REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1598.56, 79.3639, 88.8165, 33.7769, 432.743, -267.405, -1966.94, 1.07115, 8.417839E-03 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.221112E-03,0.460153,1.05373,42.6791,3.235053E-03,4.208823E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 3 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:40 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.963 -6.611 10.826 1.00 5.42 ATOM 2 CB MET 1 16.366 -6.509 9.198 1.00 1.30 ATOM 3 HB1 MET 1 16.322 -6.413 8.121 1.00 38.17 ATOM 4 HB2 MET 1 16.817 -7.459 9.442 1.00 43.14 ATOM 5 CG MET 1 17.273 -5.405 9.736 1.00 51.00 ATOM 6 HG1 MET 1 18.296 -5.641 9.478 1.00 38.17 ATOM 7 HG2 MET 1 17.177 -5.371 10.810 1.00 21.24 ATOM 8 SD MET 1 16.873 -3.774 9.071 1.00 44.33 ATOM 9 CE MET 1 18.098 -2.762 9.904 1.00 25.22 ATOM 10 HE1 MET 1 17.993 -1.735 9.585 1.00 11.44 ATOM 11 HE2 MET 1 19.088 -3.118 9.656 1.00 2.35 ATOM 12 HE3 MET 1 17.949 -2.824 10.973 1.00 51.14 ATOM 13 C MET 1 14.234 -5.159 9.427 1.00 11.41 ATOM 14 O MET 1 13.646 -5.003 8.357 1.00 52.45 ATOM 15 N MET 1 14.168 -7.638 9.187 1.00 24.52 ATOM 16 HT1 MET 1 14.655 -8.530 9.401 1.00 38.17 ATOM 17 HT2 MET 1 14.084 -7.542 8.156 1.00 38.17 ATOM 18 HT3 MET 1 13.212 -7.676 9.597 1.00 38.17 ATOM 19 CA MET 1 14.928 -6.492 9.751 1.00 25.24 ATOM 20 N GLY 2 14.301 -4.203 10.357 1.00 4.43 ATOM 21 HN GLY 2 14.752 -4.393 11.205 1.00 38.17 ATOM 22 CA GLY 2 13.723 -2.881 10.129 1.00 50.22 ATOM 23 HA1 GLY 2 13.742 -2.669 9.069 1.00 38.17 ATOM 24 HA2 GLY 2 14.335 -2.150 10.636 1.00 52.35 ATOM 25 C GLY 2 12.285 -2.744 10.628 1.00 60.12 ATOM 26 O GLY 2 11.477 -3.667 10.496 1.00 14.42 ATOM 27 N HIS 3 11.964 -1.583 11.200 1.00 54.31 ATOM 28 HN HIS 3 12.660 -0.899 11.306 1.00 38.17 ATOM 29 CA HIS 3 10.602 -1.292 11.663 1.00 71.02 ATOM 30 HA HIS 3 10.179 -2.203 12.065 1.00 3.31 ATOM 31 CB HIS 3 10.628 -0.220 12.765 1.00 44.02 ATOM 32 HB1 HIS 3 9.613 -0.017 13.079 1.00 38.17 ATOM 33 HB2 HIS 3 11.059 0.686 12.366 1.00 71.23 ATOM 34 CG HIS 3 11.418 -0.603 13.983 1.00 72.41 ATOM 35 ND1 HIS 3 10.855 -0.746 15.234 1.00 14.31 ATOM 36 HD1 HIS 3 9.906 -0.621 15.454 1.00 24.15 ATOM 37 CD2 HIS 3 12.741 -0.849 14.145 1.00 42.01 ATOM 38 HD2 HIS 3 13.496 -0.827 13.372 1.00 21.12 ATOM 39 CE1 HIS 3 11.791 -1.061 16.105 1.00 13.24 ATOM 40 HE1 HIS 3 11.640 -1.233 17.162 1.00 15.32 ATOM 41 NE2 HIS 3 12.942 -1.131 15.472 1.00 23.44 ATOM 42 HE2 HIS 3 13.818 -1.220 15.906 1.00 38.17 ATOM 43 C HIS 3 9.729 -0.803 10.496 1.00 51.22 ATOM 44 O HIS 3 10.066 0.183 9.836 1.00 34.12 ATOM 45 N HIS 4 8.614 -1.489 10.237 1.00 10.13 ATOM 46 HN HIS 4 8.407 -2.284 10.774 1.00 38.17 ATOM 47 CA HIS 4 7.695 -1.082 9.165 1.00 60.25 ATOM 48 HA HIS 4 8.254 -1.087 8.240 1.00 34.14 ATOM 49 CB HIS 4 6.531 -2.072 9.043 1.00 31.21 ATOM 50 HB1 HIS 4 5.822 -1.697 8.318 1.00 38.17 ATOM 51 HB2 HIS 4 6.041 -2.165 10.001 1.00 71.45 ATOM 52 CG HIS 4 6.952 -3.442 8.609 1.00 10.31 ATOM 53 ND1 HIS 4 6.941 -4.535 9.447 1.00 64.45 ATOM 54 HD1 HIS 4 6.669 -4.535 10.390 1.00 2.31 ATOM 55 CD2 HIS 4 7.389 -3.897 7.411 1.00 34.24 ATOM 56 HD2 HIS 4 7.526 -3.311 6.513 1.00 50.11 ATOM 57 CE1 HIS 4 7.352 -5.598 8.786 1.00 4.15 ATOM 58 HE1 HIS 4 7.443 -6.596 9.189 1.00 41.45 ATOM 59 NE2 HIS 4 7.630 -5.241 7.549 1.00 13.01 ATOM 60 HE2 HIS 4 8.152 -5.784 6.921 1.00 38.17 ATOM 61 C HIS 4 7.164 0.341 9.401 1.00 52.21 ATOM 62 O HIS 4 7.471 1.259 8.637 1.00 50.32 ATOM 63 N HIS 5 6.358 0.512 10.452 1.00 63.32 ATOM 64 HN HIS 5 6.053 -0.278 10.946 1.00 38.17 ATOM 65 CA HIS 5 5.901 1.840 10.886 1.00 42.21 ATOM 66 HA HIS 5 5.200 1.695 11.695 1.00 52.52 ATOM 67 CB HIS 5 7.107 2.644 11.408 1.00 61.10 ATOM 68 HB1 HIS 5 7.709 2.960 10.568 1.00 38.17 ATOM 69 HB2 HIS 5 7.703 2.006 12.045 1.00 32.53 ATOM 70 CG HIS 5 6.745 3.865 12.202 1.00 34.12 ATOM 71 ND1 HIS 5 6.439 3.820 13.544 1.00 71.24 ATOM 72 HD1 HIS 5 6.411 3.011 14.101 1.00 42.02 ATOM 73 CD2 HIS 5 6.657 5.170 11.847 1.00 71.24 ATOM 74 HD2 HIS 5 6.834 5.580 10.862 1.00 72.14 ATOM 75 CE1 HIS 5 6.179 5.035 13.978 1.00 53.04 ATOM 76 HE1 HIS 5 5.911 5.299 14.990 1.00 53.22 ATOM 77 NE2 HIS 5 6.304 5.875 12.972 1.00 14.44 ATOM 78 HE2 HIS 5 6.379 6.848 13.070 1.00 38.17 ATOM 79 C HIS 5 5.184 2.599 9.746 1.00 42.21 ATOM 80 O HIS 5 5.279 3.822 9.638 1.00 61.22 ATOM 81 N HIS 6 4.444 1.868 8.916 1.00 21.31 ATOM 82 HN HIS 6 4.342 0.908 9.092 1.00 38.17 ATOM 83 CA HIS 6 3.764 2.464 7.757 1.00 3.43 ATOM 84 HA HIS 6 4.458 3.148 7.287 1.00 4.30 ATOM 85 CB HIS 6 3.380 1.381 6.740 1.00 34.22 ATOM 86 HB1 HIS 6 2.820 1.835 5.934 1.00 38.17 ATOM 87 HB2 HIS 6 2.760 0.641 7.228 1.00 51.21 ATOM 88 CG HIS 6 4.555 0.668 6.138 1.00 4.32 ATOM 89 ND1 HIS 6 4.620 -0.703 6.011 1.00 33.04 ATOM 90 HD1 HIS 6 3.927 -1.339 6.296 1.00 25.22 ATOM 91 CD2 HIS 6 5.705 1.144 5.604 1.00 23.20 ATOM 92 HD2 HIS 6 5.999 2.182 5.529 1.00 31.24 ATOM 93 CE1 HIS 6 5.753 -1.038 5.431 1.00 54.31 ATOM 94 HE1 HIS 6 6.074 -2.045 5.205 1.00 33.41 ATOM 95 NE2 HIS 6 6.428 0.060 5.173 1.00 55.20 ATOM 96 HE2 HIS 6 7.360 0.086 4.862 1.00 38.17 ATOM 97 C HIS 6 2.508 3.250 8.169 1.00 51.11 ATOM 98 O HIS 6 1.554 2.682 8.707 1.00 12.51 ATOM 99 N HIS 7 2.513 4.556 7.901 1.00 45.41 ATOM 100 HN HIS 7 3.317 4.955 7.505 1.00 38.17 ATOM 101 CA HIS 7 1.353 5.413 8.170 1.00 24.14 ATOM 102 HA HIS 7 1.009 5.200 9.173 1.00 2.32 ATOM 103 CB HIS 7 1.760 6.895 8.087 1.00 34.41 ATOM 104 HB1 HIS 7 2.330 7.053 7.182 1.00 38.17 ATOM 105 HB2 HIS 7 2.378 7.142 8.939 1.00 4.41 ATOM 106 CG HIS 7 0.596 7.848 8.069 1.00 24.02 ATOM 107 ND1 HIS 7 -0.016 8.255 6.906 1.00 73.05 ATOM 108 HD1 HIS 7 0.241 7.984 5.996 1.00 23.34 ATOM 109 CD2 HIS 7 -0.067 8.474 9.074 1.00 61.13 ATOM 110 HD2 HIS 7 0.140 8.390 10.131 1.00 4.13 ATOM 111 CE1 HIS 7 -0.997 9.084 7.186 1.00 22.22 ATOM 112 HE1 HIS 7 -1.646 9.560 6.467 1.00 42.01 ATOM 113 NE2 HIS 7 -1.054 9.236 8.493 1.00 11.45 ATOM 114 HE2 HIS 7 -1.574 9.934 8.948 1.00 38.17 ATOM 115 C HIS 7 0.215 5.122 7.179 1.00 33.53 ATOM 116 O HIS 7 0.346 5.371 5.982 1.00 53.45 ATOM 117 N HIS 8 -0.890 4.582 7.679 1.00 35.23 ATOM 118 HN HIS 8 -0.923 4.365 8.635 1.00 38.17 ATOM 119 CA HIS 8 -2.057 4.294 6.839 1.00 33.21 ATOM 120 HA HIS 8 -1.725 4.283 5.808 1.00 71.02 ATOM 121 CB HIS 8 -2.635 2.914 7.180 1.00 13.22 ATOM 122 HB1 HIS 8 -3.541 2.757 6.611 1.00 38.17 ATOM 123 HB2 HIS 8 -2.868 2.877 8.236 1.00 41.13 ATOM 124 CG HIS 8 -1.697 1.784 6.875 1.00 20.43 ATOM 125 ND1 HIS 8 -1.193 0.939 7.838 1.00 5.33 ATOM 126 HD1 HIS 8 -1.398 0.978 8.801 1.00 54.23 ATOM 127 CD2 HIS 8 -1.177 1.357 5.700 1.00 24.43 ATOM 128 HD2 HIS 8 -1.353 1.790 4.726 1.00 71.33 ATOM 129 CE1 HIS 8 -0.407 0.047 7.274 1.00 22.12 ATOM 130 HE1 HIS 8 0.126 -0.740 7.788 1.00 11.02 ATOM 131 NE2 HIS 8 -0.379 0.275 5.978 1.00 33.55 ATOM 132 HE2 HIS 8 -0.038 -0.359 5.309 1.00 38.17 ATOM 133 C HIS 8 -3.141 5.372 6.987 1.00 30.34 ATOM 134 O HIS 8 -3.718 5.817 5.993 1.00 61.01 ATOM 135 N SER 9 -3.412 5.796 8.225 1.00 30.45 ATOM 136 HN SER 9 -2.904 5.428 8.979 1.00 38.17 ATOM 137 CA SER 9 -4.463 6.799 8.483 1.00 22.21 ATOM 138 HA SER 9 -4.443 7.511 7.667 1.00 3.33 ATOM 139 CB SER 9 -5.844 6.123 8.511 1.00 22.30 ATOM 140 HB1 SER 9 -5.865 5.385 9.300 1.00 38.17 ATOM 141 HB2 SER 9 -6.022 5.637 7.564 1.00 64.15 ATOM 142 OG SER 9 -6.887 7.063 8.739 1.00 61.52 ATOM 143 HG SER 9 -7.475 6.726 9.431 1.00 21.11 ATOM 144 C SER 9 -4.238 7.572 9.797 1.00 23.20 ATOM 145 O SER 9 -3.284 7.320 10.540 1.00 43.02 ATOM 146 N HIS 10 -5.130 8.526 10.061 1.00 71.34 ATOM 147 HN HIS 10 -5.847 8.688 9.409 1.00 38.17 ATOM 148 CA HIS 10 -5.093 9.341 11.281 1.00 3.14 ATOM 149 HA HIS 10 -4.715 8.722 12.084 1.00 55.04 ATOM 150 CB HIS 10 -4.154 10.543 11.086 1.00 11.51 ATOM 151 HB1 HIS 10 -4.492 11.120 10.236 1.00 38.17 ATOM 152 HB2 HIS 10 -3.156 10.180 10.887 1.00 24.05 ATOM 153 CG HIS 10 -4.078 11.463 12.268 1.00 31.25 ATOM 154 ND1 HIS 10 -4.934 12.529 12.448 1.00 55.34 ATOM 155 HD1 HIS 10 -5.653 12.798 11.836 1.00 14.43 ATOM 156 CD2 HIS 10 -3.242 11.476 13.335 1.00 53.32 ATOM 157 HD2 HIS 10 -2.434 10.783 13.529 1.00 11.41 ATOM 158 CE1 HIS 10 -4.631 13.153 13.568 1.00 61.41 ATOM 159 HE1 HIS 10 -5.138 14.020 13.966 1.00 2.01 ATOM 160 NE2 HIS 10 -3.611 12.537 14.123 1.00 52.44 ATOM 161 HE2 HIS 10 -3.119 12.862 14.909 1.00 38.17 ATOM 162 C HIS 10 -6.509 9.824 11.646 1.00 44.14 ATOM 163 O HIS 10 -7.177 10.476 10.840 1.00 35.11 ATOM 164 N MET 11 -6.964 9.502 12.855 1.00 60.23 ATOM 165 HN MET 11 -6.379 9.006 13.466 1.00 38.17 ATOM 166 CA MET 11 -8.322 9.866 13.295 1.00 32.33 ATOM 167 HA MET 11 -8.925 10.008 12.407 1.00 24.03 ATOM 168 CB MET 11 -8.938 8.723 14.117 1.00 61.02 ATOM 169 HB1 MET 11 -9.018 7.850 13.486 1.00 38.17 ATOM 170 HB2 MET 11 -9.930 9.017 14.430 1.00 1.13 ATOM 171 CG MET 11 -8.141 8.341 15.357 1.00 2.31 ATOM 172 HG1 MET 11 -8.110 9.189 16.026 1.00 38.17 ATOM 173 HG2 MET 11 -7.134 8.085 15.059 1.00 42.30 ATOM 174 SD MET 11 -8.858 6.934 16.235 1.00 55.40 ATOM 175 CE MET 11 -10.465 7.586 16.698 1.00 0.03 ATOM 176 HE1 MET 11 -10.336 8.455 17.326 1.00 72.42 ATOM 177 HE2 MET 11 -11.017 6.831 17.237 1.00 5.13 ATOM 178 HE3 MET 11 -11.013 7.863 15.809 1.00 64.14 ATOM 179 C MET 11 -8.341 11.177 14.106 1.00 12.55 ATOM 180 O MET 11 -7.429 11.455 14.889 1.00 24.22 ATOM 181 N ALA 12 -9.391 11.973 13.902 1.00 12.45 ATOM 182 HN ALA 12 -10.073 11.696 13.254 1.00 38.17 ATOM 183 CA ALA 12 -9.569 13.251 14.605 1.00 55.13 ATOM 184 HA ALA 12 -9.349 13.092 15.653 1.00 65.15 ATOM 185 CB ALA 12 -8.598 14.296 14.061 1.00 73.12 ATOM 186 HB1 ALA 12 -8.705 15.217 14.617 1.00 60.52 ATOM 187 HB2 ALA 12 -8.811 14.480 13.018 1.00 25.33 ATOM 188 HB3 ALA 12 -7.585 13.933 14.161 1.00 50.24 ATOM 189 C ALA 12 -11.019 13.742 14.471 1.00 11.32 ATOM 190 O ALA 12 -11.787 13.204 13.674 1.00 35.34 ATOM 191 N LYS 13 -11.395 14.753 15.252 1.00 5.14 ATOM 192 HN LYS 13 -10.747 15.135 15.881 1.00 38.17 ATOM 193 CA LYS 13 -12.759 15.304 15.209 1.00 62.32 ATOM 194 HA LYS 13 -13.337 14.693 14.528 1.00 74.21 ATOM 195 CB LYS 13 -13.408 15.224 16.603 1.00 72.13 ATOM 196 HB1 LYS 13 -14.352 15.752 16.580 1.00 38.17 ATOM 197 HB2 LYS 13 -12.757 15.713 17.314 1.00 72.25 ATOM 198 CG LYS 13 -13.671 13.797 17.106 1.00 4.11 ATOM 199 HG1 LYS 13 -13.769 13.824 18.184 1.00 38.17 ATOM 200 HG2 LYS 13 -12.827 13.176 16.843 1.00 4.41 ATOM 201 CD LYS 13 -14.944 13.176 16.510 1.00 51.45 ATOM 202 HD1 LYS 13 -15.756 13.881 16.619 1.00 38.17 ATOM 203 HD2 LYS 13 -15.178 12.277 17.059 1.00 54.10 ATOM 204 CE LYS 13 -14.800 12.815 15.033 1.00 35.41 ATOM 205 HE1 LYS 13 -14.017 12.077 14.928 1.00 38.17 ATOM 206 HE2 LYS 13 -14.531 13.703 14.481 1.00 72.24 ATOM 207 NZ LYS 13 -16.062 12.265 14.470 1.00 13.43 ATOM 208 HZ1 LYS 13 -16.819 12.975 14.524 1.00 51.23 ATOM 209 HZ2 LYS 13 -16.355 11.424 15.002 1.00 53.24 ATOM 210 HZ3 LYS 13 -15.924 11.996 13.474 1.00 74.24 ATOM 211 C LYS 13 -12.781 16.757 14.693 1.00 30.00 ATOM 212 O LYS 13 -12.507 17.697 15.441 1.00 13.44 ATOM 213 N PRO 14 -13.080 16.951 13.391 1.00 65.30 ATOM 214 CA PRO 14 -13.245 18.277 12.789 1.00 4.11 ATOM 215 HA PRO 14 -12.626 19.020 13.273 1.00 44.13 ATOM 216 CB PRO 14 -12.744 18.032 11.365 1.00 21.40 ATOM 217 HB1 PRO 14 -11.668 18.139 11.333 1.00 38.17 ATOM 218 HB2 PRO 14 -13.201 18.740 10.688 1.00 21.35 ATOM 219 CG PRO 14 -13.161 16.627 11.057 1.00 41.34 ATOM 220 HG1 PRO 14 -12.422 16.161 10.419 1.00 38.17 ATOM 221 HG2 PRO 14 -14.125 16.631 10.567 1.00 22.51 ATOM 222 CD PRO 14 -13.250 15.889 12.380 1.00 44.41 ATOM 223 HD1 PRO 14 -12.460 15.156 12.458 1.00 38.17 ATOM 224 HD2 PRO 14 -14.215 15.413 12.485 1.00 3.14 ATOM 225 C PRO 14 -14.716 18.747 12.776 1.00 44.43 ATOM 226 O PRO 14 -15.634 17.945 12.572 1.00 5.42 ATOM 227 N THR 15 -14.938 20.044 12.988 1.00 10.13 ATOM 228 HN THR 15 -14.176 20.639 13.155 1.00 38.17 ATOM 229 CA THR 15 -16.297 20.608 12.979 1.00 22.10 ATOM 230 HA THR 15 -16.813 20.216 12.112 1.00 70.04 ATOM 231 CB THR 15 -17.098 20.199 14.243 1.00 52.35 ATOM 232 HB THR 15 -17.106 19.120 14.307 1.00 22.12 ATOM 233 OG1 THR 15 -18.456 20.664 14.146 1.00 4.45 ATOM 234 HG1 THR 15 -18.797 20.847 15.031 1.00 60.25 ATOM 235 CG2 THR 15 -16.452 20.754 15.511 1.00 42.31 ATOM 236 HG21 THR 15 -16.443 21.835 15.471 1.00 62.22 ATOM 237 HG22 THR 15 -15.437 20.388 15.590 1.00 70.24 ATOM 238 HG23 THR 15 -17.018 20.431 16.374 1.00 71.04 ATOM 239 C THR 15 -16.273 22.137 12.885 1.00 2.11 ATOM 240 O THR 15 -15.253 22.773 13.158 1.00 4.21 ATOM 241 N ALA 16 -17.399 22.721 12.487 1.00 11.12 ATOM 242 HN ALA 16 -18.157 22.158 12.228 1.00 38.17 ATOM 243 CA ALA 16 -17.543 24.177 12.417 1.00 5.22 ATOM 244 HA ALA 16 -16.552 24.614 12.389 1.00 45.00 ATOM 245 CB ALA 16 -18.273 24.575 11.137 1.00 31.04 ATOM 246 HB1 ALA 16 -19.271 24.160 11.148 1.00 0.54 ATOM 247 HB2 ALA 16 -17.735 24.193 10.280 1.00 22.23 ATOM 248 HB3 ALA 16 -18.333 25.652 11.073 1.00 71.24 ATOM 249 C ALA 16 -18.286 24.715 13.647 1.00 43.25 ATOM 250 O ALA 16 -19.499 24.540 13.780 1.00 31.31 ATOM 251 N ARG 17 -17.553 25.362 14.553 1.00 73.23 ATOM 252 HN ARG 17 -16.588 25.459 14.406 1.00 38.17 ATOM 253 CA ARG 17 -18.153 25.941 15.757 1.00 13.44 ATOM 254 HA ARG 17 -18.745 25.169 16.230 1.00 11.22 ATOM 255 CB ARG 17 -17.055 26.392 16.737 1.00 53.03 ATOM 256 HB1 ARG 17 -16.385 27.065 16.222 1.00 38.17 ATOM 257 HB2 ARG 17 -16.497 25.522 17.059 1.00 65.01 ATOM 258 CG ARG 17 -17.588 27.105 17.980 1.00 2.20 ATOM 259 HG1 ARG 17 -18.330 26.475 18.451 1.00 38.17 ATOM 260 HG2 ARG 17 -18.049 28.034 17.677 1.00 24.35 ATOM 261 CD ARG 17 -16.484 27.408 18.991 1.00 65.10 ATOM 262 HD1 ARG 17 -15.688 27.937 18.488 1.00 38.17 ATOM 263 HD2 ARG 17 -16.102 26.476 19.384 1.00 63.45 ATOM 264 NE ARG 17 -16.973 28.234 20.098 1.00 73.13 ATOM 265 HE ARG 17 -17.006 29.200 19.955 1.00 52.52 ATOM 266 CZ ARG 17 -17.371 27.770 21.251 1.00 51.42 ATOM 267 NH1 ARG 17 -17.347 26.499 21.499 1.00 55.51 ATOM 268 HH11 ARG 17 -17.019 25.863 20.809 1.00 22.45 ATOM 269 HH12 ARG 17 -17.666 26.158 22.382 1.00 2.23 ATOM 270 NH2 ARG 17 -17.782 28.590 22.162 1.00 63.30 ATOM 271 HH21 ARG 17 -17.789 29.573 21.983 1.00 12.34 ATOM 272 HH22 ARG 17 -18.109 28.241 23.039 1.00 54.20 ATOM 273 C ARG 17 -19.079 27.115 15.396 1.00 40.44 ATOM 274 O ARG 17 -18.620 28.230 15.126 1.00 50.53 ATOM 275 N GLY 18 -20.381 26.851 15.373 1.00 34.41 ATOM 276 HN GLY 18 -20.687 25.940 15.577 1.00 38.17 ATOM 277 CA GLY 18 -21.351 27.885 15.037 1.00 55.12 ATOM 278 HA1 GLY 18 -21.074 28.325 14.088 1.00 38.17 ATOM 279 HA2 GLY 18 -21.316 28.654 15.796 1.00 52.21 ATOM 280 C GLY 18 -22.783 27.365 14.935 1.00 65.11 ATOM 281 O GLY 18 -23.046 26.183 15.165 1.00 53.35 ATOM 282 N GLU 19 -23.705 28.256 14.583 1.00 2.21 ATOM 283 HN GLU 19 -23.419 29.174 14.386 1.00 38.17 ATOM 284 CA GLU 19 -25.132 27.914 14.467 1.00 11.51 ATOM 285 HA GLU 19 -25.214 27.032 13.848 1.00 0.42 ATOM 286 CB GLU 19 -25.720 27.614 15.865 1.00 61.20 ATOM 287 HB1 GLU 19 -25.942 28.552 16.356 1.00 38.17 ATOM 288 HB2 GLU 19 -24.973 27.093 16.447 1.00 32.33 ATOM 289 CG GLU 19 -26.995 26.760 15.870 1.00 31.22 ATOM 290 HG1 GLU 19 -27.190 26.446 16.886 1.00 38.17 ATOM 291 HG2 GLU 19 -26.821 25.884 15.261 1.00 0.44 ATOM 292 CD GLU 19 -28.231 27.479 15.343 1.00 1.42 ATOM 293 OE1 GLU 19 -28.785 27.049 14.306 1.00 45.22 ATOM 294 OE2 GLU 19 -28.657 28.475 15.972 1.00 55.45 ATOM 295 C GLU 19 -25.892 29.068 13.792 1.00 75.25 ATOM 296 O GLU 19 -26.815 28.854 13.005 1.00 24.11 ATOM 297 N ALA 20 -25.486 30.294 14.104 1.00 2.12 ATOM 298 HN ALA 20 -24.759 30.402 14.749 1.00 38.17 ATOM 299 CA ALA 20 -26.087 31.491 13.511 1.00 2.01 ATOM 300 HA ALA 20 -27.070 31.227 13.143 1.00 22.34 ATOM 301 CB ALA 20 -26.253 32.563 14.582 1.00 15.04 ATOM 302 HB1 ALA 20 -25.280 32.875 14.935 1.00 61.23 ATOM 303 HB2 ALA 20 -26.822 32.162 15.408 1.00 21.21 ATOM 304 HB3 ALA 20 -26.775 33.411 14.165 1.00 42.32 ATOM 305 C ALA 20 -25.247 32.023 12.340 1.00 60.24 ATOM 306 O ALA 20 -24.312 31.366 11.879 1.00 55.52 ATOM 307 N GLY 21 -25.588 33.216 11.860 1.00 55.43 ATOM 308 HN GLY 21 -26.354 33.689 12.251 1.00 38.17 ATOM 309 CA GLY 21 -24.839 33.828 10.771 1.00 40.00 ATOM 310 HA1 GLY 21 -23.929 33.267 10.610 1.00 38.17 ATOM 311 HA2 GLY 21 -24.574 34.834 11.062 1.00 61.24 ATOM 312 C GLY 21 -25.613 33.893 9.458 1.00 52.34 ATOM 313 O GLY 21 -26.834 33.712 9.428 1.00 62.21 ATOM 314 N SER 22 -24.897 34.162 8.371 1.00 53.14 ATOM 315 HN SER 22 -23.930 34.299 8.466 1.00 38.17 ATOM 316 CA SER 22 -25.499 34.263 7.035 1.00 2.31 ATOM 317 HA SER 22 -26.317 34.967 7.091 1.00 33.31 ATOM 318 CB SER 22 -24.464 34.783 6.029 1.00 24.12 ATOM 319 HB1 SER 22 -24.924 34.874 5.055 1.00 38.17 ATOM 320 HB2 SER 22 -23.639 34.088 5.972 1.00 4.21 ATOM 321 OG SER 22 -23.961 36.053 6.415 1.00 73.44 ATOM 322 HG SER 22 -23.399 36.401 5.708 1.00 72.33 ATOM 323 C SER 22 -26.044 32.910 6.556 1.00 41.43 ATOM 324 O SER 22 -25.585 31.853 6.990 1.00 4.32 ATOM 325 N ARG 23 -27.016 32.948 5.646 1.00 51.21 ATOM 326 HN ARG 23 -27.340 33.820 5.325 1.00 38.17 ATOM 327 CA ARG 23 -27.623 31.720 5.117 1.00 14.34 ATOM 328 HA ARG 23 -28.026 31.174 5.960 1.00 72.02 ATOM 329 CB ARG 23 -28.777 32.054 4.162 1.00 1.00 ATOM 330 HB1 ARG 23 -29.103 31.144 3.672 1.00 38.17 ATOM 331 HB2 ARG 23 -28.422 32.747 3.413 1.00 43.14 ATOM 332 CG ARG 23 -29.979 32.676 4.866 1.00 43.31 ATOM 333 HG1 ARG 23 -29.703 33.657 5.228 1.00 38.17 ATOM 334 HG2 ARG 23 -30.253 32.050 5.703 1.00 73.43 ATOM 335 CD ARG 23 -31.188 32.811 3.940 1.00 11.25 ATOM 336 HD1 ARG 23 -30.961 33.542 3.177 1.00 38.17 ATOM 337 HD2 ARG 23 -32.032 33.154 4.521 1.00 10.42 ATOM 338 NE ARG 23 -31.536 31.540 3.292 1.00 31.45 ATOM 339 HE ARG 23 -31.405 31.481 2.324 1.00 65.11 ATOM 340 CZ ARG 23 -32.003 30.485 3.919 1.00 63.52 ATOM 341 NH1 ARG 23 -32.245 30.515 5.191 1.00 64.54 ATOM 342 HH11 ARG 23 -32.088 31.352 5.714 1.00 12.03 ATOM 343 HH12 ARG 23 -32.586 29.697 5.651 1.00 23.41 ATOM 344 NH2 ARG 23 -32.250 29.397 3.259 1.00 30.42 ATOM 345 HH21 ARG 23 -32.093 29.363 2.273 1.00 50.42 ATOM 346 HH22 ARG 23 -32.596 28.593 3.741 1.00 60.54 ATOM 347 C ARG 23 -26.589 30.819 4.418 1.00 71.43 ATOM 348 O ARG 23 -26.780 29.606 4.321 1.00 40.42 ATOM 349 N ASP 24 -25.506 31.412 3.922 1.00 4.15 ATOM 350 HN ASP 24 -25.459 32.393 3.918 1.00 38.17 ATOM 351 CA ASP 24 -24.387 30.638 3.366 1.00 61.32 ATOM 352 HA ASP 24 -24.809 29.899 2.700 1.00 51.44 ATOM 353 CB ASP 24 -23.457 31.549 2.555 1.00 72.33 ATOM 354 HB1 ASP 24 -23.906 31.744 1.590 1.00 38.17 ATOM 355 HB2 ASP 24 -22.508 31.050 2.407 1.00 23.10 ATOM 356 CG ASP 24 -23.203 32.873 3.247 1.00 33.43 ATOM 357 OD1 ASP 24 -22.385 32.915 4.185 1.00 10.14 ATOM 358 OD2 ASP 24 -23.843 33.877 2.865 1.00 74.24 ATOM 359 C ASP 24 -23.611 29.895 4.476 1.00 34.25 ATOM 360 O ASP 24 -23.250 28.728 4.313 1.00 30.32 ATOM 361 N GLU 25 -23.359 30.575 5.598 1.00 11.12 ATOM 362 HN GLU 25 -23.552 31.536 5.622 1.00 38.17 ATOM 363 CA GLU 25 -22.775 29.937 6.792 1.00 14.14 ATOM 364 HA GLU 25 -21.753 29.675 6.560 1.00 61.40 ATOM 365 CB GLU 25 -22.786 30.919 7.977 1.00 33.41 ATOM 366 HB1 GLU 25 -22.605 30.363 8.888 1.00 38.17 ATOM 367 HB2 GLU 25 -23.766 31.373 8.040 1.00 54.25 ATOM 368 CG GLU 25 -21.749 32.043 7.890 1.00 1.13 ATOM 369 HG1 GLU 25 -22.081 32.867 8.507 1.00 38.17 ATOM 370 HG2 GLU 25 -21.684 32.374 6.863 1.00 10.04 ATOM 371 CD GLU 25 -20.360 31.618 8.357 1.00 42.24 ATOM 372 OE1 GLU 25 -19.395 31.691 7.562 1.00 50.04 ATOM 373 OE2 GLU 25 -20.229 31.217 9.536 1.00 53.24 ATOM 374 C GLU 25 -23.545 28.657 7.172 1.00 53.41 ATOM 375 O GLU 25 -22.948 27.633 7.516 1.00 43.02 ATOM 376 N ARG 26 -24.877 28.719 7.092 1.00 31.53 ATOM 377 HN ARG 26 -25.298 29.570 6.846 1.00 38.17 ATOM 378 CA ARG 26 -25.726 27.554 7.382 1.00 11.13 ATOM 379 HA ARG 26 -25.483 27.227 8.385 1.00 12.14 ATOM 380 CB ARG 26 -27.214 27.930 7.349 1.00 22.21 ATOM 381 HB1 ARG 26 -27.800 27.024 7.255 1.00 38.17 ATOM 382 HB2 ARG 26 -27.398 28.557 6.488 1.00 34.31 ATOM 383 CG ARG 26 -27.682 28.673 8.598 1.00 31.31 ATOM 384 HG1 ARG 26 -27.358 29.703 8.537 1.00 38.17 ATOM 385 HG2 ARG 26 -27.240 28.209 9.468 1.00 2.25 ATOM 386 CD ARG 26 -29.204 28.640 8.746 1.00 21.31 ATOM 387 HD1 ARG 26 -29.552 27.638 8.540 1.00 38.17 ATOM 388 HD2 ARG 26 -29.641 29.325 8.033 1.00 63.41 ATOM 389 NE ARG 26 -29.629 29.022 10.092 1.00 62.15 ATOM 390 HE ARG 26 -30.035 29.907 10.204 1.00 63.24 ATOM 391 CZ ARG 26 -29.488 28.257 11.148 1.00 13.21 ATOM 392 NH1 ARG 26 -28.978 27.070 11.041 1.00 51.40 ATOM 393 HH11 ARG 26 -28.691 26.727 10.150 1.00 54.14 ATOM 394 HH12 ARG 26 -28.867 26.504 11.855 1.00 2.35 ATOM 395 NH2 ARG 26 -29.864 28.675 12.311 1.00 71.41 ATOM 396 HH21 ARG 26 -30.268 29.580 12.409 1.00 30.43 ATOM 397 HH22 ARG 26 -29.732 28.093 13.116 1.00 32.44 ATOM 398 C ARG 26 -25.460 26.382 6.421 1.00 73.42 ATOM 399 O ARG 26 -25.677 25.222 6.775 1.00 1.53 ATOM 400 N ARG 27 -25.008 26.681 5.202 1.00 74.01 ATOM 401 HN ARG 27 -24.958 27.622 4.927 1.00 38.17 ATOM 402 CA ARG 27 -24.575 25.632 4.269 1.00 42.01 ATOM 403 HA ARG 27 -25.349 24.875 4.240 1.00 72.30 ATOM 404 CB ARG 27 -24.376 26.200 2.850 1.00 53.44 ATOM 405 HB1 ARG 27 -23.625 25.611 2.341 1.00 38.17 ATOM 406 HB2 ARG 27 -24.017 27.215 2.931 1.00 4.42 ATOM 407 CG ARG 27 -25.631 26.209 1.980 1.00 30.31 ATOM 408 HG1 ARG 27 -26.056 25.213 1.974 1.00 38.17 ATOM 409 HG2 ARG 27 -25.351 26.478 0.972 1.00 13.54 ATOM 410 CD ARG 27 -26.688 27.191 2.468 1.00 3.33 ATOM 411 HD1 ARG 27 -26.243 28.174 2.549 1.00 38.17 ATOM 412 HD2 ARG 27 -27.041 26.874 3.440 1.00 52.52 ATOM 413 NE ARG 27 -27.824 27.253 1.549 1.00 45.41 ATOM 414 HE ARG 27 -28.004 26.458 1.004 1.00 4.02 ATOM 415 CZ ARG 27 -28.595 28.292 1.387 1.00 33.12 ATOM 416 NH1 ARG 27 -28.422 29.365 2.087 1.00 5.23 ATOM 417 HH11 ARG 27 -27.692 29.404 2.764 1.00 21.41 ATOM 418 HH12 ARG 27 -29.011 30.155 1.934 1.00 54.34 ATOM 419 NH2 ARG 27 -29.549 28.255 0.520 1.00 1.22 ATOM 420 HH21 ARG 27 -29.690 27.433 -0.033 1.00 52.42 ATOM 421 HH22 ARG 27 -30.145 29.045 0.398 1.00 22.55 ATOM 422 C ARG 27 -23.270 24.985 4.758 1.00 0.31 ATOM 423 O ARG 27 -23.129 23.759 4.764 1.00 24.40 ATOM 424 N ALA 28 -22.329 25.825 5.188 1.00 20.54 ATOM 425 HN ALA 28 -22.522 26.789 5.188 1.00 38.17 ATOM 426 CA ALA 28 -21.017 25.365 5.658 1.00 32.41 ATOM 427 HA ALA 28 -20.531 24.858 4.835 1.00 63.34 ATOM 428 CB ALA 28 -20.152 26.565 6.042 1.00 31.24 ATOM 429 HB1 ALA 28 -19.178 26.223 6.360 1.00 54.14 ATOM 430 HB2 ALA 28 -20.624 27.108 6.850 1.00 12.51 ATOM 431 HB3 ALA 28 -20.041 27.218 5.188 1.00 5.30 ATOM 432 C ALA 28 -21.135 24.387 6.841 1.00 31.22 ATOM 433 O ALA 28 -20.717 23.230 6.751 1.00 13.42 ATOM 434 N LEU 29 -21.717 24.857 7.943 1.00 72.41 ATOM 435 HN LEU 29 -22.056 25.778 7.944 1.00 38.17 ATOM 436 CA LEU 29 -21.858 24.040 9.159 1.00 50.12 ATOM 437 HA LEU 29 -20.864 23.712 9.435 1.00 1.03 ATOM 438 CB LEU 29 -22.423 24.896 10.312 1.00 2.21 ATOM 439 HB1 LEU 29 -21.681 25.638 10.568 1.00 38.17 ATOM 440 HB2 LEU 29 -22.563 24.252 11.170 1.00 74.45 ATOM 441 CG LEU 29 -23.756 25.629 10.036 1.00 44.42 ATOM 442 HG LEU 29 -23.765 25.960 9.006 1.00 51.35 ATOM 443 CD1 LEU 29 -24.958 24.704 10.230 1.00 75.23 ATOM 444 HD11 LEU 29 -25.871 25.258 10.070 1.00 45.24 ATOM 445 HD12 LEU 29 -24.951 24.306 11.234 1.00 64.24 ATOM 446 HD13 LEU 29 -24.904 23.890 9.523 1.00 71.41 ATOM 447 CD2 LEU 29 -23.883 26.868 10.921 1.00 71.15 ATOM 448 HD21 LEU 29 -24.809 27.376 10.700 1.00 52.40 ATOM 449 HD22 LEU 29 -23.053 27.537 10.730 1.00 0.44 ATOM 450 HD23 LEU 29 -23.875 26.572 11.960 1.00 25.21 ATOM 451 C LEU 29 -22.719 22.783 8.921 1.00 54.11 ATOM 452 O LEU 29 -22.564 21.771 9.610 1.00 75.42 ATOM 453 N ALA 30 -23.618 22.846 7.936 1.00 24.20 ATOM 454 HN ALA 30 -23.709 23.678 7.426 1.00 38.17 ATOM 455 CA ALA 30 -24.478 21.704 7.601 1.00 20.42 ATOM 456 HA ALA 30 -24.913 21.338 8.522 1.00 31.31 ATOM 457 CB ALA 30 -25.615 22.145 6.688 1.00 62.11 ATOM 458 HB1 ALA 30 -26.174 22.938 7.163 1.00 45.33 ATOM 459 HB2 ALA 30 -26.271 21.307 6.498 1.00 34.44 ATOM 460 HB3 ALA 30 -25.209 22.501 5.752 1.00 32.11 ATOM 461 C ALA 30 -23.683 20.566 6.943 1.00 54.20 ATOM 462 O ALA 30 -23.941 19.390 7.194 1.00 55.05 ATOM 463 N MET 31 -22.715 20.922 6.098 1.00 21.11 ATOM 464 HN MET 31 -22.550 21.878 5.941 1.00 38.17 ATOM 465 CA MET 31 -21.894 19.928 5.392 1.00 34.14 ATOM 466 HA MET 31 -22.414 18.981 5.433 1.00 12.13 ATOM 467 CB MET 31 -21.731 20.332 3.923 1.00 64.45 ATOM 468 HB1 MET 31 -21.026 19.664 3.452 1.00 38.17 ATOM 469 HB2 MET 31 -21.344 21.340 3.880 1.00 72.31 ATOM 470 CG MET 31 -23.033 20.284 3.134 1.00 53.45 ATOM 471 HG1 MET 31 -22.833 20.593 2.119 1.00 38.17 ATOM 472 HG2 MET 31 -23.740 20.967 3.585 1.00 13.31 ATOM 473 SD MET 31 -23.766 18.635 3.102 1.00 54.03 ATOM 474 CE MET 31 -22.509 17.715 2.211 1.00 14.15 ATOM 475 HE1 MET 31 -22.817 16.683 2.111 1.00 13.11 ATOM 476 HE2 MET 31 -21.577 17.760 2.756 1.00 13.43 ATOM 477 HE3 MET 31 -22.374 18.148 1.229 1.00 12.41 ATOM 478 C MET 31 -20.514 19.747 6.046 1.00 53.01 ATOM 479 O MET 31 -19.568 19.300 5.397 1.00 22.15 ATOM 480 N LYS 32 -20.414 20.090 7.332 1.00 32.51 ATOM 481 HN LYS 32 -21.186 20.501 7.772 1.00 38.17 ATOM 482 CA LYS 32 -19.183 19.875 8.114 1.00 40.21 ATOM 483 HA LYS 32 -19.367 20.250 9.111 1.00 34.51 ATOM 484 CB LYS 32 -18.870 18.369 8.208 1.00 35.32 ATOM 485 HB1 LYS 32 -17.961 18.236 8.780 1.00 38.17 ATOM 486 HB2 LYS 32 -18.715 17.983 7.212 1.00 41.53 ATOM 487 CG LYS 32 -19.975 17.552 8.872 1.00 4.30 ATOM 488 HG1 LYS 32 -20.890 17.684 8.313 1.00 38.17 ATOM 489 HG2 LYS 32 -20.117 17.909 9.882 1.00 75.32 ATOM 490 CD LYS 32 -19.631 16.066 8.919 1.00 75.45 ATOM 491 HD1 LYS 32 -18.719 15.934 9.483 1.00 38.17 ATOM 492 HD2 LYS 32 -19.483 15.709 7.909 1.00 72.23 ATOM 493 CE LYS 32 -20.739 15.245 9.572 1.00 25.45 ATOM 494 HE1 LYS 32 -20.451 14.203 9.567 1.00 38.17 ATOM 495 HE2 LYS 32 -21.646 15.366 8.997 1.00 1.20 ATOM 496 NZ LYS 32 -20.998 15.667 10.976 1.00 0.21 ATOM 497 HZ1 LYS 32 -20.134 15.570 11.546 1.00 30.12 ATOM 498 HZ2 LYS 32 -21.743 15.077 11.396 1.00 74.53 ATOM 499 HZ3 LYS 32 -21.307 16.660 11.002 1.00 60.12 ATOM 500 C LYS 32 -17.976 20.638 7.530 1.00 75.34 ATOM 501 O LYS 32 -16.844 20.148 7.560 1.00 74.20 ATOM 502 N ILE 33 -18.225 21.839 7.012 1.00 24.54 ATOM 503 HN ILE 33 -19.151 22.154 6.975 1.00 38.17 ATOM 504 CA ILE 33 -17.160 22.706 6.496 1.00 10.04 ATOM 505 HA ILE 33 -16.408 22.080 6.034 1.00 4.30 ATOM 506 CB ILE 33 -17.713 23.682 5.424 1.00 30.23 ATOM 507 HB ILE 33 -18.448 24.317 5.900 1.00 51.21 ATOM 508 CG1 ILE 33 -18.395 22.909 4.277 1.00 53.44 ATOM 509 HG11 ILE 33 -18.788 23.618 3.561 1.00 38.17 ATOM 510 HG12 ILE 33 -19.211 22.329 4.680 1.00 35.12 ATOM 511 CG2 ILE 33 -16.604 24.583 4.884 1.00 23.54 ATOM 512 HG21 ILE 33 -15.823 23.976 4.451 1.00 73.42 ATOM 513 HG22 ILE 33 -16.194 25.175 5.690 1.00 2.20 ATOM 514 HG23 ILE 33 -17.009 25.241 4.128 1.00 24.03 ATOM 515 CD1 ILE 33 -17.480 21.959 3.532 1.00 14.23 ATOM 516 HD11 ILE 33 -18.036 21.475 2.742 1.00 33.01 ATOM 517 HD12 ILE 33 -17.100 21.212 4.214 1.00 54.22 ATOM 518 HD13 ILE 33 -16.656 22.511 3.105 1.00 64.11 ATOM 519 C ILE 33 -16.516 23.512 7.645 1.00 1.04 ATOM 520 O ILE 33 -17.110 24.463 8.151 1.00 75.31 ATOM 521 N PRO 34 -15.287 23.145 8.070 1.00 45.20 ATOM 522 CA PRO 34 -14.647 23.739 9.259 1.00 13.44 ATOM 523 HA PRO 34 -15.349 23.820 10.077 1.00 43.41 ATOM 524 CB PRO 34 -13.580 22.697 9.613 1.00 22.13 ATOM 525 HB1 PRO 34 -14.004 21.951 10.272 1.00 38.17 ATOM 526 HB2 PRO 34 -12.742 23.179 10.099 1.00 73.32 ATOM 527 CG PRO 34 -13.187 22.104 8.300 1.00 23.51 ATOM 528 HG1 PRO 34 -12.842 21.090 8.444 1.00 38.17 ATOM 529 HG2 PRO 34 -12.407 22.701 7.847 1.00 72.12 ATOM 530 CD PRO 34 -14.427 22.120 7.437 1.00 11.44 ATOM 531 HD1 PRO 34 -14.910 21.151 7.452 1.00 38.17 ATOM 532 HD2 PRO 34 -14.178 22.399 6.423 1.00 3.24 ATOM 533 C PRO 34 -14.004 25.124 9.019 1.00 70.53 ATOM 534 O PRO 34 -13.225 25.603 9.846 1.00 22.50 ATOM 535 N PHE 35 -14.338 25.773 7.906 1.00 61.25 ATOM 536 HN PHE 35 -14.961 25.353 7.279 1.00 38.17 ATOM 537 CA PHE 35 -13.809 27.114 7.607 1.00 10.31 ATOM 538 HA PHE 35 -13.392 27.501 8.529 1.00 50.03 ATOM 539 CB PHE 35 -12.679 27.040 6.563 1.00 22.10 ATOM 540 HB1 PHE 35 -11.818 26.568 7.017 1.00 38.17 ATOM 541 HB2 PHE 35 -12.409 28.044 6.271 1.00 51.13 ATOM 542 CG PHE 35 -13.015 26.275 5.306 1.00 15.33 ATOM 543 CD1 PHE 35 -12.807 24.904 5.239 1.00 43.30 ATOM 544 HD1 PHE 35 -12.419 24.383 6.104 1.00 51.33 ATOM 545 CD2 PHE 35 -13.516 26.925 4.187 1.00 74.50 ATOM 546 HD2 PHE 35 -13.684 27.992 4.223 1.00 63.21 ATOM 547 CE1 PHE 35 -13.092 24.200 4.086 1.00 5.00 ATOM 548 HE1 PHE 35 -12.925 23.133 4.050 1.00 31.41 ATOM 549 CE2 PHE 35 -13.805 26.223 3.032 1.00 41.21 ATOM 550 HE2 PHE 35 -14.197 26.740 2.168 1.00 11.42 ATOM 551 CZ PHE 35 -13.593 24.860 2.982 1.00 4.32 ATOM 552 HZ PHE 35 -13.816 24.312 2.079 1.00 5.43 ATOM 553 C PHE 35 -14.926 28.079 7.160 1.00 0.54 ATOM 554 O PHE 35 -15.862 27.682 6.466 1.00 15.05 ATOM 555 N PRO 36 -14.831 29.366 7.561 1.00 11.01 ATOM 556 CA PRO 36 -15.895 30.366 7.327 1.00 32.11 ATOM 557 HA PRO 36 -16.840 30.032 7.738 1.00 40.33 ATOM 558 CB PRO 36 -15.402 31.590 8.117 1.00 43.34 ATOM 559 HB1 PRO 36 -15.836 31.582 9.107 1.00 38.17 ATOM 560 HB2 PRO 36 -15.687 32.498 7.604 1.00 24.31 ATOM 561 CG PRO 36 -13.922 31.435 8.173 1.00 64.03 ATOM 562 HG1 PRO 36 -13.530 31.942 9.044 1.00 38.17 ATOM 563 HG2 PRO 36 -13.475 31.833 7.272 1.00 51.34 ATOM 564 CD PRO 36 -13.676 29.954 8.274 1.00 11.31 ATOM 565 HD1 PRO 36 -13.665 29.640 9.308 1.00 38.17 ATOM 566 HD2 PRO 36 -12.747 29.690 7.788 1.00 74.41 ATOM 567 C PRO 36 -16.095 30.735 5.845 1.00 43.04 ATOM 568 O PRO 36 -15.149 30.712 5.049 1.00 2.32 ATOM 569 N THR 37 -17.328 31.113 5.490 1.00 62.33 ATOM 570 HN THR 37 -18.037 31.142 6.175 1.00 38.17 ATOM 571 CA THR 37 -17.658 31.492 4.107 1.00 5.24 ATOM 572 HA THR 37 -17.404 30.654 3.471 1.00 11.33 ATOM 573 CB THR 37 -19.167 31.786 3.928 1.00 51.43 ATOM 574 HB THR 37 -19.352 32.024 2.890 1.00 14.23 ATOM 575 OG1 THR 37 -19.563 32.905 4.736 1.00 52.44 ATOM 576 HG1 THR 37 -20.514 32.843 4.919 1.00 72.04 ATOM 577 CG2 THR 37 -20.004 30.563 4.300 1.00 45.34 ATOM 578 HG21 THR 37 -21.051 30.782 4.147 1.00 10.43 ATOM 579 HG22 THR 37 -19.839 30.315 5.339 1.00 24.01 ATOM 580 HG23 THR 37 -19.718 29.725 3.680 1.00 23.03 ATOM 581 C THR 37 -16.850 32.711 3.645 1.00 11.34 ATOM 582 O THR 37 -16.565 32.860 2.457 1.00 62.32 ATOM 583 N ASP 38 -16.477 33.575 4.593 1.00 50.24 ATOM 584 HN ASP 38 -16.824 33.461 5.504 1.00 38.17 ATOM 585 CA ASP 38 -15.580 34.700 4.307 1.00 65.34 ATOM 586 HA ASP 38 -16.108 35.396 3.671 1.00 24.21 ATOM 587 CB ASP 38 -15.189 35.407 5.607 1.00 62.30 ATOM 588 HB1 ASP 38 -14.456 36.172 5.391 1.00 38.17 ATOM 589 HB2 ASP 38 -14.756 34.686 6.287 1.00 33.20 ATOM 590 CG ASP 38 -16.375 36.055 6.287 1.00 33.51 ATOM 591 OD1 ASP 38 -17.084 35.364 7.049 1.00 15.03 ATOM 592 OD2 ASP 38 -16.606 37.261 6.061 1.00 74.41 ATOM 593 C ASP 38 -14.316 34.221 3.584 1.00 1.11 ATOM 594 O ASP 38 -13.969 34.723 2.517 1.00 2.51 ATOM 595 N LYS 39 -13.648 33.233 4.172 1.00 10.01 ATOM 596 HN LYS 39 -13.980 32.885 5.025 1.00 38.17 ATOM 597 CA LYS 39 -12.445 32.637 3.586 1.00 74.24 ATOM 598 HA LYS 39 -11.685 33.405 3.539 1.00 43.32 ATOM 599 CB LYS 39 -11.951 31.503 4.497 1.00 65.15 ATOM 600 HB1 LYS 39 -12.762 30.806 4.655 1.00 38.17 ATOM 601 HB2 LYS 39 -11.668 31.925 5.451 1.00 62.53 ATOM 602 CG LYS 39 -10.759 30.726 3.950 1.00 5.43 ATOM 603 HG1 LYS 39 -9.994 31.426 3.645 1.00 38.17 ATOM 604 HG2 LYS 39 -11.080 30.147 3.095 1.00 50.45 ATOM 605 CD LYS 39 -10.178 29.779 4.999 1.00 24.14 ATOM 606 HD1 LYS 39 -9.431 29.152 4.531 1.00 38.17 ATOM 607 HD2 LYS 39 -10.973 29.162 5.395 1.00 13.51 ATOM 608 CE LYS 39 -9.533 30.548 6.150 1.00 30.15 ATOM 609 HE1 LYS 39 -10.286 31.170 6.617 1.00 38.17 ATOM 610 HE2 LYS 39 -8.748 31.174 5.755 1.00 61.41 ATOM 611 NZ LYS 39 -8.952 29.648 7.177 1.00 15.03 ATOM 612 HZ1 LYS 39 -8.504 30.210 7.929 1.00 34.21 ATOM 613 HZ2 LYS 39 -8.234 29.030 6.749 1.00 33.35 ATOM 614 HZ3 LYS 39 -9.694 29.058 7.598 1.00 3.24 ATOM 615 C LYS 39 -12.717 32.117 2.162 1.00 1.30 ATOM 616 O LYS 39 -11.930 32.346 1.242 1.00 23.04 ATOM 617 N ILE 40 -13.854 31.444 1.987 1.00 5.32 ATOM 618 HN ILE 40 -14.439 31.296 2.761 1.00 38.17 ATOM 619 CA ILE 40 -14.265 30.916 0.676 1.00 4.31 ATOM 620 HA ILE 40 -13.516 30.206 0.349 1.00 44.34 ATOM 621 CB ILE 40 -15.623 30.174 0.789 1.00 3.34 ATOM 622 HB ILE 40 -16.365 30.886 1.128 1.00 61.21 ATOM 623 CG1 ILE 40 -15.527 29.033 1.820 1.00 73.03 ATOM 624 HG11 ILE 40 -15.212 29.443 2.771 1.00 38.17 ATOM 625 HG12 ILE 40 -14.794 28.311 1.489 1.00 10.43 ATOM 626 CG2 ILE 40 -16.074 29.648 -0.575 1.00 33.12 ATOM 627 HG21 ILE 40 -17.031 29.154 -0.475 1.00 11.14 ATOM 628 HG22 ILE 40 -15.346 28.945 -0.953 1.00 41.24 ATOM 629 HG23 ILE 40 -16.169 30.474 -1.267 1.00 12.25 ATOM 630 CD1 ILE 40 -16.832 28.296 2.045 1.00 11.03 ATOM 631 HD11 ILE 40 -17.150 27.834 1.123 1.00 41.43 ATOM 632 HD12 ILE 40 -17.587 28.994 2.376 1.00 13.31 ATOM 633 HD13 ILE 40 -16.690 27.535 2.798 1.00 4.14 ATOM 634 C ILE 40 -14.391 32.034 -0.382 1.00 20.30 ATOM 635 O ILE 40 -13.924 31.895 -1.517 1.00 24.43 ATOM 636 N VAL 41 -15.021 33.144 0.002 1.00 4.13 ATOM 637 HN VAL 41 -15.334 33.213 0.930 1.00 38.17 ATOM 638 CA VAL 41 -15.266 34.259 -0.922 1.00 31.20 ATOM 639 HA VAL 41 -15.511 33.836 -1.887 1.00 31.11 ATOM 640 CB VAL 41 -16.475 35.113 -0.456 1.00 5.25 ATOM 641 HB VAL 41 -16.231 35.556 0.500 1.00 30.23 ATOM 642 CG1 VAL 41 -16.763 36.244 -1.443 1.00 4.24 ATOM 643 HG11 VAL 41 -16.969 35.828 -2.419 1.00 21.24 ATOM 644 HG12 VAL 41 -15.906 36.899 -1.504 1.00 31.43 ATOM 645 HG13 VAL 41 -17.622 36.807 -1.107 1.00 11.05 ATOM 646 CG2 VAL 41 -17.711 34.235 -0.270 1.00 74.23 ATOM 647 HG21 VAL 41 -17.511 33.485 0.481 1.00 71.11 ATOM 648 HG22 VAL 41 -17.953 33.750 -1.206 1.00 0.24 ATOM 649 HG23 VAL 41 -18.545 34.846 0.044 1.00 1.53 ATOM 650 C VAL 41 -14.028 35.167 -1.084 1.00 65.24 ATOM 651 O VAL 41 -13.803 35.739 -2.153 1.00 34.11 ATOM 652 N ASN 42 -13.220 35.286 -0.029 1.00 3.55 ATOM 653 HN ASN 42 -13.402 34.749 0.770 1.00 38.17 ATOM 654 CA ASN 42 -12.051 36.181 -0.043 1.00 63.34 ATOM 655 HA ASN 42 -12.351 37.094 -0.540 1.00 41.22 ATOM 656 CB ASN 42 -11.610 36.532 1.389 1.00 44.22 ATOM 657 HB1 ASN 42 -10.625 36.982 1.356 1.00 38.17 ATOM 658 HB2 ASN 42 -11.560 35.626 1.974 1.00 75.14 ATOM 659 CG ASN 42 -12.556 37.496 2.093 1.00 21.01 ATOM 660 OD1 ASN 42 -12.123 38.361 2.847 1.00 34.14 ATOM 661 ND2 ASN 42 -13.848 37.353 1.876 1.00 13.42 ATOM 662 HD21 ASN 42 -14.143 36.641 1.277 1.00 23.41 ATOM 663 HD22 ASN 42 -14.458 37.964 2.339 1.00 63.32 ATOM 664 C ASN 42 -10.864 35.582 -0.819 1.00 23.55 ATOM 665 O ASN 42 -10.241 36.268 -1.631 1.00 71.03 ATOM 666 N LEU 43 -10.551 34.312 -0.567 1.00 44.01 ATOM 667 HN LEU 43 -11.109 33.794 0.055 1.00 38.17 ATOM 668 CA LEU 43 -9.397 33.664 -1.204 1.00 61.10 ATOM 669 HA LEU 43 -8.533 34.283 -1.005 1.00 52.33 ATOM 670 CB LEU 43 -9.152 32.273 -0.600 1.00 51.31 ATOM 671 HB1 LEU 43 -8.375 31.787 -1.177 1.00 38.17 ATOM 672 HB2 LEU 43 -10.062 31.696 -0.703 1.00 75.52 ATOM 673 CG LEU 43 -8.733 32.251 0.880 1.00 1.02 ATOM 674 HG LEU 43 -9.552 32.623 1.483 1.00 21.31 ATOM 675 CD1 LEU 43 -8.437 30.823 1.330 1.00 24.35 ATOM 676 HD11 LEU 43 -8.155 30.823 2.373 1.00 54.44 ATOM 677 HD12 LEU 43 -7.627 30.417 0.739 1.00 33.22 ATOM 678 HD13 LEU 43 -9.318 30.212 1.196 1.00 14.41 ATOM 679 CD2 LEU 43 -7.526 33.157 1.117 1.00 25.24 ATOM 680 HD21 LEU 43 -7.240 33.111 2.158 1.00 0.41 ATOM 681 HD22 LEU 43 -7.783 34.175 0.862 1.00 34.23 ATOM 682 HD23 LEU 43 -6.700 32.829 0.503 1.00 41.11 ATOM 683 C LEU 43 -9.567 33.542 -2.729 1.00 71.13 ATOM 684 O LEU 43 -10.643 33.191 -3.223 1.00 73.22 ATOM 685 N PRO 44 -8.502 33.831 -3.501 1.00 61.34 ATOM 686 CA PRO 44 -8.525 33.689 -4.967 1.00 40.30 ATOM 687 HA PRO 44 -9.379 34.192 -5.401 1.00 71.40 ATOM 688 CB PRO 44 -7.234 34.389 -5.403 1.00 43.40 ATOM 689 HB1 PRO 44 -7.439 35.428 -5.618 1.00 38.17 ATOM 690 HB2 PRO 44 -6.837 33.907 -6.286 1.00 21.33 ATOM 691 CG PRO 44 -6.314 34.245 -4.238 1.00 61.42 ATOM 692 HG1 PRO 44 -5.595 35.052 -4.232 1.00 38.17 ATOM 693 HG2 PRO 44 -5.806 33.290 -4.285 1.00 41.45 ATOM 694 CD PRO 44 -7.190 34.314 -3.014 1.00 45.53 ATOM 695 HD1 PRO 44 -7.263 35.332 -2.657 1.00 38.17 ATOM 696 HD2 PRO 44 -6.805 33.669 -2.236 1.00 22.34 ATOM 697 C PRO 44 -8.520 32.214 -5.401 1.00 60.52 ATOM 698 O PRO 44 -8.332 31.323 -4.573 1.00 65.21 ATOM 699 N VAL 45 -8.708 31.951 -6.697 1.00 32.42 ATOM 700 HN VAL 45 -8.827 32.695 -7.328 1.00 38.17 ATOM 701 CA VAL 45 -8.734 30.568 -7.199 1.00 31.23 ATOM 702 HA VAL 45 -9.560 30.062 -6.714 1.00 22.40 ATOM 703 CB VAL 45 -8.973 30.515 -8.733 1.00 70.20 ATOM 704 HB VAL 45 -9.856 31.101 -8.951 1.00 63.41 ATOM 705 CG1 VAL 45 -7.804 31.133 -9.495 1.00 40.52 ATOM 706 HG11 VAL 45 -7.665 32.155 -9.174 1.00 73.11 ATOM 707 HG12 VAL 45 -8.012 31.114 -10.555 1.00 75.34 ATOM 708 HG13 VAL 45 -6.903 30.569 -9.297 1.00 20.05 ATOM 709 CG2 VAL 45 -9.235 29.081 -9.198 1.00 22.14 ATOM 710 HG21 VAL 45 -10.117 28.698 -8.705 1.00 54.10 ATOM 711 HG22 VAL 45 -8.387 28.459 -8.950 1.00 12.41 ATOM 712 HG23 VAL 45 -9.387 29.068 -10.268 1.00 22.22 ATOM 713 C VAL 45 -7.431 29.824 -6.847 1.00 14.24 ATOM 714 O VAL 45 -7.434 28.613 -6.620 1.00 34.54 ATOM 715 N ASP 46 -6.331 30.575 -6.777 1.00 5.33 ATOM 716 HN ASP 46 -6.398 31.527 -7.002 1.00 38.17 ATOM 717 CA ASP 46 -5.024 30.034 -6.391 1.00 70.22 ATOM 718 HA ASP 46 -4.712 29.335 -7.156 1.00 70.42 ATOM 719 CB ASP 46 -4.002 31.175 -6.304 1.00 53.33 ATOM 720 HB1 ASP 46 -3.017 30.756 -6.147 1.00 38.17 ATOM 721 HB2 ASP 46 -4.251 31.812 -5.466 1.00 34.24 ATOM 722 CG ASP 46 -3.971 32.028 -7.562 1.00 30.43 ATOM 723 OD1 ASP 46 -4.878 32.873 -7.741 1.00 51.55 ATOM 724 OD2 ASP 46 -3.035 31.871 -8.373 1.00 14.35 ATOM 725 C ASP 46 -5.100 29.297 -5.040 1.00 71.01 ATOM 726 O ASP 46 -4.863 28.089 -4.963 1.00 72.24 ATOM 727 N ASP 47 -5.442 30.033 -3.981 1.00 42.22 ATOM 728 HN ASP 47 -5.596 30.994 -4.098 1.00 38.17 ATOM 729 CA ASP 47 -5.591 29.445 -2.646 1.00 71.32 ATOM 730 HA ASP 47 -4.714 28.842 -2.455 1.00 21.31 ATOM 731 CB ASP 47 -5.674 30.544 -1.584 1.00 61.41 ATOM 732 HB1 ASP 47 -5.917 30.098 -0.628 1.00 38.17 ATOM 733 HB2 ASP 47 -6.456 31.241 -1.856 1.00 1.24 ATOM 734 CG ASP 47 -4.372 31.307 -1.442 1.00 64.32 ATOM 735 OD1 ASP 47 -3.424 30.764 -0.831 1.00 24.20 ATOM 736 OD2 ASP 47 -4.289 32.454 -1.923 1.00 25.55 ATOM 737 C ASP 47 -6.829 28.543 -2.556 1.00 43.53 ATOM 738 O ASP 47 -6.839 27.576 -1.803 1.00 43.32 ATOM 739 N PHE 48 -7.865 28.867 -3.328 1.00 64.12 ATOM 740 HN PHE 48 -7.790 29.652 -3.909 1.00 38.17 ATOM 741 CA PHE 48 -9.118 28.098 -3.335 1.00 30.11 ATOM 742 HA PHE 48 -9.534 28.139 -2.337 1.00 71.01 ATOM 743 CB PHE 48 -10.112 28.739 -4.316 1.00 32.20 ATOM 744 HB1 PHE 48 -9.713 28.661 -5.319 1.00 38.17 ATOM 745 HB2 PHE 48 -10.225 29.785 -4.067 1.00 31.34 ATOM 746 CG PHE 48 -11.485 28.117 -4.311 1.00 62.10 ATOM 747 CD1 PHE 48 -11.868 27.225 -5.305 1.00 20.34 ATOM 748 HD1 PHE 48 -11.167 26.968 -6.087 1.00 74.10 ATOM 749 CD2 PHE 48 -12.399 28.433 -3.315 1.00 63.54 ATOM 750 HD2 PHE 48 -12.114 29.125 -2.536 1.00 3.40 ATOM 751 CE1 PHE 48 -13.131 26.662 -5.303 1.00 61.32 ATOM 752 HE1 PHE 48 -13.417 25.969 -6.083 1.00 42.14 ATOM 753 CE2 PHE 48 -13.661 27.873 -3.309 1.00 73.31 ATOM 754 HE2 PHE 48 -14.361 28.129 -2.527 1.00 4.21 ATOM 755 CZ PHE 48 -14.029 26.987 -4.304 1.00 22.10 ATOM 756 HZ PHE 48 -15.017 26.548 -4.300 1.00 32.42 ATOM 757 C PHE 48 -8.871 26.626 -3.711 1.00 41.41 ATOM 758 O PHE 48 -9.345 25.711 -3.032 1.00 24.51 ATOM 759 N ASN 49 -8.124 26.407 -4.794 1.00 70.44 ATOM 760 HN ASN 49 -7.810 27.178 -5.319 1.00 38.17 ATOM 761 CA ASN 49 -7.760 25.051 -5.230 1.00 65.12 ATOM 762 HA ASN 49 -8.674 24.516 -5.444 1.00 25.51 ATOM 763 CB ASN 49 -6.911 25.113 -6.505 1.00 22.11 ATOM 764 HB1 ASN 49 -6.571 24.120 -6.755 1.00 38.17 ATOM 765 HB2 ASN 49 -6.053 25.747 -6.329 1.00 1.10 ATOM 766 CG ASN 49 -7.680 25.669 -7.690 1.00 42.45 ATOM 767 OD1 ASN 49 -8.895 25.522 -7.785 1.00 62.04 ATOM 768 ND2 ASN 49 -6.979 26.305 -8.605 1.00 3.24 ATOM 769 HD21 ASN 49 -6.014 26.386 -8.475 1.00 42.21 ATOM 770 HD22 ASN 49 -7.456 26.667 -9.380 1.00 23.22 ATOM 771 C ASN 49 -6.994 24.295 -4.132 1.00 2.13 ATOM 772 O ASN 49 -7.235 23.108 -3.885 1.00 22.50 ATOM 773 N GLU 50 -6.067 24.991 -3.481 1.00 53.34 ATOM 774 HN GLU 50 -5.898 25.920 -3.747 1.00 38.17 ATOM 775 CA GLU 50 -5.287 24.413 -2.381 1.00 0.25 ATOM 776 HA GLU 50 -4.933 23.443 -2.700 1.00 33.41 ATOM 777 CB GLU 50 -4.077 25.306 -2.071 1.00 44.33 ATOM 778 HB1 GLU 50 -3.550 24.899 -1.219 1.00 38.17 ATOM 779 HB2 GLU 50 -4.432 26.295 -1.821 1.00 21.14 ATOM 780 CG GLU 50 -3.088 25.434 -3.227 1.00 50.31 ATOM 781 HG1 GLU 50 -2.323 26.147 -2.951 1.00 38.17 ATOM 782 HG2 GLU 50 -3.617 25.800 -4.096 1.00 32.43 ATOM 783 CD GLU 50 -2.418 24.113 -3.584 1.00 55.13 ATOM 784 OE1 GLU 50 -2.870 23.445 -4.538 1.00 3.10 ATOM 785 OE2 GLU 50 -1.435 23.739 -2.906 1.00 43.33 ATOM 786 C GLU 50 -6.144 24.232 -1.118 1.00 3.13 ATOM 787 O GLU 50 -5.960 23.283 -0.364 1.00 61.34 ATOM 788 N LEU 51 -7.093 25.139 -0.908 1.00 44.33 ATOM 789 HN LEU 51 -7.215 25.852 -1.565 1.00 38.17 ATOM 790 CA LEU 51 -7.979 25.101 0.264 1.00 71.54 ATOM 791 HA LEU 51 -7.365 25.170 1.153 1.00 45.15 ATOM 792 CB LEU 51 -8.942 26.298 0.216 1.00 44.11 ATOM 793 HB1 LEU 51 -9.558 26.199 -0.669 1.00 38.17 ATOM 794 HB2 LEU 51 -8.352 27.200 0.117 1.00 54.32 ATOM 795 CG LEU 51 -9.872 26.465 1.430 1.00 21.15 ATOM 796 HG LEU 51 -10.391 25.533 1.606 1.00 73.51 ATOM 797 CD1 LEU 51 -9.069 26.797 2.687 1.00 64.12 ATOM 798 HD11 LEU 51 -8.377 25.994 2.896 1.00 1.23 ATOM 799 HD12 LEU 51 -9.743 26.915 3.524 1.00 51.13 ATOM 800 HD13 LEU 51 -8.519 27.716 2.537 1.00 61.53 ATOM 801 CD2 LEU 51 -10.921 27.543 1.158 1.00 53.44 ATOM 802 HD21 LEU 51 -11.498 27.272 0.285 1.00 53.45 ATOM 803 HD22 LEU 51 -10.432 28.491 0.988 1.00 3.05 ATOM 804 HD23 LEU 51 -11.580 27.628 2.011 1.00 50.13 ATOM 805 C LEU 51 -8.768 23.788 0.297 1.00 3.33 ATOM 806 O LEU 51 -8.755 23.060 1.291 1.00 2.05 ATOM 807 N LEU 52 -9.430 23.487 -0.817 1.00 25.24 ATOM 808 HN LEU 52 -9.420 24.128 -1.562 1.00 38.17 ATOM 809 CA LEU 52 -10.177 22.235 -0.969 1.00 24.23 ATOM 810 HA LEU 52 -10.889 22.172 -0.158 1.00 62.40 ATOM 811 CB LEU 52 -10.937 22.241 -2.302 1.00 1.20 ATOM 812 HB1 LEU 52 -11.488 21.315 -2.382 1.00 38.17 ATOM 813 HB2 LEU 52 -10.211 22.278 -3.105 1.00 63.22 ATOM 814 CG LEU 52 -11.922 23.407 -2.491 1.00 52.23 ATOM 815 HG LEU 52 -11.372 24.336 -2.448 1.00 75.43 ATOM 816 CD1 LEU 52 -12.602 23.333 -3.859 1.00 64.34 ATOM 817 HD11 LEU 52 -13.273 24.172 -3.972 1.00 41.34 ATOM 818 HD12 LEU 52 -13.162 22.411 -3.937 1.00 63.21 ATOM 819 HD13 LEU 52 -11.854 23.367 -4.637 1.00 45.14 ATOM 820 CD2 LEU 52 -12.958 23.427 -1.370 1.00 3.22 ATOM 821 HD21 LEU 52 -13.500 22.492 -1.359 1.00 72.25 ATOM 822 HD22 LEU 52 -13.649 24.240 -1.534 1.00 21.41 ATOM 823 HD23 LEU 52 -12.460 23.567 -0.420 1.00 3.43 ATOM 824 C LEU 52 -9.250 21.009 -0.911 1.00 75.13 ATOM 825 O LEU 52 -9.705 19.887 -0.700 1.00 10.41 ATOM 826 N ALA 53 -7.953 21.228 -1.135 1.00 10.10 ATOM 827 HN ALA 53 -7.658 22.137 -1.352 1.00 38.17 ATOM 828 CA ALA 53 -6.955 20.150 -1.079 1.00 72.00 ATOM 829 HA ALA 53 -7.439 19.232 -1.387 1.00 31.51 ATOM 830 CB ALA 53 -5.823 20.436 -2.060 1.00 22.34 ATOM 831 HB1 ALA 53 -5.295 21.328 -1.752 1.00 4.25 ATOM 832 HB2 ALA 53 -6.231 20.586 -3.048 1.00 14.12 ATOM 833 HB3 ALA 53 -5.139 19.600 -2.077 1.00 72.31 ATOM 834 C ALA 53 -6.392 19.962 0.341 1.00 12.32 ATOM 835 O ALA 53 -6.039 18.850 0.736 1.00 63.52 ATOM 836 N ARG 54 -6.305 21.054 1.098 1.00 31.22 ATOM 837 HN ARG 54 -6.615 21.907 0.730 1.00 38.17 ATOM 838 CA ARG 54 -5.766 21.018 2.464 1.00 41.02 ATOM 839 HA ARG 54 -4.851 20.443 2.437 1.00 63.15 ATOM 840 CB ARG 54 -5.438 22.442 2.953 1.00 5.14 ATOM 841 HB1 ARG 54 -5.178 22.405 4.000 1.00 38.17 ATOM 842 HB2 ARG 54 -6.318 23.063 2.835 1.00 12.03 ATOM 843 CG ARG 54 -4.286 23.101 2.197 1.00 0.14 ATOM 844 HG1 ARG 54 -4.596 23.287 1.179 1.00 38.17 ATOM 845 HG2 ARG 54 -3.440 22.429 2.197 1.00 24.05 ATOM 846 CD ARG 54 -3.861 24.422 2.834 1.00 61.12 ATOM 847 HD1 ARG 54 -3.528 24.230 3.844 1.00 38.17 ATOM 848 HD2 ARG 54 -4.712 25.088 2.859 1.00 23.05 ATOM 849 NE ARG 54 -2.776 25.070 2.092 1.00 2.11 ATOM 850 HE ARG 54 -2.996 25.876 1.583 1.00 24.20 ATOM 851 CZ ARG 54 -1.534 24.653 2.081 1.00 61.13 ATOM 852 NH1 ARG 54 -1.185 23.579 2.721 1.00 3.25 ATOM 853 HH11 ARG 54 -1.862 23.059 3.230 1.00 2.44 ATOM 854 HH12 ARG 54 -0.233 23.270 2.694 1.00 52.21 ATOM 855 NH2 ARG 54 -0.636 25.313 1.429 1.00 20.00 ATOM 856 HH21 ARG 54 -0.882 26.145 0.937 1.00 35.12 ATOM 857 HH22 ARG 54 0.309 24.988 1.417 1.00 44.00 ATOM 858 C ARG 54 -6.739 20.333 3.434 1.00 20.31 ATOM 859 O ARG 54 -6.333 19.535 4.283 1.00 1.01 ATOM 860 N TYR 55 -8.022 20.648 3.304 1.00 4.23 ATOM 861 HN TYR 55 -8.283 21.311 2.630 1.00 38.17 ATOM 862 CA TYR 55 -9.058 20.026 4.133 1.00 13.22 ATOM 863 HA TYR 55 -8.625 19.820 5.104 1.00 41.04 ATOM 864 CB TYR 55 -10.237 20.990 4.311 1.00 4.14 ATOM 865 HB1 TYR 55 -11.033 20.484 4.843 1.00 38.17 ATOM 866 HB2 TYR 55 -10.599 21.289 3.339 1.00 12.13 ATOM 867 CG TYR 55 -9.880 22.247 5.086 1.00 53.41 ATOM 868 CD1 TYR 55 -10.168 22.357 6.444 1.00 5.03 ATOM 869 HD1 TYR 55 -10.659 21.535 6.946 1.00 51.31 ATOM 870 CD2 TYR 55 -9.249 23.318 4.463 1.00 0.11 ATOM 871 HD2 TYR 55 -9.016 23.252 3.410 1.00 74.42 ATOM 872 CE1 TYR 55 -9.844 23.498 7.152 1.00 65.21 ATOM 873 HE1 TYR 55 -10.074 23.563 8.204 1.00 1.02 ATOM 874 CE2 TYR 55 -8.921 24.459 5.166 1.00 32.05 ATOM 875 HE2 TYR 55 -8.430 25.278 4.665 1.00 24.42 ATOM 876 CZ TYR 55 -9.220 24.544 6.508 1.00 72.12 ATOM 877 OH TYR 55 -8.898 25.685 7.207 1.00 43.41 ATOM 878 HH TYR 55 -8.539 25.439 8.066 1.00 22.20 ATOM 879 C TYR 55 -9.535 18.701 3.513 1.00 63.21 ATOM 880 O TYR 55 -9.631 18.578 2.291 1.00 4.44 ATOM 881 N PRO 56 -9.840 17.688 4.349 1.00 65.13 ATOM 882 CA PRO 56 -10.255 16.351 3.872 1.00 35.12 ATOM 883 HA PRO 56 -9.595 15.986 3.099 1.00 24.33 ATOM 884 CB PRO 56 -10.095 15.486 5.130 1.00 22.51 ATOM 885 HB1 PRO 56 -9.091 15.084 5.171 1.00 38.17 ATOM 886 HB2 PRO 56 -10.812 14.676 5.115 1.00 23.41 ATOM 887 CG PRO 56 -10.352 16.422 6.261 1.00 50.21 ATOM 888 HG1 PRO 56 -9.844 16.074 7.149 1.00 38.17 ATOM 889 HG2 PRO 56 -11.416 16.498 6.443 1.00 4.55 ATOM 890 CD PRO 56 -9.797 17.755 5.827 1.00 34.41 ATOM 891 HD1 PRO 56 -8.781 17.872 6.177 1.00 38.17 ATOM 892 HD2 PRO 56 -10.417 18.561 6.195 1.00 4.55 ATOM 893 C PRO 56 -11.709 16.313 3.359 1.00 30.45 ATOM 894 O PRO 56 -12.447 15.355 3.616 1.00 3.33 ATOM 895 N LEU 57 -12.096 17.327 2.589 1.00 14.53 ATOM 896 HN LEU 57 -11.433 17.995 2.319 1.00 38.17 ATOM 897 CA LEU 57 -13.475 17.463 2.110 1.00 4.03 ATOM 898 HA LEU 57 -14.133 17.335 2.960 1.00 72.13 ATOM 899 CB LEU 57 -13.698 18.866 1.518 1.00 64.51 ATOM 900 HB1 LEU 57 -14.740 18.952 1.240 1.00 38.17 ATOM 901 HB2 LEU 57 -13.100 18.957 0.616 1.00 21.51 ATOM 902 CG LEU 57 -13.355 20.044 2.446 1.00 62.21 ATOM 903 HG LEU 57 -12.309 19.988 2.711 1.00 34.51 ATOM 904 CD1 LEU 57 -13.584 21.375 1.734 1.00 54.31 ATOM 905 HD11 LEU 57 -13.348 22.190 2.405 1.00 33.45 ATOM 906 HD12 LEU 57 -14.620 21.450 1.430 1.00 53.41 ATOM 907 HD13 LEU 57 -12.949 21.433 0.861 1.00 54.33 ATOM 908 CD2 LEU 57 -14.170 19.974 3.738 1.00 12.33 ATOM 909 HD21 LEU 57 -13.920 20.813 4.371 1.00 44.23 ATOM 910 HD22 LEU 57 -13.945 19.054 4.259 1.00 12.10 ATOM 911 HD23 LEU 57 -15.226 20.005 3.503 1.00 15.24 ATOM 912 C LEU 57 -13.820 16.399 1.054 1.00 51.41 ATOM 913 O LEU 57 -12.960 15.957 0.287 1.00 54.14 ATOM 914 N THR 58 -15.085 15.987 1.030 1.00 64.12 ATOM 915 HN THR 58 -15.701 16.312 1.719 1.00 38.17 ATOM 916 CA THR 58 -15.589 15.063 0.007 1.00 45.31 ATOM 917 HA THR 58 -14.768 14.448 -0.336 1.00 32.35 ATOM 918 CB THR 58 -16.700 14.143 0.562 1.00 61.22 ATOM 919 HB THR 58 -16.965 13.423 -0.202 1.00 65.14 ATOM 920 OG1 THR 58 -17.862 14.922 0.892 1.00 62.01 ATOM 921 HG1 THR 58 -18.497 14.367 1.361 1.00 33.54 ATOM 922 CG2 THR 58 -16.222 13.387 1.798 1.00 51.33 ATOM 923 HG21 THR 58 -15.363 12.781 1.543 1.00 52.03 ATOM 924 HG22 THR 58 -17.016 12.750 2.160 1.00 70.43 ATOM 925 HG23 THR 58 -15.948 14.092 2.570 1.00 24.30 ATOM 926 C THR 58 -16.167 15.844 -1.176 1.00 11.54 ATOM 927 O THR 58 -16.486 17.026 -1.041 1.00 52.21 ATOM 928 N GLU 59 -16.320 15.189 -2.327 1.00 54.05 ATOM 929 HN GLU 59 -16.054 14.244 -2.378 1.00 38.17 ATOM 930 CA GLU 59 -16.867 15.844 -3.526 1.00 73.14 ATOM 931 HA GLU 59 -16.117 16.532 -3.893 1.00 71.31 ATOM 932 CB GLU 59 -17.159 14.804 -4.614 1.00 20.32 ATOM 933 HB1 GLU 59 -17.688 15.287 -5.425 1.00 38.17 ATOM 934 HB2 GLU 59 -17.793 14.035 -4.195 1.00 41.00 ATOM 935 CG GLU 59 -15.919 14.131 -5.191 1.00 32.20 ATOM 936 HG1 GLU 59 -15.399 13.613 -4.394 1.00 38.17 ATOM 937 HG2 GLU 59 -15.270 14.892 -5.606 1.00 53.52 ATOM 938 CD GLU 59 -16.262 13.133 -6.286 1.00 62.43 ATOM 939 OE1 GLU 59 -16.082 11.916 -6.074 1.00 61.33 ATOM 940 OE2 GLU 59 -16.745 13.560 -7.358 1.00 54.20 ATOM 941 C GLU 59 -18.148 16.638 -3.214 1.00 14.04 ATOM 942 O GLU 59 -18.325 17.764 -3.685 1.00 34.44 ATOM 943 N SER 60 -19.031 16.047 -2.408 1.00 40.44 ATOM 944 HN SER 60 -18.846 15.135 -2.091 1.00 38.17 ATOM 945 CA SER 60 -20.278 16.711 -1.991 1.00 73.30 ATOM 946 HA SER 60 -20.862 16.905 -2.880 1.00 72.44 ATOM 947 CB SER 60 -21.088 15.801 -1.054 1.00 25.20 ATOM 948 