.32 ATOM 476 CB LEU 29 2.941 -20.043 22.053 1.00 52.32 ATOM 477 HB1 LEU 29 2.902 -20.873 21.369 1.00 37.64 ATOM 478 HB2 LEU 29 3.967 -19.694 22.110 1.00 20.22 ATOM 479 CG LEU 29 2.088 -18.907 21.486 1.00 33.40 ATOM 480 HG LEU 29 2.105 -18.073 22.172 1.00 71.10 ATOM 481 CD1 LEU 29 2.651 -18.428 20.157 1.00 23.42 ATOM 482 HD11 LEU 29 3.711 -18.646 20.098 1.00 22.02 ATOM 483 HD12 LEU 29 2.521 -17.366 20.094 1.00 24.22 ATOM 484 HD13 LEU 29 2.144 -18.904 19.326 1.00 72.35 ATOM 485 CD2 LEU 29 0.643 -19.356 21.324 1.00 54.11 ATOM 486 HD21 LEU 29 0.343 -20.010 22.116 1.00 24.02 ATOM 487 HD22 LEU 29 0.517 -19.878 20.385 1.00 43.53 ATOM 488 HD23 LEU 29 0.003 -18.487 21.332 1.00 12.23 ATOM 489 C LEU 29 3.612 -21.496 23.975 1.00 4.41 ATOM 490 O LEU 29 4.536 -21.058 24.662 1.00 22.52 ATOM 491 N THR 30 3.491 -22.782 23.661 1.00 2.13 ATOM 492 HN THR 30 2.722 -23.072 23.115 1.00 37.64 ATOM 493 CA THR 30 4.457 -23.774 24.117 1.00 14.00 ATOM 494 HA THR 30 4.468 -23.763 25.199 1.00 1.53 ATOM 495 CB THR 30 4.065 -25.191 23.657 1.00 25.11 ATOM 496 HB THR 30 3.082 -25.415 24.037 1.00 42.02 ATOM 497 OG1 THR 30 4.996 -26.148 24.175 1.00 31.50 ATOM 498 HG1 THR 30 4.775 -26.352 25.087 1.00 65.05 ATOM 499 CG2 THR 30 4.033 -25.278 22.139 1.00 44.43 ATOM 500 HG21 THR 30 3.208 -24.696 21.770 1.00 32.13 ATOM 501 HG22 THR 30 3.891 -26.309 21.850 1.00 52.13 ATOM 502 HG23 THR 30 4.954 -24.919 21.712 1.00 42.44 ATOM 503 C THR 30 5.857 -23.454 23.606 1.00 74.44 ATOM 504 O THR 30 6.026 -22.630 22.707 1.00 62.11 ATOM 505 N ARG 31 6.857 -24.112 24.183 1.00 51.02 ATOM 506 HN ARG 31 6.657 -24.772 24.890 1.00 37.64 ATOM 507 CA ARG 31 8.243 -23.897 23.785 1.00 51.10 ATOM 508 HA ARG 31 8.394 -22.834 23.625 1.00 32.45 ATOM 509 CB ARG 31 9.192 -24.371 24.887 1.00 33.42 ATOM 510 HB1 ARG 31 10.196 -24.455 24.485 1.00 37.64 ATOM 511 HB2 ARG 31 8.869 -25.347 25.225 1.00 32.45 ATOM 512 CG ARG 31 9.248 -23.438 26.086 1.00 71.52 ATOM 513 HG1 ARG 31 8.244 -23.269 26.451 1.00 37.64 ATOM 514 HG2 ARG 31 9.682 -22.499 25.776 1.00 50.14 ATOM 515 CD ARG 31 10.094 -24.022 27.206 1.00 4.44 ATOM 516 HD1 ARG 31 10.480 -23.207 27.800 1.00 37.64 ATOM 517 HD2 ARG 31 10.925 -24.575 26.783 1.00 73.53 ATOM 518 NE ARG 31 9.320 -24.906 28.074 1.00 44.32 ATOM 519 HE ARG 31 8.350 -24.978 27.914 1.00 4.33 ATOM 520 CZ ARG 31 9.852 -25.613 29.064 1.00 20.15 ATOM 521 NH1 ARG 31 11.152 -25.540 29.312 1.00 5.02 ATOM 522 HH11 ARG 31 11.754 -24.958 28.768 1.00 52.44 ATOM 523 HH12 ARG 31 11.544 -26.078 30.061 1.00 40.24 ATOM 524 NH2 ARG 31 9.082 -26.395 29.810 1.00 21.41 ATOM 525 HH21 ARG 31 8.098 -26.454 29.629 1.00 43.15 ATOM 526 HH22 ARG 31 9.481 -26.930 30.558 1.00 20.42 ATOM 527 C ARG 31 8.554 -24.627 22.482 1.00 61.31 ATOM 528 O ARG 31 9.253 -25.640 22.477 1.00 10.34 ATOM 529 N GLY 32 8.029 -24.106 21.377 1.00 2.10 ATOM 530 HN GLY 32 7.513 -23.274 21.431 1.00 37.64 ATOM 531 CA GLY 32 8.261 -24.721 20.083 1.00 24.35 ATOM 532 HA1 GLY 32 8.795 -25.657 20.192 1.00 37.64 ATOM 533 HA2 GLY 32 8.866 -24.051 19.491 1.00 34.30 ATOM 534 C GLY 32 6.974 -24.992 19.331 1.00 71.13 ATOM 535 O GLY 32 6.868 -25.981 18.604 1.00 2.23 ATOM 536 N ILE 33 5.992 -24.114 19.505 1.00 5.42 ATOM 537 HN ILE 33 6.133 -23.330 20.074 1.00 37.64 ATOM 538 CA ILE 33 4.706 -24.264 18.837 1.00 52.31 ATOM 539 HA ILE 33 4.342 -25.267 19.040 1.00 21.42 ATOM 540 CB ILE 33 3.671 -23.258 19.375 1.00 2.30 ATOM 541 HB ILE 33 3.661 -23.310 20.441 1.00 61.02 ATOM 542 CG1 ILE 33 2.278 -23.588 18.836 1.00 71.30 ATOM 543 HG11 ILE 33 2.012 -24.588 19.134 1.00 37.64 ATOM 544 HG12 ILE 33 2.271 -23.521 17.760 1.00 71.24 ATOM 545 CG2 ILE 33 4.068 -21.838 18.999 1.00 54.12 ATOM 546 HG21 ILE 33 5.083 -21.643 19.313 1.00 21.01 ATOM 547 HG22 ILE 33 3.414 -21.138 19.484 1.00 40.55 ATOM 548 HG23 ILE 33 3.994 -21.697 17.930 1.00 32.12 ATOM 549 CD1 ILE 33 1.197 -22.662 19.347 1.00 51.32 ATOM 550 HD11 ILE 33 1.218 -22.634 20.427 1.00 41.32 ATOM 551 HD12 ILE 33 0.247 -23.033 19.018 1.00 63.15 ATOM 552 HD13 ILE 33 1.348 -21.668 18.954 1.00 13.13 ATOM 553 C ILE 33 4.844 -24.077 17.330 1.00 40.52 ATOM 554 O ILE 33 5.634 -23.256 16.866 1.00 4.21 ATOM 555 N ASN 34 4.068 -24.843 16.570 1.00 12.33 ATOM 556 HN ASN 34 3.449 -25.483 16.991 1.00 37.64 ATOM 557 CA ASN 34 4.103 -24.761 15.115 1.00 55.44 ATOM 558 HA ASN 34 4.840 -24.017 14.825 1.00 63.21 ATOM 559 CB ASN 34 4.502 -26.111 14.516 1.00 12.02 ATOM 560 HB1 ASN 34 3.641 -26.626 14.134 1.00 37.64 ATOM 561 HB2 ASN 34 4.954 -26.723 15.285 1.00 31.33 ATOM 562 CG ASN 34 5.512 -25.970 13.394 1.00 74.04 ATOM 563 OD1 ASN 34 6.661 -25.592 13.621 1.00 12.24 ATOM 564 ND2 ASN 34 5.086 -26.274 12.173 1.00 33.32 ATOM 565 HD21 ASN 34 4.157 -26.571 12.047 1.00 52.44 ATOM 566 HD22 ASN 34 5.725 -26.189 11.435 1.00 50.30 ATOM 567 C ASN 34 2.748 -24.327 14.562 1.00 61.32 ATOM 568 O ASN 34 1.846 -25.147 14.385 1.00 30.24 ATOM 569 N LEU 35 2.613 -23.034 14.290 1.00 71.14 ATOM 570 HN LEU 35 3.376 -22.425 14.442 1.00 37.64 ATOM 571 CA LEU 35 1.369 -22.491 13.756 1.00 52.33 ATOM 572 HA LEU 35 0.550 -22.930 14.292 1.00 74.34 ATOM 573 CB LEU 35 1.318 -20.977 13.967 1.00 4.53 ATOM 574 HB1 LEU 35 0.371 -20.606 13.593 1.00 37.64 ATOM 575 HB2 LEU 35 2.110 -20.550 13.364 1.00 23.53 ATOM 576 CG LEU 35 1.508 -20.493 15.405 1.00 20.15 ATOM 577 HG LEU 35 2.214 -21.133 15.916 1.00 2.30 ATOM 578 CD1 LEU 35 2.076 -19.083 15.424 1.00 45.41 ATOM 579 HD11 LEU 35 3.024 -19.067 14.905 1.00 54.44 ATOM 580 HD12 LEU 35 2.226 -18.766 16.447 1.00 72.32 ATOM 581 HD13 LEU 35 1.389 -18.405 14.936 1.00 63.35 ATOM 582 CD2 LEU 35 0.191 -20.549 16.165 1.00 34.11 ATOM 583 HD21 LEU 35 -0.533 -19.900 15.691 1.00 53.00 ATOM 584 HD22 LEU 35 0.347 -20.227 17.186 1.00 61.10 ATOM 585 HD23 LEU 35 -0.184 -21.563 16.166 1.00 73.51 ATOM 586 C LEU 35 1.226 -22.813 12.272 1.00 61.32 ATOM 587 O LEU 35 0.115 -22.905 11.750 1.00 13.04 ATOM 588 N ARG 36 2.358 -22.986 11.598 1.00 63.53 ATOM 589 HN ARG 36 3.223 -22.880 12.057 1.00 37.64 ATOM 590 CA ARG 36 2.359 -23.300 10.174 1.00 65.11 ATOM 591 HA ARG 36 1.923 -22.464 9.647 1.00 25.23 ATOM 592 CB ARG 36 3.791 -23.508 9.677 1.00 43.42 ATOM 593 HB1 ARG 36 4.218 -24.365 10.182 1.00 37.64 ATOM 594 HB2 ARG 36 4.371 -22.630 9.929 1.00 70.11 ATOM 595 CG ARG 36 3.889 -23.732 8.177 1.00 53.54 ATOM 596 HG1 ARG 36 3.476 -22.873 7.668 1.00 37.64 ATOM 597 HG2 ARG 36 3.328 -24.614 7.909 1.00 52.53 ATOM 598 CD ARG 36 5.331 -23.918 7.734 1.00 65.32 ATOM 599 HD1 ARG 36 5.966 -23.212 8.255 1.00 37.64 ATOM 600 HD2 ARG 36 5.386 -23.725 6.672 1.00 72.02 ATOM 601 NE ARG 36 5.812 -25.273 7.991 1.00 72.44 ATOM 602 HE ARG 36 5.208 -25.897 8.458 1.00 72.25 ATOM 603 CZ ARG 36 7.015 -25.707 7.631 1.00 32.12 ATOM 604 NH1 ARG 36 7.855 -24.896 7.003 1.00 22.43 ATOM 605 HH11 ARG 36 7.605 -23.953 6.790 1.00 5.12 ATOM 606 HH12 ARG 36 8.761 -25.231 6.735 1.00 71.12 ATOM 607 NH2 ARG 36 7.379 -26.954 7.900 1.00 24.33 ATOM 608 HH21 ARG 36 6.749 -27.571 8.375 1.00 74.33 ATOM 609 HH22 ARG 36 8.286 -27.284 7.629 1.00 13.23 ATOM 610 C ARG 36 1.526 -24.546 9.891 1.00 31.51 ATOM 611 O ARG 36 0.885 -24.654 8.845 1.00 24.41 ATOM 612 N LYS 37 1.539 -25.486 10.830 1.00 21.32 ATOM 613 HN LYS 37 2.079 -25.357 11.645 1.00 37.64 ATOM 614 CA LYS 37 0.785 -26.725 10.684 1.00 75.40 ATOM 615 HA LYS 37 0.879 -27.067 9.660 1.00 61.44 ATOM 616 CB LYS 37 1.351 -27.804 11.610 1.00 11.14 ATOM 617 HB1 LYS 37 1.377 -27.416 12.606 1.00 37.64 ATOM 618 HB2 LYS 37 2.364 -28.021 11.298 1.00 22.13 ATOM 619 CG LYS 37 0.565 -29.103 11.583 1.00 61.44 ATOM 620 HG1 LYS 37 1.258 -29.924 11.709 1.00 37.64 ATOM 621 HG2 LYS 37 0.070 -29.206 10.624 1.00 2.53 ATOM 622 CD LYS 37 -0.486 -29.143 12.680 1.00 64.35 ATOM 623 HD1 LYS 37 -1.416 -29.448 12.242 1.00 37.64 ATOM 624 HD2 LYS 37 -0.608 -28.166 13.129 1.00 25.42 ATOM 625 CE LYS 37 -0.112 -30.132 13.773 1.00 12.14 ATOM 626 HE1 LYS 37 -0.630 -29.855 14.679 1.00 37.64 ATOM 627 HE2 LYS 37 0.953 -30.100 13.947 1.00 20.22 ATOM 628 NZ LYS 37 -0.489 -31.527 13.413 1.00 50.34 ATOM 629 HZ1 LYS 37 -0.001 -31.821 12.541 1.00 55.25 ATOM 630 HZ2 LYS 37 -1.517 -31.597 13.263 1.00 72.33 ATOM 631 HZ3 LYS 37 -0.220 -32.176 14.180 1.00 51.52 ATOM 632 C LYS 37 -0.693 -26.502 10.990 1.00 20.11 ATOM 633 O LYS 37 -1.561 -27.170 10.427 1.00 22.33 ATOM 634 N ILE 38 -0.971 -25.559 11.883 1.00 14.43 ATOM 635 HN ILE 38 -0.240 -25.053 12.284 1.00 37.64 ATOM 636 CA ILE 38 -2.344 -25.246 12.261 1.00 31.32 ATOM 637 HA ILE 38 -2.809 -26.157 12.619 1.00 33.11 ATOM 638 CB ILE 38 -2.393 -24.195 13.386 1.00 51.14 ATOM 639 HB ILE 38 -2.040 -23.251 12.993 1.00 4.15 ATOM 640 CG1 ILE 38 -1.487 -24.614 14.545 1.00 34.13 ATOM 641 HG11 ILE 38 -1.549 -23.878 15.333 1.00 37.64 ATOM 642 HG12 ILE 38 -0.474 -24.672 14.208 1.00 71.00 ATOM 643 CG2 ILE 38 -3.823 -24.000 13.867 1.00 73.43 ATOM 644 HG21 ILE 38 -4.421 -23.583 13.071 1.00 61.32 ATOM 645 HG22 ILE 38 -3.835 -23.315 14.702 1.00 0.52 ATOM 646 HG23 ILE 38 -4.248 -24.944 14.172 1.00 34.42 ATOM 647 CD1 ILE 38 -1.846 -25.959 15.137 1.00 75.23 ATOM 648 HD11 ILE 38 -2.867 -26.222 14.929 1.00 24.24 ATOM 649 HD12 ILE 38 -1.701 -25.926 16.205 1.00 13.23 ATOM 650 HD13 ILE 38 -1.194 -26.712 14.718 1.00 34.44 ATOM 651 C ILE 38 -3.140 -24.734 11.066 1.00 52.50 ATOM 652 O ILE 38 -4.187 -25.282 10.723 1.00 30.11 ATOM 653 N ALA 39 -2.635 -23.679 10.434 1.00 14.23 ATOM 654 HN ALA 39 -1.791 -23.282 10.758 1.00 37.64 ATOM 655 CA ALA 39 -3.297 -23.094 9.275 1.00 72.14 ATOM 656 HA ALA 39 -4.254 -22.730 9.588 1.00 2.43 ATOM 657 CB ALA 39 -2.493 -21.915 8.747 1.00 60.23 ATOM 658 HB1 ALA 39 -1.710 -22.256 8.081 1.00 61.42 ATOM 659 HB2 ALA 39 -2.045 -21.384 9.576 1.00 52.31 ATOM 660 HB3 ALA 39 -3.151 -21.247 8.221 1.00 71.04 ATOM 661 C ALA 39 -3.500 -24.133 8.177 1.00 41.34 ATOM 662 O ALA 39 -4.472 -24.072 7.425 1.00 51.01 ATOM 663 N GLU 40 -2.575 -25.084 8.090 1.00 34.12 ATOM 664 HN GLU 40 -1.800 -25.068 8.698 1.00 37.64 ATOM 665 CA GLU 40 -2.653 -26.135 7.082 1.00 14.31 ATOM 666 HA GLU 40 -2.675 -25.664 6.108 1.00 3.23 ATOM 667 CB GLU 40 -1.434 -27.054 7.176 1.00 3.11 ATOM 668 HB1 GLU 40 -1.738 -28.073 6.961 1.00 37.64 ATOM 669 HB2 GLU 40 -1.031 -27.020 8.172 1.00 51.13 ATOM 670 CG GLU 40 -0.318 -26.686 6.212 1.00 13.43 ATOM 671 HG1 GLU 40 0.131 -25.759 6.539 1.00 37.64 ATOM 672 HG2 GLU 40 -0.734 -26.554 5.223 1.00 31.34 ATOM 673 CD GLU 40 0.762 -27.747 6.137 1.00 74.45 ATOM 674 OE1 GLU 40 1.844 -27.454 5.587 1.00 52.15 ATOM 675 OE2 GLU 40 0.525 -28.871 6.626 1.00 32.34 ATOM 676 C GLU 40 -3.933 -26.951 7.245 1.00 44.34 ATOM 677 O GLU 40 -4.417 -27.563 6.292 1.00 54.21 ATOM 678 N LEU 41 -4.474 -26.955 8.458 1.00 72.34 ATOM 679 HN LEU 41 -4.035 -26.489 9.198 1.00 37.64 ATOM 680 CA LEU 41 -5.697 -27.696 8.747 1.00 72.13 ATOM 681 HA LEU 41 -5.806 -28.496 8.024 1.00 53.23 ATOM 682 CB LEU 41 -5.622 -28.319 10.142 1.00 64.44 ATOM 683 HB1 LEU 41 -6.451 -29.006 10.251 1.00 37.64 ATOM 684 HB2 LEU 41 -5.752 -27.520 10.867 1.00 22.44 ATOM 685 CG LEU 41 -4.325 -29.056 10.478 1.00 5.23 ATOM 686 HG LEU 41 -3.484 -28.494 10.116 1.00 1.33 ATOM 687 CD1 LEU 41 -4.166 -29.197 11.984 1.00 12.43 ATOM 688 HD11 LEU 41 -3.342 -29.853 12.209 1.00 1.34 ATOM 689 HD12 LEU 41 -5.071 -29.610 12.411 1.00 30.31 ATOM 690 HD13 LEU 41 -3.978 -28.225 12.416 1.00 74.43 ATOM 691 CD2 LEU 41 -4.297 -30.421 9.807 1.00 22.33 ATOM 692 HD21 LEU 41 -3.364 -30.919 10.035 1.00 52.21 ATOM 693 HD22 LEU 41 -4.382 -30.300 8.736 1.00 75.11 ATOM 694 HD23 LEU 41 -5.121 -31.022 10.166 1.00 50.31 ATOM 695 C LEU 41 -6.920 -26.789 8.648 1.00 25.10 ATOM 696 O LEU 41 -7.945 -27.043 9.278 1.00 35.13 ATOM 697 N MET 42 -6.803 -25.732 7.851 1.00 4.23 ATOM 698 HN MET 42 -5.982 -25.565 7.356 1.00 37.64 ATOM 699 CA MET 42 -7.900 -24.789 7.668 1.00 42.14 ATOM 700 HA MET 42 -8.751 -25.101 8.261 1.00 34.54 ATOM 701 CB MET 42 -7.486 -23.394 8.141 1.00 54.13 ATOM 702 HB1 MET 42 -8.257 -22.685 7.859 1.00 37.64 ATOM 703 HB2 MET 42 -6.569 -23.116 7.654 1.00 12.23 ATOM 704 CG MET 42 -7.293 -23.295 9.645 1.00 23.11 ATOM 705 HG1 MET 42 -6.540 -24.008 9.949 1.00 37.64 ATOM 706 HG2 MET 42 -8.226 -23.535 10.117 1.00 71.20 ATOM 707 SD MET 42 -6.781 -21.649 10.173 1.00 44.22 ATOM 708 CE MET 42 -8.348 -20.959 10.698 1.00 22.05 ATOM 709 HE1 MET 42 -8.165 -20.158 11.392 1.00 75.01 ATOM 710 HE2 MET 42 -8.942 -21.724 11.176 1.00 32.53 ATOM 711 HE3 MET 42 -8.879 -20.576 9.839 1.00 34.13 ATOM 712 C MET 42 -8.332 -24.735 6.206 1.00 64.45 ATOM 713 O MET 42 -8.103 -23.751 5.502 1.00 74.54 ATOM 714 N PRO 43 -8.970 -25.818 5.736 1.00 10.41 ATOM 715 CA PRO 43 -9.447 -25.918 4.354 1.00 50.44 ATOM 716 HA PRO 43 -8.654 -25.721 3.646 1.00 64.45 ATOM 717 CB PRO 43 -9.887 -27.379 4.235 1.00 43.01 ATOM 718 HB1 PRO 43 -9.067 -27.964 3.847 1.00 37.64 ATOM 719 HB2 PRO 43 -10.740 -27.480 3.575 1.00 35.41 ATOM 720 CG PRO 43 -10.217 -27.789 5.628 1.00 32.53 ATOM 721 HG1 PRO 43 -10.064 -28.852 5.744 1.00 37.64 ATOM 722 HG2 PRO 43 -11.241 -27.529 5.854 1.00 53.44 ATOM 723 CD PRO 43 -9.276 -27.027 6.519 1.00 40.30 ATOM 724 HD1 PRO 43 -8.389 -27.611 6.687 1.00 37.64 ATOM 725 HD2 PRO 43 -9.760 -26.784 7.452 1.00 63.24 ATOM 726 C PRO 43 -10.620 -24.984 4.076 1.00 33.12 ATOM 727 O PRO 43 -11.780 -25.384 4.169 1.00 20.20 ATOM 728 N GLY 44 -10.311 -23.737 3.735 1.00 43.15 ATOM 729 HN GLY 44 -9.368 -23.462 3.674 1.00 37.64 ATOM 730 CA GLY 44 -11.351 -22.766 3.449 1.00 62.15 ATOM 731 HA1 GLY 44 -12.205 -23.259 2.999 1.00 37.64 ATOM 732 HA2 GLY 44 -10.962 -22.047 2.742 1.00 72.11 ATOM 733 C GLY 44 -11.810 -22.026 4.689 1.00 32.11 ATOM 734 O GLY 44 -12.843 -22.357 5.271 1.00 63.51 ATOM 735 N ALA 45 -11.041 -21.022 5.096 1.00 2.21 ATOM 736 HN ALA 45 -10.215 -20.810 4.599 1.00 37.64 ATOM 737 CA ALA 45 -11.375 -20.233 6.275 1.00 2.13 ATOM 738 HA ALA 45 -12.440 -20.314 6.465 1.00 61.12 ATOM 739 CB ALA 45 -10.644 -20.773 7.496 1.00 51.32 ATOM 740 HB1 ALA 45 -9.583 -20.580 7.405 1.00 55.04 ATOM 741 HB2 ALA 45 -10.805 -21.835 7.567 1.00 62.24 ATOM 742 HB3 ALA 45 -11.022 -20.291 8.385 1.00 62.24 ATOM 743 C ALA 45 -11.039 -18.760 6.064 1.00 73.42 ATOM 744 O ALA 45 -10.171 -18.421 5.260 1.00 22.12 ATOM 745 N SER 46 -11.734 -17.890 6.790 1.00 44.24 ATOM 746 HN SER 46 -12.420 -18.215 7.414 1.00 37.64 ATOM 747 CA SER 46 -11.512 -16.453 6.678 1.00 51.12 ATOM 748 HA SER 46 -10.827 -16.256 5.863 1.00 54.32 ATOM 749 CB SER 46 -12.829 -15.734 6.379 1.00 33.15 ATOM 750 HB1 SER 46 -13.450 -16.355 5.748 1.00 37.64 ATOM 751 HB2 SER 46 -12.619 -14.805 5.871 1.00 4.13 ATOM 752 OG SER 46 -13.535 -15.446 7.574 1.00 2.31 ATOM 753 HG SER 46 -14.389 -15.066 7.358 1.00 22.32 ATOM 754 C SER 46 -10.895 -15.897 7.958 1.00 61.24 ATOM 755 O SER 46 -10.692 -16.625 8.929 1.00 45.53 ATOM 756 N GLY 47 -10.599 -14.601 7.950 1.00 2.11 ATOM 757 HN GLY 47 -10.776 -14.059 7.148 1.00 37.64 ATOM 758 CA GLY 47 -10.008 -13.968 9.115 1.00 64.32 ATOM 759 HA1 GLY 47 -9.867 -12.918 8.905 1.00 37.64 ATOM 760 HA2 GLY 47 -9.043 -14.416 9.311 1.00 1.34 ATOM 761 C GLY 47 -10.873 -14.106 10.351 1.00 15.33 ATOM 762 O GLY 47 -10.370 -14.362 11.445 1.00 42.15 ATOM 763 N ALA 48 -12.180 -13.933 10.179 1.00 20.31 ATOM 764 HN ALA 48 -12.527 -13.719 9.280 1.00 37.64 ATOM 765 CA ALA 48 -13.118 -14.040 11.290 1.00 5.11 ATOM 766 HA ALA 48 -12.833 -13.318 12.044 1.00 3.40 ATOM 767 CB ALA 48 -14.526 -13.701 10.826 1.00 13.51 ATOM 768 HB1 ALA 48 -14.531 -12.711 10.394 1.00 20.32 ATOM 769 HB2 ALA 48 -15.203 -13.727 11.668 1.00 14.24 ATOM 770 HB3 ALA 48 -14.847 -14.418 10.083 1.00 64.14 ATOM 771 C ALA 48 -13.083 -15.435 11.906 1.00 41.43 ATOM 772 O ALA 48 -13.109 -15.584 13.127 1.00 74.22 ATOM 773 N GLU 49 -13.024 -16.452 11.052 1.00 33.12 ATOM 774 HN GLU 49 -13.010 -16.273 10.082 1.00 37.64 ATOM 775 CA GLU 49 -12.988 -17.835 11.514 1.00 2.31 ATOM 776 HA GLU 49 -13.804 -17.981 12.213 1.00 54.35 ATOM 777 CB GLU 49 -13.160 -18.794 10.335 1.00 72.40 ATOM 778 HB1 GLU 49 -12.792 -19.774 10.617 1.00 37.64 ATOM 779 HB2 GLU 49 -12.573 -18.438 9.503 1.00 63.21 ATOM 780 CG GLU 49 -14.604 -18.963 9.893 1.00 12.14 ATOM 781 HG1 GLU 49 -15.253 -18.948 10.760 1.00 37.64 ATOM 782 HG2 GLU 49 -14.699 -19.918 9.397 1.00 33.34 ATOM 783 CD GLU 49 -15.050 -17.880 8.929 1.00 24.35 ATOM 784 OE1 GLU 49 -15.824 -16.995 9.349 1.00 2.24 ATOM 785 OE2 GLU 49 -14.625 -17.918 7.756 1.00 24.50 ATOM 786 C GLU 49 -11.678 -18.132 12.239 1.00 50.23 ATOM 787 O GLU 49 -11.626 -18.984 13.126 1.00 44.22 ATOM 788 N VAL 50 -10.621 -17.423 11.853 1.00 34.14 ATOM 789 HN VAL 50 -10.713 -16.760 11.132 1.00 37.64 ATOM 790 CA VAL 50 -9.311 -17.610 12.466 1.00 54.54 ATOM 791 HA VAL 50 -9.088 -18.667 12.476 1.00 21.20 ATOM 792 CB VAL 50 -8.210 -16.887 11.666 1.00 35.33 ATOM 793 HB VAL 50 -8.425 -15.828 11.661 1.00 13.22 ATOM 794 CG1 VAL 50 -6.853 -17.090 12.323 1.00 55.11 ATOM 795 HG11 VAL 50 -6.686 -18.144 12.500 1.00 33.13 ATOM 796 HG12 VAL 50 -6.813 -16.556 13.260 1.00 41.15 ATOM 797 HG13 VAL 50 -6.074 -16.713 11.674 1.00 31.32 ATOM 798 CG2 VAL 50 -8.193 -17.374 10.225 1.00 24.22 ATOM 799 HG21 VAL 50 -9.006 -18.062 10.036 1.00 40.15 ATOM 800 HG22 VAL 50 -7.258 -17.875 10.004 1.00 10.41 ATOM 801 HG23 VAL 50 -8.295 -16.523 9.568 1.00 24.00 ATOM 802 C VAL 50 -9.299 -17.100 13.902 1.00 5.32 ATOM 803 O VAL 50 -8.741 -17.739 14.795 1.00 54.20 ATOM 804 N LYS 51 -9.917 -15.944 14.119 1.00 2.25 ATOM 805 HN LYS 51 -10.332 -15.466 13.362 1.00 37.64 ATOM 806 CA LYS 51 -9.979 -15.347 15.448 1.00 12.13 ATOM 807 HA LYS 51 -8.970 -15.087 15.741 1.00 30.30 ATOM 808 CB LYS 51 -10.836 -14.079 15.421 1.00 72.33 ATOM 809 HB1 LYS 51 -11.879 -14.351 15.316 1.00 37.64 ATOM 810 HB2 LYS 51 -10.544 -13.495 14.557 1.00 55.04 ATOM 811 CG LYS 51 -10.688 -13.217 16.663 1.00 64.45 ATOM 812 HG1 LYS 51 -9.652 -13.225 16.979 1.00 37.64 ATOM 813 HG2 LYS 51 -11.302 -13.628 17.453 1.00 34.22 ATOM 814 CD LYS 51 -11.096 -11.778 16.395 1.00 63.53 ATOM 815 HD1 LYS 51 -10.713 -11.463 15.432 1.00 37.64 ATOM 816 HD2 LYS 51 -10.673 -11.150 17.166 1.00 43.03 ATOM 817 CE LYS 51 -12.608 -11.617 16.403 1.00 71.42 ATOM 818 HE1 LYS 51 -13.075 -12.506 15.997 1.00 37.64 ATOM 819 HE2 LYS 51 -12.863 -10.770 15.783 1.00 74.15 ATOM 820 NZ LYS 51 -13.133 -11.375 17.775 1.00 21.43 ATOM 821 HZ1 LYS 51 -12.897 -12.175 18.399 1.00 54.55 ATOM 822 HZ2 LYS 51 -14.167 -11.270 17.746 1.00 11.04 ATOM 823 HZ3 LYS 51 -12.722 -10.504 18.172 1.00 72.43 ATOM 824 C LYS 51 -10.547 -16.335 16.463 1.00 44.25 ATOM 825 O LYS 51 -10.112 -16.377 17.613 1.00 62.24 ATOM 826 N GLY 52 -11.520 -17.130 16.027 1.00 1.45 ATOM 827 HN GLY 52 -11.851 -17.054 15.105 1.00 37.64 ATOM 828 CA GLY 52 -12.129 -18.107 16.910 1.00 75.22 ATOM 829 HA1 GLY 52 -12.991 -18.529 16.415 1.00 37.64 ATOM 830 HA2 GLY 52 -12.457 -17.617 17.818 1.00 21.12 ATOM 831 C GLY 52 -11.180 -19.232 17.273 1.00 75.25 ATOM 832 O GLY 52 -11.239 -19.771 18.378 1.00 64.43 ATOM 833 N VAL 53 -10.304 -19.589 16.339 1.00 72.31 ATOM 834 HN VAL 53 -10.303 -19.120 15.477 1.00 37.64 ATOM 835 CA VAL 53 -9.339 -20.658 16.565 1.00 23.14 ATOM 836 HA VAL 53 -9.890 -21.572 16.730 1.00 72.12 ATOM 837 CB VAL 53 -8.424 -20.857 15.342 1.00 2.43 ATOM 838 HB VAL 53 -7.883 -19.941 15.162 1.00 41.53 ATOM 839 CG1 VAL 53 -7.406 -21.955 15.609 1.00 33.30 ATOM 840 HG11 VAL 53 -6.731 -21.653 16.394 1.00 2.50 ATOM 841 HG12 VAL 53 -6.831 -22.141 14.712 1.00 53.14 ATOM 842 HG13 VAL 53 -7.915 -22.864 15.901 1.00 74.42 ATOM 843 CG2 VAL 53 -9.250 -21.173 14.105 1.00 13.20 ATOM 844 HG21 VAL 53 -9.918 -21.998 14.308 1.00 73.13 ATOM 845 HG22 VAL 53 -8.592 -21.443 13.298 1.00 32.42 ATOM 846 HG23 VAL 53 -9.819 -20.310 13.821 1.00 33.51 ATOM 847 C VAL 53 -8.477 -20.370 17.790 1.00 41.15 ATOM 848 O VAL 53 -8.303 -21.229 18.655 1.00 1.20 ATOM 849 N CYS 54 -7.940 -19.157 17.856 1.00 52.32 ATOM 850 HN CYS 54 -8.144 -18.507 17.144 1.00 37.64 ATOM 851 CA CYS 54 -7.095 -18.754 18.975 1.00 74.43 ATOM 852 HA CYS 54 -6.279 -19.460 19.053 1.00 52.31 ATOM 853 CB CYS 54 -6.516 -17.361 18.728 1.00 12.41 ATOM 854 HB1 CYS 54 -5.811 -17.126 19.513 1.00 37.64 ATOM 855 HB2 CYS 54 -7.316 -16.633 18.739 1.00 44.43 ATOM 856 SG CYS 54 -5.654 -17.189 17.148 1.00 5.44 ATOM 857 HG CYS 54 -6.001 -18.211 16.380 1.00 54.34 ATOM 858 C CYS 54 -7.881 -18.768 20.282 1.00 53.13 ATOM 859 O CYS 54 -7.431 -19.324 21.284 1.00 14.24 ATOM 860 N THR 55 -9.059 -18.150 20.265 1.00 64.41 ATOM 861 HN THR 55 -9.366 -17.715 19.434 1.00 37.64 ATOM 862 CA THR 55 -9.906 -18.089 21.449 1.00 53.42 ATOM 863 HA THR 55 -9.385 -17.514 22.203 1.00 55.14 ATOM 864 CB THR 55 -11.245 -17.390 21.145 1.00 1.54 ATOM 865 HB THR 55 -11.782 -17.970 20.406 1.00 2.01 ATOM 866 OG1 THR 55 -11.005 -16.079 20.621 1.00 52.20 ATOM 867 HG1 THR 55 -11.755 -15.801 20.089 1.00 31.02 ATOM 868 CG2 THR 55 -12.100 -17.291 22.399 1.00 13.15 ATOM 869 HG21 THR 55 -12.486 -18.266 22.658 1.00 41.15 ATOM 870 HG22 THR 55 -12.926 -16.621 22.212 1.00 50.24 ATOM 871 HG23 THR 55 -11.510 -16.906 23.221 1.00 10.42 ATOM 872 C THR 55 -10.187 -19.483 21.997 1.00 11.13 ATOM 873 O THR 55 -10.085 -19.718 23.201 1.00 45.02 ATOM 874 N GLU 56 -10.541 -20.404 21.107 1.00 60.24 ATOM 875 HN GLU 56 -10.615 -20.153 20.155 1.00 37.64 ATOM 876 CA GLU 56 -10.836 -21.776 21.504 1.00 55.24 ATOM 877 HA GLU 56 -11.630 -21.743 22.226 1.00 51.42 ATOM 878 CB GLU 56 -11.269 -22.600 20.289 1.00 45.00 ATOM 879 HB1 GLU 56 -10.965 -23.632 20.409 1.00 37.64 ATOM 880 HB2 GLU 56 -10.795 -22.193 19.415 1.00 61.51 ATOM 881 CG GLU 56 -12.768 -22.580 20.042 1.00 44.33 ATOM 882 HG1 GLU 56 -12.984 -23.182 19.171 1.00 37.64 ATOM 883 HG2 GLU 56 -13.076 -21.561 19.860 1.00 22.12 ATOM 884 CD GLU 56 -13.560 -23.122 21.215 1.00 1.14 ATOM 885 OE1 GLU 56 -12.978 -23.871 22.028 1.00 3.52 ATOM 886 OE2 GLU 56 -14.761 -22.798 21.321 1.00 32.33 ATOM 887 C GLU 56 -9.624 -22.424 22.166 1.00 11.44 ATOM 888 O GLU 56 -9.754 -23.136 23.162 1.00 52.54 ATOM 889 N ALA 57 -8.446 -22.171 21.606 1.00 23.31 ATOM 890 HN ALA 57 -8.403 -21.607 20.798 1.00 37.64 ATOM 891 CA ALA 57 -7.210 -22.728 22.143 1.00 50.04 ATOM 892 HA ALA 57 -7.254 -23.804 22.040 1.00 4.35 ATOM 893 CB ALA 57 -6.015 -22.227 21.344 1.00 34.14 ATOM 894 HB1 ALA 57 -5.771 -21.211 21.628 1.00 34.50 ATOM 895 HB2 ALA 57 -6.252 -22.253 20.290 1.00 2.13 ATOM 896 HB3 ALA 57 -5.171 -22.868 21.529 1.00 23.23 ATOM 897 C ALA 57 -7.046 -22.380 23.618 1.00 13.22 ATOM 898 O ALA 57 -6.593 -23.202 24.413 1.00 5.32 ATOM 899 N GLY 58 -7.418 -21.155 23.978 1.00 54.15 ATOM 900 HN GLY 58 -7.762 -20.523 23.309 1.00 37.64 ATOM 901 CA GLY 58 -7.304 -20.720 25.357 1.00 0.32 ATOM 902 HA1 GLY 58 -7.465 -19.653 25.396 1.00 37.64 ATOM 903 HA2 GLY 58 -6.307 -20.932 25.722 1.00 74.13 ATOM 904 C GLY 58 -8.314 -21.395 26.264 1.00 64.21 ATOM 905 O GLY 58 -8.106 -21.490 27.473 1.00 2.11 ATOM 906 N MET 59 -9.411 -21.865 25.679 1.00 2.31 ATOM 907 HN MET 59 -9.537 -21.747 24.717 1.00 37.64 ATOM 908 CA MET 59 -10.457 -22.534 26.443 1.00 23.43 ATOM 909 HA MET 59 -10.676 -21.934 27.314 1.00 22.53 ATOM 910 CB MET 59 -11.727 -22.668 25.601 1.00 21.52 ATOM 911 HB1 MET 59 -12.497 -23.132 26.202 1.00 37.64 ATOM 912 HB2 MET 59 -11.519 -23.312 24.759 1.00 40.13 ATOM 913 CG MET 59 -12.240 -21.344 25.060 1.00 43.12 ATOM 914 HG1 MET 59 -12.525 -21.488 24.033 1.00 37.64 ATOM 915 HG2 MET 59 -11.469 -20.588 25.110 1.00 1.40 ATOM 916 SD MET 59 -13.685 -20.741 25.954 1.00 4.30 ATOM 917 CE MET 59 -13.090 -20.807 27.642 1.00 30.13 ATOM 918 HE1 MET 59 -12.145 -20.289 27.711 1.00 73.14 ATOM 919 HE2 MET 59 -12.959 -21.837 27.939 1.00 14.13 ATOM 920 HE3 MET 59 -13.808 -20.333 28.295 1.00 62.14 ATOM 921 C MET 59 -9.993 -23.911 26.908 1.00 33.33 ATOM 922 O MET 59 -10.227 -24.302 28.052 1.00 4.34 ATOM 923 N TYR 60 -9.337 -24.642 26.015 1.00 63.45 ATOM 924 HN TYR 60 -9.166 -24.265 25.120 1.00 37.64 ATOM 925 CA TYR 60 -8.843 -25.977 26.333 1.00 51.01 ATOM 926 HA TYR 60 -9.677 -26.573 26.677 1.00 50.20 ATOM 927 CB TYR 60 -8.252 -26.636 25.086 1.00 44.24 ATOM 928 HB1 TYR 60 -8.066 -27.680 25.294 1.00 37.64 ATOM 929 HB2 TYR 60 -7.318 -26.151 24.845 1.00 55.53 ATOM 930 CG TYR 60 -9.152 -26.555 23.873 1.00 4.34 ATOM 931 CD1 TYR 60 -8.637 -26.241 22.621 1.00 23.04 ATOM 932 HD1 TYR 60 -7.577 -26.054 22.517 1.00 13.44 ATOM 933 CD2 TYR 60 -10.517 -26.791 23.980 1.00 44.32 ATOM 934 HD2 TYR 60 -10.941 -27.038 24.943 1.00 24.45 ATOM 935 CE1 TYR 60 -9.455 -26.165 21.511 1.00 31.10 ATOM 936 HE1 TYR 60 -9.035 -25.920 20.549 1.00 75.00 ATOM 937 CE2 TYR 60 -11.342 -26.718 22.875 1.00 72.43 ATOM 938 HE2 TYR 60 -12.400 -26.906 22.979 1.00 41.24 ATOM 939 CZ TYR 60 -10.807 -26.405 21.643 1.00 60.13 ATOM 940 OH TYR 60 -11.626 -26.331 20.540 1.00 54.33 ATOM 941 HH TYR 60 -12.107 -25.500 20.551 1.00 22.25 ATOM 942 C TYR 60 -7.793 -25.920 27.438 1.00 31.23 ATOM 943 O TYR 60 -7.773 -26.764 28.334 1.00 4.42 ATOM 944 N ALA 61 -6.923 -24.918 27.367 1.00 24.44 ATOM 945 HN ALA 61 -6.981 -24.274 26.622 1.00 37.64 ATOM 946 CA ALA 61 -5.871 -24.748 28.362 1.00 30.44 ATOM 947 HA ALA 61 -5.367 -25.698 28.494 1.00 51.01 ATOM 948 CB ALA 61 -4.841 -23.740 27.875 1.00 60.43 ATOM 949 HB1 ALA 61 -4.037 -23.665 28.594 1.00 45.10 ATOM 950 HB2 ALA 61 -5.308 -22.772 27.753 1.00 63.34 ATOM 951 HB3 ALA 61 -4.442 -24.067 26.926 1.00 24.35 ATOM 952 C ALA 61 -6.450 -24.310 29.703 1.00 2.33 ATOM 953 O ALA 61 -6.074 -24.831 30.754 1.00 62.20 ATOM 954 N LEU 62 -7.365 -23.348 29.661 1.00 74.11 ATOM 955 HN LEU 62 -7.618 -22.958 28.790 1.00 37.64 ATOM 956 CA LEU 62 -7.996 -22.838 30.873 1.00 31.35 ATOM 957 HA LEU 62 -7.227 -22.385 31.484 1.00 51.40 ATOM 958 CB LEU 62 -9.047 -21.784 30.521 1.00 71.33 ATOM 959 HB1 LEU 62 -9.781 -21.735 31.320 1.00 37.64 ATOM 960 HB2 LEU 62 -9.558 -22.121 29.626 1.00 23.41 ATOM 961 CG LEU 62 -8.522 -20.369 30.274 1.00 34.34 ATOM 962 HG LEU 62 -7.635 -20.418 29.657 1.00 64.31 ATOM 963 CD1 LEU 62 -9.558 -19.537 29.534 1.00 21.30 ATOM 964 HD11 LEU 62 -10.457 -19.457 30.130 1.00 13.44 ATOM 965 HD12 LEU 62 -9.795 -20.009 28.590 1.00 13.11 ATOM 966 HD13 LEU 62 -9.163 -18.548 29.347 1.00 53.24 ATOM 967 CD2 LEU 62 -8.143 -19.705 31.590 1.00 41.23 ATOM 968 HD21 LEU 62 -9.013 -19.637 32.229 1.00 52.40 ATOM 969 HD22 LEU 62 -7.761 -18.712 31.398 1.00 53.33 ATOM 970 HD23 LEU 62 -7.380 -20.288 32.085 1.00 24.00 ATOM 971 C LEU 62 -8.640 -23.969 31.669 1.00 75.11 ATOM 972 O LEU 62 -8.360 -24.145 32.855 1.00 72.34 ATOM 973 N ARG 63 -9.503 -24.734 31.008 1.00 53.33 ATOM 974 HN ARG 63 -9.685 -24.543 30.056 1.00 37.64 ATOM 975 CA ARG 63 -10.187 -25.848 31.653 1.00 64.42 ATOM 976 HA ARG 63 -10.783 -25.452 32.464 1.00 20.32 ATOM 977 CB ARG 63 -11.111 -26.552 30.658 1.00 60.42 ATOM 978 HB1 ARG 63 -11.778 -25.819 30.227 1.00 37.64 ATOM 979 HB2 ARG 63 -11.699 -27.283 31.197 1.00 14.54 ATOM 980 CG ARG 63 -10.372 -27.247 29.526 1.00 44.01 ATOM 981 HG1 ARG 63 -9.528 -27.800 29.901 1.00 37.64 ATOM 982 HG2 ARG 63 -10.039 -26.504 28.837 1.00 72.34 ATOM 983 CD ARG 63 -11.277 -28.214 28.780 1.00 71.32 ATOM 984 HD1 ARG 63 -10.738 -28.604 27.929 1.00 37.64 ATOM 985 HD2 ARG 63 -12.146 -27.669 28.433 1.00 65.24 ATOM 986 NE ARG 63 -11.701 -29.328 29.623 1.00 33.45 ATOM 987 HE ARG 63 -11.200 -29.493 30.456 1.00 25.15 ATOM 988 CZ ARG 63 -12.717 -30.130 29.326 1.00 74.44 ATOM 989 NH1 ARG 63 -13.410 -29.943 28.210 1.00 5.25 ATOM 990 HH11 ARG 63 -13.188 -29.209 27.573 1.00 30.45 ATOM 991 HH12 ARG 63 -14.177 -30.553 27.997 1.00 45.01 ATOM 992 NH2 ARG 63 -13.043 -31.123 30.144 1.00 43.00 ATOM 993 HH21 ARG 63 -12.524 -31.271 30.988 1.00 11.45 ATOM 994 HH22 ARG 63 -13.810 -31.729 29.921 1.00 5.21 ATOM 995 C ARG 63 -9.182 -26.845 32.223 1.00 21.22 ATOM 996 O ARG 63 -9.485 -27.575 33.167 1.00 50.25 ATOM 997 N GLU 64 -7.986 -26.870 31.643 1.00 1.23 ATOM 998 HN GLU 64 -7.805 -26.312 30.861 1.00 37.64 ATOM 999 CA GLU 64 -6.938 -27.778 32.094 1.00 61.24 ATOM 1000 HA GLU 64 -7.396 -28.634 32.579 1.00 30.42 ATOM 1001 CB GLU 64 -6.116 -28.275 30.902 1.00 1.43 ATOM 1002 HB1 GLU 64 -5.192 -28.715 31.264 1.00 37.64 ATOM 1003 HB2 GLU 64 -5.876 -27.433 30.268 1.00 35.14 ATOM 1004 CG GLU 64 -6.834 -29.313 30.058 1.00 73.44 ATOM 1005 HG1 GLU 64 -7.540 -28.819 29.416 1.00 37.64 ATOM 1006 HG2 GLU 64 -7.364 -29.994 30.711 1.00 74.41 ATOM 1007 CD GLU 64 -5.884 -30.130 29.204 1.00 44.33 ATOM 1008 OE1 GLU 64 -5.921 -29.978 27.965 1.00 42.54 ATOM 1009 OE2 GLU 64 -5.103 -30.920 29.774 1.00 72.34 ATOM 1010 C GLU 64 -6.024 -27.095 33.107 1.00 51.12 ATOM 1011 O GLU 64 -4.908 -27.550 33.358 1.00 33.43 ATOM 1012 N ARG 65 -6.506 -25.999 33.685 1.00 64.25 ATOM 1013 HN ARG 65 -7.391 -25.663 33.471 1.00 37.64 ATOM 1014 CA ARG 65 -5.732 -25.252 34.669 1.00 53.43 ATOM 1015 HA ARG 65 -6.255 -24.331 34.873 1.00 3.13 ATOM 1016 CB ARG 65 -5.605 -26.054 35.965 1.00 10.10 ATOM 1017 HB1 ARG 65 -5.130 -25.437 36.716 1.00 37.64 ATOM 1018 HB2 ARG 65 -4.986 -26.924 35.783 1.00 3.32 ATOM 1019 CG ARG 65 -6.937 -26.538 36.515 1.00 63.11 ATOM 1020 HG1 ARG 65 -6.755 -27.113 37.411 1.00 37.64 ATOM 1021 HG2 ARG 65 -7.420 -27.162 35.779 1.00 65.33 ATOM 1022 CD ARG 65 -7.855 -25.375 36.855 1.00 51.31 ATOM 1023 HD1 ARG 65 -8.094 -24.848 35.942 1.00 37.64 ATOM 1024 HD2 ARG 65 -7.344 -24.707 37.535 1.00 70.42 ATOM 1025 NE ARG 65 -9.096 -25.822 37.481 1.00 32.02 ATOM 1026 HE ARG 65 -9.163 -26.768 37.749 1.00 42.11 ATOM 1027 CZ ARG 65 -10.133 -25.024 37.711 1.00 4.44 ATOM 1028 NH1 ARG 65 -10.077 -23.744 37.368 1.00 31.12 ATOM 1029 HH11 ARG 65 -9.266 -23.355 36.937 1.00 24.04 ATOM 1030 HH12 ARG 65 -10.865 -23.150 37.544 1.00 74.35 ATOM 1031 NH2 ARG 65 -11.228 -25.505 38.286 1.00 42.24 ATOM 1032 HH21 ARG 65 -11.276 -26.471 38.548 1.00 54.15 ATOM 1033 HH22 ARG 65 -12.011 -24.904 38.461 1.00 60.34 ATOM 1034 C ARG 65 -4.346 -24.914 34.128 1.00 23.44 ATOM 1035 O ARG 65 -3.381 -24.816 34.886 1.00 5.32 ATOM 1036 N ARG 66 -4.255 -24.739 32.814 1.00 21.41 ATOM 1037 HN ARG 66 -5.061 -24.765 32.254 1.00 37.64 ATOM 1038 CA ARG 66 -2.987 -24.415 32.172 1.00 24.14 ATOM 1039 HA ARG 66 -2.175 -24.636 32.860 1.00 13.22 ATOM 1040 CB ARG 66 -2.797 -25.262 30.913 1.00 63.41 ATOM 1041 HB1 ARG 66 -1.999 -24.829 30.318 1.00 37.64 ATOM 1042 HB2 ARG 66 -3.709 -25.242 30.336 1.00 21.20 ATOM 1043 CG ARG 66 -2.449 -26.713 31.202 1.00 63.52 ATOM 1044 HG1 ARG 66 -3.368 -27.272 31.308 1.00 37.64 ATOM 1045 HG2 ARG 66 -1.880 -26.775 32.121 1.00 33.31 ATOM 1046 CD ARG 66 -1.620 -27.321 30.081 1.00 73.51 ATOM 1047 HD1 ARG 66 -0.579 -27.150 30.315 1.00 37.64 ATOM 1048 HD2 ARG 66 -1.863 -26.839 29.141 1.00 72.32 ATOM 1049 NE ARG 66 -1.857 -28.756 29.942 1.00 44.02 ATOM 1050 HE ARG 66 -2.682 -29.128 30.333 1.00 34.42 ATOM 1051 CZ ARG 66 -1.026 -29.580 29.314 1.00 65.14 ATOM 1052 NH1 ARG 66 0.090 -29.114 28.770 1.00 64.31 ATOM 1053 HH11 ARG 66 0.331 -28.148 28.813 1.00 33.52 ATOM 1054 HH12 ARG 66 0.712 -29.746 28.302 1.00 21.35 ATOM 1055 NH2 ARG 66 -1.310 -30.873 29.229 1.00 61.43 ATOM 1056 HH21 ARG 66 -2.152 -31.232 29.638 1.00 71.35 ATOM 1057 HH22 ARG 66 -0.684 -31.497 28.755 1.00 51.23 ATOM 1058 C ARG 66 -2.921 -22.933 31.816 1.00 50.11 ATOM 1059 O ARG 66 -3.935 -22.317 31.487 1.00 70.22 ATOM 1060 N VAL 67 -1.721 -22.366 31.884 1.00 2.44 ATOM 1061 HN VAL 67 -0.944 -22.906 32.161 1.00 37.64 ATOM 1062 CA VAL 67 -1.522 -20.956 31.569 1.00 73.15 ATOM 1063 HA VAL 67 -2.479 -20.443 31.607 1.00 25.02 ATOM 1064 CB VAL 67 -0.585 -20.279 32.586 1.00 21.53 ATOM 1065 HB VAL 67 0.374 -20.779 32.556 1.00 65.23 ATOM 1066 CG1 VAL 67 -0.370 -18.818 32.225 1.00 43.24 ATOM 1067 HG11 VAL 67 -0.029 -18.267 33.094 1.00 12.11 ATOM 1068 HG12 VAL 67 -1.290 -18.377 31.864 1.00 23.22 ATOM 1069 HG13 VAL 67 0.382 -18.755 31.464 1.00 71.33 ATOM 1070 CG2 VAL 67 -1.144 -20.412 33.995 1.00 40.01 ATOM 1071 HG21 VAL 67 -1.243 -21.458 34.250 1.00 55.04 ATOM 1072 HG22 VAL 67 -2.113 -19.936 34.049 1.00 32.12 ATOM 1073 HG23 VAL 67 -0.472 -19.938 34.698 1.00 65.33 ATOM 1074 C VAL 67 -0.944 -20.783 30.168 1.00 14.35 ATOM 1075 O VAL 67 -1.126 -19.743 29.534 1.00 12.24 ATOM 1076 N HIS 68 -0.247 -21.809 29.691 1.00 52.33 ATOM 1077 HN HIS 68 -0.118 -22.618 30.231 1.00 37.64 ATOM 1078 CA HIS 68 0.357 -21.771 28.364 1.00 42.42 ATOM 1079 HA HIS 68 0.295 -20.771 27.984 1.00 73.05 ATOM 1080 CB HIS 68 1.829 -22.178 28.439 1.00 71.22 ATOM 1081 HB1 HIS 68 2.162 -22.528 27.468 1.00 37.64 ATOM 1082 HB2 HIS 68 1.943 -22.978 29.157 1.00 22.32 ATOM 1083 CG HIS 68 2.739 -21.063 28.851 1.00 42.51 ATOM 1084 ND1 HIS 68 2.418 -20.155 29.838 1.00 51.43 ATOM 1085 HD1 HIS 68 1.606 -20.153 30.370 1.00 55.24 ATOM 1086 CD2 HIS 68 3.968 -20.712 28.405 1.00 40.23 ATOM 1087 HD2 HIS 68 4.534 -21.208 27.629 1.00 3.21 ATOM 1088 CE1 HIS 68 3.409 -19.293 29.979 1.00 11.45 ATOM 1089 HE1 HIS 68 3.436 -18.470 30.678 1.00 41.32 ATOM 1090 NE2 HIS 68 4.362 -19.609 29.122 1.00 62.03 ATOM 1091 HE2 HIS 68 5.167 -19.077 28.951 1.00 37.64 ATOM 1092 C HIS 68 -0.389 -22.689 27.400 1.00 2.14 ATOM 1093 O HIS 68 -0.787 -23.796 27.764 1.00 4.31 ATOM 1094 N VAL 69 -0.576 -22.222 26.170 1.00 3.31 ATOM 1095 HN VAL 69 -0.225 -21.333 25.928 1.00 37.64 ATOM 1096 CA VAL 69 -1.274 -23.001 25.154 1.00 4.33 ATOM 1097 HA VAL 69 -1.922 -23.719 25.652 1.00 60.14 ATOM 1098 CB VAL 69 -2.162 -22.104 24.271 1.00 22.23 ATOM 1099 HB VAL 69 -1.527 -21.452 23.686 1.00 23.43 ATOM 1100 CG1 VAL 69 -2.985 -22.948 23.311 1.00 71.55 ATOM 1101 HG11 VAL 69 -2.337 -23.486 22.637 1.00 53.11 ATOM 1102 HG12 VAL 69 -3.625 -22.300 22.735 1.00 1.13 ATOM 1103 HG13 VAL 69 -3.591 -23.649 23.868 1.00 0.40 ATOM 1104 CG2 VAL 69 -3.062 -21.232 25.134 1.00 61.25 ATOM 1105 HG21 VAL 69 -3.680 -21.857 25.764 1.00 72.20 ATOM 1106 HG22 VAL 69 -3.695 -20.626 24.500 1.00 31.31 ATOM 1107 HG23 VAL 69 -2.459 -20.583 25.752 1.00 44.01 ATOM 1108 C VAL 69 -0.289 -23.754 24.267 1.00 50.13 ATOM 1109 O VAL 69 0.772 -23.235 23.917 1.00 30.42 ATOM 1110 N THR 70 -0.647 -24.982 23.904 1.00 54.42 ATOM 1111 HN THR 70 -1.513 -25.345 24.202 1.00 37.64 ATOM 1112 CA THR 70 0.204 -25.808 23.057 1.00 2.52 ATOM 1113 HA THR 70 1.192 -25.371 23.005 1.00 31.23 ATOM 1114 CB THR 70 0.354 -27.230 23.629 1.00 61.15 ATOM 1115 HB THR 70 1.115 -27.752 23.065 1.00 0.53 ATOM 1116 OG1 THR 70 -0.884 -27.939 23.509 1.00 14.02 ATOM 1117 HG1 THR 70 -1.581 -27.512 24.024 1.00 41.33 ATOM 1118 CG2 THR 70 0.780 -27.185 25.088 1.00 14.13 ATOM 1119 HG21 THR 70 0.930 -28.193 25.446 1.00 5.32 ATOM 1120 HG22 THR 70 0.010 -26.709 25.677 1.00 41.41 ATOM 1121 HG23 THR 70 1.702 -26.631 25.184 1.00 41.11 ATOM 1122 C THR 70 -0.350 -25.897 21.640 1.00 35.11 ATOM 1123 O THR 70 -1.482 -25.490 21.381 1.00 54.23 ATOM 1124 N GLN 71 0.454 -26.433 20.728 1.00 74.24 ATOM 1125 HN GLN 71 1.352 -26.742 20.999 1.00 37.64 ATOM 1126 CA GLN 71 0.041 -26.576 19.336 1.00 5.23 ATOM 1127 HA GLN 71 -0.172 -25.590 18.946 1.00 21.23 ATOM 1128 CB GLN 71 1.168 -27.199 18.510 1.00 31.00 ATOM 1129 HB1 GLN 71 1.499 -28.101 19.005 1.00 37.64 ATOM 1130 HB2 GLN 71 1.993 -26.507 18.459 1.00 62.12 ATOM 1131 CG GLN 71 0.754 -27.560 17.092 1.00 24.14 ATOM 1132 HG1 GLN 71 0.388 -26.670 16.601 1.00 37.64 ATOM 1133 HG2 GLN 71 -0.028 -28.302 17.124 1.00 24.05 ATOM 1134 CD GLN 71 1.899 -28.130 16.278 1.00 71.20 ATOM 1135 OE1 GLN 71 2.860 -28.668 16.828 1.00 21.24 ATOM 1136 NE2 GLN 71 1.802 -28.015 14.959 1.00 73.44 ATOM 1137 HE21 GLN 71 1.011 -27.571 14.582 1.00 14.42 ATOM 1138 HE22 GLN 71 2.519 -28.397 14.412 1.00 24.31 ATOM 1139 C GLN 71 -1.218 -27.429 19.226 1.00 22.03 ATOM 1140 O GLN 71 -2.131 -27.108 18.467 1.00 72.23 ATOM 1141 N GLU 72 -1.258 -28.517 19.989 1.00 13.13 ATOM 1142 HN GLU 72 -0.488 -28.735 20.567 1.00 37.64 ATOM 1143 CA GLU 72 -2.406 -29.416 19.976 1.00 62.54 ATOM 1144 HA GLU 72 -2.446 -29.882 19.010 1.00 60.23 ATOM 1145 CB