REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -12.084 -0.028 -14.095 1.00 32.10 ATOM 2 CB MET 1 -12.283 -1.799 -15.278 1.00 50.14 ATOM 3 HB1 MET 1 -12.049 -2.491 -14.476 1.00 38.92 ATOM 4 HB2 MET 1 -11.881 -2.185 -16.204 1.00 53.34 ATOM 5 CG MET 1 -13.794 -1.710 -15.415 1.00 73.25 ATOM 6 HG1 MET 1 -14.023 -1.270 -16.375 1.00 38.92 ATOM 7 HG2 MET 1 -14.184 -1.076 -14.628 1.00 12.24 ATOM 8 SD MET 1 -14.598 -3.320 -15.295 1.00 53.35 ATOM 9 CE MET 1 -15.883 -3.149 -16.532 1.00 30.32 ATOM 10 HE1 MET 1 -15.433 -2.962 -17.496 1.00 42.44 ATOM 11 HE2 MET 1 -16.528 -2.323 -16.269 1.00 51.45 ATOM 12 HE3 MET 1 -16.463 -4.059 -16.577 1.00 64.43 ATOM 13 C MET 1 -10.131 -0.663 -14.697 1.00 62.54 ATOM 14 O MET 1 -9.439 -1.345 -15.453 1.00 3.24 ATOM 15 N MET 1 -11.815 0.471 -16.081 1.00 52.21 ATOM 16 HT1 MET 1 -11.337 1.376 -15.884 1.00 38.92 ATOM 17 HT2 MET 1 -12.829 0.667 -16.218 1.00 38.92 ATOM 18 HT3 MET 1 -11.427 0.079 -16.967 1.00 38.92 ATOM 19 CA MET 1 -11.617 -0.456 -14.973 1.00 63.02 ATOM 20 N GLY 2 -9.647 -0.071 -13.610 1.00 44.42 ATOM 21 HN GLY 2 -10.250 0.463 -13.041 1.00 38.92 ATOM 22 CA GLY 2 -8.246 -0.203 -13.255 1.00 3.50 ATOM 23 HA1 GLY 2 -7.636 -0.112 -14.146 1.00 38.92 ATOM 24 HA2 GLY 2 -8.087 -1.180 -12.824 1.00 35.10 ATOM 25 C GLY 2 -7.799 0.848 -12.258 1.00 10.03 ATOM 26 O GLY 2 -6.769 1.496 -12.447 1.00 12.20 ATOM 27 N HIS 3 -8.576 1.019 -11.193 1.00 21.04 ATOM 28 HN HIS 3 -9.379 0.460 -11.077 1.00 38.92 ATOM 29 CA HIS 3 -8.255 2.000 -10.162 1.00 21.32 ATOM 30 HA HIS 3 -7.432 2.621 -10.499 1.00 25.04 ATOM 31 CB HIS 3 -9.463 2.896 -9.887 1.00 20.54 ATOM 32 HB1 HIS 3 -9.292 3.471 -8.985 1.00 38.92 ATOM 33 HB2 HIS 3 -10.338 2.279 -9.752 1.00 1.02 ATOM 34 CG HIS 3 -9.753 3.866 -10.990 1.00 71.31 ATOM 35 ND1 HIS 3 -11.010 4.380 -11.229 1.00 0.22 ATOM 36 HD1 HIS 3 -11.821 4.171 -10.719 1.00 50.22 ATOM 37 CD2 HIS 3 -8.940 4.416 -11.921 1.00 43.53 ATOM 38 HD2 HIS 3 -7.880 4.237 -12.032 1.00 53.15 ATOM 39 CE1 HIS 3 -10.957 5.204 -12.260 1.00 54.21 ATOM 40 HE1 HIS 3 -11.790 5.753 -12.673 1.00 52.45 ATOM 41 NE2 HIS 3 -9.712 5.244 -12.698 1.00 51.24 ATOM 42 HE2 HIS 3 -9.377 5.849 -13.392 1.00 38.92 ATOM 43 C HIS 3 -7.814 1.310 -8.874 1.00 52.12 ATOM 44 O HIS 3 -6.691 1.504 -8.407 1.00 73.10 ATOM 45 N HIS 4 -8.706 0.505 -8.305 1.00 4.25 ATOM 46 HN HIS 4 -9.588 0.384 -8.732 1.00 38.92 ATOM 47 CA HIS 4 -8.408 -0.213 -7.070 1.00 73.14 ATOM 48 HA HIS 4 -8.065 0.506 -6.335 1.00 55.40 ATOM 49 CB HIS 4 -9.667 -0.899 -6.539 1.00 31.30 ATOM 50 HB1 HIS 4 -9.415 -1.493 -5.669 1.00 38.92 ATOM 51 HB2 HIS 4 -10.067 -1.545 -7.305 1.00 32.45 ATOM 52 CG HIS 4 -10.747 0.058 -6.137 1.00 25.14 ATOM 53 ND1 HIS 4 -12.042 -0.336 -5.873 1.00 44.55 ATOM 54 HD1 HIS 4 -12.382 -1.254 -5.920 1.00 10.21 ATOM 55 CD2 HIS 4 -10.717 1.398 -5.951 1.00 51.41 ATOM 56 HD2 HIS 4 -9.857 2.042 -6.069 1.00 11.11 ATOM 57 CE1 HIS 4 -12.763 0.722 -5.545 1.00 64.33 ATOM 58 HE1 HIS 4 -13.812 0.717 -5.287 1.00 72.11 ATOM 59 NE2 HIS 4 -11.982 1.787 -5.584 1.00 72.43 ATOM 60 HE2 HIS 4 -12.284 2.713 -5.477 1.00 38.92 ATOM 61 C HIS 4 -7.308 -1.246 -7.294 1.00 42.24 ATOM 62 O HIS 4 -7.059 -1.668 -8.424 1.00 43.53 ATOM 63 N HIS 5 -6.651 -1.649 -6.211 1.00 15.20 ATOM 64 HN HIS 5 -6.895 -1.286 -5.328 1.00 38.92 ATOM 65 CA HIS 5 -5.577 -2.632 -6.290 1.00 31.24 ATOM 66 HA HIS 5 -5.344 -2.829 -7.329 1.00 73.31 ATOM 67 CB HIS 5 -4.316 -2.096 -5.612 1.00 22.02 ATOM 68 HB1 HIS 5 -3.497 -2.774 -5.805 1.00 38.92 ATOM 69 HB2 HIS 5 -4.480 -2.035 -4.543 1.00 52.41 ATOM 70 CG HIS 5 -3.909 -0.737 -6.092 1.00 53.03 ATOM 71 ND1 HIS 5 -3.495 -0.488 -7.384 1.00 24.24 ATOM 72 HD1 HIS 5 -3.425 -1.153 -8.101 1.00 1.24 ATOM 73 CD2 HIS 5 -3.857 0.451 -5.446 1.00 50.43 ATOM 74 HD2 HIS 5 -4.115 0.630 -4.412 1.00 25.51 ATOM 75 CE1 HIS 5 -3.203 0.794 -7.511 1.00 12.12 ATOM 76 HE1 HIS 5 -2.852 1.276 -8.412 1.00 31.54 ATOM 77 NE2 HIS 5 -3.415 1.387 -6.350 1.00 31.35 ATOM 78 HE2 HIS 5 -3.188 2.317 -6.141 1.00 38.92 ATOM 79 C HIS 5 -5.997 -3.948 -5.642 1.00 22.32 ATOM 80 O HIS 5 -5.260 -4.518 -4.836 1.00 32.01 ATOM 81 N HIS 6 -7.185 -4.426 -5.999 1.00 0.44 ATOM 82 HN HIS 6 -7.725 -3.938 -6.666 1.00 38.92 ATOM 83 CA HIS 6 -7.703 -5.675 -5.452 1.00 3.33 ATOM 84 HA HIS 6 -7.277 -5.822 -4.468 1.00 74.41 ATOM 85 CB HIS 6 -9.225 -5.610 -5.329 1.00 13.12 ATOM 86 HB1 HIS 6 -9.622 -6.607 -5.175 1.00 38.92 ATOM 87 HB2 HIS 6 -9.637 -5.204 -6.241 1.00 14.43 ATOM 88 CG HIS 6 -9.699 -4.759 -4.191 1.00 43.52 ATOM 89 ND1 HIS 6 -8.973 -4.579 -3.032 1.00 61.25 ATOM 90 HD1 HIS 6 -8.107 -4.981 -2.825 1.00 20.24 ATOM 91 CD2 HIS 6 -10.832 -4.034 -4.040 1.00 3.44 ATOM 92 HD2 HIS 6 -11.635 -3.942 -4.758 1.00 35.43 ATOM 93 CE1 HIS 6 -9.640 -3.782 -2.217 1.00 22.33 ATOM 94 HE1 HIS 6 -9.315 -3.465 -1.237 1.00 23.35 ATOM 95 NE2 HIS 6 -10.771 -3.437 -2.804 1.00 50.34 ATOM 96 HE2 HIS 6 -11.494 -2.927 -2.382 1.00 38.92 ATOM 97 C HIS 6 -7.301 -6.859 -6.326 1.00 50.54 ATOM 98 O HIS 6 -7.490 -6.837 -7.543 1.00 35.20 ATOM 99 N HIS 7 -6.745 -7.890 -5.699 1.00 3.01 ATOM 100 HN HIS 7 -6.605 -7.851 -4.724 1.00 38.92 ATOM 101 CA HIS 7 -6.316 -9.083 -6.420 1.00 50.14 ATOM 102 HA HIS 7 -6.813 -9.091 -7.384 1.00 2.12 ATOM 103 CB HIS 7 -4.802 -9.060 -6.631 1.00 62.44 ATOM 104 HB1 HIS 7 -4.297 -9.416 -5.741 1.00 38.92 ATOM 105 HB2 HIS 7 -4.489 -8.043 -6.826 1.00 13.32 ATOM 106 CG HIS 7 -4.346 -9.895 -7.788 1.00 62.51 ATOM 107 ND1 HIS 7 -3.111 -10.508 -7.834 1.00 34.35 ATOM 108 HD1 HIS 7 -2.423 -10.463 -7.137 1.00 62.43 ATOM 109 CD2 HIS 7 -4.968 -10.219 -8.946 1.00 23.31 ATOM 110 HD2 HIS 7 -5.958 -9.910 -9.250 1.00 52.15 ATOM 111 CE1 HIS 7 -2.993 -11.171 -8.970 1.00 30.41 ATOM 112 HE1 HIS 7 -2.133 -11.746 -9.279 1.00 73.21 ATOM 113 NE2 HIS 7 -4.106 -11.013 -9.663 1.00 12.41 ATOM 114 HE2 HIS 7 -4.247 -11.320 -10.583 1.00 38.92 ATOM 115 C HIS 7 -6.718 -10.347 -5.667 1.00 22.30 ATOM 116 O HIS 7 -6.644 -10.401 -4.439 1.00 4.51 ATOM 117 N HIS 8 -7.144 -11.363 -6.411 1.00 33.35 ATOM 118 HN HIS 8 -7.170 -11.266 -7.393 1.00 38.92 ATOM 119 CA HIS 8 -7.558 -12.628 -5.812 1.00 52.44 ATOM 120 HA HIS 8 -8.149 -12.407 -4.926 1.00 3.15 ATOM 121 CB HIS 8 -8.426 -13.419 -6.791 1.00 73.01 ATOM 122 HB1 HIS 8 -8.547 -14.435 -6.432 1.00 38.92 ATOM 123 HB2 HIS 8 -7.940 -13.441 -7.755 1.00 14.12 ATOM 124 CG HIS 8 -9.794 -12.839 -6.982 1.00 71.53 ATOM 125 ND1 HIS 8 -10.051 -11.779 -7.825 1.00 41.04 ATOM 126 HD1 HIS 8 -9.387 -11.307 -8.370 1.00 52.25 ATOM 127 CD2 HIS 8 -10.984 -13.180 -6.435 1.00 13.32 ATOM 128 HD2 HIS 8 -11.158 -13.976 -5.724 1.00 43.44 ATOM 129 CE1 HIS 8 -11.340 -11.491 -7.787 1.00 4.22 ATOM 130 HE1 HIS 8 -11.829 -10.707 -8.346 1.00 70.21 ATOM 131 NE2 HIS 8 -11.929 -12.327 -6.951 1.00 4.43 ATOM 132 HE2 HIS 8 -12.865 -12.273 -6.664 1.00 38.92 ATOM 133 C HIS 8 -6.345 -13.458 -5.403 1.00 54.05 ATOM 134 O HIS 8 -5.658 -14.029 -6.250 1.00 31.10 ATOM 135 N SER 9 -6.088 -13.520 -4.101 1.00 13.52 ATOM 136 HN SER 9 -6.669 -13.032 -3.469 1.00 38.92 ATOM 137 CA SER 9 -4.956 -14.276 -3.580 1.00 63.11 ATOM 138 HA SER 9 -4.878 -15.205 -4.132 1.00 54.33 ATOM 139 CB SER 9 -3.659 -13.484 -3.761 1.00 74.05 ATOM 140 HB1 SER 9 -2.816 -14.139 -3.598 1.00 38.92 ATOM 141 HB2 SER 9 -3.623 -12.668 -3.049 1.00 73.34 ATOM 142 OG SER 9 -3.569 -12.946 -5.069 1.00 72.24 ATOM 143 HG SER 9 -3.967 -12.072 -5.089 1.00 42.32 ATOM 144 C SER 9 -5.158 -14.611 -2.106 1.00 31.34 ATOM 145 O SER 9 -6.070 -14.094 -1.459 1.00 23.32 ATOM 146 N HIS 10 -4.301 -15.481 -1.580 1.00 11.12 ATOM 147 HN HIS 10 -3.587 -15.861 -2.144 1.00 38.92 ATOM 148 CA HIS 10 -4.384 -15.886 -0.181 1.00 54.10 ATOM 149 HA HIS 10 -5.080 -15.230 0.323 1.00 32.53 ATOM 150 CB HIS 10 -4.903 -17.320 -0.073 1.00 74.04 ATOM 151 HB1 HIS 10 -5.969 -17.316 -0.246 1.00 38.92 ATOM 152 HB2 HIS 10 -4.711 -17.717 0.913 1.00 4.41 ATOM 153 CG HIS 10 -4.288 -18.256 -1.067 1.00 64.13 ATOM 154 ND1 HIS 10 -4.745 -18.387 -2.362 1.00 2.34 ATOM 155 HD1 HIS 10 -5.497 -17.898 -2.756 1.00 33.13 ATOM 156 CD2 HIS 10 -3.243 -19.109 -0.951 1.00 31.11 ATOM 157 HD2 HIS 10 -2.641 -19.268 -0.068 1.00 2.55 ATOM 158 CE1 HIS 10 -4.009 -19.281 -2.998 1.00 13.12 ATOM 159 HE1 HIS 10 -4.136 -19.588 -4.026 1.00 14.02 ATOM 160 NE2 HIS 10 -3.091 -19.734 -2.164 1.00 64.01 ATOM 161 HE2 HIS 10 -2.471 -20.470 -2.351 1.00 38.92 ATOM 162 C HIS 10 -3.024 -15.772 0.499 1.00 25.54 ATOM 163 O HIS 10 -1.976 -15.790 -0.147 1.00 22.40 