HB1 SER 60 -22.012 16.294 -0.785 1.00 38.17 ATOM 949 HB2 SER 60 -20.514 15.605 -0.160 1.00 34.34 ATOM 950 OG SER 60 -21.399 14.559 -1.674 1.00 41.44 ATOM 951 HG SER 60 -22.239 14.234 -1.330 1.00 11.32 ATOM 952 C SER 60 -19.994 18.048 -1.287 1.00 2.31 ATOM 953 O SER 60 -20.747 19.014 -1.428 1.00 74.04 ATOM 954 N GLN 61 -18.900 18.092 -0.529 1.00 23.42 ATOM 955 HN GLN 61 -18.340 17.288 -0.459 1.00 38.17 ATOM 956 CA GLN 61 -18.499 19.300 0.202 1.00 21.11 ATOM 957 HA GLN 61 -19.393 19.735 0.625 1.00 53.34 ATOM 958 CB GLN 61 -17.544 18.930 1.348 1.00 33.42 ATOM 959 HB1 GLN 61 -17.204 19.839 1.827 1.00 38.17 ATOM 960 HB2 GLN 61 -16.689 18.412 0.935 1.00 44.34 ATOM 961 CG GLN 61 -18.180 18.035 2.411 1.00 65.33 ATOM 962 HG1 GLN 61 -18.547 17.136 1.934 1.00 38.17 ATOM 963 HG2 GLN 61 -19.010 18.565 2.858 1.00 31.23 ATOM 964 CD GLN 61 -17.209 17.639 3.515 1.00 14.15 ATOM 965 OE1 GLN 61 -16.522 16.625 3.423 1.00 34.53 ATOM 966 NE2 GLN 61 -17.153 18.419 4.576 1.00 53.23 ATOM 967 HE21 GLN 61 -17.734 19.208 4.605 1.00 31.12 ATOM 968 HE22 GLN 61 -16.532 18.175 5.292 1.00 20.14 ATOM 969 C GLN 61 -17.846 20.340 -0.730 1.00 22.44 ATOM 970 O GLN 61 -18.196 21.521 -0.686 1.00 70.31 ATOM 971 N LEU 62 -16.907 19.901 -1.580 1.00 62.03 ATOM 972 HN LEU 62 -16.657 18.952 -1.567 1.00 38.17 ATOM 973 CA LEU 62 -16.249 20.812 -2.537 1.00 33.15 ATOM 974 HA LEU 62 -15.724 21.563 -1.962 1.00 0.23 ATOM 975 CB LEU 62 -15.230 20.072 -3.429 1.00 14.43 ATOM 976 HB1 LEU 62 -15.002 20.708 -4.275 1.00 38.17 ATOM 977 HB2 LEU 62 -15.704 19.175 -3.802 1.00 55.15 ATOM 978 CG LEU 62 -13.898 19.669 -2.763 1.00 33.22 ATOM 979 HG LEU 62 -13.554 20.482 -2.138 1.00 61.22 ATOM 980 CD1 LEU 62 -14.074 18.454 -1.869 1.00 0.13 ATOM 981 HD11 LEU 62 -14.405 17.611 -2.462 1.00 25.42 ATOM 982 HD12 LEU 62 -14.811 18.669 -1.111 1.00 23.45 ATOM 983 HD13 LEU 62 -13.132 18.214 -1.396 1.00 23.32 ATOM 984 CD2 LEU 62 -12.828 19.408 -3.822 1.00 11.34 ATOM 985 HD21 LEU 62 -12.688 20.298 -4.419 1.00 45.42 ATOM 986 HD22 LEU 62 -13.140 18.594 -4.460 1.00 1.42 ATOM 987 HD23 LEU 62 -11.897 19.149 -3.339 1.00 1.41 ATOM 988 C LEU 62 -17.280 21.520 -3.432 1.00 71.40 ATOM 989 O LEU 62 -17.211 22.733 -3.639 1.00 43.21 ATOM 990 N ALA 63 -18.232 20.748 -3.960 1.00 41.33 ATOM 991 HN ALA 63 -18.213 19.782 -3.779 1.00 38.17 ATOM 992 CA ALA 63 -19.300 21.292 -4.808 1.00 73.34 ATOM 993 HA ALA 63 -18.845 21.661 -5.719 1.00 42.12 ATOM 994 CB ALA 63 -20.280 20.184 -5.186 1.00 45.11 ATOM 995 HB1 ALA 63 -21.059 20.588 -5.817 1.00 42.54 ATOM 996 HB2 ALA 63 -20.720 19.771 -4.291 1.00 5.13 ATOM 997 HB3 ALA 63 -19.755 19.404 -5.720 1.00 25.34 ATOM 998 C ALA 63 -20.040 22.449 -4.118 1.00 41.35 ATOM 999 O ALA 63 -20.317 23.481 -4.733 1.00 3.11 ATOM 1000 N LEU 64 -20.345 22.277 -2.832 1.00 63.03 ATOM 1001 HN LEU 64 -20.113 21.429 -2.396 1.00 38.17 ATOM 1002 CA LEU 64 -21.023 23.319 -2.055 1.00 1.31 ATOM 1003 HA LEU 64 -21.926 23.586 -2.585 1.00 1.15 ATOM 1004 CB LEU 64 -21.403 22.799 -0.665 1.00 1.14 ATOM 1005 HB1 LEU 64 -20.499 22.494 -0.156 1.00 38.17 ATOM 1006 HB2 LEU 64 -22.034 21.928 -0.790 1.00 0.02 ATOM 1007 CG LEU 64 -22.139 23.817 0.223 1.00 5.32 ATOM 1008 HG LEU 64 -21.551 24.725 0.273 1.00 14.31 ATOM 1009 CD1 LEU 64 -23.501 24.182 -0.372 1.00 24.44 ATOM 1010 HD11 LEU 64 -24.121 23.299 -0.433 1.00 12.24 ATOM 1011 HD12 LEU 64 -23.365 24.594 -1.362 1.00 22.25 ATOM 1012 HD13 LEU 64 -23.984 24.917 0.257 1.00 21.14 ATOM 1013 CD2 LEU 64 -22.289 23.281 1.642 1.00 41.14 ATOM 1014 HD21 LEU 64 -22.843 22.355 1.623 1.00 13.23 ATOM 1015 HD22 LEU 64 -22.817 24.004 2.246 1.00 61.22 ATOM 1016 HD23 LEU 64 -21.310 23.107 2.068 1.00 33.10 ATOM 1017 C LEU 64 -20.149 24.577 -1.914 1.00 12.42 ATOM 1018 O LEU 64 -20.621 25.698 -2.116 1.00 44.40 ATOM 1019 N VAL 65 -18.876 24.382 -1.568 1.00 31.43 ATOM 1020 HN VAL 65 -18.562 23.466 -1.405 1.00 38.17 ATOM 1021 CA VAL 65 -17.929 25.497 -1.427 1.00 11.44 ATOM 1022 HA VAL 65 -18.265 26.115 -0.604 1.00 4.13 ATOM 1023 CB VAL 65 -16.504 24.979 -1.097 1.00 72.54 ATOM 1024 HB VAL 65 -16.168 24.366 -1.924 1.00 11.11 ATOM 1025 CG1 VAL 65 -15.520 26.134 -0.937 1.00 21.42 ATOM 1026 HG11 VAL 65 -15.823 26.757 -0.108 1.00 71.42 ATOM 1027 HG12 VAL 65 -15.508 26.724 -1.842 1.00 10.12 ATOM 1028 HG13 VAL 65 -14.530 25.743 -0.751 1.00 30.51 ATOM 1029 CG2 VAL 65 -16.526 24.109 0.161 1.00 44.54 ATOM 1030 HG21 VAL 65 -15.530 23.745 0.367 1.00 52.51 ATOM 1031 HG22 VAL 65 -17.190 23.270 0.010 1.00 2.51 ATOM 1032 HG23 VAL 65 -16.876 24.694 1.001 1.00 33.40 ATOM 1033 C VAL 65 -17.890 26.355 -2.707 1.00 51.33 ATOM 1034 O VAL 65 -17.779 27.584 -2.648 1.00 43.35 ATOM 1035 N ARG 66 -17.998 25.696 -3.861 1.00 75.23 ATOM 1036 HN ARG 66 -18.026 24.715 -3.844 1.00 38.17 ATOM 1037 CA ARG 66 -18.071 26.392 -5.153 1.00 63.24 ATOM 1038 HA ARG 66 -17.196 27.020 -5.242 1.00 52.05 ATOM 1039 CB ARG 66 -18.076 25.377 -6.304 1.00 2.33 ATOM 1040 HB1 ARG 66 -18.140 25.916 -7.239 1.00 38.17 ATOM 1041 HB2 ARG 66 -18.946 24.743 -6.207 1.00 32.12 ATOM 1042 CG ARG 66 -16.839 24.487 -6.353 1.00 33.22 ATOM 1043 HG1 ARG 66 -16.708 24.015 -5.390 1.00 38.17 ATOM 1044 HG2 ARG 66 -15.975 25.097 -6.575 1.00 32.42 ATOM 1045 CD ARG 66 -16.964 23.409 -7.420 1.00 34.12 ATOM 1046 HD1 ARG 66 -17.089 23.885 -8.382 1.00 38.17 ATOM 1047 HD2 ARG 66 -17.836 22.805 -7.205 1.00 31.43 ATOM 1048 NE ARG 66 -15.783 22.547 -7.469 1.00 13.12 ATOM 1049 HE ARG 66 -14.907 22.983 -7.458 1.00 31.22 ATOM 1050 CZ ARG 66 -15.826 21.245 -7.548 1.00 35.15 ATOM 1051 NH1 ARG 66 -16.966 20.625 -7.547 1.00 35.01 ATOM 1052 HH11 ARG 66 -17.814 21.143 -7.489 1.00 51.50 ATOM 1053 HH12 ARG 66 -16.992 19.627 -7.597 1.00 24.21 ATOM 1054 NH2 ARG 66 -14.726 20.566 -7.621 1.00 15.31 ATOM 1055 HH21 ARG 66 -13.845 21.039 -7.609 1.00 44.34 ATOM 1056 HH22 ARG 66 -14.757 19.570 -7.709 1.00 44.12 ATOM 1057 C ARG 66 -19.328 27.276 -5.243 1.00 44.52 ATOM 1058 O ARG 66 -19.255 28.446 -5.635 1.00 21.13 ATOM 1059 N ASP 67 -20.477 26.703 -4.874 1.00 53.15 ATOM 1060 HN ASP 67 -20.465 25.765 -4.584 1.00 38.17 ATOM 1061 CA ASP 67 -21.758 27.422 -4.884 1.00 64.01 ATOM 1062 HA ASP 67 -21.935 27.771 -5.893 1.00 15.31 ATOM 1063 CB ASP 67 -22.889 26.462 -4.481 1.00 42.24 ATOM 1064 HB1 ASP 67 -22.733 26.143 -3.458 1.00 38.17 ATOM 1065 HB2 ASP 67 -22.859 25.595 -5.126 1.00 71.14 ATOM 1066 CG ASP 67 -24.272 27.090 -4.588 1.00 74.23 ATOM 1067 OD1 ASP 67 -24.799 27.199 -5.719 1.00 72.32 ATOM 1068 OD2 ASP 67 -24.852 27.452 -3.541 1.00 35.24 ATOM 1069 C ASP 67 -21.720 28.637 -3.936 1.00 22.04 ATOM 1070 O ASP 67 -22.198 29.721 -4.279 1.00 65.14 ATOM 1071 N ILE 68 -21.134 28.446 -2.752 1.00 73.51 ATOM 1072 HN ILE 68 -20.799 27.551 -2.530 1.00 38.17 ATOM 1073 CA ILE 68 -20.973 29.533 -1.776 1.00 63.23 ATOM 1074 HA ILE 68 -21.958 29.923 -1.554 1.00 11.23 ATOM 1075 CB ILE 68 -20.345 29.019 -0.452 1.00 31.11 ATOM 1076 HB ILE 68 -19.389 28.569 -0.687 1.00 25.44 ATOM 1077 CG1 ILE 68 -21.254 27.956 0.189 1.00 44.21 ATOM 1078 HG11 ILE 68 -21.398 27.147 -0.513 1.00 38.17 ATOM 1079 HG12 ILE 68 -22.213 28.399 0.418 1.00 63.11 ATOM 1080 CG2 ILE 68 -20.097 30.178 0.519 1.00 44.43 ATOM 1081 HG21 ILE 68 -21.034 30.661 0.756 1.00 64.14 ATOM 1082 HG22 ILE 68 -19.429 30.897 0.062 1.00 63.21 ATOM 1083 HG23 ILE 68 -19.648 29.801 1.428 1.00 44.13 ATOM 1084 CD1 ILE 68 -20.700 27.365 1.470 1.00 42.12 ATOM 1085 HD11 ILE 68 -20.539 28.153 2.191 1.00 1.50 ATOM 1086 HD12 ILE 68 -19.763 26.870 1.262 1.00 51.11 ATOM 1087 HD13 ILE 68 -21.404 26.651 1.869 1.00 61.41 ATOM 1088 C ILE 68 -20.109 30.671 -2.343 1.00 74.32 ATOM 1089 O ILE 68 -20.450 31.845 -2.215 1.00 72.21 ATOM 1090 N ARG 69 -18.991 30.312 -2.973 1.00 23.13 ATOM 1091 HN ARG 69 -18.744 29.359 -2.998 1.00 38.17 ATOM 1092 CA ARG 69 -18.110 31.296 -3.619 1.00 61.11 ATOM 1093 HA ARG 69 -17.793 31.998 -2.859 1.00 61.33 ATOM 1094 CB ARG 69 -16.867 30.594 -4.189 1.00 52.44 ATOM 1095 HB1 ARG 69 -17.189 29.773 -4.816 1.00 38.17 ATOM 1096 HB2 ARG 69 -16.288 30.197 -3.366 1.00 44.13 ATOM 1097 CG ARG 69 -15.958 31.502 -5.018 1.00 72.25 ATOM 1098 HG1 ARG 69 -15.660 32.344 -4.409 1.00 38.17 ATOM 1099 HG2 ARG 69 -16.504 31.857 -5.882 1.00 11.53 ATOM 1100 CD ARG 69 -14.705 30.768 -5.494 1.00 55.03 ATOM 1101 HD1 ARG 69 -15.000 29.842 -5.969 1.00 38.17 ATOM 1102 HD2 ARG 69 -14.087 30.546 -4.636 1.00 52.42 ATOM 1103 NE ARG 69 -13.931 31.561 -6.449 1.00 72.45 ATOM 1104 HE ARG 69 -14.306 31.673 -7.349 1.00 33.02 ATOM 1105 CZ ARG 69 -12.773 32.105 -6.191 1.00 44.13 ATOM 1106 NH1 ARG 69 -12.241 32.000 -5.009 1.00 70.25 ATOM 1107 HH11 ARG 69 -12.716 31.496 -4.294 1.00 53.44 ATOM 1108 HH12 ARG 69 -11.363 32.429 -4.815 1.00 12.25 ATOM 1109 NH2 ARG 69 -12.161 32.766 -7.119 1.00 1.12 ATOM 1110 HH21 ARG 69 -12.574 32.849 -8.025 1.00 42.31 ATOM 1111 HH22 ARG 69 -11.281 33.193 -6.934 1.00 4.14 ATOM 1112 C ARG 69 -18.841 32.071 -4.732 1.00 61.43 ATOM 1113 O ARG 69 -18.740 33.299 -4.818 1.00 63.13 ATOM 1114 N ARG 70 -19.584 31.346 -5.570 1.00 40.15 ATOM 1115 HN ARG 70 -19.624 30.373 -5.443 1.00 38.17 ATOM 1116 CA ARG 70 -20.342 31.952 -6.673 1.00 24.42 ATOM 1117 HA ARG 70 -19.642 32.497 -7.291 1.00 3.54 ATOM 1118 CB ARG 70 -21.006 30.854 -7.525 1.00 33.12 ATOM 1119 HB1 ARG 70 -21.618 30.239 -6.879 1.00 38.17 ATOM 1120 HB2 ARG 70 -20.232 30.236 -7.958 1.00 73.03 ATOM 1121 CG ARG 70 -21.888 31.380 -8.660 1.00 52.54 ATOM 1122 HG1 ARG 70 -22.612 32.071 -8.250 1.00 38.17 ATOM 1123 HG2 ARG 70 -22.407 30.546 -9.109 1.00 63.31 ATOM 1124 CD ARG 70 -21.081 32.094 -9.746 1.00 43.12 ATOM 1125 HD1 ARG 70 -20.439 31.374 -10.233 1.00 38.17 ATOM 1126 HD2 ARG 70 -20.474 32.861 -9.284 1.00 20.43 ATOM 1127 NE ARG 70 -21.951 32.716 -10.745 1.00 61.54 ATOM 1128 HE ARG 70 -22.795 33.102 -10.429 1.00 4.11 ATOM 1129 CZ ARG 70 -21.685 32.795 -12.024 1.00 74.15 ATOM 1130 NH1 ARG 70 -20.594 32.304 -12.518 1.00 61.12 ATOM 1131 HH11 ARG 70 -19.931 31.853 -11.926 1.00 43.34 ATOM 1132 HH12 ARG 70 -20.421 32.376 -13.499 1.00 61.41 ATOM 1133 NH2 ARG 70 -22.525 33.370 -12.815 1.00 62.24 ATOM 1134 HH21 ARG 70 -23.372 33.751 -12.451 1.00 24.34 ATOM 1135 HH22 ARG 70 -22.326 33.429 -13.793 1.00 62.14 ATOM 1136 C ARG 70 -21.409 32.930 -6.151 1.00 44.41 ATOM 1137 O ARG 70 -21.443 34.093 -6.549 1.00 0.12 ATOM 1138 N ARG 71 -22.270 32.454 -5.254 1.00 25.23 ATOM 1139 HN ARG 71 -22.177 31.523 -4.949 1.00 38.17 ATOM 1140 CA ARG 71 -23.358 33.278 -4.710 1.00 74.52 ATOM 1141 HA ARG 71 -23.869 33.736 -5.545 1.00 24.30 ATOM 1142 CB ARG 71 -24.355 32.399 -3.945 1.00 52.23 ATOM 1143 HB1 ARG 71 -25.142 33.029 -3.552 1.00 38.17 ATOM 1144 HB2 ARG 71 -23.840 31.927 -3.120 1.00 25.23 ATOM 1145 CG ARG 71 -24.997 31.305 -4.796 1.00 53.13 ATOM 1146 HG1 ARG 71 -24.226 30.626 -5.132 1.00 38.17 ATOM 1147 HG2 ARG 71 -25.476 31.759 -5.653 1.00 31.21 ATOM 1148 CD ARG 71 -26.040 30.519 -4.005 1.00 52.21 ATOM 1149 HD1 ARG 71 -25.553 30.031 -3.172 1.00 38.17 ATOM 1150 HD2 ARG 71 -26.477 29.772 -4.653 1.00 53.42 ATOM 1151 NE ARG 71 -27.103 31.390 -3.501 1.00 64.41 ATOM 1152 HE ARG 71 -27.595 31.921 -4.158 1.00 21.40 ATOM 1153 CZ ARG 71 -27.429 31.511 -2.240 1.00 64.02 ATOM 1154 NH1 ARG 71 -26.823 30.820 -1.326 1.00 61.00 ATOM 1155 HH11 ARG 71 -26.097 30.180 -1.580 1.00 12.43 ATOM 1156 HH12 ARG 71 -27.083 30.925 -0.373 1.00 40.52 ATOM 1157 NH2 ARG 71 -28.363 32.334 -1.896 1.00 1.22 ATOM 1158 HH21 ARG 71 -28.835 32.870 -2.593 1.00 4.55 ATOM 1159 HH22 ARG 71 -28.610 32.434 -0.935 1.00 23.15 ATOM 1160 C ARG 71 -22.832 34.393 -3.786 1.00 51.50 ATOM 1161 O ARG 71 -23.411 35.479 -3.712 1.00 53.12 ATOM 1162 N GLY 72 -21.742 34.111 -3.077 1.00 60.45 ATOM 1163 HN GLY 72 -21.339 33.221 -3.153 1.00 38.17 ATOM 1164 CA GLY 72 -21.147 35.098 -2.181 1.00 62.25 ATOM 1165 HA1 GLY 72 -20.370 34.616 -1.605 1.00 38.17 ATOM 1166 HA2 GLY 72 -21.908 35.456 -1.501 1.00 74.00 ATOM 1167 C GLY 72 -20.543 36.289 -2.918 1.00 50.34 ATOM 1168 O GLY 72 -20.811 37.445 -2.579 1.00 73.03 ATOM 1169 N LYS 73 -19.728 36.012 -3.936 1.00 50.04 ATOM 1170 HN LYS 73 -19.535 35.074 -4.151 1.00 38.17 ATOM 1171 CA LYS 73 -19.102 37.072 -4.734 1.00 21.13 ATOM 1172 HA LYS 73 -18.750 37.828 -4.042 1.00 44.10 ATOM 1173 CB LYS 73 -17.893 36.519 -5.508 1.00 72.04 ATOM 1174 HB1 LYS 73 -18.238 35.754 -6.191 1.00 38.17 ATOM 1175 HB2 LYS 73 -17.206 36.071 -4.803 1.00 41.11 ATOM 1176 CG LYS 73 -17.139 37.578 -6.314 1.00 40.44 ATOM 1177 HG1 LYS 73 -17.083 38.486 -5.729 1.00 38.17 ATOM 1178 HG2 LYS 73 -17.685 37.776 -7.226 1.00 72.13 ATOM 1179 CD LYS 73 -15.722 37.137 -6.679 1.00 42.45 ATOM 1180 HD1 LYS 73 -15.288 37.873 -7.343 1.00 38.17 ATOM 1181 HD2 LYS 73 -15.768 36.181 -7.181 1.00 2.24 ATOM 1182 CE LYS 73 -14.837 37.003 -5.442 1.00 30.42 ATOM 1183 HE1 LYS 73 -15.213 36.193 -4.831 1.00 38.17 ATOM 1184 HE2 LYS 73 -14.881 37.925 -4.881 1.00 22.22 ATOM 1185 NZ LYS 73 -13.422 36.723 -5.797 1.00 63.41 ATOM 1186 HZ1 LYS 73 -12.851 36.602 -4.935 1.00 11.22 ATOM 1187 HZ2 LYS 73 -13.028 37.512 -6.346 1.00 74.43 ATOM 1188 HZ3 LYS 73 -13.357 35.855 -6.366 1.00 54.34 ATOM 1189 C LYS 73 -20.117 37.733 -5.688 1.00 41.25 ATOM 1190 O LYS 73 -19.916 38.861 -6.138 1.00 23.44 ATOM 1191 N ASN 74 -21.214 37.034 -5.982 1.00 74.11 ATOM 1192 HN ASN 74 -21.286 36.107 -5.672 1.00 38.17 ATOM 1193 CA ASN 74 -22.307 37.613 -6.776 1.00 45.24 ATOM 1194 HA ASN 74 -21.920 37.822 -7.765 1.00 73.22 ATOM 1195 CB ASN 74 -23.469 36.617 -6.896 1.00 51.12 ATOM 1196 HB1 ASN 74 -23.812 36.353 -5.905 1.00 38.17 ATOM 1197 HB2 ASN 74 -23.121 35.725 -7.398 1.00 41.44 ATOM 1198 CG ASN 74 -24.643 37.181 -7.678 1.00 61.34 ATOM 1199 OD1 ASN 74 -25.553 37.781 -7.115 1.00 62.31 ATOM 1200 ND2 ASN 74 -24.637 36.998 -8.985 1.00 72.15 ATOM 1201 HD21 ASN 74 -23.887 36.511 -9.382 1.00 51.40 ATOM 1202 HD22 ASN 74 -25.386 37.361 -9.504 1.00 63.44 ATOM 1203 C ASN 74 -22.802 38.931 -6.151 1.00 3.15 ATOM 1204 O ASN 74 -23.178 39.868 -6.859 1.00 5.14 ATOM 1205 N LYS 75 -22.774 38.996 -4.818 1.00 33.33 ATOM 1206 HN LYS 75 -22.458 38.217 -4.313 1.00 38.17 ATOM 1207 CA LYS 75 -23.210 40.186 -4.082 1.00 52.22 ATOM 1208 HA LYS 75 -24.238 40.383 -4.361 1.00 53.44 ATOM 1209 CB LYS 75 -23.160 39.907 -2.572 1.00 24.50 ATOM 1210 HB1 LYS 75 -22.145 39.646 -2.302 1.00 38.17 ATOM 1211 HB2 LYS 75 -23.804 39.066 -2.354 1.00 43.52 ATOM 1212 CG LYS 75 -23.599 41.083 -1.701 1.00 42.24 ATOM 1213 HG1 LYS 75 -24.513 41.496 -2.103 1.00 38.17 ATOM 1214 HG2 LYS 75 -22.826 41.838 -1.719 1.00 11.00 ATOM 1215 CD LYS 75 -23.841 40.658 -0.253 1.00 11.30 ATOM 1216 HD1 LYS 75 -24.656 39.947 -0.230 1.00 38.17 ATOM 1217 HD2 LYS 75 -24.112 41.530 0.326 1.00 41.22 ATOM 1218 CE LYS 75 -22.607 40.017 0.372 1.00 22.04 ATOM 1219 HE1 LYS 75 -22.292 39.188 -0.246 1.00 38.17 ATOM 1220 HE2 LYS 75 -22.865 39.650 1.354 1.00 50.41 ATOM 1221 NZ LYS 75 -21.481 40.978 0.500 1.00 50.54 ATOM 1222 HZ1 LYS 75 -21.252 41.392 -0.425 1.00 61.22 ATOM 1223 HZ2 LYS 75 -20.638 40.493 0.864 1.00 61.55 ATOM 1224 HZ3 LYS 75 -21.732 41.744 1.157 1.00 3.42 ATOM 1225 C LYS 75 -22.363 41.423 -4.438 1.00 54.51 ATOM 1226 O LYS 75 -22.899 42.514 -4.634 1.00 62.21 ATOM 1227 N VAL 76 -21.041 41.255 -4.534 1.00 23.41 ATOM 1228 HN VAL 76 -20.655 40.372 -4.354 1.00 38.17 ATOM 1229 CA VAL 76 -20.158 42.372 -4.907 1.00 22.44 ATOM 1230 HA VAL 76 -20.525 43.258 -4.406 1.00 22.21 ATOM 1231 CB VAL 76 -18.690 42.137 -4.452 1.00 50.30 ATOM 1232 HB VAL 76 -18.702 41.890 -3.398 1.00 11.24 ATOM 1233 CG1 VAL 76 -18.052 40.968 -5.197 1.00 75.12 ATOM 1234 HG11 VAL 76 -17.041 40.824 -4.845 1.00 51.42 ATOM 1235 HG12 VAL 76 -18.037 41.178 -6.259 1.00 13.21 ATOM 1236 HG13 VAL 76 -18.626 40.071 -5.018 1.00 50.31 ATOM 1237 CG2 VAL 76 -17.858 43.408 -4.624 1.00 64.31 ATOM 1238 HG21 VAL 76 -17.839 43.690 -5.668 1.00 21.15 ATOM 1239 HG22 VAL 76 -16.849 43.231 -4.282 1.00 53.10 ATOM 1240 HG23 VAL 76 -18.298 44.208 -4.046 1.00 73.21 ATOM 1241 C VAL 76 -20.194 42.625 -6.424 1.00 10.35 ATOM 1242 O VAL 76 -20.032 43.756 -6.880 1.00 63.12 ATOM 1243 N ALA 77 -20.433 41.566 -7.196 1.00 54.30 ATOM 1244 HN ALA 77 -20.558 40.689 -6.774 1.00 38.17 ATOM 1245 CA ALA 77 -20.507 41.668 -8.658 1.00 64.12 ATOM 1246 HA ALA 77 -19.645 42.229 -8.991 1.00 51.03 ATOM 1247 CB ALA 77 -20.434 40.278 -9.284 1.00 12.22 ATOM 1248 HB1 ALA 77 -20.441 40.368 -10.361 1.00 14.52 ATOM 1249 HB2 ALA 77 -21.285 39.692 -8.967 1.00 41.32 ATOM 1250 HB3 ALA 77 -19.523 39.787 -8.971 1.00 20.25 ATOM 1251 C ALA 77 -21.780 42.400 -9.123 1.00 4.11 ATOM 1252 O ALA 77 -21.931 42.709 -10.308 1.00 5.32 ATOM 1253 N ALA 78 -22.692 42.668 -8.188 1.00 24.44 ATOM 1254 HN ALA 78 -22.528 42.372 -7.268 1.00 38.17 ATOM 1255 CA ALA 78 -23.942 43.379 -8.489 1.00 14.10 ATOM 1256 HA ALA 78 -24.468 42.816 -9.250 1.00 71.24 ATOM 1257 CB ALA 78 -24.824 43.424 -7.246 1.00 52.12 ATOM 1258 HB1 ALA 78 -25.767 43.891 -7.489 1.00 21.31 ATOM 1259 HB2 ALA 78 -24.329 43.992 -6.472 1.00 50.21 ATOM 1260 HB3 ALA 78 -25.003 42.418 -6.893 1.00 54.13 ATOM 1261 C ALA 78 -23.687 44.803 -9.019 1.00 34.40 ATOM 1262 O ALA 78 -24.487 45.342 -9.785 1.00 43.30 ATOM 1263 N GLN 79 -22.571 45.407 -8.612 1.00 50.42 ATOM 1264 HN GLN 79 -21.980 44.943 -7.980 1.00 38.17 ATOM 1265 CA GLN 79 -22.210 46.753 -9.078 1.00 71.44 ATOM 1266 HA GLN 79 -23.088 47.377 -8.978 1.00 44.55 ATOM 1267 CB GLN 79 -21.089 47.338 -8.202 1.00 21.13 ATOM 1268 HB1 GLN 79 -21.445 47.402 -7.182 1.00 38.17 ATOM 1269 HB2 GLN 79 -20.858 48.335 -8.551 1.00 74.41 ATOM 1270 CG GLN 79 -19.800 46.521 -8.207 1.00 43.40 ATOM 1271 HG1 GLN 79 -19.370 46.560 -9.199 1.00 38.17 ATOM 1272 HG2 GLN 79 -20.037 45.496 -7.963 1.00 40.33 ATOM 1273 CD GLN 79 -18.768 47.033 -7.215 1.00 45.22 ATOM 1274 OE1 GLN 79 -18.704 48.221 -6.920 1.00 63.32 ATOM 1275 NE2 GLN 79 -17.958 46.141 -6.685 1.00 3.54 ATOM 1276 HE21 GLN 79 -18.058 45.202 -6.958 1.00 64.03 ATOM 1277 HE22 GLN 79 -17.291 46.451 -6.039 1.00 72.22 ATOM 1278 C GLN 79 -21.790 46.739 -10.560 1.00 41.31 ATOM 1279 O GLN 79 -22.236 47.570 -11.355 1.00 61.22 ATOM 1280 N ASN 80 -20.947 45.774 -10.932 1.00 73.32 ATOM 1281 HN ASN 80 -20.620 45.144 -10.254 1.00 38.17 ATOM 1282 CA ASN 80 -20.491 45.620 -12.321 1.00 71.31 ATOM 1283 HA ASN 80 -20.451 46.606 -12.763 1.00 3.21 ATOM 1284 CB ASN 80 -19.083 45.015 -12.341 1.00 21.24 ATOM 1285 HB1 ASN 80 -18.379 45.740 -11.957 1.00 38.17 ATOM 1286 HB2 ASN 80 -18.814 44.769 -13.358 1.00 21.21 ATOM 1287 CG ASN 80 -18.985 43.758 -11.499 1.00 55.02 ATOM 1288 OD1 ASN 80 -18.785 43.824 -10.294 1.00 22.32 ATOM 1289 ND2 ASN 80 -19.107 42.605 -12.122 1.00 55.41 ATOM 1290 HD21 ASN 80 -19.254 42.612 -13.087 1.00 74.53 ATOM 1291 HD22 ASN 80 -19.026 41.786 -11.588 1.00 2.21 ATOM 1292 C ASN 80 -21.470 44.762 -13.140 1.00 3.14 ATOM 1293 O ASN 80 -21.177 44.356 -14.264 1.00 72.52 ATOM 1294 N TYR 81 -22.639 44.502 -12.561 1.00 71.31 ATOM 1295 HN TYR 81 -22.783 44.797 -11.638 1.00 38.17 ATOM 1296 CA TYR 81 -23.712 43.773 -13.244 1.00 52.02 ATOM 1297 HA TYR 81 -23.289 42.874 -13.670 1.00 22.40 ATOM 1298 CB TYR 81 -24.785 43.382 -12.219 1.00 32.40 ATOM 1299 HB1 TYR 81 -25.204 44.283 -11.790 1.00 38.17 ATOM 1300 HB2 TYR 81 -24.322 42.806 -11.429 1.00 12.24 ATOM 1301 CG TYR 81 -25.929 42.557 -12.779 1.00 24.30 ATOM 1302 CD1 TYR 81 -25.805 41.180 -12.942 1.00 61.24 ATOM 1303 HD1 TYR 81 -24.874 40.702 -12.674 1.00 4.22 ATOM 1304 CD2 TYR 81 -27.136 43.152 -13.131 1.00 11.22 ATOM 1305 HD2 TYR 81 -27.249 44.220 -13.012 1.00 34.34 ATOM 1306 CE1 TYR 81 -26.849 40.423 -13.435 1.00 5.43 ATOM 1307 HE1 TYR 81 -26.733 39.357 -13.553 1.00 31.41 ATOM 1308 CE2 TYR 81 -28.183 42.401 -13.628 1.00 2.31 ATOM 1309 HE2 TYR 81 -29.111 42.883 -13.897 1.00 50.42 ATOM 1310 CZ TYR 81 -28.034 41.038 -13.778 1.00 34.51 ATOM 1311 OH TYR 81 -29.079 40.283 -14.265 1.00 43.31 ATOM 1312 HH TYR 81 -29.167 39.483 -13.734 1.00 63.32 ATOM 1313 C TYR 81 -24.325 44.622 -14.374 1.00 34.42 ATOM 1314 O TYR 81 -24.870 44.093 -15.345 1.00 51.34 ATOM 1315 N ARG 82 -24.235 45.946 -14.236 1.00 43.43 ATOM 1316 HN ARG 82 -23.799 46.311 -13.438 1.00 38.17 ATOM 1317 CA ARG 82 -24.765 46.868 -15.247 1.00 53.05 ATOM 1318 HA ARG 82 -25.729 46.487 -15.556 1.00 34.42 ATOM 1319 CB ARG 82 -24.964 48.269 -14.647 1.00 3.43 ATOM 1320 HB1 ARG 82 -25.212 48.959 -15.442 1.00 38.17 ATOM 1321 HB2 ARG 82 -24.037 48.586 -14.188 1.00 5.04 ATOM 1322 CG ARG 82 -26.069 48.337 -13.595 1.00 72.02 ATOM 1323 HG1 ARG 82 -26.182 49.362 -13.272 1.00 38.17 ATOM 1324 HG2 ARG 82 -25.788 47.724 -12.750 1.00 60.11 ATOM 1325 CD ARG 82 -27.407 47.841 -14.146 1.00 40.35 ATOM 1326 HD1 ARG 82 -27.318 46.788 -14.376 1.00 38.17 ATOM 1327 HD2 ARG 82 -27.632 48.384 -15.054 1.00 31.43 ATOM 1328 NE ARG 82 -28.506 48.034 -13.201 1.00 44.32 ATOM 1329 HE ARG 82 -28.593 48.918 -12.787 1.00 62.23 ATOM 1330 CZ ARG 82 -29.392 47.120 -12.898 1.00 75.15 ATOM 1331 NH1 ARG 82 -29.313 45.931 -13.405 1.00 3.42 ATOM 1332 HH11 ARG 82 -28.576 45.707 -14.029 1.00 60.24 ATOM 1333 HH12 ARG 82 -29.995 45.242 -13.166 1.00 0.34 ATOM 1334 NH2 ARG 82 -30.356 47.399 -12.084 1.00 33.44 ATOM 1335 HH21 ARG 82 -30.427 48.310 -11.684 1.00 2.43 ATOM 1336 HH22 ARG 82 -31.037 46.704 -11.864 1.00 32.53 ATOM 1337 C ARG 82 -23.854 46.941 -16.485 1.00 44.53 ATOM 1338 O ARG 82 -22.777 47.546 -16.453 1.00 60.42 ATOM 1339 N LYS 83 -24.303 46.310 -17.568 1.00 25.12 ATOM 1340 HN LYS 83 -25.157 45.834 -17.512 1.00 38.17 ATOM 1341 CA LYS 83 -23.575 46.294 -18.842 1.00 54.43 ATOM 1342 HA LYS 83 -23.022 47.220 -18.928 1.00 24.24 ATOM 1343 CB LYS 83 -22.592 45.110 -18.869 1.00 22.32 ATOM 1344 HB1 LYS 83 -21.895 45.218 -18.050 1.00 38.17 ATOM 1345 HB2 LYS 83 -22.042 45.134 -19.800 1.00 22.21 ATOM 1346 CG LYS 83 -23.267 43.743 -18.746 1.00 41.21 ATOM 1347 HG1 LYS 83 -23.938 43.609 -19.584 1.00 38.17 ATOM 1348 HG2 LYS 83 -23.834 43.716 -17.827 1.00 63.51 ATOM 1349 CD LYS 83 -22.256 42.596 -18.734 1.00 23.31 ATOM 1350 HD1 LYS 83 -21.647 42.656 -19.626 1.00 38.17 ATOM 1351 HD2 LYS 83 -22.794 41.658 -18.731 1.00 64.20 ATOM 1352 CE LYS 83 -21.348 42.645 -17.510 1.00 73.25 ATOM 1353 HE1 LYS 83 -21.961 42.610 -16.620 1.00 38.17 ATOM 1354 HE2 LYS 83 -20.790 43.569 -17.524 1.00 23.10 ATOM 1355 NZ LYS 83 -20.395 41.506 -17.485 1.00 70.45 ATOM 1356 HZ1 LYS 83 -20.913 40.604 -17.489 1.00 35.30 ATOM 1357 HZ2 LYS 83 -19.808 41.548 -16.629 1.00 61.01 ATOM 1358 HZ3 LYS 83 -19.773 41.538 -18.319 1.00 54.41 ATOM 1359 C LYS 83 -24.563 46.189 -20.018 1.00 14.43 ATOM 1360 O LYS 83 -25.780 46.270 -19.821 1.00 65.51 ATOM 1361 N ARG 84 -24.049 46.018 -21.236 1.00 63.55 ATOM 1362 HN ARG 84 -23.074 46.035 -21.352 1.00 38.17 ATOM 1363 CA ARG 84 -24.913 45.818 -22.406 1.00 61.15 ATOM 1364 HA ARG 84 -25.633 46.626 -22.423 1.00 62.01 ATOM 1365 CB ARG 84 -24.107 45.848 -23.710 1.00 71.55 ATOM 1366 HB1 ARG 84 -24.771 45.614 -24.532 1.00 38.17 ATOM 1367 HB2 ARG 84 -23.340 45.088 -23.659 1.00 32.43 ATOM 1368 CG ARG 84 -23.430 47.184 -24.010 1.00 71.33 ATOM 1369 HG1 ARG 84 -22.543 47.278 -23.400 1.00 38.17 ATOM 1370 HG2 ARG 84 -24.116 47.987 -23.777 1.00 33.33 ATOM 1371 CD ARG 84 -23.038 47.281 -25.483 1.00 40.22 ATOM 1372 HD1 ARG 84 -22.366 46.469 -25.724 1.00 38.17 ATOM 1373 HD2 ARG 84 -22.538 48.226 -25.650 1.00 0.14 ATOM 1374 NE ARG 84 -24.220 47.206 -26.346 1.00 74.45 ATOM 1375 HE ARG 84 -24.936 47.851 -26.180 1.00 61.05 ATOM 1376 CZ ARG 84 -24.400 46.322 -27.294 1.00 3.41 ATOM 1377 NH1 ARG 84 -23.478 45.461 -27.590 1.00 25.22 ATOM 1378 HH11 ARG 84 -22.612 45.462 -27.094 1.00 65.34 ATOM 1379 HH12 ARG 84 -23.633 44.795 -28.317 1.00 23.41 ATOM 1380 NH2 ARG 84 -25.517 46.303 -27.942 1.00 40.12 ATOM 1381 HH21 ARG 84 -26.236 46.960 -27.715 1.00 21.34 ATOM 1382 HH22 ARG 84 -25.665 45.627 -28.659 1.00 23.45 ATOM 1383 C ARG 84 -25.674 44.484 -22.320 1.00 63.41 ATOM 1384 O ARG 84 -25.071 43.420 -22.152 1.00 53.11 ATOM 1385 N LYS 85 -26.999 44.541 -22.438 1.00 22.15 ATOM 1386 HN LYS 85 -27.436 45.415 -22.502 1.00 38.17 ATOM 1387 CA LYS 85 -27.814 43.327 -22.472 1.00 12.23 ATOM 1388 HA LYS 85 -27.435 42.657 -21.710 1.00 4.22 ATOM 1389 CB LYS 85 -29.293 43.632 -22.171 1.00 62.51 ATOM 1390 HB1 LYS 85 -29.664 44.326 -22.912 1.00 38.17 ATOM 1391 HB2 LYS 85 -29.365 44.092 -21.194 1.00 71.54 ATOM 1392 CG LYS 85 -30.182 42.387 -22.186 1.00 41.25 ATOM 1393 HG1 LYS 85 -29.880 41.736 -21.378 1.00 38.17 ATOM 1394 HG2 LYS 85 -30.045 41.874 -23.128 1.00 51.14 ATOM 1395 CD LYS 85 -31.663 42.724 -22.024 1.00 30.44 ATOM 1396 HD1 LYS 85 -31.958 43.407 -22.809 1.00 38.17 ATOM 1397 HD2 LYS 85 -31.811 43.194 -21.063 1.00 43.53 ATOM 1398 CE LYS 85 -32.536 41.473 -22.099 1.00 22.52 ATOM 1399 HE1 LYS 85 -32.285 40.823 -21.272 1.00 38.17 ATOM 1400 HE2 LYS 85 -32.335 40.963 -23.029 1.00 63.34 ATOM 1401 NZ LYS 85 -33.985 41.796 -22.033 1.00 12.32 ATOM 1402 HZ1 LYS 85 -34.252 42.410 -22.829 1.00 1.35 ATOM 1403 HZ2 LYS 85 -34.204 42.289 -21.144 1.00 2.31 ATOM 1404 HZ3 LYS 85 -34.550 40.923 -22.078 1.00 44.43 ATOM 1405 C LYS 85 -27.692 42.636 -23.837 1.00 35.02 ATOM 1406 O LYS 85 -28.490 42.876 -24.745 1.00 33.13 ATOM 1407 N LEU 86 -26.663 41.811 -23.992 1.00 62.33 ATOM 1408 HN LEU 86 -26.012 41.720 -23.265 1.00 38.17 ATOM 1409 CA LEU 86 -26.470 41.049 -25.228 1.00 45.02 ATOM 1410 HA LEU 86 -26.541 41.739 -26.057 1.00 22.25 ATOM 1411 CB LEU 86 -25.082 40.396 -25.242 1.00 3.34 ATOM 1412 HB1 LEU 86 -24.968 39.859 -26.174 1.00 38.17 ATOM 1413 HB2 LEU 86 -25.035 39.683 -24.429 1.00 74.14 ATOM 1414 CG LEU 86 -23.901 41.372 -25.100 1.00 10.11 ATOM 1415 HG LEU 86 -23.952 41.845 -24.128 1.00 22.22 ATOM 1416 CD1 LEU 86 -22.572 40.628 -25.182 1.00 51.34 ATOM 1417 HD11 LEU 86 -21.757 41.332 -25.086 1.00 44.05 ATOM 1418 HD12 LEU 86 -22.497 40.119 -26.132 1.00 34.13 ATOM 1419 HD13 LEU 86 -22.514 39.904 -24.381 1.00 75.24 ATOM 1420 CD2 LEU 86 -23.975 42.470 -26.160 1.00 24.21 ATOM 1421 HD21 LEU 86 -24.894 43.026 -26.042 1.00 45.22 ATOM 1422 HD22 LEU 86 -23.948 42.025 -27.145 1.00 42.34 ATOM 1423 HD23 LEU 86 -23.135 43.139 -26.046 1.00 1.33 ATOM 1424 C LEU 86 -27.558 39.980 -25.383 1.00 42.34 ATOM 1425 O LEU 86 -28.196 39.582 -24.403 1.00 51.52 ATOM 1426 N GLU 87 -27.768 39.517 -26.611 1.00 34.41 ATOM 1427 HN GLU 87 -27.222 39.864 -27.350 1.00 38.17 ATOM 1428 CA GLU 87 -28.792 38.505 -26.886 1.00 74.33 ATOM 1429 HA GLU 87 -29.720 38.858 -26.458 1.00 71.03 ATOM 1430 CB GLU 87 -28.985 38.328 -28.398 1.00 34.20 ATOM 1431 HB1 GLU 87 -29.746 37.578 -28.565 1.00 38.17 ATOM 1432 HB2 GLU 87 -28.055 37.985 -28.829 1.00 70.24 ATOM 1433 CG GLU 87 -29.406 39.603 -29.123 1.00 65.52 ATOM 1434 HG1 GLU 87 -28.663 40.366 -28.939 1.00 38.17 ATOM 1435 HG2 GLU 87 -30.359 39.930 -28.727 1.00 53.43 ATOM 1436 CD GLU 87 -29.542 39.406 -30.625 1.00 70.33 ATOM 1437 OE1 GLU 87 -28.510 39.442 -31.328 1.00 43.12 ATOM 1438 OE2 GLU 87 -30.677 39.209 -31.107 1.00 4.24 ATOM 1439 C GLU 87 -28.440 37.157 -26.236 1.00 33.13 ATOM 1440 O GLU 87 -27.834 36.289 -26.862 1.00 14.45 ATOM 1441 N THR 88 -28.794 37.005 -24.963 1.00 53.42 ATOM 1442 HN THR 88 -29.171 37.775 -24.486 1.00 38.17 ATOM 1443 CA THR 88 -28.602 35.737 -24.238 1.00 24.41 ATOM 1444 HA THR 88 -27.759 35.222 -24.680 1.00 41.35 ATOM 1445 CB THR 88 -28.287 35.998 -22.732 1.00 62.21 ATOM 1446 HB THR 88 -29.175 36.397 -22.259 1.00 43.54 ATOM 1447 OG1 THR 88 -27.226 36.960 -22.606 1.00 24.34 ATOM 1448 HG1 THR 88 -26.394 36.498 -22.425 1.00 60.25 ATOM 1449 CG2 THR 88 -27.876 34.717 -22.001 1.00 30.03 ATOM 1450 HG21 THR 88 -27.641 34.948 -20.971 1.00 72.10 ATOM 1451 HG22 THR 88 -27.007 34.292 -22.480 1.00 74.03 ATOM 1452 HG23 THR 88 -28.690 34.006 -22.033 1.00 61.31 ATOM 1453 C THR 88 -29.855 34.846 -24.370 1.00 52.23 ATOM 1454 O THR 88 -30.089 33.944 -23.565 1.00 41.41 ATOM 1455 N ILE 89 -30.671 35.123 -25.398 1.00 23.32 ATOM 1456 HN ILE 89 -30.431 35.858 -25.995 1.00 38.17 ATOM 1457 CA ILE 89 -31.909 34.363 -25.680 1.00 61.23 ATOM 1458 HA ILE 89 -32.256 34.682 -26.656 1.00 64.11 ATOM 1459 CB ILE 89 -31.642 32.832 -25.754 1.00 13.25 ATOM 1460 HB ILE 89 -31.267 32.511 -24.792 1.00 24.34 ATOM 1461 CG1 ILE 89 -30.582 32.530 -26.831 1.00 24.25 ATOM 1462 HG11 ILE 89 -29.692 33.109 -26.624 1.00 38.17 ATOM 1463 HG12 ILE 89 -30.968 32.812 -27.799 1.00 72.11 ATOM 1464 CG2 ILE 89 -32.935 32.061 -26.038 1.00 73.05 ATOM 1465 HG21 ILE 89 -33.358 32.396 -26.974 1.00 71.14 ATOM 1466 HG22 ILE 89 -33.642 32.239 -25.241 1.00 55.33 ATOM 1467 HG23 ILE 89 -32.722 31.003 -26.097 1.00 53.33 ATOM 1468 CD1 ILE 89 -30.176 31.075 -26.909 1.00 42.22 ATOM 1469 HD11 ILE 89 -29.421 30.952 -27.671 1.00 32.10 ATOM 1470 HD12 ILE 89 -31.038 30.472 -27.156 1.00 22.21 ATOM 1471 HD13 ILE 89 -29.779 30.760 -25.955 1.00 34.10 ATOM 1472 C ILE 89 -33.032 34.655 -24.657 1.00 70.30 ATOM 1473 O ILE 89 -34.217 34.648 -25.003 1.00 24.24 ATOM 1474 N VAL 90 -32.657 34.915 -23.406 1.00 53.23 ATOM 1475 HN VAL 90 -31.708 34.889 -23.185 1.00 38.17 ATOM 1476 CA VAL 90 -33.619 35.221 -22.342 1.00 4.04 ATOM 1477 HA VAL 90 -34.302 34.384 -22.268 1.00 2.52 ATOM 1478 CB VAL 90 -32.900 35.371 -20.978 1.00 33.34 ATOM 1479 HB VAL 90 -33.649 35.563 -20.221 1.00 32.11 ATOM 1480 CG1 VAL 90 -32.179 34.075 -20.607 1.00 64.21 ATOM 1481 HG11 VAL 90 -32.896 33.269 -20.537 1.00 75.40 ATOM 1482 HG12 VAL 90 -31.683 34.195 -19.655 1.00 42.21 ATOM 1483 HG13 VAL 90 -31.446 33.838 -21.366 1.00 11.40 ATOM 1484 CG2 VAL 90 -31.925 36.553 -20.995 1.00 73.52 ATOM 1485 HG21 VAL 90 -31.179 36.396 -21.762 1.00 3.34 ATOM 1486 HG22 VAL 90 -31.440 36.638 -20.033 1.00 21.24 ATOM 1487 HG23 VAL 90 -32.467 37.465 -21.204 1.00 24.22 ATOM 1488 C VAL 90 -34.436 36.497 -22.637 1.00 21.13 ATOM 1489 O VAL 90 -33.927 37.465 -23.206 1.00 32.22 ATOM 1490 N GLN 91 -35.706 36.476 -22.247 1.00 50.53 ATOM 1491 HN GLN 91 -36.050 35.669 -21.811 1.00 38.17 ATOM 1492 HA GLN 91 -36.429 37.998 -23.446 1.00 24.31 ATOM 1493 CB GLN 91 -38.077 37.130 -22.385 1.00 23.22 ATOM 1494 HB1 GLN 91 -38.293 36.557 -23.276 1.00 38.17 ATOM 1495 HB2 GLN 91 -38.729 37.992 -22.358 1.00 30.30 ATOM 1496 CG GLN 91 -38.390 36.256 -21.172 1.00 42.30 ATOM 1497 HG1 GLN 91 -38.176 36.821 -20.275 1.00 38.17 ATOM 1498 HG2 GLN 91 -37.755 35.382 -21.202 1.00 43.23 ATOM 1499 CD GLN 91 -39.837 35.792 -21.126 1.00 24.11 ATOM 1500 OE1 GLN 91 -40.488 35.621 -22.153 1.00 22.21 ATOM 1501 NE2 GLN 91 -40.355 35.587 -19.935 1.00 24.33 ATOM 1502 HE21 GLN 91 -39.790 35.741 -19.150 1.00 12.34 ATOM 1503 HE22 GLN 91 -41.286 35.291 -19.884 1.00 43.23 ATOM 1504 CA GLN 91 -36.617 37.614 -22.451 1.00 12.43 ATOM 1505 C GLN 91 -36.366 38.754 -21.433 1.00 33.25 ATOM 1506 OT1 GLN 91 -36.531 38.532 -20.211 1.00 38.17 ATOM 1507 OT2 GLN 91 -36.011 39.878 -21.861 1.00 38.17 ATOM 1508 OH2 TIP3 1 -32.545 29.016 -31.751 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -31.928 28.637 -32.423 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -32.429 29.985 -31.849 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -37.050 34.906 -27.665 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -37.330 34.256 -28.341 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -37.118 34.411 -26.825 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -32.406 25.147 -28.539 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -33.243 25.625 -28.400 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -32.050 25.017 -27.637 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.254 31.397 -32.235 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -30.680 31.899 -31.627 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -30.662 31.147 -32.971 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -37.564 29.967 -29.665 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -37.529 28.992 -29.583 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -37.065 30.154 -30.465 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -34.723 36.216 -27.087 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -35.582 35.896 -27.438 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -34.595 35.698 -26.267 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -44.415 31.649 -26.075 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -44.603 31.638 -25.109 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -44.715 30.789 -26.382 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -42.490 33.352 -26.912 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -42.774 34.243 -26.597 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -43.267 32.774 -26.729 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -40.149 34.072 -25.692 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -40.363 33.789 -24.775 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -40.918 33.766 -26.221 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -31.461 28.621 -24.995 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -31.740 27.867 -24.435 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -32.168 28.686 -25.678 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -40.769 32.842 -29.016 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -41.366 33.030 -28.262 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -41.339 32.898 -29.786 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -34.664 26.925 -28.863 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -34.341 26.793 -29.780 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -35.624 27.080 -28.970 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -37.186 38.979 -27.961 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -37.444 38.107 -27.636 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -38.039 39.452 -28.070 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -38.134 32.389 -28.482 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -39.082 32.543 -28.708 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -37.935 31.509 -28.876 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -31.186 25.361 -26.061 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -30.754 26.166 -26.411 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.585 25.651 -25.213 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -37.346 27.183 -29.734 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -38.115 26.644 -29.518 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -37.056 26.847 -30.618 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -33.399 36.632 -29.674 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -33.728 36.123 -28.915 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -33.771 37.526 -29.538 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -45.368 34.335 -23.020 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -44.588 34.930 -22.966 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -45.948 34.759 -23.693 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -42.767 30.880 -21.628 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -43.266 31.154 -22.422 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -43.458 30.700 -20.961 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -37.722 32.913 -25.836 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -37.746 32.480 -26.718 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -38.629 33.272 -25.726 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -40.667 33.242 -23.165 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -40.148 32.649 -22.575 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -40.571 34.128 -22.758 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -36.281 33.634 -23.681 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -36.846 33.271 -24.402 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -35.534 34.050 -24.154 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -34.270 31.110 -21.406 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -34.597 30.199 -21.564 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -35.087 31.643 -21.325 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -36.325 26.183 -32.025 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -35.360 26.288 -31.857 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -36.370 25.795 -32.902 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -32.908 28.343 -27.307 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -32.345 28.537 -28.080 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -33.677 27.867 -27.688 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -34.661 38.735 -34.728 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -33.856 38.184 -34.580 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -34.709 38.830 -35.683 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -39.149 36.391 -26.677 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -39.565 35.587 -26.294 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -38.375 36.045 -27.160 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -32.405 37.377 -34.052 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -31.561 37.514 -34.528 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -32.136 36.989 -33.199 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -36.661 32.488 -21.286 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -37.560 32.084 -21.328 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -36.533 32.878 -22.185 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -41.210 33.939 -17.696 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -41.603 34.833 -17.794 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -41.774 33.503 -17.046 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -36.963 37.376 -12.911 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -37.106 36.905 -13.759 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -37.459 36.861 -12.269 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -41.027 31.771 -19.578 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -41.804 31.717 -20.161 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -41.198 32.545 -19.014 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -37.349 36.281 -15.450 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -37.776 35.769 -16.174 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -36.400 36.311 -15.704 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -38.477 34.942 -17.644 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -37.804 34.510 -18.211 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -39.232 34.324 -17.650 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -40.901 28.824 -21.378 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -40.472 28.872 -22.256 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -41.577 29.530 -21.406 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -39.200 31.547 -21.581 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -39.799 31.451 -20.803 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.335 30.723 -22.092 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -39.200 27.519 -19.698 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -39.576 27.755 -18.848 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -39.810 27.934 -20.353 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -39.593 29.636 -23.636 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -40.302 30.111 -24.134 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -38.890 29.523 -24.282 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -41.853 38.385 -20.104 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -41.913 38.341 -21.080 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -40.916 38.637 -19.932 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -31.294 33.590 -6.888 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -31.424 33.107 -7.730 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -32.201 33.746 -6.561 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -41.422 31.218 -24.847 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -41.331 31.941 -24.193 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -42.007 31.582 -25.524 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -44.138 33.330 -18.684 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -43.889 34.240 -18.481 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -44.908 33.422 -19.297 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -31.968 32.243 -9.295 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -32.036 32.616 -10.183 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -31.495 31.388 -9.430 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -42.850 38.511 -16.474 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -43.226 39.059 -17.207 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -43.467 38.639 -15.745 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -42.473 36.351 -18.215 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -42.317 36.980 -18.952 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -42.611 36.930 -17.437 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -43.514 40.014 -18.606 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -43.387 40.938 -18.891 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -43.013 39.487 -19.263 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -36.289 34.030 -19.127 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -35.606 33.552 -18.638 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -36.461 33.461 -19.917 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -44.864 31.657 -23.379 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -45.031 32.620 -23.260 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -45.475 31.228 -22.742 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -43.100 35.930 -22.988 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -42.272 35.499 -22.707 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -42.946 36.878 -22.802 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -46.043 33.316 -20.590 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -45.878 33.787 -21.435 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -46.442 32.472 -20.863 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -46.353 30.604 -21.303 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -45.689 30.537 -20.578 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -46.934 29.848 -21.163 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -44.373 30.673 -19.413 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -44.307 31.600 -19.085 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -43.943 30.149 -18.726 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -33.953 33.747 -6.027 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -34.576 34.424 -6.321 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -34.180 33.600 -5.098 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -31.099 32.379 -1.695 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -30.778 32.518 -2.609 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -31.859 31.761 -1.801 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -30.420 30.153 -16.493 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -30.330 30.263 -17.465 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -29.589 29.719 -16.222 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -36.786 26.798 -20.683 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -36.848 25.854 -20.520 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -37.638 27.156 -20.337 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -35.146 28.561 -21.959 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -35.683 27.960 -21.382 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -35.587 28.517 -22.815 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -29.781 27.379 -20.878 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -30.740 27.532 -20.836 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -29.508 27.806 -21.717 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -30.162 25.656 -7.505 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -29.628 24.951 -7.126 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -30.990 25.639 -6.976 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -35.220 39.492 -12.918 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -35.718 38.653 -12.804 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -35.633 39.906 -13.685 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.224 36.548 -18.783 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.722 35.736 -19.003 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -35.674 37.255 -19.298 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -46.869 35.321 -25.073 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -47.809 35.379 -25.275 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -46.457 35.095 -25.915 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -31.991 39.939 -2.149 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -31.735 40.137 -3.065 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -32.273 39.000 -2.174 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -33.672 27.120 8.079 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -34.533 27.178 8.510 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -33.358 26.210 8.291 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -32.787 32.449 0.950 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -33.087 33.269 1.398 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -33.576 31.860 0.975 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -36.745 35.863 3.169 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -36.576 36.210 4.076 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -36.837 36.653 2.629 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -30.149 26.034 6.411 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -29.793 25.897 7.310 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -29.473 25.643 5.825 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -31.086 23.023 12.785 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -31.955 22.792 13.171 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -30.688 23.633 13.449 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -36.431 32.590 1.179 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -36.677 33.444 0.780 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -36.240 32.810 2.116 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -35.009 33.618 10.686 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -35.422 33.887 11.540 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -35.646 33.918 10.006 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -35.566 33.489 3.630 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -36.098 34.307 3.478 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -35.351 33.521 4.586 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -29.570 31.757 0.739 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -30.233 31.608 0.032 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -29.684 32.704 0.974 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -32.717 32.955 9.394 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -32.518 32.075 9.771 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -33.484 33.275 9.922 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -35.122 27.712 0.542 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -36.048 27.462 0.493 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -34.640 26.903 0.261 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -34.316 29.490 12.351 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -34.998 28.929 12.793 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -34.834 30.022 11.702 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -35.575 31.063 7.643 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -35.817 30.896 6.725 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -34.643 30.739 7.707 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -36.427 35.043 -0.362 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -35.770 35.688 -0.016 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -37.226 35.566 -0.490 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -30.696 37.113 0.227 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -30.258 37.993 0.210 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -31.336 37.153 -0.516 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -31.020 31.442 12.811 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -31.649 31.032 13.447 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -30.155 31.418 13.288 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -34.481 36.714 0.676 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -34.055 37.432 1.185 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -34.163 35.895 1.116 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -34.991 32.867 -1.221 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -35.543 33.675 -1.159 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -35.317 32.307 -0.491 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -36.375 28.333 13.689 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -36.282 28.963 14.430 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -36.813 27.559 14.088 