GLU 72 -2.244 -30.501 21.042 1.00 33.44 ATOM 1146 HB1 GLU 72 -3.220 -30.878 21.328 1.00 37.64 ATOM 1147 HB2 GLU 72 -1.774 -30.064 21.914 1.00 41.04 ATOM 1148 CG GLU 72 -1.411 -31.687 20.584 1.00 12.50 ATOM 1149 HG1 GLU 72 -0.528 -31.324 20.074 1.00 37.64 ATOM 1150 HG2 GLU 72 -2.000 -32.281 19.901 1.00 31.24 ATOM 1151 CD GLU 72 -0.972 -32.571 21.735 1.00 74.12 ATOM 1152 OE1 GLU 72 -1.819 -32.883 22.599 1.00 62.25 ATOM 1153 OE2 GLU 72 0.216 -32.951 21.772 1.00 5.00 ATOM 1154 C GLU 72 -3.703 -28.647 20.209 1.00 20.31 ATOM 1155 O GLU 72 -4.733 -28.949 19.606 1.00 50.30 ATOM 1156 N ASP 73 -3.644 -27.654 21.089 1.00 52.53 ATOM 1157 HN ASP 73 -2.795 -27.465 21.553 1.00 37.64 ATOM 1158 CA ASP 73 -4.813 -26.840 21.403 1.00 72.15 ATOM 1159 HA ASP 73 -5.633 -27.504 21.649 1.00 11.13 ATOM 1160 CB ASP 73 -4.519 -25.922 22.590 1.00 24.52 ATOM 1161 HB1 ASP 73 -5.112 -25.018 22.515 1.00 37.64 ATOM 1162 HB2 ASP 73 -3.478 -25.654 22.597 1.00 23.42 ATOM 1163 CG ASP 73 -4.845 -26.574 23.920 1.00 43.32 ATOM 1164 OD1 ASP 73 -4.814 -25.868 24.950 1.00 65.00 ATOM 1165 OD2 ASP 73 -5.132 -27.789 23.930 1.00 1.32 ATOM 1166 C ASP 73 -5.237 -26.010 20.195 1.00 14.32 ATOM 1167 O ASP 73 -6.427 -25.783 19.971 1.00 23.23 ATOM 1168 N PHE 74 -4.257 -25.557 19.421 1.00 61.45 ATOM 1169 HN PHE 74 -3.323 -25.749 19.659 1.00 37.64 ATOM 1170 CA PHE 74 -4.528 -24.750 18.237 1.00 73.11 ATOM 1171 HA PHE 74 -5.200 -23.947 18.521 1.00 11.43 ATOM 1172 CB PHE 74 -3.229 -24.154 17.691 1.00 11.02 ATOM 1173 HB1 PHE 74 -3.284 -24.091 16.612 1.00 37.64 ATOM 1174 HB2 PHE 74 -2.399 -24.794 17.949 1.00 1.51 ATOM 1175 CG PHE 74 -2.933 -22.779 18.217 1.00 12.43 ATOM 1176 CD1 PHE 74 -2.277 -22.611 19.426 1.00 63.11 ATOM 1177 HD1 PHE 74 -1.974 -23.479 19.995 1.00 25.32 ATOM 1178 CD2 PHE 74 -3.312 -21.653 17.503 1.00 32.14 ATOM 1179 HD2 PHE 74 -3.824 -21.767 16.557 1.00 31.32 ATOM 1180 CE1 PHE 74 -2.003 -21.347 19.913 1.00 44.23 ATOM 1181 HE1 PHE 74 -1.491 -21.230 20.857 1.00 42.25 ATOM 1182 CE2 PHE 74 -3.040 -20.387 17.985 1.00 54.51 ATOM 1183 HE2 PHE 74 -3.341 -19.518 17.419 1.00 34.34 ATOM 1184 CZ PHE 74 -2.386 -20.233 19.192 1.00 60.14 ATOM 1185 HZ PHE 74 -2.173 -19.244 19.570 1.00 52.43 ATOM 1186 C PHE 74 -5.213 -25.582 17.156 1.00 24.12 ATOM 1187 O PHE 74 -6.291 -25.231 16.678 1.00 3.13 ATOM 1188 N GLU 75 -4.577 -26.686 16.776 1.00 21.14 ATOM 1189 HN GLU 75 -3.703 -26.892 17.181 1.00 37.64 ATOM 1190 CA GLU 75 -5.124 -27.567 15.751 1.00 24.33 ATOM 1191 HA GLU 75 -5.202 -27.004 14.831 1.00 71.00 ATOM 1192 CB GLU 75 -4.192 -28.760 15.522 1.00 12.44 ATOM 1193 HB1 GLU 75 -3.266 -28.397 15.101 1.00 37.64 ATOM 1194 HB2 GLU 75 -4.653 -29.438 14.813 1.00 34.23 ATOM 1195 CG GLU 75 -3.863 -29.527 16.792 1.00 60.12 ATOM 1196 HG1 GLU 75 -4.770 -29.746 17.327 1.00 37.64 ATOM 1197 HG2 GLU 75 -3.225 -28.924 17.399 1.00 15.34 ATOM 1198 CD GLU 75 -3.161 -30.842 16.513 1.00 43.21 ATOM 1199 OE1 GLU 75 -3.858 -31.835 16.218 1.00 21.34 ATOM 1200 OE2 GLU 75 -1.915 -30.878 16.589 1.00 1.54 ATOM 1201 C GLU 75 -6.513 -28.061 16.143 1.00 32.32 ATOM 1202 O GLU 75 -7.372 -28.273 15.288 1.00 70.43 ATOM 1203 N MET 76 -6.726 -28.243 17.443 1.00 44.25 ATOM 1204 HN MET 76 -5.998 -28.073 18.084 1.00 37.64 ATOM 1205 CA MET 76 -8.011 -28.711 17.948 1.00 23.23 ATOM 1206 HA MET 76 -8.271 -29.608 17.404 1.00 25.32 ATOM 1207 CB MET 76 -7.913 -29.017 19.444 1.00 32.41 ATOM 1208 HB1 MET 76 -8.835 -28.744 19.938 1.00 37.64 ATOM 1209 HB2 MET 76 -7.118 -28.424 19.875 1.00 44.25 ATOM 1210 CG MET 76 -7.620 -30.478 19.748 1.00 54.23 ATOM 1211 HG1 MET 76 -7.418 -30.576 20.805 1.00 37.64 ATOM 1212 HG2 MET 76 -6.748 -30.786 19.189 1.00 24.22 ATOM 1213 SD MET 76 -8.994 -31.565 19.322 1.00 55.21 ATOM 1214 CE MET 76 -10.277 -30.926 20.396 1.00 11.15 ATOM 1215 HE1 MET 76 -10.640 -29.987 20.005 1.00 22.43 ATOM 1216 HE2 MET 76 -9.874 -30.772 21.386 1.00 12.10 ATOM 1217 HE3 MET 76 -11.091 -31.634 20.445 1.00 75.23 ATOM 1218 C MET 76 -9.103 -27.676 17.699 1.00 0.04 ATOM 1219 O MET 76 -10.186 -28.006 17.218 1.00 61.55 ATOM 1220 N ALA 77 -8.811 -26.423 18.031 1.00 0.35 ATOM 1221 HN ALA 77 -7.927 -26.219 18.422 1.00 37.64 ATOM 1222 CA ALA 77 -9.768 -25.340 17.842 1.00 2.41 ATOM 1223 HA ALA 77 -10.639 -25.550 18.444 1.00 63.13 ATOM 1224 CB ALA 77 -9.174 -24.022 18.317 1.00 11.34 ATOM 1225 HB1 ALA 77 -9.816 -23.209 18.031 1.00 31.15 ATOM 1226 HB2 ALA 77 -8.202 -23.885 17.866 1.00 25.33 ATOM 1227 HB3 ALA 77 -9.070 -24.040 19.391 1.00 22.12 ATOM 1228 C ALA 77 -10.195 -25.233 16.382 1.00 31.51 ATOM 1229 O ALA 77 -11.360 -24.972 16.083 1.00 34.32 ATOM 1230 N VAL 78 -9.244 -25.437 15.476 1.00 73.03 ATOM 1231 HN VAL 78 -8.334 -25.656 15.776 1.00 37.64 ATOM 1232 CA VAL 78 -9.523 -25.365 14.046 1.00 4.44 ATOM 1233 HA VAL 78 -9.846 -24.357 13.817 1.00 53.32 ATOM 1234 CB VAL 78 -8.264 -25.673 13.213 1.00 34.32 ATOM 1235 HB VAL 78 -7.929 -26.673 13.453 1.00 31.12 ATOM 1236 CG1 VAL 78 -8.582 -25.623 11.727 1.00 55.23 ATOM 1237 HG11 VAL 78 -9.106 -26.522 11.439 1.00 30.33 ATOM 1238 HG12 VAL 78 -7.665 -25.554 11.159 1.00 51.34 ATOM 1239 HG13 VAL 78 -9.202 -24.764 11.511 1.00 21.33 ATOM 1240 CG2 VAL 78 -7.145 -24.704 13.561 1.00 42.14 ATOM 1241 HG21 VAL 78 -6.913 -24.764 14.601 1.00 35.25 ATOM 1242 HG22 VAL 78 -7.452 -23.697 13.322 1.00 64.30 ATOM 1243 HG23 VAL 78 -6.264 -24.953 12.985 1.00 14.22 ATOM 1244 C VAL 78 -10.630 -26.335 13.652 1.00 14.13 ATOM 1245 O VAL 78 -11.586 -25.960 12.974 1.00 42.44 ATOM 1246 N ALA 79 -10.496 -27.585 14.083 1.00 3.23 ATOM 1247 HN ALA 79 -9.705 -27.828 14.622 1.00 37.64 ATOM 1248 CA ALA 79 -11.487 -28.609 13.778 1.00 64.21 ATOM 1249 HA ALA 79 -11.573 -28.687 12.702 1.00 55.50 ATOM 1250 CB ALA 79 -11.030 -29.960 14.309 1.00 14.13 ATOM 1251 HB1 ALA 79 -10.940 -29.916 15.386 1.00 21.35 ATOM 1252 HB2 ALA 79 -10.070 -30.206 13.880 1.00 43.40 ATOM 1253 HB3 ALA 79 -11.745 -30.716 14.039 1.00 52.21 ATOM 1254 C ALA 79 -12.850 -28.244 14.356 1.00 63.12 ATOM 1255 O ALA 79 -13.887 -28.653 13.833 1.00 10.25 ATOM 1256 N LYS 80 -12.841 -27.473 15.438 1.00 51.23 ATOM 1257 HN LYS 80 -11.988 -27.199 15.838 1.00 37.64 ATOM 1258 CA LYS 80 -14.077 -27.051 16.087 1.00 25.54 ATOM 1259 HA LYS 80 -14.789 -27.866 16.038 1.00 50.23 ATOM 1260 CB LYS 80 -13.816 -26.723 17.559 1.00 14.42 ATOM 1261 HB1 LYS 80 -13.073 -25.940 17.616 1.00 37.64 ATOM 1262 HB2 LYS 80 -13.422 -27.611 18.037 1.00 11.52 ATOM 1263 CG LYS 80 -15.055 -26.261 18.308 1.00 71.45 ATOM 1264 HG1 LYS 80 -15.941 -26.702 17.864 1.00 37.64 ATOM 1265 HG2 LYS 80 -15.118 -25.185 18.232 1.00 54.11 ATOM 1266 CD LYS 80 -14.990 -26.636 19.779 1.00 64.04 ATOM 1267 HD1 LYS 80 -15.670 -25.999 20.327 1.00 37.64 ATOM 1268 HD2 LYS 80 -13.991 -26.488 20.151 1.00 74.41 ATOM 1269 CE LYS 80 -15.390 -28.086 20.003 1.00 63.21 ATOM 1270 HE1 LYS 80 -14.957 -28.418 20.935 1.00 37.64 ATOM 1271 HE2 LYS 80 -15.009 -28.700 19.197 1.00 21.42 ATOM 1272 NZ LYS 80 -16.868 -28.248 20.081 1.00 70.02 ATOM 1273 HZ1 LYS 80 -17.314 -27.930 19.195 1.00 42.32 ATOM 1274 HZ2 LYS 80 -17.253 -27.689 20.871 1.00 22.44 ATOM 1275 HZ3 LYS 80 -17.107 -29.249 20.235 1.00 63.22 ATOM 1276 C LYS 80 -14.676 -25.839 15.383 1.00 44.52 ATOM 1277 O LYS 80 -15.885 -25.614 15.432 1.00 0.00 ATOM 1278 N VAL 81 -13.822 -25.060 14.726 1.00 4.30 ATOM 1279 HN VAL 81 -12.865 -25.269 14.730 1.00 37.64 ATOM 1280 CA VAL 81 -14.267 -23.871 14.009 1.00 72.01 ATOM 1281 HA VAL 81 -15.117 -23.444 14.535 1.00 63.25 ATOM 1282 CB VAL 81 -13.159 -22.803 13.951 1.00 54.55 ATOM 1283 HB VAL 81 -12.305 -23.220 13.434 1.00 25.15 ATOM 1284 CG1 VAL 81 -13.634 -21.583 13.176 1.00 51.33 ATOM 1285 HG11 VAL 81 -14.592 -21.253 13.557 1.00 4.10 ATOM 1286 HG12 VAL 81 -13.726 -21.824 12.128 1.00 23.32 ATOM 1287 HG13 VAL 81 -12.921 -20.790 13.285 1.00 32.24 ATOM 1288 CG2 VAL 81 -12.719 -22.415 15.354 1.00 13.21 ATOM 1289 HG21 VAL 81 -13.521 -21.882 15.849 1.00 4.34 ATOM 1290 HG22 VAL 81 -11.854 -21.775 15.294 1.00 44.13 ATOM 1291 HG23 VAL 81 -12.475 -23.283 15.925 1.00 55.15 ATOM 1292 C VAL 81 -14.701 -24.216 12.589 1.00 65.24 ATOM 1293 O VAL 81 -15.563 -23.553 12.013 1.00 4.33 ATOM 1294 N MET 82 -14.097 -25.259 12.029 1.00 63.43 ATOM 1295 HN MET 82 -13.408 -25.756 12.527 1.00 37.64 ATOM 1296 CA MET 82 -14.422 -25.694 10.675 1.00 22.22 ATOM 1297 HA MET 82 -14.824 -24.855 10.122 1.00 11.20 ATOM 1298 CB MET 82 -13.165 -26.196 9.962 1.00 22.21 ATOM 1299 HB1 MET 82 -13.438 -26.621 9.008 1.00 37.64 ATOM 1300 HB2 MET 82 -12.716 -26.971 10.569 1.00 14.14 ATOM 1301 CG MET 82 -12.120 -25.115 9.739 1.00 51.14 ATOM 1302 HG1 MET 82 -11.205 -25.585 9.409 1.00 37.64 ATOM 1303 HG2 MET 82 -11.939 -24.600 10.672 1.00 12.00 ATOM 1304 SD MET 82 -12.625 -23.907 8.499 1.00 70.14 ATOM 1305 CE MET 82 -12.547 -24.898 7.009 1.00 62.51 ATOM 1306 HE1 MET 82 -12.825 -25.916 7.224 1.00 13.04 ATOM 1307 HE2 MET 82 -11.542 -24.878 6.623 1.00 54.02 ATOM 1308 HE3 MET 82 -13.224 -24.494 6.273 1.00 4.51 ATOM 1309 C MET 82 -15.481 -26.792 10.696 1.00 11.34 ATOM 1310 O MET 82 -16.248 -26.943 9.746 1.00 34.44 ATOM 1311 N GLN 83 -15.516 -27.553 11.785 1.00 20.30 ATOM 1312 HN GLN 83 -14.874 -27.412 12.513 1.00 37.64 ATOM 1313 CA GLN 83 -16.481 -28.637 11.928 1.00 61.12 ATOM 1314 HA GLN 83 -16.276 -29.141 12.862 1.00 3.03 ATOM 1315 CB GLN 83 -17.905 -28.080 11.953 1.00 33.02 ATOM 1316 HB1 GLN 83 -18.603 -28.882 11.737 1.00 37.64 ATOM 1317 HB2 GLN 83 -18.021 -27.317 11.204 1.00 63.20 ATOM 1318 CG GLN 83 -18.303 -27.487 13.295 1.00 3.23 ATOM 1319 HG1 GLN 83 -17.790 -26.545 13.424 1.00 37.64 ATOM 1320 HG2 GLN 83 -18.007 -28.167 14.083 1.00 63.25 ATOM 1321 CD GLN 83 -19.796 -27.250 13.410 1.00 62.53 ATOM 1322 OE1 GLN 83 -20.526 -28.074 13.961 1.00 21.43 ATOM 1323 NE2 GLN 83 -20.258 -26.120 12.888 1.00 72.41 ATOM 1324 HE21 GLN 83 -19.628 -25.498 12.458 1.00 60.43 ATOM 1325 HE22 GLN 83 -21.221 -25.949 12.952 1.00 72.50 ATOM 1326 C GLN 83 -16.337 -29.647 10.794 1.00 53.22 ATOM 1327 O GLN 83 -17.323 -30.042 10.171 1.00 33.14 ATOM 1328 N LYS 84 -15.103 -30.061 10.530 1.00 43.44 ATOM 1329 HN LYS 84 -14.346 -29.709 11.055 1.00 37.64 ATOM 1330 CA LYS 84 -14.829 -31.025 9.471 1.00 24.10 ATOM 1331 HA LYS 84 -15.767 -31.476 9.159 1.00 72.11 ATOM 1332 CB LYS 84 -14.194 -30.325 8.267 1.00 73.31 ATOM 1333 HB1 LYS 84 -13.148 -30.134 8.474 1.00 37.64 ATOM 1334 HB2 LYS 84 -14.688 -29.372 8.116 1.00 13.21 ATOM 1335 CG LYS 84 -14.280 -31.130 6.981 1.00 3.33 ATOM 1336 HG1 LYS 84 -14.136 -32.181 7.202 1.00 37.64 ATOM 1337 HG2 LYS 84 -13.498 -30.795 6.314 1.00 11.33 ATOM 1338 CD LYS 84 -15.622 -30.941 6.294 1.00 65.04 ATOM 1339 HD1 LYS 84 -15.740 -29.899 6.031 1.00 37.64 ATOM 1340 HD2 LYS 84 -16.412 -31.236 6.971 1.00 3.31 ATOM 1341 CE LYS 84 -15.723 -31.782 5.030 1.00 14.22 ATOM 1342 HE1 LYS 84 -15.593 -32.824 5.290 1.00 37.64 ATOM 1343 HE2 LYS 84 -14.943 -31.482 4.345 1.00 64.54 ATOM 1344 NZ LYS 84 -17.042 -31.615 4.358 1.00 23.41 ATOM 1345 HZ1 LYS 84 -17.813 -31.907 4.995 1.00 71.41 ATOM 1346 HZ2 LYS 84 -17.080 -32.202 3.500 1.00 22.43 ATOM 1347 HZ3 LYS 84 -17.187 -30.620 4.087 1.00 4.23 ATOM 1348 C LYS 84 -13.908 -32.134 9.971 1.00 73.35 ATOM 1349 O LYS 84 -12.968 -31.881 10.723 1.00 23.34 ATOM 1350 N ASP 85 -14.185 -33.362 9.546 1.00 61.22 ATOM 1351 HN ASP 85 -14.949 -33.513 8.945 1.00 37.64 ATOM 1352 CA ASP 85 -13.380 -34.510 9.948 1.00 11.21 ATOM 1353 HA ASP 85 -13.888 -35.396 9.595 1.00 52.10 ATOM 1354 CB ASP 85 -11.988 -34.430 9.319 1.00 54.53 ATOM 1355 HB1 ASP 85 -11.371 -33.733 9.873 1.00 37.64 ATOM 1356 HB2 ASP 85 -12.082 -34.081 8.300 1.00 72.04 ATOM 1357 CG ASP 85 -11.289 -35.774 9.287 1.00 60.22 ATOM 1358 OD1 ASP 85 -11.972 -36.793 9.053 1.00 33.44 ATOM 1359 OD2 ASP 85 -10.058 -35.807 9.494 1.00 32.43 ATOM 1360 C ASP 85 -13.261 -34.585 11.467 1.00 14.41 ATOM 1361 O ASP 85 -12.183 -34.840 12.004 1.00 74.24 ATOM 1362 N SER 86 -14.376 -34.359 12.155 1.00 54.24 ATOM 1363 HN SER 86 -15.217 -34.165 11.681 1.00 37.64 ATOM 1364 HA SER 86 -13.434 -34.735 13.977 1.00 41.35 ATOM 1365 CB SER 86 -14.658 -32.997 14.175 1.00 23.43 ATOM 1366 HB1 SER 86 -14.301 -32.949 15.193 1.00 37.64 ATOM 1367 HB2 SER 86 -15.719 -32.780 14.154 1.00 42.22 ATOM 1368 OG SER 86 -13.989 -32.007 13.413 1.00 71.50 ATOM 1369 HG SER 86 -13.043 -32.169 13.422 1.00 73.10 ATOM 1370 CA SER 86 -14.396 -34.396 13.612 1.00 14.32 ATOM 1371 C SER 86 -15.460 -35.366 14.116 1.00 20.35 ATOM 1372 OT1 SER 86 -16.640 -35.208 13.730 1.00 37.64 ATOM 1373 OT2 SER 86 -15.108 -36.279 14.894 1.00 37.64 ATOM 1374 OH2 TIP3 1 -18.976 -32.356 -2.898 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -19.327 -33.212 -2.655 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -18.250 -32.213 -2.291 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.134 -34.319 -1.686 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.000 -34.424 -1.292 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -14.758 -33.560 -1.239 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.662 -37.169 5.370 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -19.573 -36.225 5.238 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -20.301 -37.444 4.712 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.729 -37.914 8.789 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -20.767 -38.560 9.494 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -21.052 -38.380 8.018 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.023 -34.975 7.091 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.464 -35.695 7.541 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -17.036 -34.254 7.721 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -22.340 -35.481 9.195 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -22.036 -36.167 8.601 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -21.618 -35.363 9.813 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -13.677 -43.880 10.056 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -13.628 -43.270 10.792 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -13.251 -43.419 9.333 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -19.199 -41.087 9.523 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -19.056 -42.034 9.543 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -19.305 -40.880 8.594 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -13.285 -42.402 12.292 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -13.974 -41.744 12.197 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -13.270 -42.599 13.229 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -19.865 -34.568 4.413 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -20.161 -34.890 3.562 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -20.189 -33.668 4.455 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -20.941 -37.925 2.822 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -21.653 -37.390 2.471 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -20.250 -37.869 2.162 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.535 -37.715 3.774 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -18.267 -37.487 4.347 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.088 -38.429 4.229 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -17.638 -39.541 12.842 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -17.558 -38.778 13.414 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -18.239 -39.262 12.151 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -24.643 -33.917 14.007 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -24.955 -33.135 14.463 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -25.293 -34.070 13.321 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -18.664 -38.553 1.459 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -18.085 -38.403 2.206 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -18.250 -38.082 0.736 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -26.404 -31.845 14.771 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -26.396 -31.981 13.823 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -27.320 -31.963 15.023 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -13.776 -32.437 -0.351 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -13.703 -31.498 -0.181 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -12.871 -32.742 -0.408 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -21.880 -32.632 13.503 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -21.793 -31.806 13.978 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -22.744 -32.962 13.752 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -21.466 -28.860 3.309 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -21.541 -28.981 2.363 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -21.433 -27.910 3.428 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.364 -29.706 0.312 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -17.989 -30.450 -0.159 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -18.360 -29.976 1.230 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.707 -40.713 15.107 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.114 -40.232 14.387 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.666 -41.618 14.800 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -17.950 -42.381 13.328 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -18.464 -42.507 14.125 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -18.105 -41.469 13.083 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -17.187 -37.520 -0.911 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -17.145 -37.743 -1.841 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -16.338 -37.122 -0.721 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -21.213 -40.081 15.412 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -21.776 -40.785 15.732 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -20.387 -40.201 15.879 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.047 -39.172 11.409 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -19.723 -39.803 10.766 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -20.487 -39.707 12.070 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -22.779 -35.856 2.179 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -23.523 -36.363 1.856 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -22.913 -35.807 3.125 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -21.259 -35.672 13.416 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -21.605 -36.053 14.222 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -21.459 -34.738 13.487 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -20.653 -34.397 1.204 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -20.948 -33.571 1.586 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -21.356 -35.017 1.400 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -23.629 -38.583 15.476 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -23.925 -38.749 14.581 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -22.698 -38.803 15.466 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.822 -37.371 9.220 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -18.750 -37.603 9.193 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -17.371 -38.148 8.890 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -23.852 -35.380 4.929 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -24.093 -34.455 4.971 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -24.592 -35.839 5.325 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -23.337 -31.231 11.244 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -22.974 -30.376 11.011 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -22.805 -31.523 11.985 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -19.793 -35.132 10.945 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -20.219 -35.359 11.771 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -19.212 -35.870 10.762 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -17.590 -34.203 0.019 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -17.237 -34.583 0.823 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -18.539 -34.296 0.105 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.086 -29.723 0.220 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -12.343 -29.137 0.080 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -13.781 -29.155 0.553 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -16.724 -35.530 2.245 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -17.001 -36.258 2.801 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -15.797 -35.411 2.451 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -21.824 -31.823 1.671 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -22.641 -31.326 1.724 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -21.295 -31.348 1.031 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -21.757 -41.240 12.828 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -21.638 -40.666 13.585 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -21.102 -41.928 12.943 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -24.486 -30.780 1.653 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -24.325 -29.980 1.152 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -24.683 -30.473 2.538 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -15.553 -43.333 13.663 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -16.469 -43.070 13.575 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.217 -43.336 12.766 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -16.951 -39.582 7.759 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -17.748 -39.997 7.430 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -16.506 -40.273 8.250 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -25.553 -30.736 17.229 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -24.785 -31.195 17.570 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -25.574 -30.962 16.299 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -21.461 -31.228 -1.396 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -22.105 -31.859 -1.074 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -20.699 -31.759 -1.628 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -18.976 -32.356 15.958 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -19.327 -33.212 16.201 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -18.250 -32.213 16.565 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -16.857 -31.411 -1.162 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -16.574 -32.205 -0.709 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -16.117 -31.178 -1.723 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -23.588 -35.875 15.996 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -23.916 -35.604 15.138 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -23.436 -36.816 15.908 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -20.550 -34.454 -1.569 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -20.818 -34.274 -0.668 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -20.756 -35.380 -1.700 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -20.444 -37.165 16.635 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -19.491 -37.081 16.607 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -20.604 -37.876 17.254 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -23.130 -38.472 12.172 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -22.379 -38.628 11.599 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -23.469 -37.620 11.896 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -18.714 -40.657 17.200 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -18.522 -41.588 17.089 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -17.857 -40.232 17.190 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -13.833 -36.062 2.684 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -12.983 -35.641 2.812 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -13.828 -36.802 3.292 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -13.439 -38.009 4.508 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -14.165 -38.488 4.906 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -12.858 -37.803 5.240 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -13.171 -38.108 0.899 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -13.692 -37.751 0.180 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -13.204 -37.433 1.577 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -15.652 -39.488 5.071 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -15.802 -40.433 5.051 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -16.006 -39.207 5.915 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -15.330 -41.324 8.969 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -14.397 -41.112 8.935 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.565 -41.222 9.892 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -15.301 -40.587 11.745 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -16.144 -40.319 12.111 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -14.858 -39.765 11.534 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -26.071 -31.682 11.984 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -26.496 -30.873 11.701 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -25.166 -31.597 11.682 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -26.202 -28.826 11.061 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -27.067 -28.754 11.465 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -26.257 -28.279 10.277 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -24.576 -30.623 8.445 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -24.363 -31.511 8.158 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -24.511 -30.657 9.400 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -21.139 -29.369 0.510 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -20.273 -29.003 0.332 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -21.386 -29.809 -0.303 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -17.023 -34.975 25.947 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -17.464 -35.695 26.397 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -17.036 -34.254 26.577 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -19.912 -29.870 26.159 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -19.292 -30.547 25.886 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.120 -30.088 27.067 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -19.865 -34.568 23.269 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -20.161 -34.890 22.418 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -20.189 -33.668 23.311 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -16.511 -33.135 28.295 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -17.453 -33.077 28.456 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -16.235 -32.229 28.158 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.259 -31.354 24.920 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -17.834 -32.061 24.435 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -17.942 -30.553 24.503 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -17.100 -33.453 23.429 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -17.357 -34.143 22.817 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -17.029 -33.896 24.274 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -15.414 -34.887 31.906 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.274 -35.478 31.167 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.246 -34.014 31.550 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -20.887 -39.467 18.717 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -20.186 -39.445 19.368 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -20.585 -40.095 18.061 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -13.572 -38.547 29.972 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -14.224 -37.852 30.061 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -13.107 -38.337 29.162 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -19.214 -32.813 28.880 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -19.455 -32.151 29.528 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -19.412 -33.647 29.305 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -18.664 -38.553 20.315 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -18.085 -38.403 21.062 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -18.250 -38.082 19.592 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -20.938 -31.816 23.750 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -20.464 -31.521 24.528 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -21.501 -31.078 23.517 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -13.776 -32.437 18.505 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -13.703 -31.498 18.675 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -12.871 -32.742 18.448 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -21.466 -28.860 22.165 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -21.541 -28.981 21.219 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -21.433 -27.910 22.284 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.577 -28.338 34.590 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -15.377 -27.914 33.755 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -14.921 -27.995 35.197 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.629 -36.723 29.821 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -14.987 -36.266 29.278 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -16.459 -36.610 29.359 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -20.653 -34.397 20.060 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -20.948 -33.571 20.442 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -21.356 -35.017 20.256 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -19.009 -33.210 32.222 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -19.910 -33.027 31.954 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -18.975 -32.951 33.143 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.278 -40.965 20.589 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -13.832 -41.361 19.917 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -13.177 -40.055 20.312 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -13.314 -35.165 33.426 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.166 -34.927 33.059 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -12.724 -35.182 32.673 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -14.982 -32.179 21.054 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -15.355 -33.005 21.364 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -14.705 -32.362 20.157 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -19.793 -35.132 29.801 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -20.219 -35.359 30.627 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -19.212 -35.870 29.618 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -17.590 -34.203 18.875 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -17.237 -34.583 19.679 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -18.539 -34.296 18.961 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -17.134 -30.580 32.270 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -17.736 -31.135 31.775 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -16.853 -29.913 31.644 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.724 -35.530 21.101 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -17.001 -36.258 21.657 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.797 -35.411 21.307 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -23.499 -33.091 17.322 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -23.260 -33.839 16.774 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -23.768 -33.479 18.154 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -21.824 -31.823 20.527 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -22.641 -31.326 20.580 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -21.295 -31.348 19.887 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -21.461 -31.228 17.460 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -22.105 -31.859 17.782 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -20.699 -31.759 17.228 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -18.976 -32.356 34.814 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -19.327 -33.212 35.057 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -18.250 -32.213 35.421 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -20.550 -34.454 17.287 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -20.818 -34.274 18.188 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -20.756 -35.380 17.156 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -17.853 -35.959 32.235 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -17.108 -35.371 32.115 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -18.610 -35.377 32.298 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -23.784 -28.595 19.121 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -22.851 -28.437 19.265 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -24.048 -27.920 18.496 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -15.134 -34.319 36.026 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -16.000 -34.424 36.420 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.758 -33.560 36.473 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -13.833 -36.062 21.540 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -12.983 -35.641 21.668 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -13.828 -36.802 22.148 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -13.680 -35.224 28.312 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -12.846 -35.602 28.031 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -13.568 -34.281 28.193 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.171 -38.108 19.755 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -13.692 -37.751 19.036 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -13.204 -37.433 20.433 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -14.822 -40.868 18.306 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -14.725 -40.201 17.626 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -14.962 -41.684 17.824 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -14.796 -37.518 33.566 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -14.213 -38.252 33.757 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -14.232 -36.746 33.612 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -15.574 -43.460 17.423 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -14.964 -43.832 18.060 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.411 -43.882 17.619 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -16.410 -29.586 24.038 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -15.757 -29.933 23.430 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -15.899 -29.097 24.684 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -19.415 -28.998 33.043 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -18.738 -29.630 32.803 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -19.093 -28.596 33.851 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -19.164 -30.060 30.038 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -20.068 -29.895 29.772 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.735 -29.207 29.972 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -16.559 -28.490 30.333 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -16.741 -27.574 30.122 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -16.383 -28.900 29.486 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -21.139 -29.369 19.366 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -20.273 -29.003 19.188 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -21.386 -29.809 18.553 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -15.212 -31.055 34.196 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -15.994 -31.241 33.676 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -15.284 -30.126 34.413 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -13.776 -32.437 37.361 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -13.703 -31.498 37.531 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -12.871 -32.742 37.304 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.982 -32.179 39.910 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -15.355 -33.005 40.220 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -14.705 -32.362 39.013 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -13.086 -29.723 37.932 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -12.343 -29.137 37.792 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -13.781 -29.155 38.265 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -16.857 -31.411 36.550 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -16.574 -32.205 37.003 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -16.117 -31.178 35.989 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -14.430 -29.806 40.902 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -14.624 -30.554 40.337 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.469 -29.048 40.318 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -13.285 -23.546 -6.564 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -13.974 -22.888 -6.659 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -13.270 -23.743 -5.627 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -15.414 -16.031 -5.806 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -15.274 -16.622 -6.545 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -15.246 -15.158 -6.162 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -13.572 -19.691 -7.740 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -14.224 -18.996 -7.651 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -13.107 -19.481 -8.550 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -19.009 -14.354 -5.490 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -19.910 -14.171 -5.758 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -18.975 -14.095 -4.569 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -17.134 -11.724 -5.442 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -17.736 -12.279 -5.937 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -16.853 -11.057 -6.068 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -18.976 -13.500 -2.898 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -19.327 -14.356 -2.655 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -18.250 -13.357 -2.291 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -17.853 -17.103 -5.477 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -17.108 -16.515 -5.597 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -18.610 -16.521 -5.414 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -17.398 -19.012 -3.578 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -17.679 -18.303 -4.156 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -16.455 -19.085 -3.729 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -13.148 -10.820 -9.246 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -13.170 -10.635 -8.307 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -12.458 -10.251 -9.587 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -13.585 -11.253 -6.324 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -14.072 -11.988 -6.695 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -13.036 -11.646 -5.646 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -13.680 -16.368 -9.400 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -12.846 -16.746 -9.681 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -13.568 -15.425 -9.519 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -15.193 -13.490 -7.093 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -15.841 -13.165 -6.468 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.711 -13.930 -7.768 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -14.796 -18.662 -4.146 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -14.213 -19.396 -3.955 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -14.232 -17.890 -4.100 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -13.299 -20.759 -3.462 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.162 -21.138 -3.627 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.695 -21.498 -3.536 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.018 -27.751 -1.757 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -12.668 -28.405 -2.363 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -12.871 -26.914 -2.197 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -13.498 -25.642 -3.408 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -14.415 -25.371 -3.444 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -13.375 -26.177 -4.192 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -19.415 -10.142 -4.669 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -18.738 -10.774 -4.909 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -19.093 -9.740 -3.861 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.559 -9.634 -7.379 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.741 -8.718 -7.590 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.383 -10.044 -8.226 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -18.388 -28.272 -2.209 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -18.312 -28.698 -1.355 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -17.495 -28.258 -2.551 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.662 -18.313 5.370 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -19.573 -17.369 5.238 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -20.301 -18.588 4.712 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -20.729 -19.058 8.789 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -20.767 -19.704 9.494 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -21.052 -19.524 8.018 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -19.912 -11.014 7.303 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.292 -11.691 7.030 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -20.120 -11.232 8.211 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -22.340 -16.625 9.195 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -22.036 -17.311 8.601 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -21.618 -16.507 9.813 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -19.199 -22.231 9.523 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -19.056 -23.178 9.543 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -19.305 -22.024 8.594 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -18.322 -23.999 5.196 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -17.676 -24.328 5.821 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -17.812 -23.481 4.573 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -27.234 -25.212 10.869 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -27.453 -24.682 10.103 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -27.902 -24.985 11.517 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.865 -15.712 4.413 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -20.161 -16.034 3.562 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -20.189 -14.812 4.455 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -23.208 -27.906 8.322 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -23.325 -28.855 8.268 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -24.063 -27.574 8.595 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -18.259 -12.498 6.064 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.834 -13.205 5.579 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -17.942 -11.697 5.647 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -17.100 -14.597 4.573 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -17.357 -15.287 3.961 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -17.029 -15.040 5.418 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -17.535 -18.859 3.774 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -18.267 -18.631 4.347 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -17.088 -19.573 4.229 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -19.214 -13.957 10.024 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -19.455 -13.295 10.672 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -19.412 -14.791 10.449 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.664 -19.697 1.459 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -18.085 -19.547 2.206 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -18.250 -19.226 0.736 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -20.938 -12.960 4.894 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -20.464 -12.665 5.672 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -21.501 -12.222 4.661 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -14.966 -27.947 1.272 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -15.865 -27.808 1.567 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -14.714 -27.116 0.870 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -21.880 -13.776 13.503 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -21.793 -12.950 13.978 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -22.744 -14.106 13.752 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -18.364 -10.850 0.312 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -17.989 -11.594 -0.159 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -18.360 -11.120 1.230 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -18.695 -10.924 3.061 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -19.630 -10.824 3.240 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -18.415 -11.633 3.639 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -25.939 -27.003 9.100 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -26.800 -27.090 8.692 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -25.961 -26.147 9.527 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -17.187 -18.664 -0.911 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -17.145 -18.887 -1.841 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -16.338 -18.266 -0.721 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -25.848 -22.037 10.195 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -26.490 -22.078 10.904 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -25.811 -21.111 9.957 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -20.315 -21.400 3.924 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -20.724 -20.585 3.632 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -19.595 -21.540 3.309 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -21.213 -21.225 15.412 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -21.776 -21.929 15.732 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.387 -21.345 15.879 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -19.311 -21.954 6.738 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -19.506 -21.349 6.023 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.129 -22.788 6.303 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -20.047 -20.316 11.409 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -19.723 -20.947 10.766 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -20.487 -20.851 12.070 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -23.269 -24.389 6.193 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -24.180 -24.332 6.482 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -22.764 -24.449 7.004 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -21.949 -21.601 8.080 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -21.385 -22.148 7.533 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -22.097 -22.123 8.869 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -23.323 -23.213 10.494 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -24.158 -22.759 10.604 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -22.799 -22.937 11.246 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.881 -24.186 0.378 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -19.819 -24.074 0.227 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -18.584 -23.329 0.684 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -21.259 -16.816 13.416 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -21.605 -17.197 14.222 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -21.459 -15.882 13.487 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -18.163 -22.319 2.039 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -17.271 -22.456 2.358 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -18.106 -21.528 1.502 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -23.629 -19.727 15.476 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -23.925 -19.893 14.581 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -22.698 -19.947 15.466 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -19.009 -14.354 13.366 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -19.910 -14.171 13.098 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -18.975 -14.095 14.287 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -14.982 -13.323 2.198 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -15.355 -14.149 2.508 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -14.705 -13.506 1.301 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.793 -16.276 10.945 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -20.219 -16.503 11.771 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -19.212 -17.014 10.762 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -17.590 -15.347 0.019 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -17.237 -15.727 0.823 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -18.539 -15.440 0.105 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -17.134 -11.724 13.414 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -17.736 -12.279 12.919 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -16.853 -11.057 12.788 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -16.724 -16.674 2.245 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -17.001 -17.402 2.801 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -15.797 -16.555 2.451 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -19.493 -25.098 2.808 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -19.273 -24.626 2.005 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -18.935 -24.703 3.479 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -21.757 -22.384 12.828 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -21.638 -21.810 13.585 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -21.102 -23.072 12.943 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -21.409 -26.289 4.581 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -21.756 -25.671 5.226 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -20.751 -25.788 4.100 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.976 -13.500 15.958 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -19.327 -14.356 16.201 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -18.250 -13.357 16.565 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -17.853 -17.103 13.379 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -17.108 -16.515 13.259 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -18.610 -16.521 13.442 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -25.464 -20.780 13.357 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -26.082 -20.105 13.638 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -25.120 -20.459 12.524 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -14.292 -18.075 -1.291 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -14.565 -18.500 -2.104 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -14.252 -17.144 -1.508 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -25.124 -23.425 14.440 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -24.974 -24.154 13.837 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -25.122 -22.648 13.881 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -24.712 -25.055 11.932 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -24.176 -24.604 11.280 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -25.564 -25.163 11.510 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -23.130 -19.616 12.172 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -22.379 -19.772 11.599 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -23.469 -18.764 11.896 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.714 -21.801 17.200 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.522 -22.732 17.089 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -17.857 -21.376 17.190 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -17.398 -19.012 15.278 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -17.679 -18.303 14.700 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -16.455 -19.085 15.127 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -22.642 -23.277 15.927 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -22.878 -23.497 16.829 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -23.425 -23.484 15.418 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -23.331 -26.622 17.089 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -23.462 -27.098 16.268 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -23.930 -25.878 17.033 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -15.134 -15.463 17.170 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -16.000 -15.568 17.564 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -14.758 -14.704 17.617 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -13.833 -17.206 2.684 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -12.983 -16.785 2.812 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -13.828 -17.946 3.292 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -13.171 -19.252 0.899 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -13.692 -18.895 0.180 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -13.204 -18.577 1.577 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -14.822 -22.012 -0.550 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -14.725 -21.345 -1.230 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -14.962 -22.828 -1.032 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -15.574 -24.604 -1.433 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -14.964 -24.976 -0.796 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -16.411 -25.026 -1.237 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -13.462 -25.719 0.110 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -13.049 -26.440 -0.366 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -12.780 -25.049 0.168 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -16.410 -10.730 5.182 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -15.757 -11.077 4.574 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.899 -10.241 5.828 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.415 -10.142 14.187 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -18.738 -10.774 13.947 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.093 -9.740 14.995 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -21.491 -10.082 10.237 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -21.948 -9.553 9.583 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -21.328 -9.479 10.962 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -19.164 -11.204 11.182 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -20.068 -11.039 10.916 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -18.735 -10.351 11.116 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -16.559 -9.634 11.477 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -16.741 -8.718 11.266 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -16.383 -10.044 10.630 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -21.067 -26.103 7.590 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -21.742 -26.732 7.845 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -20.503 -26.587 6.987 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -17.251 -27.486 2.567 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.954 -26.872 2.357 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -17.696 -28.324 2.698 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -14.430 -10.950 3.190 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -14.624 -11.698 2.625 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -14.469 -10.192 2.606 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -26.810 -27.604 16.465 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -25.911 -27.878 16.280 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -27.196 -28.347 16.929 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -19.662 -18.313 24.226 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -19.573 -17.369 24.094 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -20.301 -18.588 23.568 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -20.729 -19.058 27.645 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -20.767 -19.704 28.350 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -21.052 -19.524 26.874 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.023 -16.119 25.947 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -17.464 -16.839 26.397 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.036 -15.398 26.577 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -19.199 -22.231 28.379 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.056 -23.178 28.399 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -19.305 -22.024 27.450 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -18.322 -23.999 24.052 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -17.676 -24.328 24.677 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -17.812 -23.481 23.429 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -19.865 -15.712 23.269 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -20.161 -16.034 22.418 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -20.189 -14.812 23.311 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -16.558 -24.708 26.033 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -16.773 -25.474 26.565 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -15.902 -24.236 26.546 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.511 -14.279 28.295 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -17.453 -14.221 28.456 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -16.235 -13.373 28.158 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -16.211 -25.993 29.712 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.947 -25.382 29.674 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -15.527 -25.578 29.186 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -17.100 -14.597 23.429 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -17.357 -15.287 22.817 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -17.029 -15.040 24.274 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -15.414 -16.031 31.906 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -15.274 -16.622 31.167 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -15.246 -15.158 31.550 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -20.941 -19.069 21.678 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -21.653 -18.534 21.327 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.250 -19.013 21.018 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -20.887 -20.611 18.717 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -20.186 -20.589 19.368 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -20.585 -21.239 18.061 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -17.535 -18.859 22.630 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -18.267 -18.631 23.203 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -17.088 -19.573 23.085 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -17.638 -20.685 31.698 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -17.558 -19.922 32.270 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -18.239 -20.406 31.007 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -18.664 -19.697 20.315 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -18.085 -19.547 21.062 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.250 -19.226 19.592 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -18.364 -10.850 19.168 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -17.989 -11.594 18.697 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.360 -11.120 20.086 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -18.695 -10.924 21.917 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -19.630 -10.824 22.096 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -18.415 -11.633 22.495 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -15.707 -21.857 33.963 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.114 -21.376 33.243 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -15.666 -22.762 33.656 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -17.950 -23.525 32.184 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.464 -23.651 32.981 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -18.105 -22.613 31.939 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.187 -18.664 17.945 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.145 -18.887 17.015 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -16.338 -18.266 18.135 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -21.614 -24.788 18.615 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -21.868 -24.769 19.538 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -21.871 -25.660 18.314 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -20.315 -21.400 22.780 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -20.724 -20.585 22.488 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -19.595 -21.540 22.165 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -19.311 -21.954 25.594 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -19.506 -21.349 24.879 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -19.129 -22.788 25.159 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -24.732 -24.343 17.716 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -25.163 -24.788 18.446 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -25.450 -23.971 17.204 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -20.047 -20.316 30.265 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -19.723 -20.947 29.622 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -20.487 -20.851 30.926 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -18.864 -25.154 28.313 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -19.541 -25.023 28.977 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -19.350 -25.309 27.503 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -15.629 -17.867 29.821 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -14.987 -17.410 29.278 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -16.459 -17.754 29.359 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -18.881 -24.186 19.234 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -19.819 -24.074 19.083 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -18.584 -23.329 19.540 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -13.314 -16.309 33.426 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.166 -16.071 33.059 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -12.724 -16.326 32.673 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.982 -13.323 21.054 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.355 -14.149 21.364 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.705 -13.506 20.157 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -17.822 -18.515 28.076 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -18.750 -18.747 28.049 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -17.371 -19.292 27.746 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -17.590 -15.347 18.875 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -17.237 -15.727 19.679 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -18.539 -15.440 18.961 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.724 -16.674 21.101 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.001 -17.402 21.657 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -15.797 -16.555 21.307 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -19.493 -25.098 21.664 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -19.273 -24.626 20.861 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -18.935 -24.703 22.335 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -22.293 -23.370 22.499 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -21.481 -22.866 22.545 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -22.538 -23.515 23.413 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -21.409 -26.289 23.437 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -21.756 -25.671 24.082 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -20.751 -25.788 22.956 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -15.553 -24.477 32.519 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -16.469 -24.214 32.431 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -15.217 -24.480 31.622 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.853 -17.103 32.235 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.108 -16.515 32.115 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -18.610 -16.521 32.298 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -17.398 -19.012 34.134 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -17.679 -18.303 33.556 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -16.455 -19.085 33.983 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.292 -25.516 35.864 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -18.389 -26.468 35.858 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -18.614 -25.247 36.725 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -13.680 -16.368 28.312 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -12.846 -16.746 28.031 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -13.568 -15.425 28.193 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.796 -18.662 33.566 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.213 -19.396 33.757 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.232 -17.890 33.612 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.299 -20.759 34.250 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -14.162 -21.138 34.085 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.695 -21.498 34.176 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -13.498 -25.642 34.304 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -14.415 -25.371 34.268 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.375 -26.177 33.520 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -16.410 -10.730 24.038 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -15.757 -11.077 23.430 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -15.899 -10.241 24.684 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -21.067 -26.103 26.446 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -21.742 -26.732 26.701 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -20.503 -26.587 25.843 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -18.604 -27.512 25.730 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -18.528 -27.417 24.781 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -18.880 -28.420 25.859 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -23.017 -25.462 20.971 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -22.839 -26.108 21.654 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -23.071 -24.628 21.438 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -14.430 -10.950 22.046 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -14.624 -11.698 21.481 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.469 -10.192 21.462 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.966 -27.947 38.984 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.865 -27.808 39.279 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.714 -27.116 38.582 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -18.881 -24.186 38.090 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -19.819 -24.074 37.939 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -18.584 -23.329 38.396 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -18.163 -22.319 39.751 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -17.271 -22.456 40.070 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -18.106 -21.528 39.214 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -13.278 -22.109 39.445 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -13.832 -22.505 38.773 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -13.177 -21.199 39.168 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -14.292 -18.075 36.421 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -14.565 -18.500 35.608 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.252 -17.144 36.204 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -13.439 -19.153 42.220 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.165 -19.632 42.618 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -12.858 -18.947 42.952 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -13.171 -19.252 38.611 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -13.692 -18.895 37.892 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -13.204 -18.577 39.289 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.822 -22.012 37.162 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.725 -21.345 36.482 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.962 -22.828 36.680 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -15.652 -20.632 42.783 