ATOM 164 N PRO 11 -3.037 -15.652 1.835 1.00 13.02 ATOM 165 CA PRO 11 -1.813 -15.533 2.632 1.00 44.10 ATOM 166 HA PRO 11 -1.192 -14.721 2.275 1.00 53.40 ATOM 167 CB PRO 11 -2.332 -15.196 4.032 1.00 43.30 ATOM 168 HB1 PRO 11 -2.346 -14.124 4.158 1.00 38.92 ATOM 169 HB2 PRO 11 -1.703 -15.640 4.795 1.00 72.41 ATOM 170 CG PRO 11 -3.712 -15.754 4.069 1.00 72.51 ATOM 171 HG1 PRO 11 -4.319 -15.187 4.759 1.00 38.92 ATOM 172 HG2 PRO 11 -3.680 -16.793 4.363 1.00 55.44 ATOM 173 CD PRO 11 -4.250 -15.623 2.671 1.00 64.23 ATOM 174 HD1 PRO 11 -4.774 -14.685 2.557 1.00 38.92 ATOM 175 HD2 PRO 11 -4.904 -16.446 2.457 1.00 51.45 ATOM 176 C PRO 11 -1.010 -16.829 2.659 1.00 35.42 ATOM 177 O PRO 11 -1.562 -17.907 2.881 1.00 43.43 ATOM 178 N ASN 12 0.294 -16.717 2.433 1.00 64.41 ATOM 179 HN ASN 12 0.680 -15.824 2.263 1.00 38.92 ATOM 180 CA ASN 12 1.173 -17.882 2.432 1.00 54.24 ATOM 181 HA ASN 12 0.824 -18.552 1.656 1.00 74.32 ATOM 182 CB ASN 12 2.612 -17.461 2.129 1.00 40.53 ATOM 183 HB1 ASN 12 3.064 -17.029 3.014 1.00 38.92 ATOM 184 HB2 ASN 12 2.603 -16.719 1.343 1.00 21.24 ATOM 185 CG ASN 12 3.469 -18.622 1.664 1.00 72.31 ATOM 186 OD1 ASN 12 2.954 -19.674 1.283 1.00 24.15 ATOM 187 ND2 ASN 12 4.783 -18.437 1.693 1.00 3.40 ATOM 188 HD21 ASN 12 5.139 -17.575 2.007 1.00 3.43 ATOM 189 HD22 ASN 12 5.354 -19.176 1.396 1.00 32.13 ATOM 190 C ASN 12 1.115 -18.608 3.772 1.00 72.21 ATOM 191 O ASN 12 0.674 -18.047 4.774 1.00 13.01 ATOM 192 N GLU 13 1.564 -19.859 3.781 1.00 61.43 ATOM 193 HN GLU 13 1.873 -20.269 2.941 1.00 38.92 ATOM 194 CA GLU 13 1.563 -20.662 4.998 1.00 70.20 ATOM 195 HA GLU 13 0.541 -20.815 5.290 1.00 40.11 ATOM 196 CB GLU 13 2.214 -22.022 4.739 1.00 25.30 ATOM 197 HB1 GLU 13 3.241 -21.870 4.436 1.00 38.92 ATOM 198 HB2 GLU 13 1.680 -22.508 3.933 1.00 50.35 ATOM 199 CG GLU 13 2.203 -22.943 5.948 1.00 42.41 ATOM 200 HG1 GLU 13 1.198 -23.014 6.329 1.00 38.92 ATOM 201 HG2 GLU 13 2.843 -22.524 6.711 1.00 4.45 ATOM 202 CD GLU 13 2.701 -24.338 5.624 1.00 50.23 ATOM 203 OE1 GLU 13 2.081 -25.004 4.768 1.00 23.12 ATOM 204 OE2 GLU 13 3.709 -24.763 6.225 1.00 21.31 ATOM 205 C GLU 13 2.296 -19.941 6.126 1.00 71.43 ATOM 206 O GLU 13 1.783 -19.825 7.238 1.00 33.30 ATOM 207 N GLU 14 3.499 -19.460 5.829 1.00 21.01 ATOM 208 HN GLU 14 3.845 -19.565 4.911 1.00 38.92 ATOM 209 CA GLU 14 4.303 -18.752 6.818 1.00 20.03 ATOM 210 HA GLU 14 4.378 -19.373 7.702 1.00 32.12 ATOM 211 CB GLU 14 5.712 -18.499 6.277 1.00 73.20 ATOM 212 HB1 GLU 14 6.306 -18.018 7.044 1.00 38.92 ATOM 213 HB2 GLU 14 5.644 -17.838 5.422 1.00 71.22 ATOM 214 CG GLU 14 6.428 -19.763 5.831 1.00 3.22 ATOM 215 HG1 GLU 14 7.306 -19.475 5.272 1.00 38.92 ATOM 216 HG2 GLU 14 5.782 -20.347 5.194 1.00 21.32 ATOM 217 CD GLU 14 6.871 -20.625 6.998 1.00 51.24 ATOM 218 OE1 GLU 14 7.788 -20.202 7.732 1.00 25.20 ATOM 219 OE2 GLU 14 6.301 -21.721 7.176 1.00 74.22 ATOM 220 C GLU 14 3.649 -17.428 7.204 1.00 24.21 ATOM 221 O GLU 14 3.801 -16.953 8.329 1.00 24.42 ATOM 222 N ALA 15 2.922 -16.837 6.262 1.00 71.53 ATOM 223 HN ALA 15 2.853 -17.246 5.371 1.00 38.92 ATOM 224 CA ALA 15 2.244 -15.570 6.502 1.00 11.23 ATOM 225 HA ALA 15 2.965 -14.867 6.903 1.00 72.04 ATOM 226 CB ALA 15 1.714 -14.998 5.196 1.00 63.25 ATOM 227 HB1 ALA 15 1.321 -14.007 5.370 1.00 53.13 ATOM 228 HB2 ALA 15 0.931 -15.631 4.807 1.00 20.32 ATOM 229 HB3 ALA 15 2.518 -14.942 4.478 1.00 32.42 ATOM 230 C ALA 15 1.109 -15.736 7.507 1.00 23.35 ATOM 231 O ALA 15 0.985 -14.956 8.452 1.00 75.33 ATOM 232 N ARG 16 0.284 -16.757 7.298 1.00 42.23 ATOM 233 HN ARG 16 0.430 -17.329 6.512 1.00 38.92 ATOM 234 CA ARG 16 -0.842 -17.024 8.185 1.00 44.22 ATOM 235 HA ARG 16 -1.382 -16.098 8.340 1.00 44.02 ATOM 236 CB ARG 16 -1.790 -18.042 7.548 1.00 3.23 ATOM 237 HB1 ARG 16 -2.182 -17.618 6.633 1.00 38.92 ATOM 238 HB2 ARG 16 -2.614 -18.230 8.226 1.00 72.50 ATOM 239 CG ARG 16 -1.125 -19.367 7.213 1.00 3.21 ATOM 240 HG1 ARG 16 -0.722 -19.807 8.109 1.00 38.92 ATOM 241 HG2 ARG 16 -0.343 -19.200 6.509 1.00 71.13 ATOM 242 CD ARG 16 -2.113 -20.347 6.601 1.00 50.14 ATOM 243 HD1 ARG 16 -2.446 -19.936 5.658 1.00 38.92 ATOM 244 HD2 ARG 16 -2.959 -20.460 7.266 1.00 54.32 ATOM 245 NE ARG 16 -1.514 -21.660 6.375 1.00 2.52 ATOM 246 HE ARG 16 -0.681 -21.876 6.856 1.00 64.33 ATOM 247 CZ ARG 16 -2.034 -22.575 5.565 1.00 25.34 ATOM 248 NH1 ARG 16 -3.156 -22.322 4.907 1.00 33.51 ATOM 249 HH11 ARG 16 -3.635 -21.453 5.003 1.00 70.33 ATOM 250 HH12 ARG 16 -3.537 -23.019 4.296 1.00 61.40 ATOM 251 NH2 ARG 16 -1.429 -23.747 5.412 1.00 15.23 ATOM 252 HH21 ARG 16 -0.586 -23.948 5.906 1.00 42.13 ATOM 253 HH22 ARG 16 -1.818 -24.437 4.798 1.00 73.31 ATOM 254 C ARG 16 -0.358 -17.540 9.537 1.00 42.50 ATOM 255 O ARG 16 -0.941 -17.229 10.577 1.00 44.13 ATOM 256 N LEU 17 0.710 -18.329 9.515 1.00 4.14 ATOM 257 HN LEU 17 1.130 -18.558 8.653 1.00 38.92 ATOM 258 CA LEU 17 1.273 -18.889 10.739 1.00 0.34 ATOM 259 HA LEU 17 0.486 -19.412 11.266 1.00 74.34 ATOM 260 CB LEU 17 2.383 -19.886 10.404 1.00 22.22 ATOM 261 HB1 LEU 17 2.995 -19.458 9.621 1.00 38.92 ATOM 262 HB2 LEU 17 1.915 -20.782 10.018 1.00 40.14 ATOM 263 CG LEU 17 3.302 -20.282 11.561 1.00 51.32 ATOM 264 HG LEU 17 3.862 -19.418 11.885 1.00 70.43 ATOM 265 CD1 LEU 17 2.487 -20.788 12.741 1.00 51.22 ATOM 266 HD11 LEU 17 1.485 -21.061 12.431 1.00 51.44 ATOM 267 HD12 LEU 17 2.432 -20.023 13.497 1.00 74.41 ATOM 268 HD13 LEU 17 2.970 -21.651 13.154 1.00 0.15 ATOM 269 CD2 LEU 17 4.303 -21.336 11.110 1.00 10.44 ATOM 270 HD21 LEU 17 3.809 -22.093 10.527 1.00 54.01 ATOM 271 HD22 LEU 17 4.781 -21.794 11.967 1.00 60.13 ATOM 272 HD23 LEU 17 5.058 -20.862 10.501 1.00 61.52 ATOM 273 C LEU 17 1.819 -17.787 11.641 1.00 3.54 ATOM 274 O LEU 17 1.690 -17.850 12.864 1.00 24.41 ATOM 275 N ASP 18 2.427 -16.776 11.030 1.00 64.11 ATOM 276 HN ASP 18 2.518 -16.785 10.048 1.00 38.92 ATOM 277 CA ASP 18 2.991 -15.658 11.777 1.00 15.42 ATOM 278 HA ASP 18 3.771 -16.051 12.415 1.00 50.32 ATOM 279 CB ASP 18 3.591 -14.628 10.819 1.00 4.44 ATOM 280 HB1 ASP 18 2.802 -14.038 10.370 1.00 38.92 ATOM 281 HB2 ASP 18 4.128 -15.147 10.037 1.00 5.21 ATOM 282 CG ASP 18 4.563 -13.691 11.511 1.00 33.31 ATOM 283 OD1 ASP 18 5.362 -14.173 12.340 1.00 20.34 ATOM 284 OD2 ASP 18 4.523 -12.476 11.224 1.00 70.43 ATOM 285 C ASP 18 1.928 -14.999 12.652 1.00 43.54 ATOM 286 O ASP 18 2.231 -14.473 13.723 1.00 22.54 ATOM 287 N ILE 19 0.684 -15.029 12.186 1.00 21.14 ATOM 288 HN ILE 19 0.499 -15.467 11.328 1.00 38.92 ATOM 289 CA ILE 19 -0.422 -14.435 12.926 1.00 13.21 ATOM 290 HA ILE 19 -0.172 -13.400 13.132 1.00 50.22 ATOM 291 CB ILE 19 -1.727 -14.463 12.108 1.00 64.34 ATOM 292 HB ILE 19 -2.005 -15.488 11.960 1.00 51.01 ATOM 293 CG1 ILE 19 -1.512 -13.807 10.742 1.00 21.12 ATOM 294 HG11 ILE 19 -0.689 -14.279 10.230 1.00 38.92 ATOM 295 HG12 ILE 19 -1.285 -12.760 10.878 1.00 34.24 ATOM 296 CG2 ILE 19 -2.844 -13.764 12.867 1.00 31.44 ATOM 297 HG21 ILE 19 -3.029 -14.270 13.796 1.00 40.50 ATOM 298 HG22 ILE 19 -3.753 -13.778 12.286 1.00 44.33 ATOM 299 HG23 ILE 19 -2.564 -12.739 13.067 1.00 30.42 ATOM 300 CD1 ILE 19 -2.715 -13.902 9.830 1.00 21.32 ATOM 301 HD11 ILE 19 -2.454 -13.514 8.857 1.00 12.12 ATOM 302 HD12 ILE 19 -3.530 -13.324 10.235 1.00 43.54 ATOM 303 HD13 ILE 19 -3.013 -14.932 9.733 1.00 14.22 ATOM 304 C ILE 19 -0.650 -15.158 14.249 1.00 1.55 ATOM 305 O ILE 19 -0.838 -14.526 15.290 1.00 11.02 ATOM 306 N LEU 20 -0.630 -16.485 14.203 1.00 1.02 ATOM 307 HN LEU 20 -0.479 -16.938 13.339 1.00 38.92 ATOM 308 CA LEU 20 -0.832 -17.295 15.399 1.00 31.42 ATOM 309 HA LEU 20 -1.745 -16.968 15.881 1.00 42.34 ATOM 310 CB LEU 20 -0.977 -18.771 15.021 1.00 11.52 ATOM 311 HB1 LEU 20 -0.931 -19.356 15.934 1.00 38.92 ATOM 312 HB2 LEU 20 -0.115 -19.036 14.421 1.00 13.54 ATOM 313 CG LEU 20 -2.251 -19.147 14.265 1.00 74.43 ATOM 314 HG LEU 20 -2.861 -18.275 14.143 1.00 72.05 ATOM 315 CD1 LEU 20 -1.913 -19.684 12.883 1.00 63.13 ATOM 316 HD11 LEU 20 -1.375 -18.932 12.326 1.00 74.34 ATOM 317 HD12 LEU 20 -2.825 -19.931 12.356 1.00 51.23 ATOM 318 HD13 LEU 20 -1.300 -20.570 12.974 1.00 15.10 ATOM 319 CD2 LEU 20 -3.057 -20.170 15.053 1.00 11.41 ATOM 320 HD21 LEU 20 -2.473 -21.071 15.187 1.00 65.40 ATOM 321 HD22 LEU 20 -3.966 -20.407 14.517 1.00 10.12 ATOM 322 HD23 LEU 20 -3.313 -19.762 16.021 1.00 32.32 ATOM 323 C LEU 20 0.325 -17.121 16.377 1.00 1.35 ATOM 324 O LEU 20 0.154 -17.255 17.589 