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -33.341 28.771 -6.332 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -33.193 28.175 -7.077 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -33.401 29.667 -6.749 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -35.153 34.214 6.283 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -35.644 34.065 7.118 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -35.350 35.148 6.055 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -34.660 30.463 0.905 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -34.854 29.502 0.832 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -35.523 30.869 1.116 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -30.541 27.648 -1.971 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -31.057 28.021 -2.715 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -29.644 27.561 -2.326 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -36.661 33.467 8.456 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -37.622 33.396 8.463 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -36.352 32.563 8.219 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -33.303 30.866 -2.185 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -33.870 30.457 -2.876 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -33.894 31.517 -1.750 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -30.357 39.841 0.113 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -30.844 40.022 -0.721 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -30.896 40.278 0.803 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -34.773 29.910 -4.266 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -34.303 29.433 -4.984 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.704 29.816 -4.492 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -37.312 26.105 15.066 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -36.451 25.644 15.171 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -37.893 25.435 14.691 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -33.154 29.816 8.038 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -33.232 28.842 8.092 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -32.704 30.065 8.871 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -35.849 36.762 5.562 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -34.969 36.933 5.156 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -35.808 37.227 6.432 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -32.846 34.538 -1.787 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -33.625 33.986 -1.575 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -32.093 33.922 -1.708 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -35.464 30.934 10.411 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -35.280 31.886 10.553 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -35.609 30.860 9.450 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -33.568 31.280 -7.275 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -33.766 32.111 -6.804 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -33.073 31.569 -8.070 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -38.567 32.072 14.888 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -39.122 32.337 14.147 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -37.664 32.221 14.574 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -35.358 37.822 8.002 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.622 38.265 8.811 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.375 37.887 8.000 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -32.648 37.833 7.864 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -32.162 37.888 7.034 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -32.366 36.977 8.249 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -36.042 29.933 15.904 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -36.911 30.022 16.350 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -35.562 29.272 16.448 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -36.133 34.104 13.131 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -35.706 33.389 13.660 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -36.265 34.817 13.760 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -31.700 28.901 -4.121 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -32.209 28.711 -4.941 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -32.208 29.602 -3.685 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -32.292 25.264 -5.812 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -32.017 24.677 -5.070 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -33.249 25.295 -5.743 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -32.328 27.713 5.732 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -31.546 27.131 5.852 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -32.909 27.488 6.489 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -32.488 29.679 14.349 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -33.163 29.688 13.631 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -32.654 28.826 14.813 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -31.798 29.912 0.410 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -32.250 30.783 0.439 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -32.241 29.444 -0.320 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -28.948 32.021 9.327 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -29.489 32.639 9.854 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -28.071 32.440 9.300 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -32.268 30.489 10.610 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -32.989 29.996 11.054 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -31.810 30.949 11.344 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -30.873 21.576 15.939 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -30.415 20.860 15.439 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -31.530 21.925 15.308 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -33.271 22.492 14.406 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -33.801 23.280 14.640 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.904 21.764 14.440 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -30.774 23.588 -1.210 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -30.196 22.805 -1.028 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -31.185 23.776 -0.361 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -33.538 34.723 2.304 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -33.323 35.394 2.984 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -34.246 34.185 2.722 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -30.263 34.461 0.932 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -30.341 35.430 0.765 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -31.160 34.124 0.778 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -35.069 32.197 14.733 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -34.134 32.119 14.947 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -35.469 31.382 15.113 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -38.599 30.237 16.940 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -38.688 30.887 16.204 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -39.056 30.654 17.679 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -33.186 27.303 15.566 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -33.821 27.575 16.267 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -32.596 26.660 16.013 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -37.725 27.561 17.406 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -38.232 28.377 17.237 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -37.733 27.090 16.548 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -31.597 26.950 18.949 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -32.422 27.392 19.232 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -31.886 26.308 18.274 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -34.474 29.083 22.360 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -34.609 28.443 23.065 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -34.814 29.908 22.719 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -35.026 27.873 17.485 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -34.663 28.062 18.383 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -35.965 27.625 17.652 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -34.845 24.807 15.340 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -34.320 25.629 15.296 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -34.607 24.415 16.210 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -34.017 23.439 17.581 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -33.625 22.541 17.711 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -34.473 23.620 18.412 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -32.704 21.098 17.912 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.951 21.233 17.296 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -32.525 20.246 18.322 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -32.569 44.278 -28.533 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -32.910 44.948 -29.160 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -32.034 43.679 -29.096 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -31.283 44.029 -26.163 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -31.738 44.224 -27.013 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -31.742 43.251 -25.823 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -36.396 42.295 -31.660 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -36.945 42.650 -30.943 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -36.879 41.498 -31.954 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -33.347 38.581 -26.979 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -33.801 37.714 -26.925 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -33.636 38.944 -27.840 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -40.489 39.245 -32.942 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -40.887 38.810 -33.703 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -41.238 39.608 -32.457 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -34.737 44.321 -26.788 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -35.336 43.799 -27.371 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -33.931 44.440 -27.328 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -40.086 40.235 -25.004 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -39.282 40.450 -24.485 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -40.803 40.737 -24.553 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -38.270 41.626 -29.542 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -38.879 41.212 -28.893 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -38.338 41.051 -30.332 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -39.688 40.120 -27.752 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -39.717 40.265 -26.782 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -40.605 39.847 -27.978 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -39.663 46.519 -23.468 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -40.081 46.286 -22.614 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -40.148 46.004 -24.116 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -36.395 40.629 -25.739 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -36.588 40.186 -26.586 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -35.613 40.151 -25.391 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -44.639 40.350 -23.427 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -45.508 40.627 -23.117 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -44.678 39.386 -23.417 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -37.421 50.076 -21.972 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -37.952 50.773 -22.360 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -37.428 49.363 -22.646 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -42.266 39.195 -27.813 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -42.057 38.558 -27.107 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -43.211 39.347 -27.723 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -41.131 45.875 -21.230 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -40.694 45.602 -20.385 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -41.607 46.680 -20.999 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -37.894 40.980 -23.512 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -37.208 40.578 -22.930 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -37.438 41.074 -24.382 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -41.168 37.840 -25.585 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -40.435 37.317 -25.993 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -40.761 38.721 -25.413 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -42.075 41.253 -23.451 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -43.040 41.071 -23.536 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -42.032 42.039 -22.861 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -37.347 47.908 -23.677 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -36.767 47.334 -24.227 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -38.201 47.417 -23.636 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -35.461 46.183 -24.719 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -35.292 45.571 -25.462 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -34.724 46.031 -24.113 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -33.648 45.705 -30.642 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -33.735 44.903 -31.207 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -34.543 46.063 -30.599 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -35.911 42.761 -28.714 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -35.409 42.243 -29.353 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -36.829 42.423 -28.802 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -30.846 41.888 -33.666 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -30.693 41.301 -34.437 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -31.501 41.405 -33.124 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.082 39.682 -24.617 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -34.069 38.880 -24.050 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -33.664 39.385 -25.458 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -38.113 40.081 -31.832 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -38.948 39.824 -32.287 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -37.507 39.355 -32.022 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -34.744 39.053 -29.309 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -34.926 39.296 -30.239 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -35.629 39.074 -28.877 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -32.668 40.852 -31.803 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -31.957 40.197 -31.556 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -33.482 40.309 -31.855 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.838 39.037 -32.052 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.627 38.103 -31.913 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.873 39.129 -33.034 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -42.972 35.754 -25.744 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -43.201 35.718 -24.796 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -42.324 36.483 -25.803 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -35.685 43.473 -12.484 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -35.848 43.077 -13.355 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -35.068 42.859 -12.054 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -31.965 41.301 -9.532 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -32.562 41.202 -10.303 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -32.044 42.230 -9.291 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -37.825 40.487 -13.872 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -38.735 40.875 -13.857 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -37.672 40.211 -12.957 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -30.468 47.732 -8.081 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -30.121 47.557 -7.184 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -30.891 46.880 -8.345 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -36.984 41.879 -20.257 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -36.577 41.128 -20.742 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -37.861 41.977 -20.666 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -39.524 41.609 -21.414 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -40.312 42.164 -21.609 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -39.077 41.513 -22.288 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -42.069 38.498 -22.933 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -41.735 38.148 -23.783 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -42.017 39.471 -23.038 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -30.854 43.803 -12.349 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -30.291 43.852 -11.544 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -31.652 44.328 -12.117 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -39.268 39.314 -19.905 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -39.263 40.038 -20.560 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -38.342 38.993 -19.895 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -39.248 44.764 -16.268 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -38.887 45.394 -15.624 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -38.472 44.249 -16.561 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -34.719 44.020 -20.698 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -35.559 44.332 -20.341 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -34.348 44.802 -21.161 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -38.367 38.768 -15.954 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -38.101 37.845 -15.747 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -38.117 39.276 -15.152 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -40.178 44.896 -18.899 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -39.909 45.128 -17.988 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -40.104 43.927 -18.926 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -40.068 42.010 -18.720 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -40.156 41.171 -18.211 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -39.893 41.716 -19.639 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -41.787 43.208 -21.597 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -41.628 44.178 -21.596 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -42.312 43.051 -20.780 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -36.675 42.696 -15.186 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -37.083 41.889 -14.817 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -36.879 42.651 -16.145 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -35.512 47.891 -21.657 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.141 47.763 -22.397 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -35.801 48.722 -21.250 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -31.672 47.103 -20.447 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -30.911 47.692 -20.634 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -31.998 47.403 -19.595 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -34.314 46.806 -13.770 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -34.569 47.712 -13.968 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -35.051 46.266 -14.127 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -31.173 45.154 -8.610 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -31.172 44.448 -7.928 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -30.464 44.892 -9.225 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -33.563 46.074 -22.145 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -34.260 46.759 -22.005 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -32.806 46.392 -21.600 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -34.387 42.681 -24.631 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -34.526 43.344 -25.339 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -34.741 41.858 -25.006 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -36.565 45.325 -14.403 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -36.471 45.054 -13.470 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -36.577 44.478 -14.892 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -37.646 42.890 -17.749 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -38.553 42.604 -17.968 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -37.115 42.600 -18.522 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -33.566 41.379 -11.846 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -32.830 41.323 -12.489 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -34.169 40.649 -12.110 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -36.019 42.247 -1.450 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -36.884 41.906 -1.696 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -36.089 43.198 -1.586 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -34.290 40.359 -19.520 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -34.856 39.705 -19.975 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -34.876 40.750 -18.851 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -40.367 41.406 -14.129 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -40.923 42.198 -14.170 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -40.579 40.925 -14.950 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.720 36.749 -16.174 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -34.943 36.687 -17.132 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -34.306 37.625 -16.087 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -41.475 43.042 -16.318 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -41.026 42.239 -16.624 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -40.762 43.707 -16.251 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -40.584 40.201 -16.648 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -41.327 39.562 -16.640 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -39.784 39.640 -16.507 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -36.368 39.632 -17.674 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -36.539 39.244 -18.560 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -37.143 39.361 -17.139 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -42.765 42.709 -19.050 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -41.843 42.568 -18.765 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -43.179 43.151 -18.294 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -32.832 37.264 -1.566 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -32.787 36.325 -1.858 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -33.546 37.268 -0.898 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -33.443 36.740 4.290 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -33.096 37.328 3.581 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -32.649 36.524 4.834 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -32.297 40.748 1.911 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -32.402 41.490 2.515 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -32.920 40.953 1.166 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -20.782 8.717 -11.170 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -21.732 8.710 -10.932 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -20.758 8.352 -12.060 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -16.478 14.405 -12.041 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -16.573 13.440 -12.197 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -16.847 14.537 -11.134 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -19.595 18.109 -12.608 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -18.725 17.678 -12.473 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -20.214 17.561 -12.089 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -19.522 11.502 -9.084 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -18.733 11.547 -9.646 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -19.169 11.267 -8.196 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -17.897 6.974 -12.319 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -18.227 6.114 -12.594 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -17.137 7.144 -12.926 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -14.106 8.879 -6.881 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -14.958 9.050 -7.344 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -13.871 7.961 -7.152 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -17.104 17.171 -11.883 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -16.915 16.222 -12.048 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -16.231 17.566 -11.756 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -20.003 13.240 -5.355 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -19.488 14.052 -5.488 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -20.606 13.215 -6.129 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -18.791 17.741 -9.671 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -18.143 17.624 -10.396 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -19.589 17.256 -9.982 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -24.275 18.001 -7.720 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -24.011 17.838 -6.789 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -25.233 18.053 -7.685 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -23.832 17.797 -5.005 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -22.977 17.744 -4.566 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -24.475 17.604 -4.299 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -21.061 16.601 -10.681 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -21.750 17.245 -10.401 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -21.479 15.728 -10.544 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -18.999 8.428 -7.175 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -18.935 9.372 -6.908 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -19.122 8.459 -8.137 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -18.253 8.695 -10.224 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -19.197 8.873 -10.439 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -17.981 8.031 -10.897 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -22.908 9.332 -6.857 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -22.296 8.767 -6.328 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -22.553 10.220 -6.758 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -23.433 8.798 -10.508 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -24.293 8.863 -10.938 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -23.606 8.254 -9.708 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -17.298 15.010 -9.572 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -17.833 15.701 -9.152 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -16.957 14.478 -8.817 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -20.936 13.557 -7.929 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -21.598 13.894 -8.568 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -20.475 12.841 -8.419 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -16.787 11.660 -11.843 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -17.196 10.811 -12.034 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -16.560 11.611 -10.888 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -22.734 18.640 -9.919 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -23.273 19.261 -10.453 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -23.297 18.446 -9.132 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -18.921 15.293 -7.216 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -19.678 14.789 -7.576 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -18.166 14.661 -7.265 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -24.210 7.419 -8.236 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -24.996 7.202 -7.724 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -23.787 8.157 -7.727 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -13.424 6.533 -8.045 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -12.472 6.352 -8.167 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -13.778 6.551 -8.943 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -15.817 7.302 -14.021 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -15.424 7.437 -14.887 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -15.101 7.552 -13.391 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -17.755 17.950 -7.184 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -18.026 17.110 -6.779 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -18.176 17.929 -8.072 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -25.337 17.261 -2.293 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -25.285 16.825 -1.414 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -25.005 18.168 -2.130 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -22.435 14.134 -10.190 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -22.300 13.158 -10.266 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -23.284 14.287 -10.615 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -22.139 11.431 -10.180 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -22.545 10.551 -10.258 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -21.208 11.245 -9.945 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -22.054 5.751 -7.579 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -22.056 4.943 -8.097 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -22.805 6.265 -7.931 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -15.226 9.875 -4.550 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -15.546 10.706 -4.989 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -14.730 9.413 -5.260 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -13.977 8.311 -12.284 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -13.235 8.109 -11.669 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -14.229 9.211 -12.059 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -16.471 8.950 -8.200 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -16.947 8.840 -9.057 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -17.085 8.577 -7.542 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -14.129 15.794 -11.865 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -13.886 15.759 -10.919 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -14.846 15.127 -11.953 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -24.139 20.497 -11.604 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -23.649 20.932 -12.325 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -25.052 20.491 -11.911 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -20.426 20.010 -9.175 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -21.266 19.545 -9.364 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -19.740 19.340 -9.344 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -19.992 13.978 2.663 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -19.902 12.998 2.707 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -20.962 14.123 2.560 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -21.309 9.724 6.106 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -21.352 9.507 7.065 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -20.948 8.930 5.700 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -18.105 14.667 4.454 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -17.571 15.348 4.003 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -18.863 14.514 3.842 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -23.863 16.832 7.448 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -23.946 17.809 7.368 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -24.257 16.498 6.630 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -22.112 13.323 6.860 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -22.096 12.881 5.980 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -23.058 13.536 7.003 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -14.874 7.589 9.433 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -15.849 7.638 9.459 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -14.670 7.470 8.499 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -24.940 13.231 7.122 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -25.599 13.923 6.877 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -25.137 12.498 6.527 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -23.223 17.217 10.070 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -23.397 17.105 9.104 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -23.947 16.719 10.497 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -15.866 16.125 6.271 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -16.201 15.909 5.388 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -16.262 15.439 6.852 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -16.868 12.043 11.829 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -17.634 12.138 11.222 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -16.281 11.412 11.369 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -21.948 11.865 4.543 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -21.225 11.728 3.894 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -21.896 11.068 5.121 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -21.154 7.583 -5.739 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -21.444 6.783 -6.226 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -20.269 7.778 -6.110 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -15.724 11.413 8.036 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -16.637 11.069 7.955 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -15.352 11.313 7.139 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -17.571 11.993 4.730 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -17.566 12.968 4.649 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -16.630 11.757 4.849 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -18.356 10.967 7.512 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -18.810 11.743 7.110 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -18.127 10.403 6.743 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -26.672 15.050 6.046 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -26.229 15.912 5.959 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -27.189 14.965 5.222 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -24.151 12.846 9.745 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -24.422 13.667 10.207 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -24.547 12.935 8.849 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -18.045 11.251 -1.166 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -18.626 11.878 -1.657 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -17.942 10.490 -1.781 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -25.653 19.393 12.543 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -26.107 20.148 12.099 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -24.827 19.769 12.863 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -29.089 20.483 5.657 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -29.348 19.714 6.205 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -29.461 21.251 6.132 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -16.223 7.629 13.070 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -15.735 6.783 13.098 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -16.850 7.515 12.320 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -29.851 20.682 11.871 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -29.808 20.174 12.708 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -30.328 21.501 12.116 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -17.894 7.212 10.973 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -18.795 7.321 11.327 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -17.952 7.551 10.055 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -19.511 13.069 -2.629 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -20.284 13.550 -2.253 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -19.699 13.034 -3.592 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -19.629 11.353 3.073 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -18.938 11.443 3.770 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -19.200 10.801 2.388 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -19.940 7.746 12.911 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -19.354 8.488 13.189 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -20.020 7.201 13.702 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -21.371 9.298 8.790 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -21.442 10.264 8.924 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -21.528 8.928 9.673 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -16.783 14.031 7.820 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -17.693 13.769 7.559 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -16.322 13.181 7.966 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -17.626 8.339 3.422 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -17.564 7.460 2.983 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -17.823 8.957 2.689 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -23.342 11.513 12.181 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -22.852 10.707 11.912 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -23.829 11.773 11.381 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -14.798 7.274 1.237 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -15.090 8.180 1.458 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -14.047 7.107 1.857 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -19.329 13.456 6.805 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -20.307 13.529 6.802 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -19.054 13.892 5.975 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -25.094 15.340 2.914 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -26.037 15.114 3.030 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -24.917 15.979 3.632 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -27.805 15.595 3.502 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -28.085 15.681 2.565 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -27.994 16.473 3.889 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -29.376 19.398 9.415 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -28.866 20.190 9.155 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -29.711 19.619 10.306 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -22.700 13.952 2.633 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -23.574 14.392 2.677 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -22.750 13.250 3.307 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -24.557 19.848 -2.014 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -24.833 20.542 -2.657 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -23.719 20.170 -1.663 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -15.483 4.975 12.593 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -15.356 4.446 13.418 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -16.401 4.810 12.346 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -16.860 9.174 5.886 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -16.153 9.762 5.566 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -17.233 8.779 5.059 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -25.495 16.230 0.282 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -25.106 15.979 1.141 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -26.449 16.081 0.404 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -22.008 19.556 11.039 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -22.604 18.872 10.663 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -22.285 20.387 10.592 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -28.273 15.840 0.782 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -28.763 15.079 0.448 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -28.334 16.503 0.054 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -21.995 12.707 14.223 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -21.095 12.491 13.877 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -22.601 12.169 13.659 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -21.620 12.018 9.207 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -22.515 12.196 9.573 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -21.658 12.393 8.301 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -28.023 17.535 -1.339 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -28.210 18.437 -1.658 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -27.240 17.261 -1.853 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -17.320 9.252 -2.863 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -16.665 9.448 -3.568 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -17.906 8.596 -3.260 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -19.622 12.280 13.032 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -19.122 12.975 12.560 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -19.015 11.517 13.046 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -21.465 9.621 11.586 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -20.781 10.291 11.730 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -21.127 8.830 12.055 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -18.268 9.743 13.628 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -18.176 10.081 14.548 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -17.431 9.270 13.464 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -25.730 21.735 -3.664 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -25.934 22.689 -3.761 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -25.262 21.503 -4.503 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -27.986 18.052 4.836 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -28.147 19.012 4.778 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -28.470 17.784 5.648 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -14.066 13.900 5.165 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -14.373 14.573 5.791 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -13.516 14.399 4.529 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -16.539 15.263 10.265 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -15.989 16.041 10.129 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -16.566 14.829 9.385 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -14.626 9.637 -1.863 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -14.595 9.685 -2.844 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -15.524 9.316 -1.673 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -17.744 10.189 1.366 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -17.932 10.515 0.459 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -16.766 10.197 1.426 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -17.173 6.105 1.939 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -17.224 5.184 1.679 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -16.302 6.404 1.600 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -17.555 8.387 8.490 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -18.185 9.124 8.559 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -17.246 8.428 7.559 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -15.240 3.507 14.876 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -14.791 3.995 15.598 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -15.149 2.585 15.124 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -29.448 19.690 14.421 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -29.074 18.832 14.128 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -28.665 20.292 14.453 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -27.151 21.326 11.335 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -28.038 21.114 11.684 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -27.310 21.538 10.399 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -28.459 21.971 8.943 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -28.926 22.276 8.138 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -28.804 22.552 9.654 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -29.616 18.069 7.060 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -30.172 17.304 7.247 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -29.462 18.476 7.947 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -25.354 17.256 4.932 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -24.772 17.883 4.457 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -26.246 17.661 4.865 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -17.289 17.120 16.211 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -17.506 17.207 15.267 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -17.218 16.169 16.348 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -21.603 19.775 19.674 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -20.945 20.505 19.601 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -21.071 18.955 19.526 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -24.685 17.351 17.600 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -24.344 17.499 18.513 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -25.450 17.933 17.539 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -21.503 14.145 16.544 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -21.689 13.507 15.822 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -22.150 14.857 16.402 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -17.002 13.263 20.810 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -16.454 14.014 21.060 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -16.428 12.481 20.971 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -19.102 11.889 19.798 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -18.399 12.467 20.181 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -19.753 11.808 20.504 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -19.946 22.010 19.142 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -19.580 21.576 18.342 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -19.866 22.969 18.952 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -19.516 20.742 11.724 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -20.430 20.429 11.622 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -19.322 20.620 12.677 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -19.500 20.308 16.938 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -19.141 19.412 16.875 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -20.464 20.191 16.802 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -17.572 9.907 18.438 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -16.937 9.388 18.973 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -18.058 10.443 19.092 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -21.844 18.098 15.046 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -22.016 18.853 15.650 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -22.443 17.401 15.361 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -13.052 10.491 22.164 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -12.399 9.772 22.053 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -12.519 11.246 22.505 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -19.180 