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -15.802 -21.577 42.763 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -16.006 -20.351 43.627 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -15.574 -24.604 36.279 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.964 -24.976 36.916 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -16.411 -25.026 36.475 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -15.942 -23.049 41.245 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -15.662 -23.956 41.370 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -15.183 -22.615 40.856 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -15.328 -25.786 41.294 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.146 -26.235 42.119 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -15.928 -26.371 40.830 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -14.198 -26.857 43.748 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -13.586 -27.371 43.221 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -13.815 -25.979 43.771 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -17.251 -27.486 40.279 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -17.954 -26.872 40.069 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -17.696 -28.324 40.410 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.285 -4.690 -6.564 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -13.974 -4.032 -6.659 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -13.270 -4.887 -5.627 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -15.553 -5.621 -5.193 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -16.469 -5.358 -5.281 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -15.217 -5.624 -6.090 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -18.292 -6.660 -1.848 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -18.389 -7.612 -1.854 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -18.614 -6.391 -0.987 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -13.299 -1.903 -3.462 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -14.162 -2.282 -3.627 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -12.695 -2.642 -3.536 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -13.498 -6.786 -3.408 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -14.415 -6.515 -3.444 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -13.375 -7.321 -4.192 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -14.497 -8.696 -5.589 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -15.310 -8.371 -5.977 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -14.264 -9.456 -6.122 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -18.388 -9.416 -2.209 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -18.312 -9.842 -1.355 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -17.495 -9.402 -2.551 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -13.677 -6.168 10.056 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -13.628 -5.558 10.792 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -13.251 -5.707 9.333 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -16.211 -7.137 10.856 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -16.947 -6.526 10.818 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -15.527 -6.722 10.330 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -14.966 -9.091 1.272 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -15.865 -8.952 1.567 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -14.714 -8.260 0.870 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.278 -3.253 1.733 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.832 -3.649 1.061 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -13.177 -2.343 1.456 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -15.553 -5.621 13.663 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -16.469 -5.358 13.575 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -15.217 -5.624 12.766 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -18.292 -6.660 17.008 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -18.389 -7.612 17.002 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -18.614 -6.391 17.869 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -13.171 -0.396 0.899 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -13.692 -0.039 0.180 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -13.204 0.279 1.577 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -14.822 -3.156 -0.550 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -14.725 -2.489 -1.230 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -14.962 -3.972 -1.032 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -15.574 -5.748 -1.433 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -14.964 -6.120 -0.796 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -16.411 -6.170 -1.237 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -15.942 -4.193 3.533 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -15.662 -5.100 3.658 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -15.183 -3.759 3.144 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -15.328 -6.930 3.582 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.146 -7.379 4.407 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -15.928 -7.515 3.118 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -13.498 -6.786 15.448 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -14.415 -6.515 15.412 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -13.375 -7.321 14.664 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -13.462 -6.863 0.110 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -13.049 -7.584 -0.366 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.780 -6.193 0.168 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -14.497 -8.696 13.267 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -15.310 -8.371 12.879 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -14.264 -9.456 12.734 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -15.925 -9.140 7.702 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -15.321 -8.592 7.201 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -16.794 -8.820 7.462 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -14.198 -8.001 6.036 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -13.586 -8.515 5.509 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -13.815 -7.123 6.059 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -18.604 -8.656 6.874 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -18.528 -8.561 5.925 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -18.880 -9.564 7.003 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -17.251 -8.630 2.567 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -17.954 -8.016 2.357 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -17.696 -9.468 2.698 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -18.388 -9.416 16.647 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -18.312 -9.842 17.501 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -17.495 -9.402 16.305 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -15.574 -5.748 17.423 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -14.964 -6.120 18.060 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -16.411 -6.170 17.619 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -15.328 -6.930 22.438 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -15.146 -7.379 23.263 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -15.928 -7.515 21.974 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -13.462 -6.863 18.966 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -13.049 -7.584 18.490 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -12.780 -6.193 19.024 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -14.198 -8.001 24.892 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -13.586 -8.515 24.365 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -13.815 -7.123 24.915 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -17.251 -8.630 21.423 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -17.954 -8.016 21.213 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -17.696 -9.468 21.554 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -11.294 -29.655 -3.247 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -10.754 -29.872 -2.488 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -11.775 -30.461 -3.437 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -6.697 -30.736 -1.627 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -5.929 -31.195 -1.286 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -6.718 -30.962 -2.557 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -1.873 -37.914 8.789 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -1.911 -38.560 9.494 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -2.196 -38.380 8.018 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 1.833 -34.975 7.091 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 1.392 -35.695 7.541 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 1.820 -34.254 7.721 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -11.971 -40.189 4.310 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -12.419 -39.343 4.292 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -12.532 -40.769 3.795 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -3.484 -35.481 9.195 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -3.180 -36.167 8.601 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -2.762 -35.363 9.813 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -10.568 -40.589 7.557 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -9.914 -41.139 7.989 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -10.544 -40.863 6.641 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -5.412 -39.039 6.773 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -4.796 -39.565 7.282 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -5.998 -39.679 6.369 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -1.009 -34.568 4.413 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -1.305 -34.890 3.562 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -1.333 -33.668 4.455 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -5.809 -36.392 11.157 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -6.549 -35.794 11.260 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -5.095 -35.838 10.841 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -8.784 -42.176 8.822 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -8.171 -41.543 9.195 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -8.272 -42.648 8.165 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -11.280 -34.757 2.726 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -11.552 -34.528 1.837 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -11.235 -33.919 3.186 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 2.345 -33.135 9.439 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 1.403 -33.077 9.600 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 2.621 -32.229 9.302 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 1.756 -33.453 4.573 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 1.499 -34.143 3.961 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 1.827 -33.896 5.418 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 3.442 -34.887 13.050 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 3.582 -35.478 12.311 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 3.610 -34.014 12.694 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -7.034 -37.085 5.657 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -7.364 -37.455 4.838 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -6.446 -37.755 6.003 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -6.667 -38.316 9.290 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -6.102 -38.195 8.527 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -6.348 -37.679 9.929 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -8.867 -37.719 13.236 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -8.797 -37.068 13.934 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -9.758 -37.616 12.901 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -2.082 -31.816 4.894 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -1.608 -31.521 5.672 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -2.645 -31.078 4.661 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -8.044 -38.015 3.246 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -8.336 -37.247 2.755 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -8.718 -38.675 3.083 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 5.997 -32.206 14.627 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 5.948 -33.161 14.590 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 5.171 -31.938 15.029 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 0.492 -29.706 0.312 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 0.867 -30.450 -0.159 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 0.496 -29.976 1.230 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -6.992 -40.893 10.195 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -7.634 -40.934 10.904 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -6.955 -39.967 9.957 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -6.995 -40.672 5.107 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -7.888 -41.013 5.048 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -6.544 -41.049 4.351 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -9.242 -40.573 12.062 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -9.280 -40.173 12.930 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -9.733 -41.390 12.152 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -12.634 -43.457 5.912 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -12.003 -43.486 6.632 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -12.184 -43.882 5.182 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -1.191 -39.172 11.409 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -0.867 -39.803 10.766 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -1.631 -39.707 12.070 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -9.585 -41.616 5.020 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -10.474 -41.516 4.680 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -9.289 -42.458 4.674 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -9.123 -35.864 15.342 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -8.390 -35.610 15.903 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -9.903 -35.660 15.857 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 3.227 -36.723 10.965 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 3.869 -36.266 10.422 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 2.397 -36.610 10.503 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -2.403 -35.672 13.416 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -2.749 -36.053 14.222 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -2.603 -34.738 13.487 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -4.773 -38.583 15.476 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -5.069 -38.749 14.581 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -3.842 -38.803 15.466 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 5.542 -35.165 14.570 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 4.690 -34.927 14.203 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 6.132 -35.182 13.817 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 3.874 -32.179 2.198 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 3.501 -33.005 2.508 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 4.151 -32.362 1.301 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 1.034 -37.371 9.220 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 0.106 -37.603 9.193 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 1.485 -38.148 8.890 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -6.423 -33.043 5.353 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -5.896 -32.270 5.152 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -7.303 -32.818 5.051 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -4.996 -35.380 4.929 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -5.237 -34.455 4.971 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -5.736 -35.839 5.325 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -0.937 -35.132 10.945 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -1.363 -35.359 11.771 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -0.356 -35.870 10.762 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 5.770 -29.723 0.220 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 6.513 -29.137 0.080 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 5.075 -29.155 0.553 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -10.156 -43.347 12.821 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -11.049 -43.008 12.754 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -10.255 -44.202 13.239 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -2.968 -31.823 1.671 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -3.785 -31.326 1.724 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -2.439 -31.348 1.031 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -5.630 -30.780 1.653 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -5.469 -29.980 1.152 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -5.827 -30.473 2.538 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -8.637 -33.654 0.329 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -8.045 -32.955 0.605 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -8.178 -34.087 -0.390 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -10.583 -32.268 4.279 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -11.415 -31.795 4.306 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -10.037 -31.758 3.680 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 1.999 -31.411 -1.162 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 2.282 -32.205 -0.709 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 2.739 -31.178 -1.723 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -11.387 -35.845 16.563 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -11.243 -36.747 16.277 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -12.160 -35.559 16.075 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -4.732 -35.875 15.996 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -5.060 -35.604 15.138 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -4.580 -36.816 15.908 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 1.003 -35.959 13.379 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 1.748 -35.371 13.259 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 0.246 -35.377 13.442 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -10.555 -38.645 15.983 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -10.147 -39.502 15.862 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -10.815 -38.630 16.904 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -6.608 -39.636 13.357 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -7.226 -38.961 13.638 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -6.264 -39.315 12.524 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -1.588 -37.165 16.635 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -0.635 -37.081 16.607 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -1.748 -37.876 17.254 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -4.274 -38.472 12.172 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -3.523 -38.628 11.599 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -4.613 -37.620 11.896 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 1.458 -37.868 15.278 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 1.177 -37.159 14.700 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 2.401 -37.941 15.127 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -4.928 -28.595 0.265 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -3.995 -28.437 0.409 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -5.192 -27.920 -0.360 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -11.360 -33.959 -0.252 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -10.446 -33.880 0.021 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -11.353 -34.646 -0.919 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 3.722 -34.319 17.170 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.856 -34.424 17.564 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 4.098 -33.560 17.617 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 5.176 -35.224 9.456 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 6.010 -35.602 9.175 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 5.288 -34.281 9.337 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 3.663 -32.346 11.763 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 3.015 -32.021 12.388 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 3.145 -32.786 11.088 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 4.060 -37.518 14.710 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 4.643 -38.252 14.901 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 4.624 -36.746 14.756 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -12.163 -42.139 15.222 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -11.244 -42.261 15.458 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -12.613 -42.889 15.611 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -10.942 -43.827 8.113 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -10.497 -44.619 8.415 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -10.476 -43.111 8.544 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -12.638 -40.828 9.182 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -12.146 -41.049 8.392 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -12.276 -39.987 9.463 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -8.257 -31.093 7.597 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -8.476 -32.009 7.766 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -7.433 -30.953 8.063 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -11.147 -30.579 2.113 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -11.832 -30.617 1.445 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -11.144 -29.666 2.401 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -2.283 -29.369 0.510 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -1.417 -29.003 0.332 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -2.530 -29.809 -0.303 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 4.426 -29.806 3.190 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 4.232 -30.554 2.625 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 4.387 -29.048 2.606 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -9.329 -29.659 -0.862 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -9.597 -29.372 0.011 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -8.558 -30.205 -0.710 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -0.806 -37.169 24.226 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -0.717 -36.225 24.094 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -1.445 -37.444 23.568 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -1.873 -37.914 27.645 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -1.911 -38.560 28.350 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -2.196 -38.380 26.874 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 1.833 -34.975 25.947 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 1.392 -35.695 26.397 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 1.820 -34.254 26.577 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -8.581 -33.849 27.773 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -8.951 -34.651 27.404 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -7.640 -34.018 27.820 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -3.484 -35.481 28.051 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -3.180 -36.167 27.457 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -2.762 -35.363 28.669 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -5.412 -39.039 25.629 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -4.796 -39.565 26.138 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -5.998 -39.679 25.225 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -5.809 -36.392 30.013 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -6.549 -35.794 30.116 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -5.095 -35.838 29.697 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -7.401 -34.428 30.800 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -7.407 -33.549 30.422 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -8.255 -34.511 31.225 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -11.280 -34.757 21.582 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -11.552 -34.528 20.693 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -11.235 -33.919 22.042 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 2.345 -33.135 28.295 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 1.403 -33.077 28.456 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 2.621 -32.229 28.158 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 3.442 -34.887 31.906 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 3.582 -35.478 31.167 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 3.610 -34.014 31.550 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -2.085 -37.925 21.678 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -2.797 -37.390 21.327 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -1.394 -37.869 21.018 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -2.031 -39.467 18.717 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -1.330 -39.445 19.368 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -1.729 -40.095 18.061 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 1.321 -37.715 22.630 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 0.589 -37.487 23.203 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 1.768 -38.429 23.085 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -7.034 -37.085 24.513 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -7.364 -37.455 23.694 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -6.446 -37.755 24.859 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -6.667 -38.316 28.146 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -6.102 -38.195 27.383 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -6.348 -37.679 28.785 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -5.787 -33.917 32.863 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -6.099 -33.135 33.319 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -6.437 -34.070 32.177 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 0.192 -38.553 20.315 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 0.771 -38.403 21.062 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 0.606 -38.082 19.592 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -7.548 -31.845 33.627 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -7.540 -31.981 32.679 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -8.464 -31.963 33.879 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -8.044 -38.015 22.102 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -8.336 -37.247 21.611 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -8.718 -38.675 21.939 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 5.080 -32.437 18.505 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 5.153 -31.498 18.675 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 5.985 -32.742 18.448 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -11.951 -35.652 30.917 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -12.452 -35.680 30.102 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -11.945 -36.558 31.227 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 5.997 -32.206 33.483 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 5.948 -33.161 33.446 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 5.171 -31.938 33.885 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -9.702 -34.329 31.960 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -9.485 -34.690 32.820 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -10.557 -34.703 31.750 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 1.669 -37.520 17.945 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 1.711 -37.743 17.015 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 2.518 -37.122 18.135 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -1.459 -40.256 22.780 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -1.868 -39.441 22.488 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -0.739 -40.396 22.165 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 3.279 -28.338 34.590 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 3.479 -27.914 33.755 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 3.935 -27.995 35.197 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -9.123 -35.864 34.198 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -8.390 -35.610 34.759 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -9.903 -35.660 34.713 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 3.227 -36.723 29.821 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 3.869 -36.266 29.278 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 2.397 -36.610 29.359 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -2.403 -35.672 32.272 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -2.749 -36.053 33.078 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -2.603 -34.738 32.343 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -8.798 -36.561 26.804 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -8.053 -36.563 26.203 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -8.720 -37.385 27.286 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -11.790 -38.100 32.119 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -11.567 -38.518 32.951 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -12.392 -38.713 31.697 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 1.034 -37.371 28.076 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 0.106 -37.603 28.049 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 1.485 -38.148 27.746 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -6.423 -33.043 24.209 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -5.896 -32.270 24.008 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -7.303 -32.818 23.907 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -10.668 -38.181 18.796 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -10.052 -37.554 19.175 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -11.530 -37.865 19.067 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -4.996 -35.380 23.785 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -5.237 -34.455 23.827 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -5.736 -35.839 24.181 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -0.937 -35.132 29.801 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -1.363 -35.359 30.627 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -0.356 -35.870 29.618 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 1.722 -30.580 32.270 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 1.120 -31.135 31.775 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 2.003 -29.913 31.644 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -9.253 -36.268 20.288 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -9.939 -35.916 20.855 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -8.730 -35.505 20.042 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -10.321 -40.990 18.301 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -10.366 -40.051 18.480 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -11.209 -41.226 18.031 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -6.697 -30.736 36.085 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -5.929 -31.195 36.426 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -6.718 -30.962 35.155 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -0.120 -32.356 34.814 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -0.471 -33.212 35.057 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 0.606 -32.213 35.421 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -11.387 -35.845 35.419 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -11.243 -36.747 35.133 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -12.160 -35.559 34.931 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -7.046 -35.501 17.551 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -6.982 -36.295 18.082 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -6.393 -35.620 16.862 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -4.732 -35.875 34.852 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -5.060 -35.604 33.994 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -4.580 -36.816 34.764 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 1.003 -35.959 32.235 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 1.748 -35.371 32.115 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 0.246 -35.377 32.298 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -5.897 -37.529 19.857 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -6.356 -38.013 20.543 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -5.642 -38.197 19.221 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -4.826 -39.286 18.120 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -5.006 -39.440 17.192 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -3.875 -39.178 18.164 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 4.564 -36.931 17.565 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 4.291 -37.356 16.752 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 4.604 -36.000 17.348 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -4.274 -38.472 31.028 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -3.523 -38.628 30.455 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -4.613 -37.620 30.752 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 5.708 -29.676 28.466 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 5.686 -29.491 29.405 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 6.398 -29.107 28.125 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 5.271 -30.109 31.388 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 4.784 -30.844 31.017 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 5.820 -30.502 32.066 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 5.023 -36.062 21.540 