1.00 12.53 ATOM 325 N LYS 21 1.504 -16.819 15.844 1.00 52.14 ATOM 326 HN LYS 21 1.592 -16.736 14.867 1.00 38.92 ATOM 327 CA LYS 21 2.690 -16.622 16.668 1.00 10.24 ATOM 328 HA LYS 21 2.773 -17.458 17.353 1.00 62.24 ATOM 329 CB LYS 21 3.944 -16.576 15.792 1.00 32.41 ATOM 330 HB1 LYS 21 4.796 -16.315 16.410 1.00 38.92 ATOM 331 HB2 LYS 21 3.813 -15.816 15.037 1.00 44.14 ATOM 332 CG LYS 21 4.249 -17.893 15.099 1.00 43.22 ATOM 333 HG1 LYS 21 3.431 -18.144 14.448 1.00 38.92 ATOM 334 HG2 LYS 21 4.354 -18.659 15.854 1.00 10.02 ATOM 335 CD LYS 21 5.528 -17.809 14.282 1.00 73.24 ATOM 336 HD1 LYS 21 6.299 -17.321 14.866 1.00 38.92 ATOM 337 HD2 LYS 21 5.337 -17.236 13.389 1.00 4.35 ATOM 338 CE LYS 21 6.025 -19.190 13.881 1.00 15.22 ATOM 339 HE1 LYS 21 6.751 -19.077 13.089 1.00 38.92 ATOM 340 HE2 LYS 21 5.197 -19.783 13.522 1.00 61.45 ATOM 341 NZ LYS 21 6.667 -19.900 15.021 1.00 32.53 ATOM 342 HZ1 LYS 21 5.978 -20.062 15.783 1.00 42.21 ATOM 343 HZ2 LYS 21 7.460 -19.340 15.398 1.00 73.13 ATOM 344 HZ3 LYS 21 7.033 -20.820 14.703 1.00 53.12 ATOM 345 C LYS 21 2.579 -15.337 17.483 1.00 41.35 ATOM 346 O LYS 21 2.910 -15.312 18.668 1.00 34.15 ATOM 347 N ILE 22 2.111 -14.273 16.839 1.00 2.40 ATOM 348 HN ILE 22 1.849 -14.357 15.892 1.00 38.92 ATOM 349 CA ILE 22 1.955 -12.986 17.505 1.00 13.50 ATOM 350 HA ILE 22 2.908 -12.711 17.934 1.00 21.43 ATOM 351 CB ILE 22 1.537 -11.885 16.512 1.00 14.01 ATOM 352 HB ILE 22 0.583 -12.163 16.083 1.00 14.23 ATOM 353 CG1 ILE 22 2.574 -11.755 15.395 1.00 72.03 ATOM 354 HG11 ILE 22 2.908 -12.724 15.076 1.00 38.92 ATOM 355 HG12 ILE 22 3.430 -11.203 15.759 1.00 40.53 ATOM 356 CG2 ILE 22 1.360 -10.558 17.235 1.00 21.24 ATOM 357 HG21 ILE 22 2.248 -10.331 17.810 1.00 11.34 ATOM 358 HG22 ILE 22 0.507 -10.607 17.894 1.00 24.05 ATOM 359 HG23 ILE 22 1.195 -9.769 16.514 1.00 32.31 ATOM 360 CD1 ILE 22 2.056 -11.032 14.171 1.00 4.42 ATOM 361 HD11 ILE 22 1.798 -10.017 14.432 1.00 44.34 ATOM 362 HD12 ILE 22 1.180 -11.540 13.794 1.00 44.34 ATOM 363 HD13 ILE 22 2.821 -11.023 13.409 1.00 33.50 ATOM 364 C ILE 22 0.920 -13.067 18.622 1.00 54.21 ATOM 365 O ILE 22 1.103 -12.494 19.696 1.00 3.33 ATOM 366 N HIS 23 -0.169 -13.784 18.362 1.00 62.23 ATOM 367 HN HIS 23 -0.268 -14.218 17.482 1.00 38.92 ATOM 368 CA HIS 23 -1.233 -13.943 19.346 1.00 32.12 ATOM 369 HA HIS 23 -1.447 -12.971 19.779 1.00 13.41 ATOM 370 CB HIS 23 -2.499 -14.480 18.678 1.00 51.03 ATOM 371 HB1 HIS 23 -3.175 -14.854 19.437 1.00 38.92 ATOM 372 HB2 HIS 23 -2.234 -15.289 18.013 1.00 30.43 ATOM 373 CG HIS 23 -3.242 -13.448 17.886 1.00 33.14 ATOM 374 ND1 HIS 23 -3.707 -12.271 18.434 1.00 42.34 ATOM 375 HD1 HIS 23 -3.605 -11.995 19.369 1.00 64.51 ATOM 376 CD2 HIS 23 -3.599 -13.421 16.581 1.00 34.21 ATOM 377 HD2 HIS 23 -3.406 -14.191 15.853 1.00 32.25 ATOM 378 CE1 HIS 23 -4.319 -11.565 17.500 1.00 70.14 ATOM 379 HE1 HIS 23 -4.782 -10.599 17.639 1.00 15.22 ATOM 380 NE2 HIS 23 -4.267 -12.241 16.366 1.00 53.11 ATOM 381 HE2 HIS 23 -4.724 -11.988 15.537 1.00 38.92 ATOM 382 C HIS 23 -0.799 -14.881 20.469 1.00 74.24 ATOM 383 O HIS 23 -1.291 -14.788 21.593 1.00 32.32 ATOM 384 N SER 24 0.124 -15.785 20.155 1.00 53.52 ATOM 385 HN SER 24 0.486 -15.822 19.240 1.00 38.92 ATOM 386 CA SER 24 0.620 -16.743 21.136 1.00 42.44 ATOM 387 HA SER 24 -0.194 -17.016 21.798 1.00 20.34 ATOM 388 CB SER 24 1.120 -18.008 20.436 1.00 34.21 ATOM 389 HB1 SER 24 0.403 -18.324 19.698 1.00 38.92 ATOM 390 HB2 SER 24 1.236 -18.770 21.159 1.00 53.31 ATOM 391 OG SER 24 2.368 -17.783 19.804 1.00 54.22 ATOM 392 HG SER 24 2.709 -18.613 19.464 1.00 35.42 ATOM 393 C SER 24 1.742 -16.133 21.971 1.00 62.13 ATOM 394 O SER 24 1.968 -16.533 23.113 1.00 61.01 ATOM 395 N ARG 25 2.442 -15.163 21.392 1.00 50.12 ATOM 396 HN ARG 25 2.238 -14.896 20.466 1.00 38.92 ATOM 397 CA ARG 25 3.541 -14.498 22.081 1.00 65.20 ATOM 398 HA ARG 25 4.330 -15.225 22.225 1.00 73.43 ATOM 399 CB ARG 25 4.067 -13.332 21.242 1.00 52.02 ATOM 400 HB1 ARG 25 4.463 -12.562 21.895 1.00 38.92 ATOM 401 HB2 ARG 25 3.251 -12.913 20.675 1.00 51.23 ATOM 402 CG ARG 25 5.174 -13.725 20.278 1.00 62.51 ATOM 403 HG1 ARG 25 4.872 -14.595 19.719 1.00 38.92 ATOM 404 HG2 ARG 25 6.062 -13.960 