12.973 17.245 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -20.073 13.374 17.123 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -19.219 12.570 18.140 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -17.845 10.936 16.008 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -18.402 11.676 16.336 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -17.692 10.382 16.816 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -17.870 14.341 15.284 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -18.377 13.911 16.010 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -18.527 14.880 14.823 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -22.754 15.040 13.057 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -22.509 14.170 13.450 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -22.802 15.641 13.825 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -23.525 15.866 15.686 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -24.210 15.201 15.536 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -23.897 16.432 16.412 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -22.239 20.075 16.976 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -22.661 20.965 16.963 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -22.216 19.841 17.923 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -23.385 22.457 17.733 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -24.309 22.715 17.517 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -23.337 22.527 18.707 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -17.963 16.988 13.489 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -18.694 17.542 13.142 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -17.153 17.367 13.075 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -24.728 15.120 11.194 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -24.114 15.075 11.960 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -25.596 15.256 11.594 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -18.535 14.765 12.058 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -18.233 15.455 12.688 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -17.791 14.690 11.413 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -27.563 21.600 14.496 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -27.836 22.135 15.266 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -26.867 22.132 14.072 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -11.030 8.591 21.818 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -10.613 7.848 22.301 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -10.280 9.111 21.495 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -15.037 10.051 13.262 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -15.313 9.113 13.350 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -14.898 10.165 12.299 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -15.602 11.030 21.571 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -15.995 10.822 22.426 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -14.628 10.922 21.722 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -15.139 10.254 10.492 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -15.194 10.759 9.650 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -14.934 9.341 10.209 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -15.530 8.770 19.941 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -15.531 9.637 20.396 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -15.016 8.198 20.523 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -13.727 4.374 17.090 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -14.035 5.228 17.481 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -12.767 4.376 17.253 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -20.488 17.344 19.007 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -19.569 17.129 18.805 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -20.946 16.495 18.964 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -21.866 24.631 16.927 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -22.460 25.138 16.333 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -22.372 23.818 17.134 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -27.948 17.933 12.829 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -27.079 18.394 12.841 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -28.160 17.857 11.895 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -26.987 35.787 -29.589 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -26.893 35.540 -28.652 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -27.930 35.583 -29.794 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -29.344 30.590 -34.129 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -28.385 30.643 -34.191 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.664 31.192 -34.845 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -21.194 37.816 -31.449 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -22.059 37.787 -31.903 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -21.353 37.359 -30.597 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -24.601 32.690 -31.862 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -23.966 33.413 -31.776 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -25.399 33.118 -32.237 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -30.532 28.219 -33.352 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -29.886 27.855 -32.720 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -30.068 28.979 -33.760 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -26.610 28.046 -31.761 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -27.566 27.862 -31.699 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -26.195 27.201 -31.564 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -31.250 25.310 -30.936 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -31.236 24.391 -31.223 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -31.607 25.269 -30.011 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -29.227 27.148 -31.163 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -29.912 26.438 -31.179 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.716 26.970 -30.338 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -29.634 32.336 -30.206 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -28.669 32.362 -30.033 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -29.937 31.551 -29.734 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -26.762 34.203 -32.585 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -27.690 34.468 -32.426 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -26.538 34.633 -33.433 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -31.106 28.535 -29.437 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -31.789 28.760 -30.106 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -30.357 28.212 -29.969 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -24.560 35.737 -31.392 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -25.472 35.408 -31.308 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -24.334 36.051 -30.492 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -25.203 36.073 -26.775 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -25.372 35.121 -26.978 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -26.092 36.431 -26.600 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -27.942 37.726 -33.259 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -28.232 38.391 -32.577 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -28.346 36.881 -32.952 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -29.925 27.675 -27.019 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -30.387 28.167 -26.303 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -30.397 27.948 -27.838 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.152 28.484 -23.297 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -28.473 29.172 -23.426 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -29.877 28.743 -23.900 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -19.245 41.139 -23.986 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -19.273 41.022 -24.969 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -19.826 40.423 -23.647 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -27.918 27.074 -28.839 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -28.510 27.035 -28.067 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -27.396 27.890 -28.700 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -26.217 33.675 -27.318 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -26.469 33.111 -26.551 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -26.510 33.165 -28.096 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -29.588 35.097 -29.875 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -30.260 35.588 -30.382 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -29.793 34.156 -30.051 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -26.808 29.589 -28.387 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -26.213 29.650 -29.169 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -26.930 30.508 -28.117 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -23.277 35.129 -25.014 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -23.778 34.427 -24.556 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -23.921 35.512 -25.642 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -29.264 35.379 -32.890 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -29.565 35.040 -33.755 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -30.087 35.670 -32.444 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -26.695 35.887 -34.882 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -25.842 36.253 -35.195 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -27.083 36.613 -34.350 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -19.486 38.240 -27.737 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -19.060 38.687 -28.498 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -20.180 37.682 -28.147 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -28.976 24.413 -24.725 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -29.776 24.618 -25.252 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -28.700 23.549 -25.042 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -29.276 35.087 -35.697 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -28.313 35.228 -35.588 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -29.644 35.994 -35.749 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -21.130 36.521 -24.135 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -20.896 35.921 -23.419 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -21.924 36.100 -24.549 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -26.709 32.234 -25.072 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -26.071 32.747 -24.535 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -26.789 31.384 -24.597 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -32.417 28.139 -21.616 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -32.068 29.050 -21.527 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -33.390 28.258 -21.635 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -25.473 30.320 -30.655 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -24.949 30.946 -31.201 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -25.702 29.591 -31.274 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -24.892 33.436 -23.342 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -24.801 34.231 -22.772 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -25.066 32.711 -22.709 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -27.565 28.726 -25.900 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -27.173 28.994 -26.756 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -28.347 28.203 -26.150 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -26.913 32.452 -29.711 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -26.680 33.198 -30.289 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -26.362 31.708 -30.047 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -27.597 26.134 -23.103 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -28.030 25.489 -23.708 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -28.162 26.933 -23.164 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -26.172 25.525 -20.811 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -26.008 24.580 -20.749 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -26.737 25.621 -21.610 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -31.353 36.614 -31.487 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -31.072 37.561 -31.378 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -32.120 36.521 -30.870 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -25.385 27.691 -22.498 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -26.002 27.083 -22.949 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -25.252 27.285 -21.627 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -33.692 26.572 -31.439 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -33.417 27.493 -31.652 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -32.847 26.080 -31.381 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -24.060 37.065 -29.036 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -24.692 37.716 -29.402 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -24.485 36.760 -28.202 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -21.410 36.651 -28.929 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -21.305 35.793 -28.504 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -22.380 36.828 -28.880 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -18.425 37.922 -31.634 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -18.282 38.583 -30.927 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -19.373 37.699 -31.563 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -26.179 38.294 -30.360 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -26.540 37.399 -30.173 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -26.938 38.778 -30.763 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -29.943 32.440 -36.016 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -30.402 32.443 -36.860 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -29.731 33.386 -35.855 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -18.670 37.379 -25.081 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -18.712 37.669 -26.010 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -19.562 37.026 -24.903 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -22.952 30.401 -15.534 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -23.887 30.177 -15.718 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -22.568 29.573 -15.227 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -21.356 28.269 -10.621 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -22.311 28.293 -10.513 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -21.195 27.451 -11.151 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -30.697 30.718 -12.329 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -31.355 30.350 -12.959 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -30.134 31.282 -12.881 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -18.808 28.588 -12.756 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -18.211 27.935 -12.330 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -19.654 28.127 -12.815 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -32.277 29.991 -14.477 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -31.640 29.998 -15.225 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -33.092 29.660 -14.865 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -21.054 26.072 -12.161 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -21.842 25.747 -12.639 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -20.674 25.262 -11.752 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -18.069 20.242 -13.432 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -18.658 19.541 -13.069 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -18.554 20.585 -14.189 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -25.449 29.163 -15.891 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -25.231 28.508 -15.186 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -25.705 28.620 -16.648 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -23.412 24.867 -13.246 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -23.376 24.002 -13.694 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -24.002 24.711 -12.477 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -22.647 34.191 -18.202 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -23.043 35.035 -17.898 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -23.385 33.734 -18.655 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -24.525 34.248 -10.885 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -25.247 34.319 -10.215 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -24.976 34.432 -11.739 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -17.880 22.247 -11.515 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -17.743 21.536 -12.171 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.977 22.450 -11.186 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -26.490 34.780 -9.062 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -26.249 35.609 -8.633 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -27.412 34.620 -8.770 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -30.175 33.563 -17.943 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -31.097 33.898 -18.006 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -29.759 34.143 -17.277 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -18.080 31.204 -12.601 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -18.377 30.274 -12.768 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -17.232 31.104 -12.153 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -21.606 32.780 -15.390 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -21.661 33.194 -16.268 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -22.067 31.913 -15.503 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -27.259 32.811 -18.310 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -28.206 33.023 -18.371 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -27.203 31.880 -18.625 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -27.996 29.783 -14.941 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -28.193 30.718 -14.742 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -27.067 29.792 -15.250 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -27.431 26.344 -5.730 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -26.555 26.797 -5.649 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -28.081 27.029 -5.466 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -22.134 39.294 -16.978 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -22.876 38.741 -17.263 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -21.790 38.843 -16.197 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -27.437 30.326 -19.561 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -28.411 30.435 -19.487 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -27.303 29.349 -19.513 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -30.641 29.874 -9.671 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -30.583 30.058 -10.637 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -30.110 29.063 -9.550 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -19.439 36.767 -19.830 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -19.910 35.910 -19.976 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -18.935 36.907 -20.660 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -29.052 28.426 -4.833 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -29.005 29.038 -5.595 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -29.985 28.493 -4.537 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -20.249 22.640 -8.391 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -20.322 21.704 -8.685 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -21.067 22.790 -7.872 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -27.911 27.920 -12.891 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -28.467 27.241 -13.282 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -27.936 28.652 -13.542 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -28.877 27.810 -8.576 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -29.324 26.984 -8.268 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -27.930 27.570 -8.617 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -26.120 27.265 -8.446 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -25.617 27.462 -7.629 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -26.218 26.296 -8.436 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -20.044 23.736 -11.029 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -19.202 23.255 -11.226 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -20.216 23.532 -10.085 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -27.428 27.604 -19.457 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -26.892 26.853 -19.781 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -28.315 27.452 -19.853 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -24.723 27.321 -13.955 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -25.103 27.369 -13.056 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -24.161 26.523 -13.930 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -25.792 27.191 -11.302 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -26.607 27.518 -11.750 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -25.909 27.456 -10.368 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -24.862 33.254 -19.640 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -25.012 32.546 -20.304 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -25.654 33.211 -19.066 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -17.148 28.873 -7.521 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -17.704 28.907 -8.337 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -17.794 28.831 -6.801 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -29.472 32.223 -14.800 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -29.335 33.047 -15.287 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -29.992 31.665 -15.412 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -24.319 36.368 -17.701 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -24.686 36.854 -18.466 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -25.103 35.974 -17.266 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -29.293 30.075 -7.164 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -28.981 29.267 -7.633 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -30.009 30.408 -7.733 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -20.640 34.340 -20.034 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -20.736 33.474 -20.440 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -21.304 34.337 -19.306 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -18.793 28.659 -9.636 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -19.744 28.624 -9.871 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -18.380 27.999 -10.226 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -25.413 34.717 -13.470 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -25.299 34.599 -14.424 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -26.185 35.321 -13.397 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -31.580 30.841 -21.447 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -31.272 31.326 -22.223 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -32.538 31.075 -21.378 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -26.476 34.895 -16.509 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -27.364 35.019 -16.139 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -26.561 34.096 -17.065 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -18.309 36.379 -17.344 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -17.689 35.667 -17.532 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -18.830 36.467 -18.173 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -27.723 23.713 -10.317 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -28.681 23.701 -10.391 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -27.556 24.020 -9.397 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -28.264 32.353 -6.084 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -28.551 31.512 -6.511 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -28.285 33.007 -6.808 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -30.058 31.031 -19.137 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -30.632 30.921 -19.928 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -30.238 31.945 -18.833 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -24.739 24.511 -6.469 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -25.085 24.230 -5.600 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -24.609 25.481 -6.370 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -22.614 39.152 -20.768 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.860 39.435 -20.217 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -23.171 39.962 -20.857 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -26.642 39.518 -22.069 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -26.799 38.549 -22.118 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -27.189 39.875 -22.789 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -17.610 26.679 -11.242 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -17.967 25.792 -11.388 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -16.982 26.565 -10.489 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -31.750 26.313 -23.516 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -32.113 26.867 -22.786 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -31.020 25.832 -23.103 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -29.297 35.124 -15.854 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -29.093 36.076 -15.976 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -30.178 35.129 -15.412 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -28.974 34.798 -7.824 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -29.144 35.755 -7.982 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -29.818 34.464 -7.460 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -24.900 37.773 -20.070 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -25.525 38.482 -20.281 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -24.021 38.155 -20.294 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -18.461 37.724 -22.298 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -18.146 37.440 -23.181 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -19.291 38.209 -22.491 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -24.753 35.389 -21.434 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -24.686 36.230 -20.937 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -24.700 34.699 -20.740 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -24.724 28.953 -1.325 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -23.816 28.834 -1.037 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -24.797 28.383 -2.135 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -25.821 31.452 -21.527 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -25.996 30.906 -22.322 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -26.396 31.052 -20.837 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -26.574 29.832 -23.666 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -26.818 29.423 -24.533 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -26.018 29.143 -23.227 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -25.273 24.494 -11.240 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -26.159 24.126 -11.009 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -25.410 25.467 -11.229 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -23.636 22.675 -9.943 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -23.772 21.867 -10.470 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -24.182 23.351 -10.395 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -27.093 24.652 -7.842 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -26.223 24.297 -7.553 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -27.379 25.218 -7.090 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -22.822 22.778 -7.395 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -23.400 23.491 -7.049 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -23.061 22.721 -8.353 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -24.233 21.021 -5.799 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -23.678 21.575 -6.390 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -23.908 20.122 -5.942 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -24.492 41.089 -21.045 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -25.307 40.625 -21.322 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -24.616 42.007 -21.367 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -31.739 38.589 -15.206 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -32.406 38.803 -15.901 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -31.791 39.342 -14.591 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -29.111 37.865 -15.438 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -30.052 38.162 -15.432 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -28.617 38.663 -15.688 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -15.396 22.985 -10.575 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -14.705 22.388 -10.923 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -14.971 23.422 -9.820 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -31.689 23.457 -3.817 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -31.358 23.604 -2.903 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -31.508 22.527 -3.985 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -21.847 41.027 -12.426 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -21.942 41.601 -11.644 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -21.472 41.601 -13.096 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -29.362 37.531 -8.297 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -29.883 38.311 -8.021 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -28.561 37.916 -8.705 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -27.735 36.222 -13.588 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -28.160 36.899 -14.145 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -28.371 35.496 -13.571 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -31.753 35.772 -14.939 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -32.494 35.548 -14.360 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -31.765 36.753 -14.977 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -23.216 22.045 -13.942 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -23.090 21.548 -14.756 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -22.368 21.921 -13.450 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -14.461 18.232 -8.959 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -14.323 17.263 -8.918 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -13.981 18.504 -9.765 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -15.324 20.087 -13.100 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -14.985 19.253 -13.479 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -16.289 20.059 -13.275 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -21.060 21.516 -12.422 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -20.786 22.354 -11.993 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -20.653 20.827 -11.877 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -32.574 34.922 -17.484 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -33.326 35.471 -17.753 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -32.367 35.227 -16.582 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -20.040 39.449 -19.655 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -19.966 38.473 -19.767 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -19.455 39.814 -20.356 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -18.206 36.347 -14.490 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -18.326 36.319 -15.459 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -18.019 35.416 -14.244 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -27.428 20.209 -2.080 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -26.577 19.876 -1.753 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -27.179 20.797 -2.822 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -21.706 35.615 3.002 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -21.035 34.993 3.308 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -22.548 35.107 3.078 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -14.435 29.872 11.715 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -15.317 29.461 11.804 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -14.584 30.804 11.981 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -26.212 24.470 -4.059 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -26.857 24.986 -4.587 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -25.843 25.118 -3.442 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -29.833 22.948 6.770 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -30.649 23.467 6.755 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -29.215 23.461 6.204 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -28.589 25.742 -0.764 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -29.127 25.056 -1.192 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -28.148 26.205 -1.511 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -17.739 37.130 9.044 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -17.438 36.578 8.279 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -16.958 37.167 9.631 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -16.711 32.125 15.028 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -17.670 32.297 15.118 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -16.360 32.261 15.932 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -26.371 34.666 3.157 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -25.390 34.566 3.029 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -26.738 34.571 2.255 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -17.766 33.553 8.975 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -18.336 32.885 8.518 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -17.525 34.191 8.262 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -28.718 25.316 8.746 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -27.982 24.818 8.363 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -29.024 24.754 9.495 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -31.299 36.077 5.799 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -30.346 35.875 5.740 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -31.574 35.686 6.658 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -28.096 22.185 3.711 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -28.425 21.530 4.360 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -28.078 21.698 2.870 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -31.614 35.316 8.393 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -30.693 35.310 8.714 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -32.009 34.504 8.783 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -25.136 38.557 14.317 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -24.935 38.026 13.518 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -25.524 37.918 14.931 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -18.083 29.651 10.085 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -18.844 30.270 9.927 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -18.039 29.129 9.279 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -28.929 30.443 14.117 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -28.933 29.861 14.907 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -28.259 30.039 13.535 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -25.706 23.784 14.307 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -24.810 24.075 14.088 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -25.698 23.700 15.285 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -32.521 38.027 2.121 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -32.407 39.004 2.094 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -31.796 37.686 1.558 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -15.650 34.088 10.689 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -16.372 33.808 10.081 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -15.626 33.381 11.374 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -19.004 30.266 16.745 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -18.884 29.574 16.062 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -19.328 31.044 16.245 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -30.140 24.646 14.782 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -29.763 25.542 14.618 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -29.442 24.183 15.283 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -28.061 24.463 5.294 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -28.040 23.760 4.600 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -27.153 24.481 5.643 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -29.273 21.479 -0.485 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -28.688 21.059 -1.150 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -29.033 21.038 0.352 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -33.096 24.521 8.641 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -32.653 24.058 9.361 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -33.569 23.829 8.167 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -30.120 33.718 11.212 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -30.625 33.065 11.730 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -29.936 34.443 11.856 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -19.546 35.180 5.980 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -19.561 34.299 5.534 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -18.625 35.255 6.331 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -28.565 35.630 6.172 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -28.655 35.718 7.135 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -28.311 36.530 5.869 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -32.868 32.742 6.687 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -33.640 33.319 6.507 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -32.763 32.782 7.660 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -28.220 19.972 1.619 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -28.555 19.270 2.191 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -27.639 19.514 0.996 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -33.903 25.356 -0.418 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -33.115 25.568 -0.935 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -34.076 24.429 -0.616 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -27.524 27.292 -2.787 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -27.945 27.754 -3.538 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -26.558 27.359 -2.976 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -29.246 23.763 10.891 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -29.988 23.465 11.462 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -28.568 24.085 11.531 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -27.706 25.050 12.768 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -26.972 24.570 13.209 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -27.928 25.776 13.395 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -29.969 33.133 -4.122 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -30.591 33.743 -4.550 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -29.432 32.782 -4.872 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -20.578 17.779 12.634 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -20.970 17.870 13.536 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -20.982 18.514 12.127 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -20.362 36.419 8.238 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -20.213 35.908 7.406 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -19.465 36.518 8.620 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -24.006 26.768 22.248 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -23.589 26.502 23.100 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -24.193 25.918 21.798 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -12.423 29.578 21.671 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -11.605 30.070 21.775 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -12.592 29.593 20.706 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -29.015 27.486 18.556 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -29.982 27.406 18.751 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -28.984 27.857 17.649 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -27.004 26.088 25.273 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -27.962 26.057 25.378 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -26.868 26.659 24.476 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -24.713 26.330 26.811 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -24.939 26.878 27.567 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -25.553 26.250 26.311 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.583 22.858 25.089 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -16.261 22.862 25.810 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -15.079 23.675 25.232 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -23.203 25.724 24.614 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -22.478 25.084 24.759 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -23.496 25.973 25.523 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -23.797 22.042 24.738 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -24.237 21.466 25.370 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -24.476 22.713 24.509 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -24.662 29.022 20.820 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -24.241 28.376 21.424 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -25.543 28.635 20.636 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.649 30.857 18.964 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -18.161 30.650 18.143 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -16.864 31.343 18.635 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -32.139 30.526 18.979 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -31.741 30.341 18.099 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -31.402 30.844 19.506 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -20.980 27.423 19.736 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -21.247 27.409 20.663 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -20.644 28.336 19.598 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -15.270 20.288 24.270 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -15.336 21.219 24.595 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -15.746 19.773 24.932 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -22.001 31.405 17.161 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -22.035 31.252 16.196 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -22.459 30.628 17.543 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -20.189 30.078 19.772 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -19.265 30.338 19.569 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -20.719 30.566 19.121 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -23.670 29.680 18.421 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -24.300 30.416 18.276 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -23.837 29.410 19.357 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -19.619 24.392 26.066 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -19.320 25.121 25.504 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -20.326 23.963 25.545 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -17.465 22.589 29.616 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -17.783 21.940 30.280 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -17.107 23.307 30.142 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -25.541 31.666 18.677 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -26.317 31.521 18.088 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -25.829 31.325 19.535 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -23.112 33.092 19.001 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -22.628 32.615 18.294 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -24.035 32.784 18.905 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -19.487 32.709 15.516 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -19.588 33.217 14.689 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -20.099 33.151 16.139 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.368 34.636 16.451 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -21.486 35.550 16.109 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -21.759 34.662 17.336 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -26.932 27.605 20.235 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -27.762 27.724 19.714 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -26.493 26.846 19.808 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -30.812 30.000 16.624 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -30.125 29.328 16.417 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -31.401 29.987 15.845 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -25.366 24.171 24.048 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -24.596 24.759 24.206 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -26.115 24.650 24.455 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -23.748 18.011 20.056 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -23.889 17.928 21.004 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -22.988 18.622 19.979 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -26.615 27.415 22.971 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -25.662 27.327 22.780 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -27.017 27.577 22.094 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -21.528 23.485 24.251 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -22.262 22.871 24.491 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -21.215 23.151 23.385 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -24.675 24.226 21.343 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -24.072 23.476 21.136 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -25.031 24.011 22.231 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -22.876 22.258 20.579 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -22.065 22.585 21.025 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -22.667 21.332 20.363 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -21.779 30.502 11.830 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -21.254 30.673 11.015 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -22.690 30.757 11.585 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -17.709 31.404 22.118 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -17.546 32.146 21.527 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -18.654 31.492 22.359 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -22.581 31.025 14.430 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -22.774 31.988 14.358 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -22.144 30.806 13.570 