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 5.873 -35.641 21.668 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 5.028 -36.802 22.148 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 5.417 -38.009 23.364 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 4.691 -38.488 23.762 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 5.998 -37.803 24.096 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 5.176 -35.224 28.312 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 6.010 -35.602 28.031 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 5.288 -34.281 28.193 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 3.663 -32.346 30.619 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 3.015 -32.021 31.244 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 3.145 -32.786 29.944 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 5.685 -38.108 19.755 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 5.164 -37.751 19.036 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 5.652 -37.433 20.433 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 3.204 -39.488 23.927 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 3.054 -40.433 23.907 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 2.850 -39.207 24.771 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -11.761 -37.410 27.937 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -11.577 -37.492 27.002 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -10.912 -37.534 28.361 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -10.169 -32.657 34.581 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -10.990 -32.482 34.121 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -10.421 -32.730 35.502 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 4.426 -29.806 22.046 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 4.232 -30.554 21.481 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 4.387 -29.048 21.462 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 3.644 -31.055 34.196 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.862 -31.241 33.676 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.572 -30.126 34.413 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -2.610 -28.860 41.021 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -2.685 -28.981 40.075 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -2.577 -27.910 41.140 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -8.956 -30.071 42.802 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -8.804 -30.419 43.681 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -9.807 -30.427 42.547 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 0.492 -29.706 38.024 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 0.867 -30.450 37.553 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 0.496 -29.976 38.942 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -6.312 -30.358 42.186 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -7.262 -30.253 42.238 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -5.961 -29.538 42.531 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -4.643 -33.091 36.178 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -4.404 -33.839 35.630 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -4.912 -33.479 37.010 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -5.706 -33.521 38.634 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -5.559 -34.041 39.424 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -5.709 -32.614 38.940 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -2.968 -31.823 39.383 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -3.785 -31.326 39.436 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -2.439 -31.348 38.743 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -5.630 -30.780 39.365 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -5.469 -29.980 38.864 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -5.827 -30.473 40.250 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -8.637 -33.654 38.041 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -8.045 -32.955 38.317 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -8.178 -34.087 37.322 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -10.583 -32.268 41.991 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -11.415 -31.795 42.018 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -10.037 -31.758 41.392 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -2.605 -31.228 36.316 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -3.249 -31.859 36.638 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -1.843 -31.759 36.084 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -1.694 -34.454 36.143 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -1.962 -34.274 37.044 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -1.900 -35.380 36.012 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -11.360 -33.959 37.460 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -10.446 -33.880 37.733 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -11.353 -34.646 36.793 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -12.711 -28.566 42.537 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -13.358 -29.028 42.004 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -12.356 -29.238 43.120 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -11.841 -30.485 44.342 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -12.175 -31.366 44.514 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -11.619 -30.140 45.206 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -11.147 -30.579 39.825 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -11.832 -30.617 39.157 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -11.144 -29.666 40.113 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -2.283 -29.369 38.222 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -1.417 -29.003 38.044 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -2.530 -29.809 37.409 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -9.505 -19.443 -8.474 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -9.463 -20.069 -7.750 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -8.802 -18.820 -8.292 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -1.056 -11.014 -11.553 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -0.436 -11.691 -11.826 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -1.264 -11.232 -10.645 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -3.484 -16.625 -9.661 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -3.180 -17.311 -10.255 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -2.762 -16.507 -9.043 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -8.378 -25.212 -7.987 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -8.597 -24.682 -8.753 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -9.046 -24.985 -7.339 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -5.809 -17.536 -7.699 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -6.549 -16.938 -7.596 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -5.095 -16.982 -8.015 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 2.345 -14.279 -9.417 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 1.403 -14.221 -9.256 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 2.621 -13.373 -9.554 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 0.597 -12.498 -12.792 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 1.022 -13.205 -13.277 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 0.914 -11.697 -13.209 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 3.442 -16.031 -5.806 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 3.582 -16.622 -6.545 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 3.610 -15.158 -6.162 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 1.218 -20.685 -6.014 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 1.298 -19.922 -5.442 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 0.617 -20.406 -6.705 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -5.667 -14.801 -10.518 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -5.762 -15.379 -11.275 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -4.938 -15.172 -10.022 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -6.667 -19.460 -9.566 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -6.102 -19.339 -10.329 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -6.348 -18.823 -8.927 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -0.358 -13.957 -8.832 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -0.599 -13.295 -8.184 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -0.556 -14.791 -8.407 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -2.082 -12.960 -13.962 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -1.608 -12.665 -13.184 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -2.645 -12.222 -14.195 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -11.951 -16.796 -6.795 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -12.452 -16.824 -7.610 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -11.945 -17.702 -6.485 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -12.200 -14.016 -9.911 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -11.254 -14.160 -9.930 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -12.313 -13.232 -9.374 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -2.610 -10.004 -15.547 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -2.685 -10.125 -16.493 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -2.577 -9.054 -15.428 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -8.956 -11.215 -13.766 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -8.804 -11.563 -12.887 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -9.807 -11.571 -14.021 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 3.149 -21.857 -3.749 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 2.742 -21.376 -4.469 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 3.190 -22.762 -4.056 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 0.906 -23.525 -5.528 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 0.392 -23.651 -4.731 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 0.751 -22.613 -5.773 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -6.992 -22.037 -8.661 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -7.634 -22.078 -7.952 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -6.955 -21.111 -8.899 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -2.357 -21.225 -3.444 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -2.920 -21.929 -3.124 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -1.531 -21.345 -2.977 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -9.242 -21.717 -6.794 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -9.280 -21.317 -5.926 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -9.733 -22.534 -6.704 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -1.191 -20.316 -7.447 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -0.867 -20.947 -8.090 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -1.631 -20.851 -6.786 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -4.467 -23.213 -8.362 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -5.302 -22.759 -8.252 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -3.943 -22.937 -7.610 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 3.227 -17.867 -7.891 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 3.869 -17.410 -8.434 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 2.397 -17.754 -8.353 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -2.403 -16.816 -5.440 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.749 -17.197 -4.634 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -2.603 -15.882 -5.369 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -8.798 -17.705 -10.908 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -8.053 -17.707 -11.509 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -8.720 -18.529 -10.426 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -11.790 -19.244 -5.593 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -11.567 -19.662 -4.761 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -12.392 -19.857 -6.015 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -0.153 -14.354 -5.490 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -1.054 -14.171 -5.758 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -0.119 -14.095 -4.569 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 5.542 -16.309 -4.286 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 4.690 -16.071 -4.653 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 6.132 -16.326 -5.039 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -6.423 -14.187 -13.503 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -5.896 -13.414 -13.704 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -7.303 -13.962 -13.805 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -6.312 -11.502 -14.382 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -7.262 -11.397 -14.330 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -5.961 -10.682 -14.037 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -0.937 -16.276 -7.911 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -1.363 -16.503 -7.085 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -0.356 -17.014 -8.094 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -10.156 -24.491 -6.035 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -11.049 -24.152 -6.102 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -10.255 -25.346 -5.617 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -2.901 -22.384 -6.028 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -2.782 -21.810 -5.271 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -2.246 -23.072 -5.913 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -10.583 -13.412 -14.577 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -11.415 -12.939 -14.550 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -10.037 -12.902 -15.176 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 1.003 -17.103 -5.477 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 1.748 -16.515 -5.597 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 0.246 -16.521 -5.414 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -6.268 -23.425 -4.416 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -6.118 -24.154 -5.019 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.266 -22.648 -4.975 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -5.856 -25.055 -6.924 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -5.320 -24.604 -7.576 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -6.708 -25.163 -7.346 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -4.274 -19.616 -6.684 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -3.523 -19.772 -7.257 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -4.613 -18.764 -6.960 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 0.142 -21.801 -1.656 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 0.334 -22.732 -1.767 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 0.999 -21.376 -1.666 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -3.786 -23.277 -2.929 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -4.022 -23.497 -2.027 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -4.569 -23.484 -3.438 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -1.070 -24.150 -3.853 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -2.018 -24.118 -3.721 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -0.758 -24.775 -3.199 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 0.564 -25.516 -1.848 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 0.467 -26.468 -1.854 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 0.242 -25.247 -0.987 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -9.609 -24.306 -2.800 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -9.398 -25.013 -3.411 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -9.721 -24.744 -1.956 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -4.475 -26.622 -1.767 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -4.606 -27.098 -2.588 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -5.074 -25.878 -1.823 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -11.841 -11.629 -12.226 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -12.175 -12.510 -12.054 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -11.619 -11.284 -11.362 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 3.722 -15.463 -1.686 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 2.856 -15.568 -1.292 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 4.098 -14.704 -1.239 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 5.176 -16.368 -9.400 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 6.010 -16.746 -9.681 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 5.288 -15.425 -9.519 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -11.761 -18.554 -9.775 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -11.577 -18.636 -10.710 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -10.912 -18.678 -9.351 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 4.060 -18.662 -4.146 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 4.643 -19.396 -3.955 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 4.624 -17.890 -4.100 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 5.557 -20.759 -3.462 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 4.694 -21.138 -3.627 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 6.161 -21.498 -3.536 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -12.163 -23.283 -3.634 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -11.244 -23.405 -3.398 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -12.613 -24.033 -3.245 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 2.446 -10.730 -13.674 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 3.099 -11.077 -14.282 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 2.957 -10.241 -13.028 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -10.398 -10.947 -9.914 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -10.417 -11.372 -9.057 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -9.593 -11.265 -10.323 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -8.257 -12.237 -11.259 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -8.476 -13.153 -11.090 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -7.433 -12.097 -10.793 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -9.927 -26.955 -3.927 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -10.293 -27.720 -3.484 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -9.014 -26.926 -3.640 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -7.954 -27.604 -2.391 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -7.055 -27.878 -2.576 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -8.340 -28.347 -1.927 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 0.468 -28.272 -2.209 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 0.544 -28.698 -1.355 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 1.361 -28.258 -2.551 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 3.890 -27.947 1.272 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 2.991 -27.808 1.567 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 4.142 -27.116 0.870 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 5.080 -13.581 -0.351 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 5.153 -12.642 -0.181 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 5.985 -13.886 -0.408 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -2.610 -10.004 3.309 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.685 -10.125 2.363 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -2.577 -9.054 3.428 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 0.492 -10.850 0.312 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 0.867 -11.594 -0.159 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 0.496 -11.120 1.230 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 0.161 -10.924 3.061 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -0.774 -10.824 3.240 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.441 -11.633 3.639 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -2.758 -24.788 -0.241 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -3.012 -24.769 0.682 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -3.015 -25.660 -0.542 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -5.876 -24.343 -1.140 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -6.307 -24.788 -0.410 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -6.594 -23.971 -1.652 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 5.578 -22.109 1.733 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 5.024 -22.505 1.061 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 5.679 -21.199 1.456 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 5.770 -10.867 0.220 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 6.513 -10.281 0.080 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 5.075 -10.299 0.553 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -6.896 -25.226 1.269 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -6.979 -24.337 1.615 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -6.006 -25.491 1.500 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -10.321 -22.134 -0.555 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -10.366 -21.195 -0.376 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -11.209 -22.370 -0.825 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 1.999 -12.555 -1.162 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 2.282 -13.349 -0.709 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 2.739 -12.322 -1.723 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 4.564 -18.075 -1.291 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 4.291 -18.500 -2.104 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 4.604 -17.144 -1.508 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -12.711 -9.710 4.825 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -13.358 -10.172 4.292 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -12.356 -10.382 5.408 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 5.708 -10.820 9.610 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 5.686 -10.635 10.549 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 6.398 -10.251 9.269 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 5.685 -19.252 0.899 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 5.164 -18.895 0.180 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 5.652 -18.577 1.577 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 4.034 -22.012 -0.550 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 4.131 -21.345 -1.230 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 3.894 -22.828 -1.032 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.282 -24.604 -1.433 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 3.892 -24.976 -0.796 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 2.445 -25.026 -1.237 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 5.394 -25.719 0.110 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 5.807 -26.440 -0.366 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 6.076 -25.049 0.168 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 2.446 -10.730 5.182 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 3.099 -11.077 4.574 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 2.957 -10.241 5.828 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.813 -9.570 12.031 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -10.533 -9.130 11.580 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.179 -9.821 12.880 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -7.346 -9.970 11.061 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -8.211 -9.898 11.465 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -7.401 -9.423 10.277 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -9.187 -25.755 -0.342 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -8.696 -26.385 -0.870 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -8.564 -25.459 0.321 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 4.426 -10.950 3.190 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 4.232 -11.698 2.625 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 4.387 -10.192 2.606 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -8.581 -14.993 27.773 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -8.951 -15.795 27.404 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -7.640 -15.162 27.820 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -3.484 -16.625 28.051 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -3.180 -17.311 27.457 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -2.762 -16.507 28.669 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 5.179 -25.024 28.912 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 5.228 -24.414 29.648 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 5.605 -24.563 28.189 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 5.571 -23.546 31.148 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 4.882 -22.888 31.053 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 5.586 -23.743 32.085 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -7.401 -15.572 30.800 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -7.407 -14.693 30.422 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -8.255 -15.655 31.225 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 2.645 -25.993 29.712 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 1.909 -25.382 29.674 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 3.329 -25.578 29.186 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -5.667 -14.801 27.194 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -5.762 -15.379 26.437 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -4.938 -15.172 27.690 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -5.787 -15.061 32.863 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -6.099 -14.279 33.319 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -6.437 -15.214 32.177 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -7.548 -12.989 33.627 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -7.540 -13.125 32.679 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -8.464 -13.107 33.879 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -12.200 -14.016 27.801 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -11.254 -14.160 27.782 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -12.313 -13.232 28.338 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 5.997 -13.350 33.483 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 5.948 -14.305 33.446 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 5.171 -13.082 33.885 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -3.024 -13.776 32.359 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -2.937 -12.950 32.834 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -3.888 -14.106 32.608 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -8.956 -11.215 23.946 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -8.804 -11.563 24.825 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -9.807 -11.571 23.691 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 3.149 -21.857 33.963 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 2.742 -21.376 33.243 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 3.190 -22.762 33.656 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -9.702 -15.473 31.960 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -9.485 -15.834 32.820 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -10.557 -15.847 31.750 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -0.153 -14.354 32.222 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -1.054 -14.171 31.954 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -0.119 -14.095 33.143 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 5.542 -16.309 33.426 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 4.690 -16.071 33.059 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 6.132 -16.326 32.673 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -4.481 -12.375 30.100 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -4.118 -11.520 29.867 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -3.949 -12.667 30.841 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 1.722 -11.724 32.270 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 1.120 -12.279 31.775 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 2.003 -11.057 31.644 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -10.505 -12.686 30.112 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -10.288 -13.618 30.081 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -10.258 -12.412 30.996 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 3.303 -24.477 32.519 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 2.387 -24.214 32.431 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 3.639 -24.480 31.622 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 2.992 -11.470 28.237 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 2.836 -10.792 27.580 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 3.924 -11.398 28.440 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -0.120 -13.500 34.814 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.471 -14.356 35.057 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 0.606 -13.357 35.421 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -11.387 -16.989 35.419 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -11.243 -17.891 35.133 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -12.160 -16.703 34.931 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -4.732 -17.019 34.852 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -5.060 -16.748 33.994 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -4.580 -17.960 34.764 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -10.555 -19.789 34.839 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -10.147 -20.646 34.718 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -10.815 -19.774 35.760 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 0.564 -25.516 35.864 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 0.467 -26.468 35.858 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 0.242 -25.247 36.725 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -12.711 -9.710 23.681 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -13.358 -10.172 23.148 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -12.356 -10.382 24.264 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -11.841 -11.629 25.486 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -12.175 -12.510 25.658 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -11.619 -11.284 26.350 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 5.708 -10.820 28.466 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 5.686 -10.635 29.405 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 6.398 -10.251 28.125 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 5.271 -11.253 31.388 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 4.784 -11.988 31.017 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 5.820 -11.646 32.066 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 3.722 -15.463 36.026 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 2.856 -15.568 36.420 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 4.098 -14.704 36.473 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 3.663 -13.490 30.619 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 3.015 -13.165 31.244 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 3.145 -13.930 29.944 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 5.557 -20.759 34.250 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 4.694 -21.138 34.085 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 6.161 -21.498 34.176 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 5.838 -27.751 35.955 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 6.188 -28.405 35.349 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 5.985 -26.914 35.515 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 5.358 -25.642 34.304 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 4.441 -25.371 34.268 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 5.481 -26.177 33.520 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -10.169 -13.801 34.581 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -10.990 -13.626 34.121 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -10.421 -13.874 35.502 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -7.215 -12.826 30.840 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -7.640 -12.017 30.557 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -6.310 -12.741 30.538 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -2.904 -11.427 33.799 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -2.719 -11.761 34.677 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -2.057 -11.118 33.477 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 4.359 -27.552 32.123 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 3.546 -27.227 31.735 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 4.592 -28.312 31.590 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -7.346 -9.970 29.917 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -8.211 -9.898 30.321 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -7.401 -9.423 29.133 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -2.635 -10.082 29.093 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -3.092 -9.553 28.439 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -2.472 -9.479 29.818 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -0.308 -11.204 30.038 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -1.212 -11.039 29.772 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 0.121 -10.351 29.972 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 2.297 -9.634 30.333 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 2.115 -8.718 30.122 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 2.473 -10.044 29.486 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -10.398 -10.947 27.798 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -10.417 -11.372 28.655 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -9.593 -11.265 27.389 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -8.257 -12.237 26.453 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -8.476 -13.153 26.622 