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -15.532 31.783 17.503 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -14.663 32.102 17.832 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -15.323 30.944 17.045 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -21.933 33.058 21.516 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -22.268 33.049 20.593 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -22.495 33.695 21.961 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -20.397 30.958 22.395 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -20.411 30.499 21.530 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -20.984 31.737 22.257 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -17.062 29.032 12.523 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -17.433 29.295 11.641 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -17.841 28.986 13.102 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -26.688 35.674 13.397 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -26.227 35.587 14.258 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -26.040 36.145 12.831 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -27.786 30.848 17.274 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -28.695 31.175 17.226 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -27.837 29.954 16.886 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -18.270 20.904 31.645 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -18.934 21.038 32.329 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -18.050 19.969 31.707 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -23.522 26.922 18.631 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -23.632 27.850 18.347 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -22.604 26.882 18.959 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -22.975 33.711 14.437 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -22.758 34.294 13.681 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -22.302 33.938 15.117 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -28.322 24.754 18.651 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -27.407 24.918 18.949 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -28.751 25.632 18.710 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -20.012 24.895 18.863 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -20.666 24.769 18.138 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -20.251 25.760 19.247 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -24.717 35.729 15.315 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -24.346 34.840 15.167 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -23.931 36.289 15.465 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -29.364 35.761 12.826 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -29.582 36.679 13.008 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -28.412 35.687 13.067 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -19.218 33.083 11.252 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -19.701 32.326 10.847 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -18.608 33.371 10.546 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -19.691 34.562 13.404 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -18.847 35.016 13.505 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -19.548 33.956 12.627 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -22.188 36.904 15.133 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -22.053 36.727 14.186 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -22.226 37.889 15.191 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -33.764 28.487 19.785 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -33.246 29.284 19.519 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -34.018 28.669 20.718 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -19.522 28.950 24.209 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -19.651 29.220 25.121 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -19.925 29.674 23.684 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -18.944 25.379 23.475 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -18.623 24.449 23.485 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -19.895 25.299 23.323 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -17.609 22.727 26.857 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -17.561 22.598 27.831 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -18.380 23.324 26.734 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -31.999 25.202 16.773 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -32.506 24.407 17.022 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -31.395 24.892 16.066 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -20.410 22.666 21.800 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -20.061 22.417 20.915 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -19.623 22.622 22.387 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -16.680 21.138 22.049 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -16.134 21.472 21.307 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -16.037 20.707 22.645 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -15.053 22.756 20.467 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -14.073 22.756 20.504 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -15.319 23.389 21.168 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -28.622 23.078 16.575 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -29.437 22.528 16.590 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -28.686 23.630 17.395 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -25.677 25.378 19.111 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -24.900 25.936 18.847 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -25.378 24.932 19.941 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -18.297 22.706 23.549 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -18.111 22.438 24.463 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -17.737 22.102 23.001 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -25.841 23.555 17.059 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -26.789 23.325 17.005 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -25.810 24.294 17.705 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -22.707 39.582 15.011 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -23.642 39.383 14.784 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -22.694 40.532 15.149 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -25.844 39.306 10.973 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -26.681 38.853 10.716 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -26.001 39.594 11.880 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -20.918 46.822 -28.588 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -21.113 46.197 -29.326 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -20.039 47.191 -28.814 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -29.291 44.490 -31.000 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -29.866 45.274 -30.829 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -29.873 43.726 -30.809 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -23.788 50.177 -32.690 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -23.814 50.626 -33.539 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -22.968 50.506 -32.267 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -26.367 38.935 -36.653 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -26.562 38.348 -37.388 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -25.695 38.450 -36.130 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -22.296 49.124 -29.107 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -23.091 48.807 -29.594 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -21.822 48.297 -28.858 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -19.135 42.551 -29.868 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -19.540 42.742 -30.737 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -19.907 42.437 -29.266 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -25.226 41.930 -31.113 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -25.203 41.156 -31.708 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -25.721 42.605 -31.620 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -31.030 46.545 -30.937 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -31.982 46.371 -30.800 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -30.977 46.886 -31.852 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -26.449 43.714 -32.912 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -26.901 44.529 -33.218 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -27.169 43.042 -32.878 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -33.915 43.375 -32.096 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -33.447 42.520 -32.046 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -34.868 43.124 -32.056 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -25.024 50.716 -28.762 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -24.926 49.928 -29.344 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -24.293 50.636 -28.125 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -18.330 39.890 -29.689 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -18.813 40.686 -29.996 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -17.537 40.245 -29.273 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -23.722 37.899 -32.828 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -24.338 38.633 -32.646 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -24.083 37.145 -32.307 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -19.348 49.538 -26.764 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -19.121 49.219 -27.652 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -19.444 50.507 -26.871 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -16.719 44.809 -25.896 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -15.805 44.649 -26.156 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -17.228 44.710 -26.737 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -28.095 45.862 -33.040 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -28.827 46.371 -33.431 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -28.534 45.290 -32.370 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -21.675 50.950 -31.063 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -20.701 51.014 -31.007 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -21.904 50.280 -30.385 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -24.550 48.675 -30.533 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -24.400 49.136 -31.392 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -25.162 47.939 -30.760 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -22.469 54.779 -28.904 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -23.176 55.433 -28.908 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -22.856 54.007 -29.372 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -27.116 44.718 -29.394 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -27.517 44.503 -28.517 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -27.832 44.516 -30.035 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -25.537 53.958 -25.743 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -25.623 54.897 -25.550 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -25.630 53.908 -26.727 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -23.907 51.794 -25.104 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -24.395 52.627 -25.275 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -23.406 51.635 -25.937 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -17.514 43.428 -23.560 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -17.186 43.821 -24.394 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -17.910 42.582 -23.834 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -27.163 47.962 -26.431 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -26.744 48.732 -25.996 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -27.829 47.655 -25.779 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -21.135 44.439 -26.490 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -21.032 44.061 -25.582 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -20.335 44.964 -26.622 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -24.019 44.969 -31.848 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -24.580 44.349 -32.351 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.625 45.709 -31.631 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -30.792 46.899 -33.695 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -31.205 47.380 -34.418 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -31.197 45.997 -33.743 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -16.709 50.087 -31.693 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -16.534 51.056 -31.754 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -16.072 49.695 -32.296 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -25.923 40.467 -28.778 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -25.906 39.672 -29.345 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -25.751 41.199 -29.394 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -29.902 37.796 -35.204 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -30.036 38.710 -35.538 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -29.175 37.886 -34.555 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -23.551 43.392 -29.550 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -23.326 43.970 -30.301 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -24.169 42.733 -29.937 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -25.956 39.877 -33.006 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -26.495 39.073 -33.099 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -26.583 40.603 -33.183 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -20.832 42.948 -32.089 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -20.677 41.969 -32.120 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -21.451 43.108 -32.809 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -25.647 49.707 -25.029 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -25.009 50.454 -24.979 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -26.362 49.964 -24.417 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -21.425 45.286 -30.772 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -21.053 44.478 -31.185 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -22.269 45.425 -31.243 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -28.207 41.652 -32.822 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -28.331 40.874 -32.223 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -29.110 41.846 -33.147 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -18.988 50.641 -30.288 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -18.253 50.408 -30.900 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -18.698 51.483 -29.881 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -26.163 46.569 -31.194 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -26.810 46.556 -31.932 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -26.545 45.949 -30.534 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -31.113 42.583 -30.199 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -31.689 42.083 -30.810 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -30.590 41.900 -29.758 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -19.890 54.533 -28.114 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -20.833 54.517 -28.419 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -19.710 55.468 -27.965 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -17.943 53.029 -29.315 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -18.690 53.588 -29.001 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -17.352 52.979 -28.554 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -27.487 51.889 -28.521 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -26.647 51.390 -28.612 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -28.156 51.208 -28.411 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -16.496 52.781 -31.667 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -16.381 53.629 -32.105 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -17.032 52.989 -30.874 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -21.316 42.342 -28.252 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -21.329 43.075 -27.598 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -22.148 42.461 -28.757 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -18.581 48.039 -29.361 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -17.723 47.838 -29.755 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -18.843 48.887 -29.779 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.577 52.613 -23.556 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -27.203 51.917 -23.827 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.306 53.033 -24.398 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -19.987 52.244 -26.533 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -19.922 53.098 -27.012 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -19.765 52.476 -25.598 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -28.667 47.517 -24.120 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -29.533 47.057 -24.260 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -28.449 47.332 -23.183 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -22.415 51.074 -27.229 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -22.217 50.378 -27.896 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -21.570 51.560 -27.131 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -28.507 44.046 -27.109 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -29.453 44.252 -27.030 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -28.297 43.589 -26.271 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -20.695 43.578 -23.971 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -20.235 42.719 -23.895 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -20.166 44.184 -23.417 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -19.276 48.738 -24.182 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -20.074 49.192 -23.859 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -19.230 48.989 -25.136 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -17.124 47.014 -24.091 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -17.035 46.398 -24.845 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -17.820 47.644 -24.374 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -15.784 47.133 -21.715 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -16.140 47.035 -22.628 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -15.016 46.552 -21.698 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -17.947 44.560 -28.335 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -18.366 45.279 -28.821 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -18.210 43.752 -28.828 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -31.889 44.455 -33.726 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -31.369 43.626 -33.787 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -32.683 44.200 -33.220 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -27.695 41.296 -36.439 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -27.182 40.462 -36.544 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -27.039 41.942 -36.163 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -28.123 50.211 -23.744 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -28.272 49.260 -23.951 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -29.013 50.534 -23.477 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -25.749 53.998 -28.450 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -25.157 53.703 -29.162 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -26.534 53.410 -28.531 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -19.446 52.882 -23.916 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -19.623 53.656 -23.373 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -19.343 52.154 -23.266 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -19.571 40.766 -26.649 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -20.218 41.218 -27.226 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -19.576 39.838 -26.965 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -23.717 52.703 -30.158 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -23.010 52.230 -30.640 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -24.252 51.987 -29.757 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -20.433 40.330 -32.321 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -20.746 39.476 -31.960 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -19.784 40.073 -33.013 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -30.193 40.452 -35.924 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -30.667 40.793 -36.691 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -29.266 40.780 -36.048 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -24.432 37.373 -35.424 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -24.139 37.622 -34.516 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -23.610 37.195 -35.894 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -18.551 39.257 -34.013 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -18.366 38.717 -33.212 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -18.008 38.859 -34.696 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -20.788 38.993 -22.898 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -21.532 39.041 -22.263 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -21.029 38.249 -23.491 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -15.655 47.206 -10.291 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -16.388 47.685 -10.697 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -14.971 47.896 -10.143 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -32.648 45.800 -11.830 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -33.261 46.119 -12.540 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -33.205 45.750 -11.042 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -21.466 49.900 -12.307 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -21.855 49.024 -12.099 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -21.670 50.034 -13.258 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -26.637 51.888 -10.888 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -25.731 52.278 -10.873 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -26.609 51.191 -10.199 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -30.528 53.389 -22.201 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -30.751 54.323 -22.231 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -29.707 53.355 -21.655 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -19.055 48.822 -14.171 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -18.968 48.774 -13.194 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -19.713 49.526 -14.316 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -19.049 52.734 -14.077 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -19.005 52.495 -15.010 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -18.771 53.676 -14.058 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -19.207 50.458 -17.224 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -18.430 50.474 -17.821 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -19.381 49.509 -17.084 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -28.956 50.919 -13.203 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -29.667 50.978 -12.541 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -28.432 51.731 -13.065 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -19.121 48.862 -11.361 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -18.885 49.187 -10.469 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -19.927 49.371 -11.593 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -23.256 50.623 -10.289 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -23.601 51.482 -10.600 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -22.486 50.454 -10.867 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -27.731 47.828 -8.614 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -27.469 48.757 -8.824 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -28.711 47.837 -8.668 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -21.282 52.165 -17.049 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -20.464 51.610 -17.069 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -21.687 52.018 -17.933 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -18.212 40.419 -21.482 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -17.893 39.529 -21.731 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -18.421 40.844 -22.340 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -28.907 51.836 -7.457 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -29.002 52.502 -6.768 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -29.693 51.253 -7.340 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -30.830 49.999 -11.131 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -31.688 50.095 -10.662 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -30.274 50.717 -10.751 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -19.392 54.812 -6.370 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -19.479 55.765 -6.421 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -19.360 54.521 -7.309 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -19.257 52.415 -11.389 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -19.301 52.512 -12.370 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -18.456 51.874 -11.243 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -28.388 52.336 -15.590 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -28.857 51.645 -15.098 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -27.834 52.774 -14.911 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -26.887 50.357 -8.664 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -25.996 50.386 -8.246 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -27.432 50.964 -8.119 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -19.903 47.779 -16.602 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -20.826 47.515 -16.445 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -19.547 47.958 -15.704 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -26.888 46.068 -10.582 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -27.159 46.698 -9.883 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -26.002 45.760 -10.296 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -33.728 39.261 -16.958 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -34.690 39.455 -16.971 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -33.418 39.568 -17.829 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -26.635 48.433 -4.364 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -26.044 48.314 -5.132 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -26.052 48.289 -3.586 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -24.956 51.374 -19.800 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -25.176 52.244 -20.188 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -25.739 50.828 -19.988 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -21.590 49.597 -21.521 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -21.481 48.627 -21.447 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -21.829 49.740 -22.459 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -31.073 50.213 -7.149 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -31.373 49.942 -6.272 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -30.893 49.360 -7.615 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -18.640 49.992 -8.840 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -19.293 50.608 -8.435 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -18.476 49.329 -8.136 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -19.782 47.587 -19.355 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -19.013 48.090 -19.664 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -19.726 47.636 -18.377 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -14.789 50.248 -7.279 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -14.877 49.690 -8.075 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -13.899 50.659 -7.378 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -23.379 53.462 -15.634 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -22.497 53.129 -15.884 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -23.923 53.296 -16.410 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -30.955 46.043 -24.267 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -30.983 45.337 -24.949 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -31.794 45.951 -23.796 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -21.675 53.558 -10.653 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -20.983 53.051 -11.125 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -21.209 53.937 -9.893 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -21.767 49.923 -15.070 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -22.122 49.285 -15.710 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -21.663 50.743 -15.584 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -19.301 51.129 -21.742 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -18.649 50.398 -21.667 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -20.165 50.688 -21.588 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -19.690 54.574 -16.650 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -20.284 53.820 -16.802 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -19.569 54.969 -17.544 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -28.077 44.274 -7.823 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -27.634 44.981 -7.324 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -28.353 43.641 -7.137 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -17.100 50.565 -19.058 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -17.331 51.106 -19.823 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -16.443 51.113 -18.562 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -32.726 50.778 -9.327 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -33.218 51.592 -9.191 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -32.199 50.674 -8.512 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -25.681 53.646 -21.237 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -25.034 54.310 -21.494 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -25.964 53.237 -22.094 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -22.240 51.516 -19.553 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -23.226 51.501 -19.578 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -21.979 50.762 -20.123 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -29.704 49.020 -20.835 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -30.171 49.536 -21.525 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -28.948 49.592 -20.585 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -19.415 55.524 -19.194 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -19.752 54.746 -19.694 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -19.276 56.194 -19.865 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -27.502 50.668 -20.962 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -27.853 51.575 -20.827 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -27.460 50.571 -21.929 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -15.111 50.203 -12.288 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -15.848 50.613 -11.778 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -15.546 49.851 -13.095 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -28.340 53.281 -20.614 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -28.536 53.374 -19.648 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -27.410 53.578 -20.698 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -20.336 53.323 -20.482 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -21.128 52.858 -20.141 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -19.800 52.611 -20.886 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -20.325 51.541 -7.360 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -21.267 51.576 -7.092 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -19.833 51.702 -6.526 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -27.890 47.110 -21.508 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -28.523 47.748 -21.115 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -27.257 46.927 -20.787 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -24.309 50.089 -7.833 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -23.880 50.179 -8.719 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -23.792 50.695 -7.256 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -21.736 50.258 -24.229 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -22.521 50.845 -24.216 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -21.365 50.384 -25.115 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -28.823 48.151 -5.894 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -28.245 48.403 -5.136 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -28.306 48.398 -6.676 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -18.049 48.735 -21.643 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -18.404 48.600 -22.545 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -17.237 48.193 -21.621 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -30.924 43.071 -6.774 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -30.159 43.139 -6.161 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -31.493 42.396 -6.365 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -30.650 50.754 -22.802 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -30.650 51.716 -22.573 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -31.545 50.589 -23.121 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -28.861 53.552 -17.972 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -29.557 54.113 -17.621 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -28.567 53.021 -17.195 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -16.929 51.185 -10.556 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -17.446 50.741 -9.846 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -16.506 51.947 -10.106 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -12.649 44.833 -7.821 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -13.522 45.257 -7.678 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -12.598 44.148 -7.122 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -15.310 52.083 -17.686 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -14.847 51.594 -16.972 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -15.120 53.006 -17.499 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -14.114 50.659 -15.656 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -14.943 50.374 -15.216 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -13.749 49.841 -16.018 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -13.397 53.170 -10.758 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -12.549 52.959 -10.358 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -13.287 52.914 -11.703 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -15.763 53.408 -9.454 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -16.116 54.223 -9.828 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -14.865 53.327 -9.860 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -19.035 45.433 -22.653 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -18.533 46.209 -22.953 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -18.406 44.684 -22.776 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -15.084 44.672 -11.595 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -14.151 44.692 -11.292 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -15.454 45.515 -11.271 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -21.138 46.791 -21.515 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -20.686 47.028 -20.668 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -20.461 46.280 -22.009 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -18.585 42.322 -19.503 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -18.325 41.660 -20.181 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -18.210 43.150 -19.828 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -30.402 40.072 -7.686 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -29.726 40.757 -7.621 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -30.993 40.386 -8.413 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -18.895 39.095 -17.146 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -19.199 39.132 -18.071 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -18.560 38.180 -17.042 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -31.392 41.308 -13.555 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -30.527 41.072 -13.947 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -31.251 42.208 -13.190 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -29.087 44.437 -10.315 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -28.419 45.062 -10.668 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -28.729 44.188 -9.430 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -15.851 48.091 -19.135 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -16.309 48.956 -19.188 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -15.828 47.775 -20.060 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -27.045 38.860 -9.046 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -26.557 38.590 -8.239 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -26.898 39.808 -9.104 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -24.244 53.088 -11.231 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -24.397 53.626 -12.036 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -23.319 53.318 -10.963 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -18.331 55.378 -14.471 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -18.092 56.297 -14.599 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -18.855 55.151 -15.274 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -29.295 52.007 -10.232 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -29.201 52.096 -9.267 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -28.381 52.102 -10.570 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -27.070 53.127 -13.286 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -26.308 53.723 -13.440 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -26.890 52.734 -12.406 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -24.676 54.573 -13.552 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -24.174 54.111 -14.269 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -24.435 55.500 -13.658 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -19.203 40.744 -15.044 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -18.969 40.083 -15.736 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -18.979 40.291 -14.206 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -16.954 40.757 -11.923 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -17.312 40.025 -12.460 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -16.225 41.120 -12.466 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -28.626 43.203 -5.270 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -28.093 42.661 -4.655 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -28.248 44.105 -5.181 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -26.417 39.649 -5.098 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -26.487 39.215 -4.218 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -26.171 38.928 -5.701 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -19.524 53.671 -8.882 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -19.782 52.857 -8.396 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -19.276 53.346 -9.773 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -20.600 43.205 1.704 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -20.044 44.006 1.603 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -20.247 42.770 2.510 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -22.429 44.050 5.936 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -21.864 43.427 6.440 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -21.803 44.645 5.511 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -13.820 38.698 7.773 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -14.688 39.134 7.642 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -13.360 38.816 6.919 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -20.899 42.100 7.153 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -20.580 41.386 6.560 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -20.362 42.001 7.949 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -26.679 39.828 2.596 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -26.193 40.349 3.264 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -26.362 38.911 2.732 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -25.111 43.714 5.464 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -25.532 44.496 5.830 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -24.149 43.867 5.609 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -26.081 37.344 3.533 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -26.782 37.536 4.192 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -26.160 36.381 3.376 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -19.387 39.713 1.899 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -18.817 39.020 2.279 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -19.414 40.403 2.592 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -16.476 39.587 7.373 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -17.322 39.650 7.855 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -16.542 38.724 6.888 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -24.857 38.339 7.125 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -24.619 37.448 6.768 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -24.332 38.958 6.581 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -23.212 45.666 -2.068 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -23.749 45.075 -2.641 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -22.383 45.173 -1.922 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -20.115 42.480 -1.314 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -20.342 43.279 -1.841 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -19.265 42.701 -0.911 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -18.626 49.081 -0.719 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -18.606 49.715 -1.459 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -19.473 49.241 -0.297 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -20.473 44.912 -2.536 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -19.531 45.159 -2.369 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -20.777 45.579 -3.181 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -16.606 52.263 -7.039 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -16.016 51.486 -7.116 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -16.358 52.824 -7.802 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -23.580 38.014 4.443 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -23.181 38.728 3.915 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -24.407 37.792 3.964 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -22.422 35.676 9.848 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -21.647 35.798 9.256 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -22.980 36.459 9.675 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -25.101 41.110 4.673 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -25.269 42.071 4.826 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -24.556 40.842 5.443 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -19.496 41.755 3.739 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -18.631 42.218 3.739 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -19.480 41.209 4.555 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -23.478 35.543 0.565 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -22.690 35.882 1.016 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -23.793 34.830 1.152 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -22.691 40.508 3.463 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -23.578 40.784 3.776 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -22.096 40.760 4.183 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -19.926 39.938 5.744 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -19.449 39.657 6.552 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -20.205 39.091 5.325 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -24.710 44.161 -3.867 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -24.008 43.562 -4.214 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -25.493 43.577 -3.774 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -23.175 40.581 6.589 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -22.708 41.392 6.865 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -22.657 39.858 7.005 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -27.501 34.228 0.587 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -27.170 34.881 -0.047 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -28.442 34.466 0.708 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -24.995 47.746 -2.274 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -24.339 47.019 -2.220 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -25.298 47.855 -1.368 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -22.010 51.187 -3.865 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -21.098 51.203 -3.507 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -22.486 50.596 -3.274 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -14.720 45.588 -0.258 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -14.399 45.990 -1.095 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -15.602 46.003 -0.118 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -19.341 50.858 -3.083 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -19.024 51.504 -3.752 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -19.326 49.996 -3.557 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -17.946 45.861 -2.435 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -17.463 46.421 -3.072 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -17.621 46.160 -1.562 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -22.869 51.883 -6.320 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -22.577 51.612 -5.413 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -23.122 52.806 -6.220 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -19.113 39.394 8.328 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -18.718 38.577 8.708 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -20.080 39.251 8.405 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -26.435 38.838 -2.437 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -26.863 39.160 -1.614 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -25.906 38.063 -2.144 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -16.356 44.540 5.370 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -15.797 45.070 5.986 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -16.318 43.632 5.739 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -27.583 45.727 -5.397 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -28.124 46.511 -5.616 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -26.964 46.048 -4.726 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -28.050 38.185 5.218 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -28.274 38.872 4.571 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -27.858 38.684 6.044 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.701 52.403 -5.294 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -18.985 53.335 -5.436 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -17.893 52.315 -5.853 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -25.509 47.838 -6.849 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -26.184 47.656 -7.532 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -24.970 48.568 -7.233 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -19.452 48.521 -4.382 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -19.324 48.502 -5.353 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -20.233 47.938 -4.230 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -21.664 46.955 -4.022 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -22.225 46.917 -3.228 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -22.268 46.680 -4.753 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -23.693 46.151 -5.609 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -24.207 45.498 -5.099 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -24.372 46.693 -6.062 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -16.838 47.745 -4.176 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -16.390 48.626 -4.183 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -17.796 47.968 -4.185 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -28.951 35.330 9.261 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -29.435 34.918 10.012 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -28.120 34.814 9.207 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -23.987 37.933 9.637 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -24.375 37.964 8.730 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -24.528 38.589 10.147 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -22.105 35.576 12.547 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -21.217 35.244 12.817 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.102 35.495 11.561 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -24.533 36.883 12.239 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -24.429 37.243 11.339 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -23.689 36.414 12.408 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -17.203 46.796 0.011 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -17.663 47.655 -0.129 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -17.789 46.305 0.627 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -17.756 46.485 3.975 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -17.283 45.811 4.508 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -17.397 47.322 4.280 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -13.645 46.673 -2.585 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -14.012 46.680 -3.496 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -13.358 47.583 -2.441 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -18.548 45.095 1.774 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -18.023 44.315 2.056 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -18.439 45.731 2.517 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -15.907 41.889 5.999 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -16.013 41.446 5.131 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -16.096 41.177 6.651 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -17.189 43.131 3.140 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -16.760 43.661 3.844 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -16.657 42.308 3.099 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -33.761 41.167 -0.285 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -33.219 40.881 -1.046 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -34.571 41.542 -0.694 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -14.685 38.591 4.461 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -13.773 38.487 4.804 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -15.237 38.074 5.083 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -17.876 38.389 3.903 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.784 38.052 4.062 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -17.345 37.986 4.629 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -27.592 39.875 -0.103 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -27.274 39.925 0.822 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -28.569 39.917 -0.023 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -31.941 40.657 -5.492 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -31.259 40.317 -6.108 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -32.756 40.253 -5.799 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -24.777 36.713 -1.698 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -24.369 36.330 -0.894 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -24.285 36.303 -2.433 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -20.314 37.419 4.618 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -20.962 37.051 3.978 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -20.039 36.638 5.152 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -26.555 42.007 -3.729 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -26.469 41.269 -4.380 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -26.650 41.557 -2.878 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -27.308 39.337 7.588 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -27.164 40.268 7.805 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -26.397 38.969 7.486 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -27.965 37.950 9.946 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -27.958 38.388 9.073 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -28.426 37.107 9.786 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -21.798 38.732 8.115 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -22.516 38.566 8.756 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -21.385 37.849 7.983 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 1.232 -6.577 2.467 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 2.127 -6.832 2.786 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 1.399 -6.162 1.596 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -1.137 -6.055 3.568 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -1.686 -6.831 3.412 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -0.233 -6.336 3.271 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 3.832 -6.818 3.268 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 4.642 -6.582 2.770 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 4.124 -7.548 3.862 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -5.194 -3.453 3.710 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -5.348 -4.235 3.165 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -4.796 -2.798 3.087 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -0.253 -3.717 2.306 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -0.761 -4.494 2.622 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 0.210 -4.043 1.513 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 1.211 -4.015 4.655 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 0.454 -4.177 5.261 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 0.796 -3.930 3.776 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 4.008 -3.684 10.753 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 4.461 -4.538 10.946 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 3.130 -3.952 10.419 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 5.153 -6.083 11.175 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 4.848 -6.784 10.543 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 5.400 -6.574 11.967 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -6.975 -1.838 5.111 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -7.686 -1.633 4.491 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -6.360 -2.401 4.595 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -3.678 -1.610 7.237 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -3.728 -1.095 6.397 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -3.395 -2.499 6.952 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 5.878 -1.314 -2.291 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 6.033 -1.050 -3.201 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 5.202 -0.680 -1.968 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -6.803 -2.582 10.068 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -7.490 -3.235 10.229 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -6.524 -2.752 9.139 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -4.051 2.453 0.155 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -4.547 1.651 0.431 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -4.219 2.518 -0.792 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -1.293 2.443 -0.103 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -2.247 2.559 0.081 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -0.902 3.320 0.095 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -1.100 -1.272 3.630 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -0.918 -2.176 3.314 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -0.795 -0.695 2.891 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 3.349 1.729 13.113 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 2.958 2.607 12.894 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 2.605 1.120 13.061 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 2.643 -5.910 6.146 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 2.249 -5.429 6.904 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 2.261 -5.467 5.365 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -6.085 -2.927 7.478 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -5.308 -2.333 7.507 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -6.592 -2.617 6.698 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 1.189 -3.791 10.581 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 0.475 -4.269 11.027 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 1.440 -3.091 11.219 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 2.071 -1.488 2.528 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 1.236 -1.546 2.030 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 2.471 -2.381 2.436 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -1.110 -4.617 5.942 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -2.047 -4.423 6.161 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -1.169 -5.246 5.193 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -5.676 0.265 0.604 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -6.195 0.609 1.379 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -6.350 -0.011 -0.026 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -4.204 -1.587 1.989 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -3.342 -1.551 1.555 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -4.760 -0.968 1.467 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -2.897 -0.293 9.559 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -3.263 -0.788 8.798 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -3.280 -0.740 10.343 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -7.067 1.193 2.694 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -7.227 1.094 3.658 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -7.361 2.113 2.500 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -3.821 -4.124 6.049 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -4.210 -3.892 5.179 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -4.594 -4.260 6.625 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 3.986 0.473 -1.409 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 3.425 0.140 -0.696 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 3.364 0.959 -1.994 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 3.643 -3.757 2.570 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 3.963 -4.161 1.729 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 3.127 -4.467 2.989 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -0.235 0.163 1.487 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 0.061 0.060 0.554 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -0.625 1.055 1.509 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -2.433 -2.938 13.388 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -1.641 -3.516 13.338 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -2.504 -2.718 14.321 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 1.373 -4.230 7.871 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 1.250 -4.075 8.836 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 0.466 -4.297 7.522 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -0.169 -4.526 13.672 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 0.672 -4.209 14.065 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -0.281 -5.410 14.038 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 4.447 -5.075 0.338 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 5.006 -4.606 -0.333 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 5.088 -5.627 0.833 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 1.729 -5.057 0.248 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 2.716 -5.096 0.252 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 1.497 -5.100 -0.687 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 3.865 -3.180 7.058 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 3.007 -3.540 7.360 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 4.190 -3.843 6.408 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 4.328 -8.108 9.592 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 3.914 -8.898 10.001 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 4.078 -8.174 8.646 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 7.814 -11.999 6.686 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 7.108 -11.800 6.043 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 8.018 -11.124 7.091 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 3.322 -8.369 7.035 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 3.135 -7.463 6.688 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 2.486 -8.836 6.934 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 1.923 -1.425 5.247 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 1.763 -2.390 5.300 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 2.022 -1.256 4.287 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -7.807 2.684 7.557 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -8.475 2.958 8.222 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -7.733 3.467 6.954 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -6.222 0.104 10.383 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -5.418 -0.071 10.904 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -6.581 -0.791 10.197 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -1.672 4.629 10.447 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -1.640 5.069 11.314 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -1.429 3.698 10.640 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -12.718 3.270 8.948 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -13.498 2.708 8.967 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -12.944 4.017 9.547 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -9.944 3.090 9.291 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -10.857 2.926 8.977 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -10.052 3.792 9.968 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -11.865 4.124 6.491 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -12.201 3.824 7.357 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -11.313 3.375 6.177 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -10.169 2.004 6.049 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -9.583 2.118 6.811 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -9.600 1.611 5.372 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -7.516 0.891 5.369 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -7.197 0.003 5.610 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -7.439 1.407 6.195 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 0.443 0.593 -1.110 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -0.223 1.281 -0.892 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 0.975 0.995 -1.825 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 3.624 0.579 1.781 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 3.104 1.394 1.773 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 2.987 -0.109 2.085 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 3.408 -1.095 18.562 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 3.672 -1.113 19.497 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 4.050 -0.493 18.148 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 2.194 -3.701 14.911 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 3.026 -4.126 15.151 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 1.902 -3.257 15.747 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 5.389 1.030 18.463 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 6.368 1.058 18.361 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 5.073 1.790 17.940 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -4.141 -1.618 11.592 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -4.837 -2.266 11.408 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -3.531 -2.087 12.205 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 2.440 -2.255 12.534 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 3.175 -2.795 12.186 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 2.292 -2.605 13.437 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 3.119 -10.397 10.545 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 3.548 -11.242 10.373 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 2.343 -10.625 11.067 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -6.254 6.023 16.948 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -7.202 6.210 16.811 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -6.247 5.216 17.505 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -6.503 3.933 18.731 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -6.855 4.435 19.500 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -7.161 3.246 18.576 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -13.221 1.826 18.012 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -13.901 1.366 18.513 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -13.659 2.646 17.705 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -10.381 12.167 -7.606 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -10.857 11.427 -8.045 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -10.424 12.901 -8.261 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -5.108 16.839 -2.508 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -5.888 17.370 -2.302 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -4.549 17.438 -3.069 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -16.323 11.545 -9.152 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -16.471 12.226 -8.448 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -16.274 10.700 -8.657 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -9.459 18.734 -3.144 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -9.572 18.995 -2.205 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -9.995 17.938 -3.233 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -13.643 15.653 -9.069 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -14.019 14.752 -9.170 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -12.974 15.550 -8.377 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -3.474 18.632 -3.701 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -2.549 18.564 -3.397 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -3.467 19.402 -4.297 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -11.149 14.116 -9.467 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -11.183 15.016 -9.839 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -12.023 13.737 -9.677 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -0.346 21.664 -6.789 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -0.438 22.426 -7.385 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 0.268 21.065 -7.262 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -13.903 12.983 -9.373 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -14.690 12.406 -9.428 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -13.625 12.922 -8.432 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -18.627 11.053 -6.554 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -19.119 11.664 -5.972 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -17.681 11.324 -6.439 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -4.225 20.212 -9.578 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -3.372 19.775 -9.688 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -4.035 20.963 -8.987 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 1.537 20.378 -8.306 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 0.948 20.696 -9.022 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 2.294 21.006 -8.326 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -9.304 18.785 -9.779 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -8.350 18.736 -9.525 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -9.716 19.281 -9.054 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -1.985 19.341 -0.661 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -2.437 18.473 -0.569 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -1.461 19.249 -1.486 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -15.653 12.286 -2.018 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -16.495 11.925 -1.679 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -15.053 11.521 -2.021 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -12.873 13.236 -6.853 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -11.959 12.891 -6.869 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -13.279 12.803 -6.093 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -10.681 6.576 -8.446 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -9.910 6.000 -8.393 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -10.578 7.188 -7.679 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -13.891 17.753 -13.667 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -13.999 16.955 -13.090 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -13.539 17.402 -14.491 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -12.849 18.638 -11.184 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -12.195 17.935 -10.983 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -13.184 18.403 -12.073 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -11.859 9.916 -8.188 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -12.778 9.803 -7.872 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -11.333 9.347 -7.590 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -10.686 8.286 -6.323 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -10.111 9.002 -5.956 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -11.356 8.148 -5.640 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -12.087 8.156 -10.332 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -11.503 7.514 -9.887 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -11.990 8.971 -9.803 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -9.386 10.548 -5.582 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -8.710 11.032 -5.102 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -9.667 11.167 -6.293 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -9.500 20.759 -7.583 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -9.410 20.691 -6.608 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -8.585 20.847 -7.897 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -2.069 20.865 -4.863 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -1.528 20.988 -5.674 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -2.356 21.780 -4.630 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -2.866 24.111 -7.221 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -3.665 23.617 -7.509 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -2.811 23.930 -6.252 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -11.115 24.206 -7.234 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -11.314 24.765 -6.475 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -10.298 24.605 -7.615 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -8.717 20.734 -4.893 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -8.376 21.437 -4.313 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -8.967 20.006 -4.271 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -2.325 23.616 -10.030 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -3.035 23.953 -10.605 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -2.566 23.929 -9.140 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 0.033 22.197 -9.758 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 0.708 22.896 -9.866 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -0.817 22.652 -9.948 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -10.828 16.750 -10.755 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -10.274 17.463 -10.357 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -10.267 16.371 -11.438 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -6.761 19.199 -8.976 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -5.844 19.240 -9.305 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -6.737 19.722 -8.147 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 2.777 20.000 -5.818 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 3.537 20.515 -6.113 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 2.234 19.894 -6.625 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 1.288 13.034 1.374 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 1.705 13.695 1.969 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 0.763 13.580 0.742 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -10.430 8.798 7.607 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -9.956 8.843 8.474 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -11.350 8.644 7.850 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 5.336 16.623 3.566 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 4.446 17.044 3.561 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 5.553 16.521 2.634 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -11.362 13.334 2.011 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -11.440 13.716 1.125 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -11.878 13.937 2.576 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -10.359 10.769 2.428 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -10.379 10.625 3.395 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -10.759 11.657 2.306 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -2.670 19.019 3.927 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -3.269 18.532 3.322 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -2.240 19.679 3.350 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -4.092 11.867 5.840 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -4.527 12.650 5.428 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -4.838 11.292 6.105 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -7.947 8.126 6.600 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -7.605 7.633 7.383 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -8.890 8.287 6.814 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -7.819 4.880 6.010 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -7.140 5.412 5.543 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -8.658 5.286 5.742 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -2.859 14.158 -0.464 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -3.052 13.419 0.152 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -3.566 14.094 -1.137 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 2.274 14.961 3.109 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 2.242 14.728 4.058 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 2.362 15.929 3.106 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 1.639 19.439 1.509 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 0.754 19.148 1.257 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 2.163 19.361 0.678 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -0.123 14.557 -0.397 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -1.085 14.367 -0.426 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -0.014 15.306 -0.990 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 1.469 12.421 6.881 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 1.189 12.082 6.008 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 1.819 13.316 6.682 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -3.846 11.901 0.771 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -4.071 11.572 -0.133 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -3.319 11.189 1.159 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 2.007 10.661 0.213 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 1.949 10.850 -0.730 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 1.656 11.479 0.643 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -5.945 9.969 6.632 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -6.687 9.325 6.585 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -5.154 9.438 6.378 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -8.109 11.728 6.121 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -7.299 11.188 6.221 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -8.250 12.105 7.016 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -5.563 13.926 4.720 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -6.432 13.787 4.297 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -5.421 14.894 4.669 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -4.080 17.741 1.991 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -3.619 17.340 1.229 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -4.885 18.143 1.596 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 2.132 1.932 -2.849 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 1.881 2.243 -3.725 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 2.535 2.725 -2.416 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -5.811 11.188 2.646 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -5.281 11.688 1.993 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -6.431 11.854 3.010 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -14.768 18.451 7.363 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -15.146 17.615 7.028 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -15.543 19.027 7.508 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -6.740 16.477 11.636 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -6.116 16.526 12.400 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -7.461 17.064 11.883 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -2.316 22.130 -0.579 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -2.329 21.173 -0.790 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -2.229 22.567 -1.449 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -1.917 20.647 1.796 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -1.983 19.947 1.116 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -2.011 21.471 1.290 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -6.793 8.532 2.340 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -6.480 9.453 2.467 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -7.717 8.631 2.075 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -0.508 7.738 4.189 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -1.236 7.654 3.542 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 0.305 7.698 3.642 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -9.150 8.767 9.995 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -8.506 9.424 10.304 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -8.942 7.959 10.517 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -7.877 12.858 3.598 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -8.049 12.467 4.485 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -8.699 12.712 3.111 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -6.468 6.886 4.626 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -7.005 7.403 5.260 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -6.544 7.382 3.789 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -7.705 3.784 2.179 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -8.241 4.449 1.706 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -6.783 4.109 2.086 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -2.691 7.638 2.545 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -3.377 7.464 1.857 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -2.853 8.569 2.809 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 2.753 5.229 0.790 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 3.051 5.282 1.722 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 2.555 6.162 0.548 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 1.935 7.822 0.332 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 1.802 7.801 1.305 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 1.975 8.772 0.120 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -10.279 10.247 5.226 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -9.523 10.828 5.462 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -10.356 9.638 5.994 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -4.436 11.481 -1.850 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -4.587 10.985 -2.662 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -4.654 12.408 -2.089 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -18.975 11.995 10.011 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -18.680 11.606 9.165 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -19.950 12.017 9.931 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -6.220 14.092 10.429 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -6.492 14.950 10.838 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -5.658 14.352 9.687 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 4.429 15.034 8.411 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 3.953 15.833 8.110 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 4.927 14.747 7.629 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 2.734 18.971 -0.971 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 3.385 18.397 -1.384 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 2.326 19.452 -1.726 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -10.414 8.299 1.179 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -10.323 9.204 1.556 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -11.181 8.374 0.561 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -3.422 10.134 3.541 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -3.201 10.770 4.247 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -4.318 10.404 3.251 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -4.930 16.634 4.579 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -5.197 17.300 3.922 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -3.964 16.617 4.517 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -2.723 11.498 8.299 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -2.556 12.425 8.586 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -3.165 11.594 7.428 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -0.896 15.973 10.518 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -0.442 16.669 10.012 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -0.220 15.664 11.169 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 1.793 20.147 -3.275 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 2.226 19.911 -4.129 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 1.399 21.030 -3.449 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -8.471 6.409 11.174 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -9.345 5.959 11.186 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -7.826 5.678 11.327 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -5.133 14.122 -2.037 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -5.088 15.036 -2.402 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -5.941 14.118 -1.511 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -12.735 8.398 -0.291 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -13.406 7.817 0.117 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -13.240 8.909 -0.958 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -0.968 3.262 2.899 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -0.630 3.727 2.105 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -1.779 3.760 3.139 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -3.843 8.494 5.728 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -3.642 8.838 4.837 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -3.955 7.531 5.594 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -3.050 5.033 3.480 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -3.437 5.246 4.352 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -2.809 5.910 3.108 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -12.545 7.193 2.747 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -12.273 6.836 3.620 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -11.718 7.528 2.358 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 2.862 17.804 3.530 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 2.488 18.270 2.754 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 2.710 18.429 4.273 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -11.667 6.520 5.245 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -10.804 6.313 4.827 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -11.884 5.703 5.755 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -2.199 14.090 8.951 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -1.782 14.674 9.620 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -2.137 14.593 8.130 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -0.807 19.159 -3.116 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 0.156 19.334 -3.140 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -1.182 19.794 -3.770 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -9.365 5.748 1.049 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -10.006 5.337 0.460 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -9.578 6.707 1.003 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -3.158 16.878 -0.519 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -3.846 16.878 -1.216 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -2.960 15.926 -0.380 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -4.833 7.078 1.029 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -5.593 7.567 1.405 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -5.071 6.137 1.151 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 0.175 4.974 14.352 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -0.393 5.589 13.855 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -0.455 4.407 14.838 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -10.348 4.990 13.950 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -10.349 4.208 14.535 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -9.864 5.658 14.450 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -5.631 2.656 9.273 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -5.651 1.741 9.609 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -6.313 2.668 8.572 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -5.299 6.476 14.367 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -4.783 5.710 14.033 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -5.677 6.157 15.215 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 0.608 11.755 12.424 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 0.010 12.161 13.077 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 1.434 12.271 12.510 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 2.057 9.487 5.505 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 1.534 10.135 4.993 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 2.827 9.983 5.794 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 1.219 11.734 4.176 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 1.945 11.376 3.620 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 0.713 12.293 3.567 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 2.605 14.689 5.872 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 2.543 15.538 6.358 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 3.562 14.483 5.878 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 1.937 7.684 3.003 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 2.479 6.927 3.319 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 2.369 8.468 3.394 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -14.968 11.291 5.295 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -14.203 10.673 5.189 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -14.565 12.189 5.212 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 1.801 11.643 9.482 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 1.055 12.089 9.909 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 1.694 11.858 8.523 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 1.303 3.553 4.372 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 0.548 3.322 3.788 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 0.958 4.283 4.928 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -10.774 4.926 11.260 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -10.693 4.888 12.245 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -11.732 5.064 11.105 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 5.398 1.526 14.909 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 4.929 1.862 15.697 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 4.689 1.435 14.233 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 3.221 5.356 3.614 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 2.580 4.641 3.817 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 3.822 5.362 4.386 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -12.945 9.503 5.010 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -12.036 9.866 5.000 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -12.814 8.540 4.979 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -14.953 9.990 1.765 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -14.631 10.072 2.675 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -14.184 10.213 1.220 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 1.112 21.938 2.733 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 1.239 21.088 2.259 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 2.017 22.246 2.910 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -13.515 5.295 10.667 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -13.808 6.146 10.288 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -14.141 5.137 11.411 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -7.875 12.334 8.876 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -7.470 13.073 9.358 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -7.693 11.562 9.431 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -4.973 16.516 13.701 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -4.077 16.428 13.310 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -4.802 16.743 14.636 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -3.756 20.466 8.565 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -4.532 19.897 8.792 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -3.286 19.961 7.875 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -1.178 23.116 6.523 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -0.639 23.111 7.325 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -0.786 22.406 5.968 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -1.823 19.452 6.501 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -2.319 19.119 5.720 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -1.147 20.040 6.113 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 3.116 17.102 7.065 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 2.736 17.861 7.555 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 3.517 17.506 6.283 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -9.487 5.608 3.832 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -9.498 5.833 2.883 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -8.921 4.820 3.878 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -3.563 -0.577 4.764 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -4.173 -0.505 4.018 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -2.721 -0.870 4.357 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -0.014 4.733 0.742 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -0.255 5.665 0.642 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 0.965 4.736 0.703 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -5.089 4.437 1.717 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -4.403 4.595 2.399 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -4.702 3.738 1.149 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 4.363 22.304 1.964 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 5.081 22.926 1.810 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 3.842 22.328 1.132 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -6.952 4.184 11.165 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -7.500 3.398 11.344 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -6.260 3.855 10.558 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -8.321 1.800 11.161 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -7.650 1.200 10.770 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -8.915 2.021 10.412 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -0.417 2.171 10.310 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -0.114 1.712 11.101 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 0.409 2.358 9.808 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -2.437 16.406 12.766 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -1.952 16.118 11.963 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -2.400 17.386 12.726 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -12.851 6.721 20.872 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -12.306 7.476 21.182 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -12.926 6.139 21.660 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -11.413 12.372 23.245 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -10.864 13.148 23.014 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -11.336 12.305 24.200 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -10.611 5.186 20.215 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -10.731 4.589 19.438 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -11.441 5.702 20.247 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -5.734 12.604 25.126 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -5.802 11.964 25.842 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -5.032 13.203 25.407 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -7.988 7.755 21.842 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -8.581 7.302 22.470 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -7.687 7.042 21.249 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -0.879 12.635 19.664 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -1.375 13.371 19.242 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -0.508 13.026 20.460 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -1.590 10.334 18.412 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -2.432 10.168 18.909 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -1.163 