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -7.433 -12.097 26.919 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -5.720 -11.767 27.301 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -5.507 -12.655 27.014 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -5.655 -11.801 28.256 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 0.468 -28.272 35.503 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 0.544 -28.698 36.357 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 1.361 -28.258 35.161 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 3.644 -12.199 34.196 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 2.862 -12.385 33.676 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 3.572 -11.270 34.413 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -11.971 -21.333 42.022 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -12.419 -20.487 42.004 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -12.532 -21.913 41.507 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -7.188 -24.130 44.507 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -7.145 -23.270 44.089 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -7.646 -24.682 43.874 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -10.568 -21.733 45.269 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -9.914 -22.283 45.701 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.544 -22.007 44.353 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -2.085 -19.069 40.534 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -2.797 -18.534 40.183 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -1.394 -19.013 39.874 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 0.192 -19.697 39.171 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 0.771 -19.547 39.918 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 0.606 -19.226 38.448 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -8.044 -19.159 40.958 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -8.336 -18.391 40.467 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -8.718 -19.819 40.795 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 1.669 -18.664 36.801 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 1.711 -18.887 35.871 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.518 -18.266 36.991 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -6.995 -21.816 42.819 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -7.888 -22.157 42.760 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -6.544 -22.193 42.063 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -1.459 -21.400 41.636 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -1.868 -20.585 41.344 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.739 -21.540 41.021 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -12.634 -24.601 43.624 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -12.003 -24.630 44.344 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -12.184 -25.026 42.894 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -4.413 -24.389 43.905 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -5.324 -24.332 44.194 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -3.908 -24.449 44.716 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -9.585 -22.760 42.732 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -10.474 -22.660 42.392 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -9.289 -23.602 42.386 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -5.932 -22.760 40.388 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -5.000 -22.631 40.566 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -6.147 -22.090 39.739 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -8.091 -25.465 42.210 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -8.408 -26.367 42.175 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -7.310 -25.463 41.658 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -3.923 -17.000 39.891 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -4.667 -17.507 39.568 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -4.057 -16.951 40.837 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -0.025 -24.186 38.090 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -0.963 -24.074 37.939 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 0.272 -23.329 38.396 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 0.693 -22.319 39.751 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 1.585 -22.456 40.070 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 0.750 -21.528 39.214 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -1.797 -15.541 38.916 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -2.092 -14.715 39.298 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -2.500 -16.161 39.112 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -10.668 -19.325 37.652 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -10.052 -18.698 38.031 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -11.530 -19.009 37.923 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 1.266 -15.347 37.731 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 1.619 -15.727 38.535 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 0.317 -15.440 37.817 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 2.132 -16.674 39.957 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 1.855 -17.402 40.513 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 3.059 -16.555 40.163 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -4.643 -14.235 36.178 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -4.404 -14.983 35.630 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -4.912 -14.623 37.010 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -9.253 -17.412 39.144 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -9.939 -17.060 39.711 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -8.730 -16.649 38.898 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -0.637 -25.098 40.520 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -0.417 -24.626 39.717 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -0.079 -24.703 41.191 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -3.437 -23.370 41.355 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -2.625 -22.866 41.401 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -3.682 -23.515 42.269 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -2.553 -26.289 42.293 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -2.900 -25.671 42.938 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -1.895 -25.788 41.812 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -9.513 -27.352 45.830 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -9.742 -27.293 44.903 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -9.956 -28.144 46.137 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -2.605 -12.372 36.316 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -3.249 -13.003 36.638 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -1.843 -12.903 36.084 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 1.999 -12.555 36.550 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 2.282 -13.349 37.003 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 2.739 -12.322 35.989 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -7.046 -16.645 36.407 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -6.982 -17.439 36.938 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -6.393 -16.764 35.718 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -1.694 -15.598 36.143 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -1.962 -15.418 37.044 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -1.900 -16.524 36.012 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -5.897 -18.673 38.713 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -6.356 -19.157 39.399 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -5.642 -19.341 38.077 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -4.826 -20.430 36.976 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -5.006 -20.584 36.048 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -3.875 -20.322 37.020 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 4.564 -18.075 36.421 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 4.291 -18.500 35.608 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 4.604 -17.144 36.204 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 4.034 -22.012 37.162 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 4.131 -21.345 36.482 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 3.894 -22.828 36.680 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 3.282 -24.604 36.279 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 3.892 -24.976 36.916 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 2.445 -25.026 36.475 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -10.942 -24.971 45.825 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -10.497 -25.763 46.127 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -10.476 -24.255 46.256 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -9.885 -27.469 43.124 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -10.662 -27.703 42.616 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -9.354 -28.266 43.132 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -5.305 -27.542 42.937 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -4.431 -27.154 42.907 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -5.441 -27.757 43.860 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 1.605 -27.486 40.279 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 0.902 -26.872 40.069 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 1.160 -28.324 40.410 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -4.161 -25.462 39.827 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -3.983 -26.108 40.510 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -4.215 -24.628 40.294 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -0.806 0.543 -13.486 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -0.717 1.487 -13.618 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -1.445 0.268 -14.144 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -1.873 -0.202 -10.067 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -1.911 -0.848 -9.362 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -2.196 -0.668 -10.838 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -3.484 2.231 -9.661 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -3.180 1.545 -10.255 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -2.762 2.349 -9.043 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -7.188 -5.274 -12.061 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -7.145 -4.414 -12.479 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -7.646 -5.826 -12.694 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 0.534 -5.143 -13.660 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 1.180 -5.472 -13.035 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 1.044 -4.625 -14.283 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -5.412 -1.327 -12.083 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -4.796 -1.853 -11.574 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -5.998 -1.967 -12.487 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -8.378 -6.356 -7.987 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -8.597 -5.826 -8.753 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -9.046 -6.129 -7.339 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -5.809 1.320 -7.699 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -6.549 1.918 -7.596 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -5.095 1.874 -8.015 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -8.784 -4.464 -10.034 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -8.171 -3.831 -9.661 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -8.272 -4.936 -10.691 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 2.345 4.577 -9.417 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 1.403 4.635 -9.256 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 2.621 5.483 -9.554 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -6.667 -0.604 -9.566 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -6.102 -0.483 -10.329 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -6.348 0.033 -8.927 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -0.358 4.899 -8.832 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -0.599 5.561 -8.184 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -0.556 4.065 -8.407 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -8.867 -0.007 -5.620 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -8.797 0.644 -4.922 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -9.758 0.096 -5.955 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -3.024 5.080 -5.353 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -2.937 5.906 -4.878 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -3.888 4.750 -5.104 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -6.992 -3.181 -8.661 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -7.634 -3.222 -7.952 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -6.955 -2.255 -8.899 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -6.995 -2.960 -13.749 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -7.888 -3.301 -13.808 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -6.544 -3.337 -14.505 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -1.459 -2.544 -14.932 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -1.868 -1.729 -15.224 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -0.739 -2.684 -15.547 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -2.357 -2.369 -3.444 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -2.920 -3.073 -3.124 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -1.531 -2.489 -2.977 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -0.455 -3.098 -12.118 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -0.650 -2.493 -12.833 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -0.273 -3.932 -12.553 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -9.242 -2.861 -6.794 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -9.280 -2.461 -5.926 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -9.733 -3.678 -6.704 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -1.191 -1.460 -7.447 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -0.867 -2.091 -8.090 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -1.631 -1.995 -6.786 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -9.585 -3.904 -13.836 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -10.474 -3.804 -14.176 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -9.289 -4.746 -14.182 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -5.932 -3.904 -16.180 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -5.000 -3.775 -16.002 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -6.147 -3.234 -16.829 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 3.279 9.374 -3.122 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 3.479 9.798 -3.957 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 3.935 9.717 -2.515 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -8.091 -6.609 -14.358 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -8.408 -7.511 -14.393 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -7.310 -6.607 -14.910 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 3.227 0.989 -7.891 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 3.869 1.446 -8.434 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 2.397 1.102 -8.353 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.403 2.040 -5.440 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -2.749 1.659 -4.634 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.603 2.974 -5.369 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -4.773 -0.871 -3.380 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -5.069 -1.037 -4.275 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -3.842 -1.091 -3.390 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -0.153 4.502 -5.490 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -1.054 4.685 -5.758 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -0.119 4.761 -4.569 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 1.034 0.341 -9.636 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 0.106 0.109 -9.663 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 1.485 -0.436 -9.966 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -0.937 2.580 -7.911 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -1.363 2.353 -7.085 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -0.356 1.842 -8.094 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 1.722 7.132 -5.442 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 1.120 6.577 -5.937 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 2.003 7.799 -6.068 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -10.156 -5.635 -6.035 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -11.049 -5.296 -6.102 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -10.255 -6.490 -5.617 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -0.637 -6.242 -16.048 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -0.417 -5.770 -16.851 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -0.079 -5.847 -15.377 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -3.437 -4.514 -15.213 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -2.625 -4.010 -15.167 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -3.682 -4.659 -14.299 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -2.553 -7.433 -14.275 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -2.900 -6.815 -13.630 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -1.895 -6.932 -14.756 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 1.905 -1.870 -11.097 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 1.108 -2.285 -11.426 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 2.350 -2.561 -10.606 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 2.992 7.386 -9.475 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 2.836 8.064 -10.132 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 3.924 7.458 -9.272 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -9.513 -8.496 -10.738 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -9.742 -8.437 -11.665 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -9.956 -9.288 -10.431 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -0.120 5.356 -2.898 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -0.471 4.500 -2.655 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 0.606 5.499 -2.291 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -4.732 1.837 -2.860 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -5.060 2.108 -3.718 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -4.580 0.896 -2.948 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 1.003 1.753 -5.477 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 1.748 2.341 -5.597 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 0.246 2.335 -5.414 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -10.555 -0.933 -2.873 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -10.147 -1.790 -2.994 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -10.815 -0.918 -1.952 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -6.608 -1.924 -5.499 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -7.226 -1.249 -5.218 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -6.264 -1.603 -6.332 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -6.268 -4.569 -4.416 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -6.118 -5.298 -5.019 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -6.266 -3.792 -4.975 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -4.274 -0.760 -6.684 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -3.523 -0.916 -7.257 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -4.613 0.092 -6.960 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 5.708 8.036 -9.246 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 5.686 8.221 -8.307 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 6.398 8.605 -9.587 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 5.271 7.603 -6.324 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 4.784 6.868 -6.695 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 5.820 7.210 -5.646 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 5.417 -0.297 -14.348 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 4.691 -0.776 -13.950 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 5.998 -0.091 -13.616 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.176 2.488 -9.400 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 6.010 2.110 -9.681 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.288 3.431 -9.519 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 3.663 5.366 -7.093 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 3.015 5.691 -6.468 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 3.145 4.926 -7.768 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 3.204 -1.776 -13.785 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 3.054 -2.721 -13.805 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 2.850 -1.495 -12.941 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 2.914 -4.193 -15.323 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 3.194 -5.100 -15.198 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 3.673 -3.759 -15.712 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -12.163 -4.427 -3.634 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -11.244 -4.549 -3.398 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -12.613 -5.177 -3.245 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 3.528 -6.930 -15.274 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 3.710 -7.379 -14.449 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 2.928 -7.515 -15.738 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -10.942 -6.115 -10.743 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -10.497 -6.907 -10.441 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -10.476 -5.399 -10.312 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -12.361 -8.120 -7.275 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -13.026 -8.366 -6.632 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -12.804 -7.498 -7.852 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -2.904 7.429 -3.913 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -2.719 7.095 -3.035 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -2.057 7.738 -4.235 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -0.559 8.714 -4.669 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 0.118 8.082 -4.909 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -0.237 9.116 -3.861 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -0.308 7.652 -7.674 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -1.212 7.817 -7.940 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 0.121 8.505 -7.740 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 2.297 9.222 -7.379 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 2.115 10.138 -7.590 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 2.473 8.812 -8.226 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 2.931 -9.140 -11.154 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 3.535 -8.592 -11.655 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 2.062 -8.820 -11.394 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 4.658 -8.001 -12.820 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 5.270 -8.515 -13.347 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 5.041 -7.123 -12.797 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -9.885 -8.613 -13.444 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -10.662 -8.847 -13.952 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -9.354 -9.410 -13.436 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -5.305 -8.686 -13.631 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -4.431 -8.298 -13.661 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -5.441 -8.901 -12.708 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 0.252 -8.656 -11.982 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 0.328 -8.561 -12.931 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -0.024 -9.564 -11.853 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -4.161 -6.606 -16.741 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -3.983 -7.252 -16.058 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -4.215 -5.772 -16.274 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -0.806 0.543 5.370 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -0.717 1.487 5.238 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -1.445 0.268 4.712 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 1.833 2.737 7.091 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 1.392 2.017 7.541 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 1.820 3.458 7.721 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -11.971 -2.477 4.310 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -12.419 -1.631 4.292 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -12.532 -3.057 3.795 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 5.179 -6.168 10.056 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 5.228 -5.558 10.792 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 5.605 -5.707 9.333 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -0.343 -3.375 9.523 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -0.200 -4.322 9.543 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -0.449 -3.168 8.594 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -7.188 -5.274 6.795 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -7.145 -4.414 6.377 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -7.646 -5.826 6.162 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 0.534 -5.143 5.196 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 1.180 -5.472 5.821 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 1.044 -4.625 4.573 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -10.568 -2.877 7.557 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -9.914 -3.427 7.989 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -10.544 -3.151 6.641 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -8.378 -6.356 10.869 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -8.597 -5.826 10.103 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -9.046 -6.129 11.517 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -1.009 3.144 4.413 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -1.305 2.822 3.562 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -1.333 4.044 4.455 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 2.298 -5.852 7.177 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 2.083 -6.618 7.709 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 2.954 -5.380 7.690 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.645 -7.137 10.856 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 1.909 -6.526 10.818 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 3.329 -6.722 10.330 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -4.352 -9.050 8.322 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -4.469 -9.999 8.268 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -5.207 -8.718 8.595 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 1.756 4.259 4.573 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 1.499 3.569 3.961 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 1.827 3.816 5.418 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -2.085 -0.213 2.822 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -2.797 0.322 2.471 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -1.394 -0.157 2.162 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 3.890 -9.091 1.272 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 2.991 -8.952 1.567 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 4.142 -8.260 0.870 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -8.044 -0.303 3.246 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -8.336 0.465 2.755 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -8.718 -0.963 3.083 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 0.492 8.006 0.312 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 0.867 7.262 -0.159 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 0.496 7.736 1.230 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 0.161 7.932 3.061 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -0.774 8.032 3.240 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 0.441 7.223 3.639 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -7.083 -8.147 9.100 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -7.944 -8.234 8.692 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -7.105 -7.291 9.527 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 0.906 -4.669 13.328 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 0.392 -4.795 14.125 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 0.751 -3.757 13.083 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -6.995 -2.960 5.107 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -7.888 -3.301 5.048 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -6.544 -3.337 4.351 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -1.459 -2.544 3.924 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -1.868 -1.729 3.632 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -0.739 -2.684 3.309 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -2.357 -2.369 15.412 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -2.920 -3.073 15.732 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -1.531 -2.489 15.879 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -0.455 -3.098 6.738 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -0.650 -2.493 6.023 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -0.273 -3.932 6.303 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -12.634 -5.745 5.912 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -12.003 -5.774 6.632 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -12.184 -6.170 5.182 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -4.413 -5.533 6.193 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -5.324 -5.476 6.482 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -3.908 -5.593 7.004 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -9.585 -3.904 5.020 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -10.474 -3.804 4.680 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -9.289 -4.746 4.674 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -0.008 -6.298 9.457 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -0.685 -6.167 10.121 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -0.494 -6.453 8.647 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -4.467 -4.357 10.494 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -5.302 -3.903 10.604 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -3.943 -4.081 11.246 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -3.923 1.856 2.179 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -4.667 1.349 1.856 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -4.057 1.905 3.125 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -1.797 3.315 1.204 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -2.092 4.141 1.586 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -2.500 2.695 1.400 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 3.874 5.533 2.198 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 3.501 4.707 2.508 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 4.151 5.350 1.301 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.668 -0.469 -0.060 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -10.052 0.158 0.319 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -11.530 -0.153 0.211 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 5.770 7.989 0.220 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 6.513 8.575 0.080 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 5.075 8.557 0.553 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -10.156 -5.635 12.821 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -11.049 -5.296 12.754 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -10.255 -6.490 13.239 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -4.643 4.621 -1.534 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -4.404 3.873 -2.082 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -4.912 4.233 -0.702 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -9.253 1.444 1.432 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -9.939 1.796 1.999 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -8.730 2.207 1.186 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -1.421 -5.894 11.711 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -0.723 -5.820 12.361 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -1.802 -6.758 11.866 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -0.637 -6.242 2.808 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -0.417 -5.770 2.005 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -0.079 -5.847 3.479 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -2.968 5.889 1.671 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -3.785 6.386 1.724 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -2.439 6.364 1.031 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -3.437 -4.514 3.643 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -2.625 -4.010 3.689 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -3.682 -4.659 4.557 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -2.901 -3.528 12.828 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -2.782 -2.954 13.585 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -2.246 -4.216 12.943 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -2.553 -7.433 4.581 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -2.900 -6.815 5.226 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -1.895 -6.932 4.100 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 3.303 -5.621 13.663 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 2.387 -5.358 13.575 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 3.639 -5.624 12.766 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -9.513 -8.496 8.118 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -9.742 -8.437 7.191 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -9.956 -9.288 8.425 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -2.605 