11.074 18.910 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 2.132 9.954 14.766 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 2.691 10.511 15.317 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 1.221 10.206 15.019 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -6.822 10.237 21.763 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -5.910 9.994 21.965 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -7.307 9.376 21.771 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -0.398 10.655 15.773 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -0.885 9.954 15.298 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -0.688 10.560 16.702 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -10.991 19.872 21.119 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -11.685 19.867 21.823 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -11.370 20.424 20.419 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 0.533 14.872 12.576 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 0.080 14.414 13.311 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 1.433 14.497 12.584 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -1.797 6.507 12.674 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -2.337 6.856 11.931 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -1.722 7.265 13.293 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -4.083 10.003 19.350 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -4.824 10.633 19.391 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -4.391 9.311 18.726 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -1.739 7.812 17.303 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -1.620 8.658 17.786 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -1.182 7.186 17.780 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -12.656 4.981 23.055 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -12.050 4.208 22.958 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -13.333 4.674 23.668 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -14.095 6.700 18.422 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -14.737 7.416 18.547 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -13.608 6.666 19.271 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -7.925 5.107 20.789 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -7.984 4.578 21.609 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -8.853 5.159 20.470 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -11.118 3.598 18.034 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -11.708 2.821 18.151 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -10.607 3.391 17.224 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -10.105 6.196 22.788 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -10.178 5.743 21.923 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -10.860 5.851 23.298 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -5.611 11.711 16.829 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -6.360 11.639 16.204 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -6.037 11.772 17.709 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -3.479 4.540 13.698 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -2.854 5.190 13.327 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -2.947 4.040 14.350 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -1.935 8.522 14.650 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -1.777 8.102 15.524 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -2.893 8.726 14.655 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -7.507 12.647 23.045 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -7.386 11.782 22.605 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -6.856 12.634 23.782 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -2.967 12.250 16.855 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -2.529 11.590 17.422 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -3.919 11.988 16.870 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 5.639 10.185 14.275 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 5.880 11.001 14.726 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 5.417 10.472 13.360 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -9.507 18.058 19.661 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -9.539 17.186 20.109 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -10.012 18.653 20.257 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -6.305 11.777 19.540 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -6.286 12.639 19.969 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -6.671 11.178 20.225 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -9.548 15.474 20.554 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -9.781 15.168 21.457 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -8.887 14.841 20.257 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -0.535 13.198 14.547 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -0.466 12.443 15.168 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -1.100 13.847 15.020 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 2.580 7.011 11.889 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 2.488 7.943 11.615 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 3.073 7.062 12.726 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -9.877 15.339 17.711 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -10.087 15.394 18.659 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -9.452 16.192 17.512 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -1.950 3.291 15.631 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -2.716 3.375 16.252 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -1.683 2.369 15.713 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -2.510 14.477 18.425 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -2.590 13.852 17.674 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -3.393 14.844 18.520 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -4.546 8.149 17.369 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -3.632 7.808 17.333 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -5.107 7.341 17.315 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -5.928 3.283 14.953 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -5.369 3.559 14.209 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -6.735 2.940 14.531 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -4.111 17.112 16.295 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -4.964 17.579 16.472 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -3.504 17.478 16.949 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -2.485 15.032 15.176 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -2.998 15.654 15.725 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -2.344 15.518 14.336 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 2.844 13.388 12.714 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 3.325 13.360 11.853 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 3.492 13.738 13.334 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 2.499 9.819 11.433 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 2.245 10.390 10.676 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 1.978 10.172 12.181 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -9.128 17.958 17.015 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -9.236 18.094 17.990 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -9.979 18.228 16.643 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -12.778 20.318 23.121 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -13.660 20.123 23.502 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -12.551 21.180 23.485 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 3.806 7.846 14.283 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 4.584 8.417 14.404 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 3.044 8.456 14.415 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 3.092 5.292 15.461 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 2.197 5.219 15.090 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 3.397 6.175 15.175 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 2.096 4.122 12.566 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 2.335 4.966 12.141 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 1.391 4.369 13.201 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 3.881 2.939 16.804 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 3.088 2.802 17.334 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 3.703 3.778 16.320 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -10.766 3.030 23.000 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -9.809 3.228 22.967 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -10.815 2.077 22.879 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -9.542 14.411 23.084 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -9.357 14.965 23.850 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -8.787 13.770 23.060 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -8.015 3.462 23.082 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -7.280 2.846 22.962 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -7.861 3.851 23.954 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -10.137 2.737 15.550 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -9.332 2.457 15.055 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -10.782 2.045 15.361 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -4.251 3.269 17.116 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -4.865 3.258 16.347 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -4.830 3.460 17.877 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -8.163 1.768 13.877 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -8.309 1.867 12.906 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -7.708 0.923 13.962 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -4.653 9.015 14.737 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -4.886 8.064 14.587 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -4.741 9.130 15.708 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -0.738 26.066 -16.120 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 0.104 25.954 -16.568 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -0.493 26.192 -15.173 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -0.365 26.423 -13.455 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -1.318 26.369 -13.241 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 0.037 26.812 -12.652 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -13.378 26.819 -9.475 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -13.310 26.659 -10.444 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -12.676 27.453 -9.292 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -4.312 27.662 -11.197 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -3.731 27.431 -10.461 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -3.875 27.257 -11.983 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -6.549 25.281 -13.465 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -7.195 24.677 -13.854 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -6.282 25.864 -14.212 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -13.005 26.420 -12.185 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -12.586 25.535 -12.037 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -13.681 26.249 -12.851 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -7.008 27.028 -11.398 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -6.980 26.270 -12.016 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -6.066 27.260 -11.262 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -12.122 21.637 -7.381 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -11.809 22.551 -7.221 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -11.301 21.109 -7.411 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -12.156 23.865 -11.720 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -11.359 23.578 -11.238 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -12.662 23.039 -11.851 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -3.992 35.564 -12.595 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -4.282 35.191 -11.743 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -3.160 35.083 -12.792 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 1.934 24.264 -9.908 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 1.635 25.042 -9.392 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 2.006 24.594 -10.811 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -6.699 20.693 -6.744 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -5.918 20.960 -6.200 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -7.399 20.516 -6.080 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -0.536 30.826 -8.356 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -1.480 31.107 -8.288 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -0.046 31.515 -7.854 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 3.298 31.711 -8.296 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 4.132 32.233 -8.277 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 3.037 31.715 -9.248 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -12.759 29.441 -12.501 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -11.808 29.558 -12.582 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -12.877 28.477 -12.440 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -7.059 34.260 -8.627 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -6.265 33.771 -8.312 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -7.108 34.048 -9.581 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -6.917 33.635 -11.297 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -5.985 33.840 -11.081 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -6.858 32.948 -11.975 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -13.122 35.332 -8.156 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -12.422 36.008 -8.251 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -12.970 34.721 -8.903 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 0.909 26.624 -8.732 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 0.657 26.952 -9.622 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 1.283 27.409 -8.288 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -5.800 22.139 -10.839 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -6.729 21.847 -11.016 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -5.320 21.306 -10.661 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -6.891 28.780 -13.533 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -6.543 28.151 -14.189 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -7.165 28.217 -12.782 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -3.382 25.654 -15.845 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -3.423 24.788 -16.267 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -2.456 25.960 -16.017 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -13.436 21.305 -11.552 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -14.138 21.055 -12.201 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -13.081 20.442 -11.253 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -5.781 26.967 -15.455 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -4.885 26.595 -15.627 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -5.975 27.489 -16.242 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -4.995 22.698 -8.241 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -5.369 22.706 -9.147 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -5.635 22.180 -7.724 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -5.125 30.195 -11.939 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -5.803 29.962 -12.606 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -4.834 29.330 -11.586 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -4.545 24.343 -11.782 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.279 24.717 -12.315 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -4.915 23.500 -11.432 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -1.879 33.698 -12.425 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -0.926 33.522 -12.406 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -2.278 32.880 -12.069 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -14.125 31.758 -11.725 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -13.933 32.483 -12.362 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -13.675 30.972 -12.109 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 1.024 32.671 -7.116 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 1.924 32.389 -7.396 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 0.950 33.580 -7.437 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -3.018 31.629 -11.030 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -3.091 31.608 -10.038 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -3.820 31.140 -11.343 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -11.112 35.373 -12.597 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -10.398 35.593 -13.241 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -11.153 36.165 -12.011 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -13.500 34.086 -13.080 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -14.019 34.889 -13.188 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -12.576 34.410 -12.991 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -2.870 36.075 -9.065 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -3.220 35.561 -9.809 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -3.000 37.015 -9.341 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -0.161 24.742 -6.988 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -1.131 24.674 -7.086 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 0.090 25.484 -7.577 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -0.827 29.981 -10.916 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -1.685 30.420 -11.085 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -0.609 30.235 -9.989 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -8.294 21.139 -11.065 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -9.118 21.643 -10.916 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -8.544 20.217 -10.881 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -4.345 33.949 -10.275 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -4.475 33.630 -9.349 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -3.732 33.294 -10.664 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -5.016 21.915 -5.091 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -5.666 22.333 -4.506 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -4.191 22.438 -4.946 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -18.432 38.795 -13.267 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -18.233 37.948 -13.733 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -19.046 38.539 -12.570 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -17.422 33.661 -13.874 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -16.474 33.503 -13.827 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -17.818 32.836 -13.533 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -2.538 33.986 -3.169 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -3.220 33.416 -2.714 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -2.079 33.362 -3.783 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 2.599 31.549 -10.904 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 1.891 31.827 -11.521 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 2.748 30.611 -11.119 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 0.396 31.817 -12.546 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 0.009 31.077 -12.032 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 0.265 31.563 -13.466 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -14.922 31.084 -9.154 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -14.743 31.359 -10.079 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -15.479 30.302 -9.242 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 1.839 29.363 -8.302 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 2.452 30.083 -8.033 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 0.951 29.776 -8.245 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 3.118 29.730 1.982 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 2.453 30.310 1.542 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 3.904 30.284 2.050 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 0.575 27.680 -11.213 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 1.486 28.051 -11.236 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -0.006 28.474 -11.180 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 2.995 28.789 -10.704 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 3.908 28.506 -10.583 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 2.663 28.938 -9.787 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 2.378 25.989 -4.297 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 1.492 25.942 -3.894 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 2.400 25.234 -4.919 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -13.624 24.183 -8.487 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -13.653 25.086 -8.862 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -12.694 24.071 -8.212 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -16.087 26.775 -9.019 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -16.319 27.468 -8.372 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -15.113 26.832 -9.096 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 2.165 23.791 -5.978 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 1.348 24.161 -6.388 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 1.829 23.187 -5.285 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -3.705 38.468 -9.999 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.061 39.266 -9.601 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -3.994 38.519 -10.939 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 3.248 22.478 -8.131 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 2.949 23.078 -8.841 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 3.061 22.974 -7.306 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -10.688 37.640 -11.157 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -10.462 38.153 -11.962 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -10.269 38.136 -10.433 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -9.411 38.764 -8.893 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -8.895 39.460 -8.422 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -8.862 37.959 -8.786 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.157 36.506 -14.157 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -6.070 36.145 -15.045 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -5.435 36.079 -13.651 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -4.596 38.308 -12.542 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.379 38.251 -13.108 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -4.194 37.421 -12.603 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -12.513 33.206 -9.864 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -13.124 32.789 -10.506 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -11.662 33.259 -10.341 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -9.828 33.863 -10.724 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -10.255 34.388 -11.438 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -8.887 33.833 -10.984 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -7.659 36.795 -7.849 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -7.410 35.891 -8.152 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -6.820 37.181 -7.548 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -3.094 26.189 -13.141 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -3.232 25.986 -14.091 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -3.471 25.410 -12.673 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -10.624 22.228 -10.070 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -11.500 21.815 -10.102 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -10.347 22.124 -9.146 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -1.730 34.273 -7.406 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -2.117 33.481 -7.833 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -1.971 35.013 -8.011 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -2.922 28.879 2.657 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -3.172 28.309 1.904 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -2.194 29.441 2.298 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -4.387 31.096 1.721 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -3.981 30.902 0.849 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -4.024 30.415 2.308 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -1.874 31.807 8.037 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -1.369 31.003 7.787 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -1.328 32.547 7.701 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -1.904 35.144 4.553 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -2.485 35.285 3.773 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -2.393 35.570 5.296 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 3.621 22.039 4.580 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 4.056 21.996 3.702 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 3.298 22.963 4.638 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -5.848 24.388 6.882 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -5.429 25.163 6.456 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -5.091 23.843 7.187 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 2.223 19.461 8.185 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 1.300 19.163 8.357 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 2.524 19.799 9.035 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -3.515 35.613 2.374 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -3.766 34.800 1.872 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -3.121 36.197 1.687 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -4.165 33.641 0.658 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -4.224 33.364 -0.279 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -4.367 32.823 1.160 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.492 27.439 0.374 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -4.356 27.728 0.043 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -2.855 27.757 -0.309 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -0.814 34.097 6.866 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -1.121 34.261 5.955 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -1.256 34.781 7.387 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -9.423 33.612 11.133 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -10.001 33.567 11.907 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -9.563 34.517 10.784 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -5.964 36.646 3.190 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -6.228 36.475 4.120 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -5.194 36.055 3.044 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -10.809 35.987 10.377 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -11.343 36.810 10.413 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -11.472 35.273 10.506 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 0.271 23.107 -0.848 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -0.158 23.440 -1.664 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -0.452 22.678 -0.364 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 1.001 34.215 1.032 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 0.223 34.641 0.649 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 0.913 34.376 1.999 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -7.415 31.704 11.581 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -7.279 31.853 12.523 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -8.045 32.405 11.316 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -6.286 37.975 -1.544 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -5.482 37.423 -1.668 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -6.121 38.456 -0.704 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -4.011 37.220 -4.958 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -4.374 36.663 -5.684 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -3.047 37.028 -4.974 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -4.076 36.479 -2.297 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -4.118 36.899 -3.186 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -3.669 35.612 -2.466 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -10.228 31.715 9.208 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -10.781 31.134 9.766 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -9.888 32.387 9.829 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -3.668 23.070 7.851 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -2.837 23.093 7.338 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -3.757 22.125 8.120 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -0.301 18.574 8.733 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -0.749 19.170 9.380 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -0.847 18.651 7.924 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -4.446 25.909 12.462 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -4.321 25.572 11.553 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -4.570 25.110 12.992 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -2.775 28.501 5.313 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -2.848 28.730 4.357 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -2.379 27.613 5.314 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 0.096 21.040 5.147 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 0.290 21.351 4.237 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 0.859 20.466 5.365 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -11.734 30.021 11.011 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -11.304 30.162 11.884 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -12.693 29.977 11.222 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -7.008 31.344 8.186 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -7.283 32.210 8.513 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -6.079 31.484 7.893 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -6.073 28.051 12.774 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -5.936 28.595 11.970 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -5.289 27.454 12.796 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -3.208 36.004 6.768 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -3.923 35.361 6.952 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -3.445 36.777 7.315 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -1.970 28.618 -1.587 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -1.450 28.922 -2.340 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -2.477 29.421 -1.305 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -0.905 34.898 -1.173 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -1.514 34.660 -1.909 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -0.050 35.019 -1.605 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -7.461 27.545 6.097 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -8.002 26.784 6.417 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -6.583 27.160 5.933 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.399 34.473 7.515 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -6.119 34.387 6.849 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -4.998 33.581 7.547 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -4.464 31.851 7.400 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -4.285 31.429 6.551 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -3.573 31.895 7.835 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -1.029 32.062 -0.758 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -1.057 33.035 -0.757 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -1.958 31.794 -0.959 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -9.950 33.704 6.657 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -10.273 33.426 7.525 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -10.308 34.614 6.547 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -4.649 24.214 10.253 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -4.926 23.468 10.811 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -4.269 23.792 9.455 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -6.812 25.457 9.175 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -6.077 25.130 9.736 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -6.589 25.120 8.278 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -4.652 26.598 5.850 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -3.781 26.152 5.804 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -4.428 27.548 5.828 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -15.432 36.803 10.751 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -15.477 35.822 10.649 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -15.605 36.951 11.686 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -1.656 35.841 -5.108 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -1.878 35.157 -4.449 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -1.599 35.352 -5.952 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -15.624 29.549 15.825 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -16.159 30.223 15.364 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -15.663 28.766 15.231 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -6.252 29.515 10.429 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -5.751 29.845 9.669 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -6.677 30.325 10.805 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -13.159 28.622 16.533 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -14.077 28.922 16.347 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -12.880 28.170 15.695 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -10.390 28.485 9.174 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -9.705 27.977 9.662 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -10.906 28.930 9.879 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -1.112 32.791 -5.176 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -0.246 32.417 -5.404 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -1.360 33.310 -5.968 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.598 25.750 12.518 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -6.963 26.478 12.691 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -8.043 26.019 11.693 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -8.138 27.486 10.342 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -7.498 28.232 10.380 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -7.654 26.781 9.850 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -13.513 27.141 11.991 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -13.720 28.010 11.602 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -13.353 26.560 11.213 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -6.379 18.079 6.465 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -6.461 18.754 5.760 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -5.883 17.355 6.038 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -5.971 23.471 12.731 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -6.421 23.159 13.528 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -6.517 24.224 12.430 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -1.692 20.181 10.359 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -2.047 19.768 11.169 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -2.490 20.433 9.848 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -5.751 18.668 9.037 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -6.070 17.933 9.571 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -6.071 18.463 8.127 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -2.645 19.173 12.760 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -3.537 19.511 12.922 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -2.099 19.611 13.425 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -11.533 37.680 -3.935 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -10.739 37.688 -4.502 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -11.223 37.304 -3.100 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 0.612 34.451 3.736 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 1.006 34.283 4.598 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -0.316 34.700 3.942 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -0.821 29.536 6.898 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -0.247 28.798 6.650 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -1.646 29.371 6.398 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 1.394 31.531 0.777 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 1.476 32.494 0.962 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 0.789 31.492 0.014 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 0.038 26.151 -2.594 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -0.368 25.272 -2.759 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -0.697 26.692 -2.270 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -1.048 30.310 1.387 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -1.360 30.845 0.628 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -0.234 30.762 1.673 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 0.563 22.392 -4.269 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 0.171 22.094 -5.119 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -0.177 22.861 -3.817 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -1.939 25.726 5.667 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -1.079 26.203 5.704 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.718 24.817 5.952 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 2.922 22.811 -0.339 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 3.302 22.759 -1.223 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 1.947 22.835 -0.499 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -2.566 36.783 0.109 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -3.183 36.881 -0.637 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -1.878 36.181 -0.231 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -12.856 34.230 10.831 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -13.824 34.163 10.712 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -12.676 33.679 11.624 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -7.434 34.212 5.731 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -7.483 35.183 5.590 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -8.353 33.958 5.956 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -12.988 35.973 7.987 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -13.484 36.813 7.980 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -12.990 35.704 8.917 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -7.348 36.921 5.560 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -7.102 37.487 6.320 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -8.104 37.391 5.148 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -4.899 37.166 8.588 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -5.253 36.269 8.468 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -5.649 37.751 8.374 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -10.836 36.244 6.396 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -11.693 36.172 6.882 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -10.997 36.938 5.733 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 2.565 19.726 5.488 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 3.016 20.557 5.192 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 2.561 19.792 6.468 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 2.135 24.815 1.427 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 2.646 25.648 1.268 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 2.478 24.193 0.753 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -6.260 39.469 0.800 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -5.543 39.440 1.478 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -7.036 39.093 1.259 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -13.854 24.705 18.747 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -13.204 24.386 19.405 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -14.556 24.038 18.772 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -12.138 26.038 17.146 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -12.502 26.938 17.082 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -12.808 25.546 17.673 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -12.328 23.151 20.485 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -11.782 23.326 21.284 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -11.692 22.775 19.836 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -12.392 32.515 15.787 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -12.672 32.739 16.694 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -11.791 31.750 15.907 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -12.404 29.811 18.924 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -12.788 29.319 18.169 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -11.470 29.489 18.967 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -9.883 28.849 18.960 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -9.179 28.513 19.520 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -9.592 28.625 18.049 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -7.964 24.161 14.764 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -8.523 24.722 15.341 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -7.889 24.679 13.934 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -15.771 24.292 22.590 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -16.071 23.629 23.235 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -15.107 24.821 23.084 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -10.960 30.194 16.023 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -11.733 29.617 16.192 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -10.193 29.633 16.253 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -9.160 28.140 16.399 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -8.873 28.302 15.475 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -9.207 27.162 16.466 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -8.621 28.518 13.680 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -9.023 27.788 13.191 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -7.664 28.464 13.448 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -10.790 22.003 18.518 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -9.961 22.243 18.054 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -11.227 21.393 17.917 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -12.179 27.360 14.366 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -12.545 27.260 13.460 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -11.882 26.473 14.602 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -10.457 30.590 13.356 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -10.724 30.525 14.299 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -9.694 29.979 13.288 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -9.576 25.387 16.639 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -9.442 24.539 17.097 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -10.522 25.614 16.827 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -15.401 27.481 14.012 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -16.039 27.968 13.446 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -14.676 27.240 13.400 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -10.699 23.519 22.666 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -10.156 22.701 22.760 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -10.085 24.232 22.863 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -12.279 32.683 13.098 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -12.365 32.818 14.072 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -11.614 31.969 13.019 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -15.106 32.384 12.752 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -14.234 32.551 13.156 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -15.717 32.296 13.521 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -13.057 32.439 18.483 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -12.763 31.520 18.686 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -12.820 32.943 19.269 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -13.894 25.394 24.218 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -13.861 26.369 24.067 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -12.981 25.109 24.107 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -13.595 28.042 23.605 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -13.150 28.483 22.844 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -13.972 28.769 24.108 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -8.496 22.731 17.077 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -8.269 23.016 16.165 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -7.643 22.616 17.508 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -6.389 18.521 16.920 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -6.548 19.212 17.570 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -7.285 18.167 16.726 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -9.195 21.262 22.671 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -9.750 20.711 22.078 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -8.558 20.643 23.041 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -12.559 44.842 -10.527 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -11.926 45.581 -10.567 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -12.677 44.685 -9.563 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -16.337 49.377 -14.592 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -17.305 49.238 -14.525 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -16.044 48.708 -15.254 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -14.849 42.187 -13.057 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -15.127 43.103 -12.869 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -14.095 42.041 -12.450 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -9.010 36.455 -13.950 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -8.038 36.559 -13.944 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -9.351 37.373 -13.927 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -10.992 46.747 -9.041 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.408 47.135 -8.365 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -11.516 46.085 -8.549 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -12.329 51.235 -7.893 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -11.810 51.839 -7.354 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -11.654 50.664 -8.332 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -13.220 51.948 -13.220 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -13.227 51.783 -14.176 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -13.845 51.284 -12.862 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -10.530 49.606 -9.040 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -10.090 49.210 -8.258 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -10.742 48.843 -9.600 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -10.234 