6.484 -1.396 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.249 5.853 -1.074 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -1.843 5.953 -1.628 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -1.694 3.258 -1.569 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -1.962 3.438 -0.668 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -1.900 2.332 -1.700 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -5.897 0.183 1.001 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -6.356 -0.301 1.687 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -5.642 -0.485 0.365 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -4.826 -1.574 -0.736 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -5.006 -1.728 -1.664 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -3.875 -1.466 -0.692 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -6.268 -4.569 14.440 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -6.118 -5.298 13.837 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -6.266 -3.792 13.881 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -5.856 -6.199 11.932 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -5.320 -5.748 11.280 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -6.708 -6.307 11.510 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 0.142 -2.945 17.200 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 0.334 -3.876 17.089 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 0.999 -2.520 17.190 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -3.786 -4.421 15.927 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -4.022 -4.641 16.829 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -4.569 -4.628 15.418 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -1.070 -5.294 15.003 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -2.018 -5.262 15.135 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -0.758 -5.919 15.657 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -9.609 -5.450 16.056 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -9.398 -6.157 15.445 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -9.721 -5.888 16.900 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 5.023 1.650 2.684 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 5.873 2.071 2.812 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 5.028 0.910 3.292 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 5.417 -0.297 4.508 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 4.691 -0.776 4.906 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 5.998 -0.091 5.240 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 3.204 -1.776 5.071 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 3.054 -2.721 5.051 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 2.850 -1.495 5.915 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 2.914 -4.193 3.533 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 3.194 -5.100 3.658 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 3.673 -3.759 3.144 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 3.526 -3.612 8.969 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 4.459 -3.400 8.935 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 3.291 -3.510 9.892 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -12.163 -4.427 15.222 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -11.244 -4.549 15.458 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -12.613 -5.177 15.611 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.528 -6.930 3.582 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 3.710 -7.379 4.407 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 2.928 -7.515 3.118 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -10.942 -6.115 8.113 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -10.497 -6.907 8.415 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -10.476 -5.399 8.544 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 5.358 -6.786 15.448 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 4.441 -6.515 15.412 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 5.481 -7.321 14.664 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 5.394 -6.863 0.110 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 5.807 -7.584 -0.366 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 6.076 -6.193 0.168 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -12.325 -6.858 3.237 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -13.250 -6.649 3.107 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -11.871 -6.374 2.547 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -12.361 -8.120 11.581 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -13.026 -8.366 12.224 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -12.804 -7.498 11.004 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 4.359 -8.696 13.267 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 3.546 -8.371 12.879 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 4.592 -9.456 12.734 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -2.211 -7.247 7.590 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -2.886 -7.876 7.845 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -1.647 -7.731 6.987 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 4.658 -8.001 6.036 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 5.270 -8.515 5.509 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 5.041 -7.123 6.059 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -9.885 -8.613 5.412 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -10.662 -8.847 4.904 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -9.354 -9.410 5.420 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -5.305 -8.686 5.225 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.431 -8.298 5.195 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -5.441 -8.901 6.148 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 1.605 -8.630 2.567 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 0.902 -8.016 2.357 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 1.160 -9.468 2.698 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 4.426 7.906 3.190 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 4.232 7.158 2.625 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 4.387 8.664 2.606 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -9.927 -8.099 14.929 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -10.293 -8.864 15.372 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -9.014 -8.070 15.216 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -0.343 -3.375 28.379 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -0.200 -4.322 28.399 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -0.449 -3.168 27.450 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -7.188 -5.274 25.651 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -7.145 -4.414 25.233 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -7.646 -5.826 25.018 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 0.534 -5.143 24.052 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 1.180 -5.472 24.677 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 1.044 -4.625 23.429 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -5.412 -1.327 25.629 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -4.796 -1.853 26.138 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -5.998 -1.967 25.225 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -8.378 -6.356 29.725 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -8.597 -5.826 28.959 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -9.046 -6.129 30.373 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 2.298 -5.852 26.033 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 2.083 -6.618 26.565 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 2.954 -5.380 26.546 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -8.784 -4.464 27.678 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -8.171 -3.831 28.051 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -8.272 -4.936 27.021 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -7.083 -8.147 27.956 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -7.944 -8.234 27.548 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -7.105 -7.291 28.383 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -2.420 -8.425 31.330 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -2.000 -8.840 32.083 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -3.353 -8.603 31.447 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -2.758 -5.932 18.615 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -3.012 -5.913 19.538 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -3.015 -6.804 18.314 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -6.992 -3.181 29.051 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -7.634 -3.222 29.760 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -6.955 -2.255 28.813 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.995 -2.960 23.963 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -7.888 -3.301 23.904 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -6.544 -3.337 23.207 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -1.459 -2.544 22.780 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -1.868 -1.729 22.488 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -0.739 -2.684 22.165 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -0.455 -3.098 25.594 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -0.650 -2.493 24.879 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -0.273 -3.932 25.159 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -5.876 -5.487 17.716 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -6.307 -5.932 18.446 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -6.594 -5.115 17.204 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -11.359 -4.999 20.192 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -10.885 -4.408 19.607 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -12.077 -4.468 20.539 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -9.585 -3.904 23.876 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -10.474 -3.804 23.536 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -9.289 -4.746 23.530 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -5.932 -3.904 21.532 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -5.000 -3.775 21.710 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -6.147 -3.234 20.883 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -0.008 -6.298 28.313 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -0.685 -6.167 28.977 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -0.494 -6.453 27.503 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.093 -2.745 26.936 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -2.529 -3.292 26.389 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -3.241 -3.267 27.725 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -8.091 -6.609 23.354 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -8.408 -7.511 23.319 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -7.310 -6.607 22.802 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -4.467 -4.357 29.350 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -5.302 -3.903 29.460 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -3.943 -4.081 30.102 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -0.025 -5.330 19.234 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -0.963 -5.218 19.083 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 0.272 -4.473 19.540 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 0.693 -3.463 20.895 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 1.585 -3.600 21.214 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 0.750 -2.672 20.358 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -1.421 -5.894 30.567 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -0.723 -5.820 31.217 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -1.802 -6.758 30.722 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -3.437 -4.514 22.499 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -2.625 -4.010 22.545 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -3.682 -4.659 23.413 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -2.901 -3.528 31.684 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -2.782 -2.954 32.441 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -2.246 -4.216 31.799 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -6.896 -6.370 20.125 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -6.979 -5.481 20.471 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -6.006 -6.635 20.356 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -9.513 -8.496 26.974 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -9.742 -8.437 26.047 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -9.956 -9.288 27.281 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -5.856 -6.199 30.788 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -5.320 -5.748 30.136 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -6.708 -6.307 30.366 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -5.050 -8.743 31.220 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -5.148 -7.796 31.114 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -5.793 -9.115 30.744 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 3.282 -5.748 17.423 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 3.892 -6.120 18.060 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 2.445 -6.170 17.619 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 2.914 -4.193 22.389 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 3.194 -5.100 22.514 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 3.673 -3.759 22.000 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 3.528 -6.930 22.438 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 3.710 -7.379 23.263 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 2.928 -7.515 21.974 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -10.942 -6.115 26.969 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -10.497 -6.907 27.271 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -10.476 -5.399 27.400 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 5.394 -6.863 18.966 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 5.807 -7.584 18.490 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 6.076 -6.193 19.024 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -12.325 -6.858 22.093 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -13.250 -6.649 21.963 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -11.871 -6.374 21.403 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 2.931 -9.140 26.558 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 3.535 -8.592 26.057 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 2.062 -8.820 26.318 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 4.658 -8.001 24.892 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 5.270 -8.515 24.365 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 5.041 -7.123 24.915 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -9.885 -8.613 24.268 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -10.662 -8.847 23.760 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -9.354 -9.410 24.276 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -11.048 -8.815 20.071 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -10.609 -8.204 19.480 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -11.682 -8.277 20.545 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -9.187 -6.899 18.514 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -8.696 -7.529 17.986 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -8.564 -6.603 19.177 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 5.838 9.961 -1.757 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 6.188 9.307 -2.363 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 5.985 10.798 -2.197 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 4.359 10.160 -5.589 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 3.546 10.485 -5.977 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 4.592 9.400 -6.122 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 0.468 9.440 -2.209 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 0.544 9.014 -1.355 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 1.361 9.454 -2.551 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 3.890 9.765 1.272 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 2.991 9.904 1.567 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 4.142 10.596 0.870 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 10.275 -33.849 8.917 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 9.905 -34.651 8.548 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 11.216 -34.018 8.964 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 11.308 -31.845 14.771 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 11.316 -31.981 13.823 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 10.392 -31.963 15.023 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 6.656 -32.872 8.945 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 7.602 -33.016 8.926 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 6.543 -32.088 9.482 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 9.900 -30.071 5.090 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 10.052 -30.419 5.969 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 9.049 -30.427 4.835 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 12.544 -30.358 4.474 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 11.594 -30.253 4.526 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 12.895 -29.538 4.819 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 8.351 -31.542 11.256 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 8.568 -32.474 11.225 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 8.598 -31.268 12.140 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 8.273 -32.268 4.279 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 7.441 -31.795 4.306 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 8.819 -31.758 3.680 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 7.562 -29.655 15.609 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 8.102 -29.872 16.368 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 7.081 -30.461 15.419 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 12.159 -30.736 17.229 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 12.927 -31.195 17.570 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 12.138 -30.962 16.299 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 8.687 -32.657 15.725 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 7.866 -32.482 15.265 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 8.435 -32.730 16.646 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 11.641 -31.682 11.984 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 11.216 -30.873 11.701 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 12.546 -31.597 11.682 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 9.043 -28.426 12.031 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 8.323 -27.986 11.580 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 8.677 -28.677 12.880 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 11.510 -28.826 11.061 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 10.645 -28.754 11.465 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 11.455 -28.279 10.277 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 10.599 -31.093 7.597 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 10.380 -32.009 7.766 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 11.423 -30.953 8.063 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 13.136 -30.623 8.445 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 13.349 -31.511 8.158 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 13.201 -30.657 9.400 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 7.709 -30.579 2.113 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 7.024 -30.617 1.445 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 7.712 -29.666 2.401 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 10.275 -33.849 27.773 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 9.905 -34.651 27.404 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 11.216 -34.018 27.820 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 7.576 -34.757 21.582 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 7.304 -34.528 20.693 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 7.621 -33.919 22.042 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 11.308 -31.845 33.627 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 11.316 -31.981 32.679 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 10.392 -31.963 33.879 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 6.656 -32.872 27.801 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 7.602 -33.016 27.782 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 6.543 -32.088 28.338 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 16.246 -28.860 22.165 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 16.171 -28.981 21.219 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 16.279 -27.910 22.284 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 9.900 -30.071 23.946 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 10.052 -30.419 24.825 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 9.049 -30.427 23.691 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 14.375 -31.231 30.100 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 14.738 -30.376 29.867 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 14.907 -31.523 30.841 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 12.544 -30.358 23.330 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 11.594 -30.253 23.382 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 12.895 -29.538 23.675 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 8.351 -31.542 30.112 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 8.568 -32.474 30.081 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 8.598 -31.268 30.996 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 13.226 -30.780 20.509 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 13.387 -29.980 20.008 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 13.029 -30.473 21.394 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 8.273 -32.268 23.135 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 7.441 -31.795 23.162 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 8.819 -31.758 22.536 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 7.562 -29.655 34.465 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 8.102 -29.872 35.224 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 7.081 -30.461 34.275 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 13.928 -28.595 19.121 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 14.861 -28.437 19.265 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 13.664 -27.920 18.496 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 7.496 -33.959 18.604 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 8.410 -33.880 18.877 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 7.503 -34.646 17.937 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 7.015 -30.485 25.486 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 6.681 -31.366 25.658 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 7.237 -30.140 26.350 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 8.687 -32.657 34.581 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 7.866 -32.482 34.121 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 8.435 -32.730 35.502 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 11.641 -31.682 30.840 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 11.216 -30.873 30.557 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 12.546 -31.597 30.538 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 16.221 -28.938 29.093 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 15.764 -28.409 28.439 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 16.384 -28.335 29.818 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 8.458 -29.803 27.798 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 8.439 -30.228 28.655 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 9.263 -30.121 27.389 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 10.599 -31.093 26.453 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 10.380 -32.009 26.622 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 11.423 -30.953 26.919 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 13.136 -30.623 27.301 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 13.349 -31.511 27.014 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 13.201 -30.657 28.256 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 7.709 -30.579 20.969 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 7.024 -30.617 20.301 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 7.712 -29.666 21.257 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 9.527 -29.659 17.994 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.259 -29.372 18.867 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 10.298 -30.205 18.146 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 9.527 -29.659 36.850 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 9.259 -29.372 37.723 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 10.298 -30.205 37.002 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 10.275 -14.993 -9.939 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 9.905 -15.795 -10.308 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 11.216 -15.162 -9.892 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 11.455 -15.572 -6.912 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 11.449 -14.693 -7.290 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 10.601 -15.655 -6.487 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 11.308 -12.989 -4.085 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.316 -13.125 -5.033 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 10.392 -13.107 -3.833 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 6.905 -16.796 -6.795 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 6.404 -16.824 -7.610 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 6.911 -17.702 -6.485 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 6.656 -14.016 -9.911 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 7.602 -14.160 -9.930 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 6.543 -13.232 -9.374 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 9.154 -15.473 -5.752 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 9.371 -15.834 -4.892 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 8.299 -15.847 -5.962 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 12.159 -11.880 -1.627 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.927 -12.339 -1.286 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 12.138 -12.106 -2.557 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.469 -16.989 -2.293 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.613 -17.891 -2.579 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 6.696 -16.703 -2.781 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 6.145 -9.710 -14.031 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 5.498 -10.172 -14.564 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 6.500 -10.382 -13.448 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 7.015 -11.629 -12.226 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 6.681 -12.510 -12.054 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 7.237 -11.284 -11.362 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 8.687 -13.801 -3.131 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 7.866 -13.626 -3.591 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 8.435 -13.874 -2.210 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 11.641 -12.826 -6.872 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 11.216 -12.017 -7.155 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 12.546 -12.741 -7.174 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 11.510 -9.970 -7.795 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 10.645 -9.898 -7.391 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 11.455 -9.423 -8.579 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 8.458 -10.947 -9.914 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 8.439 -11.372 -9.057 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.263 -11.265 -10.323 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 10.599 -12.237 -11.259 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.380 -13.153 -11.090 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 11.423 -12.097 -10.793 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 9.351 -19.443 10.382 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 9.393 -20.069 11.106 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 10.054 -18.820 10.564 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 10.275 -14.993 8.917 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 9.905 -15.795 8.548 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 11.216 -15.162 8.964 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 13.444 -20.183 6.773 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 14.060 -20.709 7.282 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 12.858 -20.823 6.369 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 10.478 -25.212 10.869 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 10.259 -24.682 10.103 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 9.810 -24.985 11.517 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 13.047 -17.536 11.157 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.307 -16.938 11.260 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 13.761 -16.982 10.841 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 11.455 -15.572 11.944 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 11.449 -14.693 11.566 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 10.601 -15.655 12.369 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 14.504 -27.906 8.322 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 14.387 -28.855 8.268 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 13.649 -27.574 8.595 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 11.822 -18.229 5.657 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 11.492 -18.599 4.838 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 12.410 -18.899 6.003 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 12.189 -19.460 9.290 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 12.754 -19.339 8.527 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 12.508 -18.823 9.929 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 13.069 -15.061 14.007 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 12.757 -14.279 14.463 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 12.419 -15.214 13.321 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 9.989 -18.863 13.236 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 10.059 -18.212 13.934 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 9.098 -18.760 12.901 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 11.308 -12.989 14.771 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 11.316 -13.125 13.823 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 10.392 -13.107 15.023 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 10.812 -19.159 3.246 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.520 -18.391 2.755 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 10.138 -19.819 3.083 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 6.656 -14.016 8.945 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 7.602 -14.160 8.926 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 6.543 -13.232 9.482 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 9.900 -11.215 5.090 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 10.052 -11.563 5.969 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.049 -11.571 4.835 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 11.773 -27.003 9.100 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 10.912 -27.090 8.692 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 11.751 -26.147 9.527 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 11.864 -22.037 10.195 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.222 -22.078 10.904 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 11.901 -21.111 9.957 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 11.861 -21.816 5.107 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 10.968 -22.157 5.048 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 12.312 -22.193 4.351 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 9.614 -21.717 12.062 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 9.576 -21.317 12.930 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 9.123 -22.534 12.152 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 7.497 -23.855 1.336 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 7.971 -23.264 0.751 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 6.779 -23.324 1.683 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 14.443 -24.389 6.193 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 13.532 -24.332 6.482 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 14.948 -24.449 7.004 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 12.924 -22.760 2.676 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 13.856 -22.631 2.854 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 12.709 -22.090 2.027 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 9.733 -17.008 15.342 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 10.466 -16.754 15.903 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 8.953 -16.804 15.857 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 14.389 -23.213 10.494 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 13.554 -22.759 10.604 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 14.913 -22.937 11.246 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 10.058 -17.705 7.948 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 10.803 -17.707 7.347 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 10.136 -18.529 8.430 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 12.433 -14.187 5.353 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 12.960 -13.414 5.152 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 