38.950 -13.558 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -9.669 39.657 -13.946 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -11.136 39.270 -13.700 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -7.756 40.240 -7.311 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -7.180 39.664 -6.756 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -7.740 41.089 -6.860 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -16.596 43.878 -7.699 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -16.639 43.476 -8.602 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -16.308 43.154 -7.137 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -9.452 41.285 -14.666 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -9.070 42.152 -14.815 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -10.416 41.457 -14.568 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -9.701 48.114 -6.918 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -10.440 47.820 -6.326 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -8.917 48.045 -6.365 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -11.244 40.851 -9.599 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -11.620 41.000 -8.725 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -10.580 40.152 -9.459 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -12.117 41.488 -14.136 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -13.041 41.567 -14.416 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -12.129 41.779 -13.195 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -11.667 47.181 -5.341 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -12.637 47.294 -5.396 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -11.555 46.339 -4.855 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -15.092 46.132 -7.750 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -15.712 45.367 -7.699 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -15.283 46.533 -8.624 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -4.706 35.656 -7.088 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -4.769 34.687 -7.190 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -4.048 35.925 -7.763 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -8.416 37.374 -3.190 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -7.639 37.643 -2.654 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -9.023 36.968 -2.543 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -9.968 34.216 -7.978 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -9.994 34.070 -8.952 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -9.555 35.086 -7.882 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -9.354 37.298 -5.713 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -8.658 37.252 -6.402 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -8.849 37.374 -4.868 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -14.112 49.442 -9.868 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -14.353 49.783 -10.757 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -13.342 49.969 -9.613 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -12.428 42.997 -5.683 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -11.852 42.304 -5.298 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -12.324 43.758 -5.070 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -12.491 42.286 -11.591 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -12.060 41.735 -10.898 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -12.472 43.193 -11.220 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -16.134 42.607 -10.007 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -15.895 43.319 -10.629 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -16.521 41.911 -10.577 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -15.267 47.781 -16.508 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -15.029 46.851 -16.471 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -15.485 47.936 -17.459 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -11.388 37.393 -7.502 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -10.930 37.960 -8.151 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -10.733 37.291 -6.774 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -10.984 41.121 -4.213 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -10.933 41.742 -3.447 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -10.244 40.517 -4.076 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -12.395 34.861 -4.157 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -11.714 34.280 -3.767 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -12.929 35.149 -3.387 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -6.191 38.868 -5.545 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -5.374 38.363 -5.352 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -6.320 39.426 -4.743 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -13.403 44.522 2.049 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -14.004 44.664 2.788 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -13.820 45.006 1.302 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -10.082 44.070 6.082 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -10.444 43.803 5.215 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -9.512 43.318 6.345 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -14.784 45.797 7.189 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -13.804 45.718 7.137 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -14.944 46.179 8.056 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -8.874 41.592 6.425 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -8.932 41.365 5.476 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -9.531 41.006 6.852 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -12.097 45.370 7.350 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -11.593 45.950 7.931 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -11.404 44.877 6.847 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -4.460 38.931 2.736 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -3.573 38.584 2.595 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -4.974 38.159 3.047 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -9.349 38.372 4.290 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -9.032 38.139 3.391 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -9.406 39.347 4.275 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -6.392 40.216 -3.188 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -6.353 39.403 -2.650 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -6.267 40.935 -2.539 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -16.224 40.588 3.574 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -15.433 40.035 3.773 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -16.957 39.939 3.539 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -12.859 43.461 -0.466 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -12.812 43.543 0.503 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -13.631 44.003 -0.710 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -6.757 43.557 1.369 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -7.080 43.173 2.195 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -6.332 44.379 1.637 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -11.464 43.129 3.836 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -12.183 42.986 4.498 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -11.903 43.611 3.110 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -9.577 41.132 3.798 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -9.702 40.800 2.880 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -10.204 41.889 3.862 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -14.419 46.962 -5.229 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -15.286 47.267 -4.893 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -14.596 46.730 -6.169 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -10.684 39.842 7.539 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -10.253 39.040 7.912 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -11.374 40.058 8.180 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -6.179 41.673 -0.793 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -6.066 42.365 -0.118 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -6.179 40.837 -0.278 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -10.816 42.922 -2.168 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -11.527 43.038 -1.494 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -9.978 43.034 -1.656 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -11.847 44.888 -3.791 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -12.451 45.356 -3.181 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -11.360 44.260 -3.211 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -7.103 38.658 7.713 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -7.957 38.352 8.092 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -7.217 39.614 7.608 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -9.517 37.543 8.442 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -9.806 36.994 7.679 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -9.746 36.999 9.224 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -15.598 50.092 -4.630 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -15.863 51.011 -4.514 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -15.268 50.052 -5.553 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -12.148 38.660 5.500 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -11.818 38.662 4.575 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -11.480 39.181 5.994 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -13.362 43.000 5.763 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -14.244 42.613 5.937 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -13.221 43.614 6.497 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -10.544 40.130 1.477 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -10.988 40.422 0.673 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -11.210 39.586 1.939 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -12.882 37.845 10.199 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -13.737 37.548 10.563 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -13.126 38.304 9.369 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -8.108 37.662 1.905 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -7.347 37.250 2.382 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -8.170 37.160 1.085 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -13.331 40.020 -5.445 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -12.561 40.060 -4.846 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -13.461 40.936 -5.722 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -8.521 43.134 -0.768 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -8.137 43.509 0.043 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -7.846 42.497 -1.073 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 17.856 -5.826 -1.617 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 18.262 -5.503 -2.423 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 17.521 -5.018 -1.174 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 12.061 -8.422 7.580 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 12.707 -8.111 6.919 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 11.904 -9.359 7.336 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 5.019 -8.700 4.884 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 5.350 -9.622 4.858 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 4.575 -8.632 5.752 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 15.446 -2.381 6.952 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 15.916 -2.973 7.570 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 15.686 -1.495 7.245 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 13.822 -9.947 5.371 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 13.999 -10.309 4.474 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 13.130 -10.532 5.735 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 5.588 -11.420 5.111 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 5.558 -12.030 4.338 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 4.957 -11.797 5.732 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 10.739 -6.811 4.612 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 10.134 -6.061 4.397 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 11.639 -6.438 4.485 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 14.351 -7.500 6.350 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 14.070 -6.862 5.661 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 14.349 -8.373 5.886 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 6.219 -3.778 -1.205 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 6.051 -2.885 -1.585 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 7.149 -3.939 -1.387 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 14.736 -2.123 4.230 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 15.105 -2.290 5.115 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 15.309 -1.417 3.861 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 17.215 -1.429 1.140 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 17.894 -0.765 0.992 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 16.728 -1.103 1.920 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 23.802 -4.868 10.361 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 24.738 -4.818 10.601 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 23.737 -5.684 9.807 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 16.174 -6.520 0.544 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 16.195 -5.561 0.636 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 16.732 -6.694 -0.234 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 22.121 -9.388 9.182 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 22.008 -10.272 9.550 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 21.458 -9.343 8.461 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 9.771 -2.172 2.074 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 10.713 -1.958 2.210 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 9.298 -1.378 2.388 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 9.012 -4.735 4.383 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 9.633 -3.981 4.501 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 8.356 -4.401 3.741 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 10.025 -9.433 4.939 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 9.696 -9.705 4.076 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 10.352 -8.514 4.794 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 16.702 -3.684 -0.334 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 15.856 -3.387 -0.680 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 16.997 -2.943 0.244 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 22.689 0.558 12.583 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 21.884 0.013 12.478 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 22.996 0.350 13.494 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 8.845 -1.357 6.004 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 9.536 -1.934 5.610 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 9.127 -0.450 5.763 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 17.999 -10.915 10.419 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 18.407 -11.569 11.038 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 18.527 -11.008 9.597 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 20.223 -13.844 9.446 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 20.121 -12.938 9.086 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 20.076 -14.416 8.687 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 8.531 -9.461 7.267 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 8.737 -8.572 7.589 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 8.984 -9.509 6.403 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 15.495 -10.076 9.805 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 14.951 -10.807 10.114 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 16.418 -10.379 9.963 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 20.234 -9.047 7.186 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 19.971 -8.286 7.751 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 20.560 -8.627 6.358 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 10.138 -13.144 7.436 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 9.240 -12.832 7.163 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 10.103 -14.098 7.314 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 19.476 3.317 9.074 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 20.030 4.008 9.514 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 18.601 3.435 9.461 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 14.417 -10.596 2.776 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 14.659 -9.746 2.385 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 14.666 -11.243 2.110 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 11.569 -10.953 6.624 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 10.928 -10.534 6.009 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 11.147 -11.807 6.866 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 12.636 -8.871 10.939 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 11.745 -9.120 11.251 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 13.207 -8.992 11.719 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 22.364 -5.183 12.669 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 22.718 -5.057 11.762 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 22.556 -6.127 12.870 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 7.466 -3.595 2.364 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 8.337 -3.231 2.080 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 6.849 -2.849 2.245 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 13.264 -5.630 4.640 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 13.096 -4.847 5.208 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 13.784 -5.281 3.903 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 10.835 -2.775 4.874 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 11.319 -2.316 4.152 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 11.546 -3.053 5.496 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 19.348 -12.819 11.805 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 19.606 -13.350 12.561 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 19.708 -13.308 11.031 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 18.377 -13.528 6.880 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 18.394 -13.936 6.008 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 17.484 -13.694 7.205 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 20.141 -6.990 8.978 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 20.024 -7.235 9.920 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 21.045 -6.654 8.932 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 15.747 -5.115 12.761 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 14.891 -5.489 13.051 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 16.366 -5.374 13.452 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 7.827 -3.747 12.044 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 8.395 -4.485 11.722 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 8.211 -3.523 12.922 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 9.786 -6.951 7.153 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 10.544 -7.355 7.625 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 10.096 -6.884 6.226 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 9.986 -9.647 11.508 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 10.278 -10.350 10.877 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 9.028 -9.632 11.411 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 10.707 -11.367 9.516 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 10.413 -12.114 8.958 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 11.283 -10.854 8.935 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 15.107 -8.981 15.369 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 14.203 -8.722 15.664 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 15.490 -9.441 16.150 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 14.828 -8.509 12.701 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 14.913 -8.757 13.652 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 15.730 -8.637 12.341 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 5.511 -1.551 2.302 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 4.971 -0.823 1.938 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 4.869 -2.274 2.444 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 20.283 0.104 6.207 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 20.393 -0.657 6.810 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 21.089 0.074 5.638 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 20.135 -4.867 14.282 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 20.902 -4.917 13.676 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 19.994 -3.922 14.407 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 4.981 -4.618 5.007 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 4.590 -5.505 5.097 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 4.813 -4.377 4.083 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 20.257 -7.594 14.398 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 20.114 -6.632 14.557 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 19.400 -8.009 14.656 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 17.568 -8.640 11.881 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 18.424 -8.182 11.752 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 17.668 -9.474 11.367 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 23.551 -7.105 8.872 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 24.167 -7.363 8.179 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 23.071 -7.939 9.090 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 19.586 -11.463 8.246 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 19.779 -10.648 7.727 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 19.173 -12.072 7.596 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 5.278 -13.286 3.161 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 4.696 -13.182 2.400 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 5.707 -14.137 3.019 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 16.306 -0.021 3.471 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 17.273 0.114 3.602 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 15.892 0.706 3.979 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 6.231 -6.029 2.204 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 6.844 -6.626 2.648 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 6.697 -5.159 2.209 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 20.918 -1.619 12.620 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 21.727 -2.163 12.690 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 20.797 -1.490 11.650 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 17.790 -0.170 20.459 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 17.973 -1.103 20.603 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 16.992 -0.167 19.889 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 23.177 -0.650 15.010 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 23.847 -0.755 15.693 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 23.260 -1.468 14.463 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 15.434 -0.145 19.047 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 15.064 0.766 19.065 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 14.830 -0.658 19.628 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 6.761 -1.869 21.722 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 5.965 -1.372 21.428 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 6.413 -2.547 22.310 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 16.763 0.434 13.057 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 17.049 0.237 13.977 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 17.576 0.377 12.542 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 18.199 2.478 20.856 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 18.033 1.510 20.755 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 19.155 2.544 20.924 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 16.555 -10.112 17.439 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 16.637 -10.536 18.298 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 17.459 -10.081 17.100 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 12.713 -4.794 16.547 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 12.677 -4.207 17.344 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 13.538 -5.285 16.654 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 12.108 -3.945 14.028 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 12.513 -4.657 13.499 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 12.376 -4.151 14.948 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 12.700 -3.053 18.562 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 13.424 -2.771 19.147 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 11.939 -2.504 18.846 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 10.768 -7.305 12.865 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 10.586 -7.252 13.824 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 10.429 -8.186 12.601 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 13.614 -1.347 20.651 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 12.659 -1.424 20.480 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 13.665 -0.845 21.492 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 12.705 -8.017 16.259 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 12.060 -7.338 15.966 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 12.400 -8.267 17.138 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 9.157 -3.222 16.904 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 8.620 -2.417 16.723 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 9.214 -3.255 17.865 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 10.675 -6.310 15.595 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 9.801 -6.053 15.905 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 11.270 -5.607 15.943 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 15.673 -1.109 16.508 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 15.666 -0.774 17.430 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 16.488 -0.726 16.122 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 9.650 -5.493 11.117 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 10.393 -4.928 10.817 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 10.081 -6.186 11.662 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 4.791 -0.184 20.849 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 4.427 0.525 21.390 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 5.052 0.263 20.010 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 20.368 -0.864 15.181 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 21.306 -0.714 15.395 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 20.384 -1.166 14.248 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 9.429 -3.355 14.184 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 10.369 -3.601 14.030 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 9.325 -3.408 15.156 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 13.280 -6.265 12.973 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 12.346 -6.566 12.902 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 13.802 -7.094 12.902 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 17.735 -8.557 14.633 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 17.630 -8.666 13.667 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 16.826 -8.638 14.983 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 3.816 -0.914 10.367 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 3.999 -1.872 10.285 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 3.163 -0.862 11.084 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 1.528 -2.571 17.278 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 0.819 -2.563 17.927 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 2.256 -2.063 17.710 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 5.806 1.534 0.408 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 5.347 1.372 -0.439 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 5.146 1.285 1.082 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 7.029 4.683 4.446 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 7.752 4.206 4.904 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 7.489 5.365 3.926 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 21.136 4.841 10.545 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 21.815 4.276 10.969 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 21.313 5.722 10.886 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 11.330 5.254 2.657 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 11.989 5.430 1.975 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 11.251 4.265 2.665 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 9.188 3.751 5.806 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 9.406 3.386 6.692 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 9.258 4.720 5.926 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 11.575 6.815 4.870 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 11.594 6.160 4.135 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 11.234 7.633 4.450 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 9.044 9.334 6.367 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 9.439 9.266 5.475 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 8.481 10.145 6.319 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 8.882 13.636 7.799 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 8.952 14.587 7.911 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 9.304 13.268 8.605 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 15.133 3.153 10.597 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 14.619 2.969 9.779 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 15.262 4.107 10.582 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 12.924 -3.507 6.392 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 13.724 -2.946 6.435 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 13.022 -4.117 7.159 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 9.209 6.517 6.195 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 10.050 6.585 5.694 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 8.899 7.445 6.267 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 5.359 14.682 5.726 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 5.286 14.890 4.779 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 5.945 15.390 6.077 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 9.831 12.455 10.078 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 9.823 11.557 9.695 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 9.233 12.392 10.837 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 9.895 8.689 3.766 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 9.337 7.955 3.421 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 9.954 9.308 3.028 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 12.481 7.028 7.447 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 13.122 6.307 7.509 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 12.205 7.022 6.499 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 4.817 5.230 5.937 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 5.270 5.793 6.574 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 5.536 4.938 5.324 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 12.650 1.194 4.194 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 12.181 1.270 5.052 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 13.574 1.448 4.408 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 8.800 6.313 2.768 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 8.393 6.046 1.935 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 9.666 5.845 2.775 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 13.484 2.753 8.443 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 13.066 2.336 7.666 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 12.850 2.578 9.174 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 7.785 10.958 11.372 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 7.869 10.665 10.452 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 6.818 11.011 11.520 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 11.184 2.605 2.359 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 10.709 1.969 1.808 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 11.730 2.048 2.959 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 10.132 6.288 8.717 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 9.601 6.254 7.890 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 11.025 6.550 8.412 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 7.676 11.695 6.316 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 6.878 12.159 6.043 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 8.174 12.365 6.842 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 11.957 9.701 11.820 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 12.052 9.403 10.890 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 12.280 10.610 11.811 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 11.684 1.338 6.806 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 11.368 0.429 6.861 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 10.986 1.861 7.254 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 12.236 9.274 9.065 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 12.793 9.907 8.595 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 12.359 8.434 8.570 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 4.021 13.135 10.304 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 4.254 13.859 9.670 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 3.329 12.626 9.837 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 9.037 7.678 10.779 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 9.052 8.598 10.462 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 9.352 7.157 10.011 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 10.024 4.308 10.555 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 10.090 5.013 9.871 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 10.115 4.792 11.403 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 9.667 2.674 8.236 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 8.887 2.108 8.422 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 9.778 3.203 9.050 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 9.544 9.884 9.077 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 10.493 9.638 9.070 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 9.249 9.719 8.154 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 10.093 6.085 12.707 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 10.653 6.690 13.238 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 9.581 6.690 12.120 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 11.622 7.971 14.062 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 10.908 8.550 14.378 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 11.999 8.456 13.300 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 14.391 0.158 11.454 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 15.224 0.210 11.963 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 14.253 1.062 11.133 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 15.106 2.582 13.309 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 15.081 2.839 12.365 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 15.766 1.860 13.342 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 6.542 17.084 6.018 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 6.957 17.945 6.116 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 6.232 17.069 5.088 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 3.135 10.380 2.722 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 4.037 10.676 2.569 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 2.736 10.355 1.825 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 3.366 3.947 -1.553 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 3.063 4.335 -0.700 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 4.238 4.329 -1.686 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 20.872 -0.862 10.023 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 21.124 0.052 9.778 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 20.830 -1.335 9.168 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 12.334 -1.356 3.098 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 13.195 -1.753 3.363 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 12.423 -0.413 3.349 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 16.927 3.881 5.251 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 17.583 3.337 5.751 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 17.468 4.439 4.686 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 18.726 2.373 6.575 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 19.282 1.579 6.426 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 19.036 2.724 7.432 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 8.000 -0.128 2.672 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 7.144 -0.538 2.443 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 8.195 0.463 1.908 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 8.501 1.466 0.527 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 7.531 1.648 0.508 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 8.734 1.337 -0.397 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 9.153 1.141 4.982 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 9.142 1.090 4.012 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 9.297 2.095 5.171 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 15.139 1.864 5.228 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 15.118 1.746 6.186 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 15.700 2.667 5.099 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 17.914 0.190 15.587 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 18.770 -0.300 15.509 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 18.150 0.999 16.054 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 12.568 5.930 15.751 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 12.198 6.697 15.262 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 13.492 6.165 15.891 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 9.703 1.928 15.610 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 9.975 1.999 16.544 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 10.144 2.685 15.175 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 13.050 2.335 15.059 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 13.832 2.417 14.464 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 12.342 2.821 14.592 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 10.994 4.088 14.418 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 11.546 4.709 14.942 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 10.562 4.660 13.752 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 10.606 2.208 18.244 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 10.909 1.909 19.127 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 11.327 2.799 17.936 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 12.795 3.627 17.401 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 12.996 3.065 16.613 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 12.637 4.514 17.025 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 5.031 11.020 11.712 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 4.806 11.836 11.209 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 4.241 10.448 11.603 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 14.194 2.289 19.338 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 13.781 2.865 18.655 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 14.779 2.897 19.843 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 11.956 1.264 20.473 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 12.204 1.043 21.393 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 12.776 1.655 20.094 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 14.526 2.718 23.081 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 14.980 3.059 22.281 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 14.733 3.363 23.763 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 11.013 -1.148 19.588 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 11.378 -0.245 19.713 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 10.095 -1.076 19.923 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 7.486 8.203 13.943 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 6.893 8.933 14.210 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 8.320 8.654 13.688 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 9.541 9.801 13.154 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 10.370 9.827 12.637 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 8.897 10.294 12.599 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 8.684 -0.266 20.727 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 8.924 0.224 21.522 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 7.999 -0.909 21.037 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 8.136 1.029 18.359 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 8.299 0.574 19.213 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 8.905 1.632 18.260 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 13.231 0.368 22.804 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 13.755 1.203 22.889 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 13.127 0.063 23.712 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 15.859 3.788 20.925 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 16.132 4.709 20.887 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 16.712 3.282 20.901 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 8.051 -0.778 16.306 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 7.288 -0.535 15.762 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 8.085 -0.076 16.996 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 11.741 2.136 10.426 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 11.133 1.424 10.137 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 11.150 2.887 10.635 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 5.462 33.343 -8.561 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 5.898 33.935 -7.942 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 5.884 33.527 -9.408 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 0.107 27.875 0.869 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 0.734 27.965 0.119 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -0.323 28.754 0.930 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 1.472 27.838 3.329 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 0.965 27.650 2.513 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 2.115 28.520 3.053 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 1.864 27.743 -1.282 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 1.305 27.126 -1.802 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 2.527 28.069 -1.934 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 2.548 24.518 4.077 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 2.514 25.435 4.366 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 2.382 24.568 3.108 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 0.424 27.197 5.742 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 1.248 27.142 6.236 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 0.704 27.486 4.838 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 3.403 27.150 0.901 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 2.970 27.344 0.043 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 3.447 28.018 1.345 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 3.585 28.204 -3.369 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 3.201 27.382 -3.756 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 4.228 28.494 -4.019 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 25.615 -2.407 11.737 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 26.533 -2.138 11.837 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 25.209 -1.687 11.205 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 22.707 -7.848 13.244 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 21.901 -7.875 13.810 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 23.277 -8.531 13.610 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 21.057 -2.208 7.625 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 21.957 -2.401 7.978 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 20.837 -2.986 7.100 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 23.457 -2.613 8.851 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 23.543 -3.441 9.375 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 23.692 -1.904 9.488 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 20.236 -7.761 11.629 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 21.128 -8.107 11.466 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 20.212 -7.622 12.599 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 24.317 -1.164 6.637 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 24.129 -1.860 7.296 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 24.291 -0.334 7.156 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 22.993 3.016 11.474 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 23.891 3.262 11.722 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 22.829 2.176 11.967 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 23.400 -2.756 13.324 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 24.240 -2.738 12.811 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 23.096 -3.688 13.251 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 19.028 0.217 3.737 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 19.290 0.232 4.678 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 19.864 0.168 3.261 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 22.474 -0.311 4.700 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 22.981 -0.753 5.408 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 23.154 -0.067 4.047 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 21.120 -7.657 4.990 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 21.840 -7.800 4.367 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 20.458 -7.171 4.484 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 24.243 -0.465 10.420 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 24.258 0.170 9.671 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 23.666 -0.038 11.086 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 23.979 1.119 8.181 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 23.059 1.322 8.472 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 24.264 1.919 7.723 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 25.177 -0.427 4.080 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 25.093 -0.781 4.987 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 26.034 -0.738 3.782 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 21.648 1.707 9.417 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 22.061 2.264 10.108 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 20.833 2.200 9.169 1.00 0.00 WAT1 END