11.553 -13.962 5.051 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 8.188 -19.325 -0.060 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 8.804 -18.698 0.319 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 7.326 -19.009 0.211 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 8.351 -12.686 11.256 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.568 -13.618 11.225 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.598 -12.412 12.140 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 9.603 -17.412 1.432 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 8.917 -17.060 1.999 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 10.126 -16.649 1.186 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.960 -25.226 1.269 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 11.877 -24.337 1.615 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 12.850 -25.491 1.500 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 10.219 -14.798 0.329 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 10.811 -14.099 0.605 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.678 -15.231 -0.390 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 8.273 -13.412 4.279 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 7.441 -12.939 4.306 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 8.819 -12.902 3.680 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 12.159 -11.880 17.229 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 12.927 -12.339 17.570 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 12.138 -12.106 16.299 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.301 -19.789 15.983 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.709 -20.646 15.862 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 8.041 -19.774 16.904 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 12.248 -20.780 13.357 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.630 -20.105 13.638 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 12.592 -20.459 12.524 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 12.588 -23.425 14.440 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 12.738 -24.154 13.837 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 12.590 -22.648 13.881 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.000 -25.055 11.932 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 13.536 -24.604 11.280 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 12.148 -25.163 11.510 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 11.066 -22.227 16.351 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 10.299 -22.759 16.141 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 11.745 -22.537 15.752 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 13.806 -27.599 12.364 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 13.708 -26.652 12.258 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 13.063 -27.971 11.888 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 14.028 -28.305 15.035 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 14.740 -28.945 15.021 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 13.927 -28.038 14.121 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 14.381 -26.622 17.089 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.250 -27.098 16.268 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.782 -25.878 17.033 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 7.496 -15.103 -0.252 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 8.410 -15.024 0.021 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 7.503 -15.790 -0.919 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 6.145 -9.710 4.825 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 5.498 -10.172 4.292 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 6.500 -10.382 5.408 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 7.015 -11.629 6.630 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 6.681 -12.510 6.802 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 7.237 -11.284 7.494 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 7.095 -18.554 9.081 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.279 -18.636 8.146 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 7.944 -18.678 9.505 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 6.531 -25.714 3.237 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 5.606 -25.505 3.107 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 6.985 -25.230 2.547 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.641 -12.826 11.984 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 11.216 -12.017 11.701 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 12.546 -12.741 11.682 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.043 -9.570 12.031 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 8.323 -9.130 11.580 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.677 -9.821 12.880 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 11.510 -9.970 11.061 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 10.645 -9.898 11.465 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 11.455 -9.423 10.277 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 8.458 -10.947 8.942 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 8.439 -11.372 9.799 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 9.263 -11.265 8.533 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.599 -12.237 7.597 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.380 -13.153 7.766 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 11.423 -12.097 8.063 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 7.808 -27.671 1.215 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 8.247 -27.060 0.624 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 7.174 -27.133 1.689 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 13.551 -27.542 5.225 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 14.425 -27.154 5.195 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 13.415 -27.757 6.148 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 7.709 -11.723 2.113 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 7.024 -11.761 1.445 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 7.712 -10.810 2.401 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 9.669 -25.755 -0.342 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 10.160 -26.385 -0.870 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 10.292 -25.459 0.321 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 10.902 -27.604 16.465 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 11.801 -27.878 16.280 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 10.516 -28.347 16.929 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 9.527 -10.803 -0.862 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 9.259 -10.516 0.011 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 10.298 -11.349 -0.710 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 9.351 -19.443 29.238 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 9.393 -20.069 29.962 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 10.054 -18.820 29.420 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 10.275 -14.993 27.773 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 9.905 -15.795 27.404 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 11.216 -15.162 27.820 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 13.444 -20.183 25.629 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 14.060 -20.709 26.138 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 12.858 -20.823 25.225 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.047 -17.536 30.013 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 12.307 -16.938 30.116 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 13.761 -16.982 29.697 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 7.576 -15.901 21.582 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 7.304 -15.672 20.693 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 7.621 -15.063 22.042 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 14.504 -27.906 27.178 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 14.387 -28.855 27.124 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 13.649 -27.574 27.451 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.822 -18.229 24.513 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.492 -18.599 23.694 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 12.410 -18.899 24.859 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 12.189 -19.460 28.146 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 12.754 -19.339 27.383 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 12.508 -18.823 28.785 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 9.989 -18.863 32.092 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 10.059 -18.212 32.790 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 9.098 -18.760 31.757 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 10.812 -19.159 22.102 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 10.520 -18.391 21.611 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 10.138 -19.819 21.939 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 6.905 -16.796 30.917 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 6.404 -16.824 30.102 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 6.911 -17.702 31.227 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 6.656 -14.016 27.801 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.602 -14.160 27.782 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 6.543 -13.232 28.338 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 9.900 -11.215 23.946 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 10.052 -11.563 24.825 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 9.049 -11.571 23.691 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 9.154 -15.473 31.960 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 9.371 -15.834 32.820 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 8.299 -15.847 31.750 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 16.436 -27.281 31.330 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 16.856 -27.696 32.083 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 15.503 -27.459 31.447 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 16.098 -24.788 18.615 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 15.844 -24.769 19.538 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 15.841 -25.660 18.314 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 9.614 -21.717 30.918 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 9.576 -21.317 31.786 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 9.123 -22.534 31.008 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 12.980 -24.343 17.716 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 12.549 -24.788 18.446 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 12.262 -23.971 17.204 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 14.443 -24.389 25.049 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 13.532 -24.332 25.338 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 14.948 -24.449 25.860 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 12.924 -22.760 21.532 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.856 -22.631 21.710 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 12.709 -22.090 20.883 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 18.848 -25.154 28.313 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 18.171 -25.023 28.977 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 18.362 -25.309 27.503 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 11.598 -21.565 19.099 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 11.056 -21.945 18.408 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 12.432 -21.371 18.670 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 9.733 -17.008 34.198 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 10.466 -16.754 34.759 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 8.953 -16.804 34.713 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 15.763 -21.601 26.936 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 16.327 -22.148 26.389 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 15.615 -22.123 27.725 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 10.058 -17.705 26.804 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 10.803 -17.707 26.203 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 10.136 -18.529 27.286 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.066 -19.244 32.119 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 7.289 -19.662 32.951 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 6.464 -19.857 31.697 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 8.188 -19.325 18.796 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 8.804 -18.698 19.175 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 7.326 -19.009 19.067 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 8.351 -12.686 30.112 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 8.568 -13.618 30.081 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 8.598 -12.412 30.996 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 9.603 -17.412 20.288 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 8.917 -17.060 20.855 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.126 -16.649 20.042 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 17.435 -24.750 30.567 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 18.133 -24.676 31.217 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 17.054 -25.614 30.722 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 15.419 -23.370 22.499 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 16.231 -22.866 22.545 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 15.174 -23.515 23.413 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 15.955 -22.384 31.684 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 16.074 -21.810 32.441 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 16.610 -23.072 31.799 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 16.303 -26.289 23.437 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 15.956 -25.671 24.082 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 16.961 -25.788 22.956 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 10.219 -14.798 19.185 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 10.811 -14.099 19.461 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 10.678 -15.231 18.466 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 8.273 -13.412 23.135 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 7.441 -12.939 23.162 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 8.819 -12.902 22.536 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 7.469 -16.989 35.419 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 7.613 -17.891 35.133 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.696 -16.703 34.931 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 11.810 -16.645 17.551 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 11.874 -17.439 18.082 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 12.463 -16.764 16.862 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.301 -19.789 34.839 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 8.709 -20.646 34.718 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 8.041 -19.774 35.760 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 12.959 -18.673 19.857 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.500 -19.157 20.543 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 13.214 -19.341 19.221 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 12.248 -20.780 32.213 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 11.630 -20.105 32.494 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 12.592 -20.459 31.380 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 14.030 -20.430 18.120 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 13.850 -20.584 17.192 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 14.981 -20.322 18.164 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 12.588 -23.425 33.296 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 12.738 -24.154 32.693 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 12.590 -22.648 32.737 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 14.582 -19.616 31.028 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 15.333 -19.772 30.455 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 14.243 -18.764 30.752 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 11.066 -22.227 35.207 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 10.299 -22.759 34.997 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 11.745 -22.537 34.608 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 15.070 -23.277 34.783 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 14.834 -23.497 35.685 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 14.287 -23.484 34.274 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 9.247 -24.306 34.912 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 9.458 -25.013 34.301 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 9.135 -24.744 35.756 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 14.028 -28.305 33.891 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 14.740 -28.945 33.877 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 13.927 -28.038 32.977 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 14.381 -26.622 35.945 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 14.250 -27.098 35.124 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 13.782 -25.878 35.889 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 6.145 -9.710 23.681 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 5.498 -10.172 23.148 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 6.500 -10.382 24.264 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.015 -11.629 25.486 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 6.681 -12.510 25.658 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.237 -11.284 26.350 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 6.693 -23.283 34.078 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 7.612 -23.405 34.314 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 6.243 -24.033 34.467 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 16.645 -26.103 26.446 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 15.970 -26.732 26.701 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 17.209 -26.587 25.843 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 13.551 -27.542 24.081 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 14.425 -27.154 24.051 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 13.415 -27.757 25.004 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 7.709 -11.723 20.969 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 7.024 -11.761 20.301 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 7.712 -10.810 21.257 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 14.695 -25.462 20.971 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 14.873 -26.108 21.654 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 14.641 -24.628 21.438 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.929 -26.955 33.785 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.563 -27.720 34.228 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 9.842 -26.926 34.072 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 10.902 -27.604 35.321 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 11.801 -27.878 35.136 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 10.516 -28.347 35.785 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 9.527 -10.803 17.994 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 9.259 -10.516 18.867 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 10.298 -11.349 18.146 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 12.980 -24.343 36.572 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.549 -24.788 37.302 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 12.262 -23.971 36.060 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 9.669 -25.755 37.370 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 10.160 -26.385 36.842 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 10.292 -25.459 38.033 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.275 3.863 -9.939 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.905 3.061 -10.308 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 11.216 3.694 -9.892 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 6.885 -2.477 -14.546 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 6.437 -1.631 -14.564 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 6.324 -3.057 -15.061 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 7.595 -0.315 -12.420 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.809 -1.085 -11.893 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 8.333 -0.226 -13.023 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 11.668 -5.274 -12.061 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 11.711 -4.414 -12.479 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 11.210 -5.826 -12.694 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 8.288 -2.877 -11.299 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 8.942 -3.427 -10.867 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 8.312 -3.151 -12.215 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 13.444 -1.327 -12.083 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 14.060 -1.853 -11.574 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 12.858 -1.967 -12.487 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 10.478 -6.356 -7.987 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 10.259 -5.826 -8.753 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 9.810 -6.129 -7.339 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 13.047 1.320 -7.699 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 12.307 1.918 -7.596 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 13.761 1.874 -8.015 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 10.072 -4.464 -10.034 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 10.685 -3.831 -9.661 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 10.584 -4.936 -10.691 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 11.455 3.284 -6.912 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 11.449 4.163 -7.290 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 10.601 3.201 -6.487 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 12.189 -0.604 -9.566 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 12.754 -0.483 -10.329 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 12.508 0.033 -8.927 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 11.308 5.867 -4.085 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 11.316 5.731 -5.033 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 10.392 5.749 -3.833 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 6.905 2.060 -6.795 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 6.404 2.032 -7.610 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 6.911 1.154 -6.485 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 6.656 4.840 -9.911 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 7.602 4.696 -9.930 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 6.543 5.624 -9.374 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 9.154 3.383 -5.752 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 9.371 3.022 -4.892 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 8.299 3.009 -5.962 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 11.773 -8.147 -9.756 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 10.912 -8.234 -10.164 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 11.751 -7.291 -9.329 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 11.864 -3.181 -8.661 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 11.222 -3.222 -7.952 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 11.901 -2.255 -8.899 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 6.222 -5.745 -12.944 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 6.853 -5.774 -12.224 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 6.672 -6.170 -13.674 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 9.271 -3.904 -13.836 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 8.382 -3.804 -14.176 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 9.567 -4.746 -14.182 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 9.733 1.848 -3.514 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 10.466 2.102 -2.953 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 8.953 2.052 -2.999 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 14.389 -4.357 -8.362 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 13.554 -3.903 -8.252 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 14.913 -4.081 -7.610 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 10.058 1.151 -10.908 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 10.803 1.149 -11.509 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 10.136 0.327 -10.426 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 14.083 -0.871 -3.380 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 13.787 -1.037 -4.275 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 15.014 -1.091 -3.390 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 8.351 6.170 -7.600 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 8.568 5.238 -7.631 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 8.598 6.444 -6.716 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 9.343 -8.496 -10.738 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 9.114 -8.437 -11.665 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 8.900 -9.288 -10.431 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 7.562 8.057 -3.247 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.102 7.840 -2.488 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 7.081 7.251 -3.437 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 12.248 -1.924 -5.499 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 11.630 -1.249 -5.218 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 12.592 -1.603 -6.332 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 12.588 -4.569 -4.416 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 12.738 -5.298 -5.019 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 12.590 -3.792 -4.975 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 13.000 -6.199 -6.924 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 13.536 -5.748 -7.576 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 12.148 -6.307 -7.346 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 14.582 -0.760 -6.684 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 15.333 -0.916 -7.257 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 14.243 0.092 -6.960 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 11.066 -3.371 -2.505 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 10.299 -3.903 -2.715 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 11.745 -3.681 -3.104 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 13.806 -8.743 -6.492 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 13.708 -7.796 -6.598 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 13.063 -9.115 -6.968 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 9.247 -5.450 -2.800 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 9.458 -6.157 -3.411 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 9.135 -5.888 -1.956 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 14.028 -9.449 -3.821 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 14.740 -10.089 -3.835 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 13.927 -9.182 -4.735 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 7.914 -6.115 -10.743 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 8.359 -6.907 -10.441 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 8.380 -5.399 -10.312 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 8.687 5.055 -3.131 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 7.866 5.230 -3.591 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 8.435 4.982 -2.210 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 8.971 -8.613 -13.444 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 8.194 -8.847 -13.952 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 9.502 -9.410 -13.436 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 10.902 -8.748 -2.391 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 11.801 -9.022 -2.576 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 10.516 -9.491 -1.927 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 6.885 -2.477 4.310 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 6.437 -1.631 4.292 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 6.324 -3.057 3.795 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 7.576 2.955 2.726 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.304 3.184 1.837 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 7.621 3.793 3.186 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 12.980 -5.487 -1.140 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 12.549 -5.932 -0.410 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 12.262 -5.115 -1.652 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 6.222 -5.745 5.912 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 6.853 -5.774 6.632 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 6.672 -6.170 5.182 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 7.497 -4.999 1.336 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 7.971 -4.408 0.751 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 6.779 -4.468 1.683 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 11.598 -2.709 0.243 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 11.056 -3.089 -0.448 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 12.432 -2.515 -0.186 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 8.188 -0.469 -0.060 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 8.804 0.158 0.319 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 7.326 -0.153 0.211 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 9.603 1.444 1.432 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 8.917 1.796 1.999 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 10.126 2.207 1.186 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 10.219 4.058 0.329 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 10.811 4.757 0.605 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 10.678 3.625 -0.390 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 8.535 -3.278 -0.555 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 8.490 -2.339 -0.376 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 7.647 -3.514 -0.825 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 8.273 5.444 4.279 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 7.441 5.917 4.306 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 8.819 5.954 3.680 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 11.810 2.211 -1.305 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 11.874 1.417 -0.774 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 12.463 2.092 -1.994 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 9.247 -5.450 16.056 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 9.458 -6.157 15.445 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 9.135 -5.888 16.900 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 6.531 -6.858 3.237 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 5.606 -6.649 3.107 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 6.985 -6.374 2.547 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 6.495 -8.120 11.581 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 5.830 -8.366 12.224 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 6.052 -7.498 11.004 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 7.808 -8.815 1.215 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 8.247 -8.204 0.624 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 7.174 -8.277 1.689 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 7.709 7.133 2.113 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 7.024 7.095 1.445 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 7.712 8.046 2.401 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 9.669 -6.899 -0.342 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 10.160 -7.529 -0.870 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 10.292 -6.603 0.321 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 8.929 -8.099 14.929 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 8.563 -8.864 15.372 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 9.842 -8.070 15.216 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 10.902 -8.748 16.465 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 11.801 -9.022 16.280 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 10.516 -9.491 16.929 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 9.527 8.053 -0.862 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 9.259 8.340 0.011 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 10.298 7.507 -0.710 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 6.222 -5.745 24.768 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 6.853 -5.774 25.488 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 6.672 -6.170 24.038 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 7.497 -4.999 20.192 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 7.971 -4.408 19.607 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 6.779 -4.468 20.539 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 6.531 -6.858 22.093 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 5.606 -6.649 21.963 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 6.985 -6.374 21.403 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 7.808 -8.815 20.071 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 8.247 -8.204 19.480 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 7.174 -8.277 20.545 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 9.669 -6.899 18.514 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 10.160 -7.529 17.986 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 10.292 -6.603 19.177 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 7.808 10.041 1.215 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 8.247 10.652 0.624 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 7.174 10.579 1.689 0.00 0.00 WAT1 END