20.847 1.00 43.00 ATOM 405 CD ARG 25 5.492 -12.600 19.305 1.00 21.54 ATOM 406 HD1 ARG 25 4.581 -12.078 19.048 1.00 38.92 ATOM 407 HD2 ARG 25 5.913 -13.026 18.405 1.00 20.31 ATOM 408 NE ARG 25 6.433 -11.637 19.871 1.00 20.52 ATOM 409 HE ARG 25 6.077 -10.759 20.132 1.00 32.03 ATOM 410 CZ ARG 25 7.726 -11.889 20.046 1.00 14.32 ATOM 411 NH1 ARG 25 8.228 -13.066 19.701 1.00 42.03 ATOM 412 HH11 ARG 25 7.663 -13.783 19.305 1.00 64.51 ATOM 413 HH12 ARG 25 9.205 -13.244 19.841 1.00 22.24 ATOM 414 NH2 ARG 25 8.518 -10.961 20.567 1.00 24.03 ATOM 415 HH21 ARG 25 8.144 -10.069 20.830 1.00 62.34 ATOM 416 HH22 ARG 25 9.494 -11.148 20.701 1.00 72.03 ATOM 417 C ARG 25 3.099 -13.994 23.451 1.00 15.13 ATOM 418 O ARG 25 3.896 -13.923 24.387 1.00 41.14 ATOM 419 N LYS 26 1.822 -13.644 23.563 1.00 54.12 ATOM 420 HN LYS 26 1.229 -13.681 22.779 1.00 38.92 ATOM 421 CA LYS 26 1.271 -13.147 24.818 1.00 52.31 ATOM 422 HA LYS 26 2.061 -12.662 25.381 1.00 24.22 ATOM 423 CB LYS 26 0.165 -12.125 24.544 1.00 10.21 ATOM 424 HB1 LYS 26 -0.420 -11.969 25.445 1.00 38.92 ATOM 425 HB2 LYS 26 -0.486 -12.519 23.776 1.00 43.12 ATOM 426 CG LYS 26 0.685 -10.778 24.071 1.00 33.23 ATOM 427 HG1 LYS 26 -0.136 -10.231 23.627 1.00 38.92 ATOM 428 HG2 LYS 26 1.456 -10.933 23.329 1.00 20.22 ATOM 429 CD LYS 26 1.256 -9.966 25.221 1.00 12.14 ATOM 430 HD1 LYS 26 2.113 -10.484 25.626 1.00 38.92 ATOM 431 HD2 LYS 26 0.502 -9.857 25.988 1.00 11.54 ATOM 432 CE LYS 26 1.689 -8.581 24.765 1.00 74.12 ATOM 433 HE1 LYS 26 2.025 -8.023 25.627 1.00 38.92 ATOM 434 HE2 LYS 26 0.844 -8.075 24.319 1.00 12.25 ATOM 435 NZ LYS 26 2.797 -8.646 23.772 1.00 13.51 ATOM 436 HZ1 LYS 26 3.146 -7.687 23.570 1.00 4.54 ATOM 437 HZ2 LYS 26 2.463 -9.068 22.883 1.00 11.31 ATOM 438 HZ3 LYS 26 3.588 -9.217 24.141 1.00 35.44 ATOM 439 C LYS 26 0.722 -14.292 25.663 1.00 55.14 ATOM 440 O LYS 26 0.747 -14.237 26.892 1.00 44.53 ATOM 441 N MET 27 0.226 -15.329 24.995 1.00 4.11 ATOM 442 HN MET 27 0.204 -15.315 24.014 1.00 38.92 ATOM 443 CA MET 27 -0.326 -16.488 25.686 1.00 74.33 ATOM 444 HA MET 27 -0.747 -16.164 26.632 1.00 2.45 ATOM 445 CB MET 27 -1.439 -17.124 24.850 1.00 61.02 ATOM 446 HB1 MET 27 -1.728 -18.070 25.288 1.00 38.92 ATOM 447 HB2 MET 27 -1.047 -17.307 23.860 1.00 11.14 ATOM 448 CG MET 27 -2.687 -16.263 24.745 1.00 75.42 ATOM 449 HG1 MET 27 -2.414 -15.218 24.822 1.00 38.92 ATOM 450 HG2 MET 27 -3.350 -16.518 25.557 1.00 44.14 ATOM 451 SD MET 27 -3.569 -16.504 23.190 1.00 25.52 ATOM 452 CE MET 27 -3.548 -18.291 23.063 1.00 42.12 ATOM 453 HE1 MET 27 -2.536 -18.635 22.919 1.00 64.23 ATOM 454 HE2 MET 27 -4.144 -18.598 22.225 1.00 45.52 ATOM 455 HE3 MET 27 -3.949 -18.722 23.968 1.00 0.41 ATOM 456 C MET 27 0.761 -17.519 25.974 1.00 12.41 ATOM 457 O MET 27 1.915 -17.342 25.586 1.00 74.24 ATOM 458 N ASN 28 0.384 -18.594 26.658 1.00 22.22 ATOM 459 HN ASN 28 -0.554 -18.686 26.947 1.00 38.92 ATOM 460 CA ASN 28 1.328 -19.652 26.999 1.00 21.32 ATOM 461 HA ASN 28 2.338 -19.258 26.932 1.00 43.32 ATOM 462 CB ASN 28 1.085 -20.140 28.429 1.00 1.41 ATOM 463 HB1 ASN 28 1.558 -21.104 28.578 1.00 38.92 ATOM 464 HB2 ASN 28 0.022 -20.236 28.587 1.00 62.01 ATOM 465 CG ASN 28 1.633 -19.180 29.468 1.00 61.21 ATOM 466 OD1 ASN 28 2.554 -18.411 29.194 1.00 41.33 ATOM 467 ND2 ASN 28 1.068 -19.222 30.669 1.00 75.44 ATOM 468 HD21 ASN 28 0.339 -19.857 30.821 1.00 34.13 ATOM 469 HD22 ASN 28 1.406 -18.612 31.358 1.00 71.51 ATOM 470 C ASN 28 1.211 -20.821 26.025 1.00 11.41 ATOM 471 O ASN 28 0.121 -21.136 25.545 1.00 44.24 ATOM 472 N LEU 29 2.340 -21.460 25.738 1.00 15.22 ATOM 473 HN LEU 29 3.188 -21.159 26.142 1.00 38.92 ATOM 474 CA LEU 29 2.364 -22.594 24.822 1.00 64.54 ATOM 475 HA LEU 29 1.355 -22.935 24.661 1.00 32.23 ATOM 476 CB LEU 29 2.949 -22.173 23.472 1.00 1.25 ATOM 477 HB1 LEU 29 2.761 -22.972 22.775 1.00 38.92 ATOM 478 HB2 LEU 29 4.024 -22.068 23.589 1.00 1.43 ATOM 479 CG LEU 29 2.404 -20.872 22.882 1.00 71.02 ATOM 480 HG LEU 29 2.425 -20.098 23.634 1.00 55.13 ATOM 481 CD1 LEU 29 3.271 -20.407 21.722 1.00 25.44 ATOM 482 HD11 LEU 29 4.313 -20.613 21.934 1.00 32.23 ATOM 483 HD12 LEU 29 3.155 -19.347 21.592 1.00 51.13 ATOM 484 HD13 LEU 29 2.988 -20.917 20.810 1.00 52.25 ATOM 485 CD2 LEU 29 0.962 -21.054 22.432 1.00 53.03 ATOM 486 HD21 LEU 29 0.414 -21.639 23.157 1.00 13.24 ATOM 487 HD22 LEU 29 0.933 -21.561 21.478 1.00 45.53 ATOM 488 HD23 LEU 29 0.491 -20.091 22.340 1.00 34.31 ATOM 489 C LEU 29 3.177 -23.747 25.403 1.00 4.43 ATOM 490 O LEU 29 4.135 -23.532 26.148 1.00 34.20 ATOM 491 N THR 30 2.791 -24.971 25.057 1.00 45.31 ATOM 492 HN THR 30 2.013 -25.080 24.460 1.00 38.92 ATOM 493 CA THR 30 3.485 -26.157 25.543 1.00 15.03 ATOM 494 HA THR 30 3.410 -26.174 26.622 1.00 63.41 ATOM 495 CB THR 30 2.842 -27.446 24.998 1.00 32.30 ATOM 496 HB THR 30 1.796 -27.447 25.263 1.00 11.34 ATOM 497 OG1 THR 30 3.472 -28.592 25.581 1.00 62.31 ATOM 498 HG1 THR 30 3.111 -28.748 26.457 1.00 22.30 ATOM 499 CG2 THR 30 2.961 -27.511 23.483 1.00 71.41 ATOM 500 HG21 THR 30 2.388 -26.709 23.050 1.00 70.11 ATOM 501 HG22 THR 30 2.561 -28.454 23.140 1.00 32.33 ATOM 502 HG23 THR 30 3.991 -27.434 23.173 1.00 12.03 ATOM 503 C THR 30 4.958 -26.132 25.152 1.00 74.20 ATOM 504 O THR 30 5.380 -25.311 24.338 1.00 54.12 ATOM 505 N ARG 31 5.736 -27.038 25.736 1.00 15.53 ATOM 506 HN ARG 31 5.337 -27.681 26.371 1.00 38.92 ATOM 507 CA ARG 31 7.162 -27.119 25.448 1.00 5.35 ATOM 508 HA ARG 31 7.550 -26.108 25.348 1.00 55.43 ATOM 509 CB ARG 31 7.897 -27.818 26.594 1.00 15.11 ATOM 510 HB1 ARG 31 8.838 -28.214 26.229 1.00 38.92 ATOM 511 HB2 ARG 31 7.296 -28.643 26.953 1.00 70.24 ATOM 512 CG ARG 31 8.214 -26.901 27.764 1.00 53.31 ATOM 513 HG1 ARG 31 8.699 -26.007 27.396 1.00 38.92 ATOM 514 HG2 ARG 31 8.880 -27.419 28.439 1.00 62.42 ATOM 515 CD ARG 31 6.955 -26.507 28.520 1.00 13.14 ATOM 516 HD1 ARG 31 6.308 -27.371 28.617 1.00 38.92 ATOM 517 HD2 ARG 31 6.444 -25.739 27.958 1.00 10.24 ATOM 518 NE ARG 31 7.255 -25.999 29.856 1.00 1.22 ATOM 519 HE ARG 31 8.192 -26.028 30.162 1.00 71.03 ATOM 520 CZ ARG 31 6.336 -25.504 30.678 1.00 22.21 ATOM 521 NH1 ARG 31 5.066 -25.452 30.303 1.00 54.10 ATOM 522 HH11 ARG 31 4.775 -25.780 29.405 1.00 52.05 ATOM 523 HH12 ARG 31 4.379 -25.077 30.929 1.00 25.03 ATOM 524 NH2 ARG 31 6.688 -25.061 31.879 1.00 74.15 ATOM 525 HH21 ARG 31 7.647 -25.099 32.169 1.00 65.21 ATOM 526 HH22 ARG 31 5.997 -24.687 32.501 1.00 14.02 ATOM 527 C ARG 31 7.412 -27.864 24.141 1.00 73.05 ATOM 528 O ARG 31 7.567 -29.084 24.129 1.00 32.44 ATOM 529 N GLY 32 7.448 -27.120 23.039 1.00 62.10 ATOM 530 HN GLY 32 7.341 -26.145 23.103 1.00 38.92 ATOM 531 CA GLY 32 7.678 -27.727 21.741 1.00 20.41 ATOM 532 HA1 GLY 32 8.004 -28.754 21.848 1.00 38.92 ATOM 533 HA2 GLY 32 8.461 -27.174 21.243 1.00 72.50 ATOM 534 C GLY 32 6.444 -27.699 20.861 1.00 20.52 ATOM 535 O GLY 32 6.233 -28.600 20.049 1.00 74.32 ATOM 536 N ILE 33 5.627 -26.664 21.024 1.00 72.53 ATOM 537 HN ILE 33 5.850 -25.963 21.673 1.00 38.92 ATOM 538 CA ILE 33 4.407 -26.524 20.238 1.00 63.02 ATOM 539 HA ILE 33 3.855 -27.457 20.313 1.00 23.22 ATOM 540 CB ILE 33 3.515 -25.392 20.780 1.00 1.04 ATOM 541 HB ILE 33 3.396 -25.523 21.832 1.00 64.03 ATOM 542 CG1 ILE 33 2.144 -25.425 20.103 1.00 15.11 ATOM 543 HG11 ILE 33 1.681 -26.377 20.292 1.00 38.92 ATOM 544 HG12 ILE 33 2.253 -25.285 19.040 1.00 70.41 ATOM 545 CG2 ILE 33 4.184 -24.042 20.568 1.00 24.32 ATOM 546 HG21 ILE 33 5.181 -24.055 20.984 1.00 71.15 ATOM 547 HG22 ILE 33 3.615 -23.275 21.054 1.00 21.53 ATOM 548 HG23 ILE 33 4.242 -23.811 19.515 1.00 40.02 ATOM 549 CD1 ILE 33 1.198 -24.354 20.601 1.00 61.04 ATOM 550 HD11 ILE 33 1.152 -24.375 21.681 1.00 34.40 ATOM 551 HD12 ILE 33 0.230 -24.552 20.200 1.00 11.52 ATOM 552 HD13 ILE 33 1.535 -23.383 20.270 1.00 12.23 ATOM 553 C ILE 33 4.726 -26.247 18.773 1.00 44.34 ATOM 554 O ILE 33 5.677 -25.531 18.459 1.00 74.24 ATOM 555 N ASN 34 3.924 -26.817 17.880 1.00 70.13 ATOM 556 HN ASN 34 3.175 -27.380 18.183 1.00 38.92 ATOM 557 CA ASN 34 4.120 -26.630 16.447 1.00 70.34 ATOM 558 HA ASN 34 4.982 -25.987 16.292 1.00 22.32 ATOM 559 CB ASN 34 4.380 -27.976 15.767 1.00 44.02 ATOM 560 HB1 ASN 34 3.467 -28.392 15.387 1.00 38.92 ATOM 561 HB2 ASN 34 4.796 -28.664 16.491 1.00 23.13 ATOM 562 CG ASN 34 5.370 -27.864 14.623 1.00 25.15 ATOM 563 OD1 ASN 34 6.562 -27.640 14.839 1.00 73.41 ATOM 564 ND2 ASN 34 4.880 -28.019 13.399 1.00 22.42 ATOM 565 HD21 ASN 34 3.929 -28.198 13.289 1.00 34.02 ATOM 566 HD22 ASN 34 5.503 -27.946 12.646 1.00 42.34 ATOM 567 C ASN 34 2.906 -25.955 15.815 1.00 22.31 ATOM 568 O ASN 34 1.950 -26.621 15.416 1.00 54.30 ATOM 569 N LEU 35 2.952 -24.631 15.727 1.00 42.40 ATOM 570 HN LEU 35 3.751 -24.153 16.056 1.00 38.92 ATOM 571 CA LEU 35 1.857 -23.864 15.143 1.00 31.11 ATOM 572 HA LEU 35 0.937 -24.214 15.569 1.00 64.44 ATOM 573 CB LEU 35 2.006 -22.381 15.487 1.00 33.23 ATOM 574 HB1 LEU 35 1.187 -21.829 15.041 1.00 38.92 ATOM 575 HB2 LEU 35 2.930 -22.050 15.037 1.00 0.42 ATOM 576 CG LEU 35 2.087 -22.043 16.976 1.00 14.43 ATOM 577 HG LEU 35 2.634 -22.817 17.497 1.00 70.04 ATOM 578 CD1 LEU 35 2.834 -20.735 17.186 1.00 1.05 ATOM 579 HD11 LEU 35 2.308 -19.930 16.692 1.00 34.41 ATOM 580 HD12 LEU 35 3.831 -20.817 16.775 1.00 71.11 ATOM 581 HD13 LEU 35 2.903 -20.522 18.244 1.00 12.11 ATOM 582 CD2 LEU 35 0.693 -21.966 17.582 1.00 11.33 ATOM 583 HD21 LEU 35 0.125 -21.184 17.095 1.00 45.52 ATOM 584 HD22 LEU 35 0.768 -21.750 18.639 1.00 30.15 ATOM 585 HD23 LEU 35 0.187 -22.912 17.449 1.00 1.21 ATOM 586 C LEU 35 1.813 -24.044 13.629 1.00 35.51 ATOM 587 O LEU 35 0.753 -23.937 13.012 1.00 34.51 ATOM 588 N ARG 36 2.970 -24.321 13.037 1.00 11.31 ATOM 589 HN ARG 36 3.794 -24.375 13.573 1.00 38.92 ATOM 590 CA ARG 36 3.063 -24.517 11.596 1.00 70.15 ATOM 591 HA ARG 36 2.779 -23.601 11.115 1.00 43.32 ATOM 592 CB ARG 36 4.496 -24.876 11.200 1.00 63.52 ATOM 593 HB1 ARG 36 4.824 -25.711 11.801 1.00 38.92 ATOM 594 HB2 ARG 36 5.131 -24.024 11.406 1.00 13.22 ATOM 595 CG ARG 36 4.647 -25.253 9.735 1.00 25.31 ATOM 596 HG1 ARG 36 4.191 -24.488 9.122 1.00 38.92 ATOM 597 HG2 ARG 36 4.159 -26.200 9.558 1.00 41.15 ATOM 598 CD ARG 36 6.110 -25.389 9.343 1.00 64.11 ATOM 599 HD1 ARG 36 6.495 -26.307 9.764 1.00 38.92 ATOM 600 HD2 ARG 36 6.667 -24.549 9.741 1.00 10.15 ATOM 601 NE ARG 36 6.288 -25.418 7.894 1.00 43.54 ATOM 602 HE ARG 36 5.491 -25.290 7.328 1.00 11.02 ATOM 603 CZ ARG 36 7.462 -25.605 7.301 1.00 61.22 ATOM 604 NH1 ARG 36 8.556 -25.781 8.029 1.00 11.42 ATOM 605 HH11 ARG 36 8.522 -25.777 9.028 1.00 35.33 ATOM 606 HH12 ARG 36 9.438 -25.922 7.573 1.00 4.13 ATOM 607 NH2 ARG 36 7.543 -25.618 5.976 1.00 23.24 ATOM 608 HH21 ARG 36 6.720 -25.487 5.420 1.00 52.51 ATOM 609 HH22 ARG 36 8.428 -25.759 5.526 1.00 31.32 ATOM 610 C ARG 36 2.106 -25.612 11.133 1.00 25.42 ATOM 611 O ARG 36 1.442 -25.479 10.106 1.00 52.55 ATOM 612 N LYS 37 2.042 -26.697 11.899 1.00 44.52 ATOM 613 HN LYS 37 2.587 -26.744 12.715 1.00 38.92 ATOM 614 CA LYS 37 1.167 -27.816 11.570 1.00 45.43 ATOM 615 HA LYS 37 1.352 -28.102 10.542 1.00 1.34 ATOM 616 CB LYS 37 1.474 -29.012 12.473 1.00 30.11 ATOM 617 HB1 LYS 37 1.455 -28.689 13.505 1.00 38.92 ATOM 618 HB2 LYS 37 2.467 -29.367 12.238 1.00 45.25 ATOM 619 CG LYS 37 0.513 -30.174 12.290 1.00 20.14 ATOM 620 HG1 LYS 37 1.061 -31.098 12.418 1.00 38.92 ATOM 621 HG2 LYS 37 0.100 -30.148 11.288 1.00 44.44 ATOM 622 CD LYS 37 -0.631 -30.114 13.288 1.00 12.34 ATOM 623 HD1 LYS 37 -1.528 -30.446 12.795 1.00 38.92 ATOM 624 HD2 LYS 37 -0.774 -29.106 13.644 1.00 34.33 ATOM 625 CE LYS 37 -0.372 -31.011 14.489 1.00 70.55 ATOM 626 HE1 LYS 37 -0.868 -30.588 15.350 1.00 38.92 ATOM 627 HE2 LYS 37 0.690 -31.068 14.679 1.00 74.42 ATOM 628 NZ LYS 37 -0.884 -32.392 14.269 1.00 34.41 ATOM 629 HZ1 LYS 37 -0.417 -32.824 13.444 1.00 3.11 ATOM 630 HZ2 LYS 37 -1.912 -32.376 14.103 1.00 23.04 ATOM 631 HZ3 LYS 37 -0.692 -32.979 15.106 1.00 43.12 ATOM 632 C LYS 37 -0.299 -27.420 11.712 1.00 22.01 ATOM 633 O LYS 37 -1.170 -27.979 11.045 1.00 64.04 ATOM 634 N ILE 38 -0.564 -26.453 12.584 1.00 30.20 ATOM 635 HN ILE 38 0.169 -26.038 13.072 1.00 38.92 ATOM 636 CA ILE 38 -1.925 -25.982 12.811 1.00 45.10 ATOM 637 HA ILE 38 -2.544 -26.840 13.047 1.00 23.40 ATOM 638 CB ILE 38 -1.988 -24.993 13.990 1.00 55.33 ATOM 639 HB ILE 38 -1.487 -24.081 13.709 1.00 62.22 ATOM 640 CG1 ILE 38 -1.292 -25.583 15.218 1.00 71.04 ATOM 641 HG11 ILE 38 -1.362 -24.891 16.041 1.00 38.92 ATOM 642 HG12 ILE 38 -0.257 -25.749 14.997 1.00 73.24 ATOM 643 CG2 ILE 38 -3.434 -24.644 14.310 1.00 11.25 ATOM 644 HG21 ILE 38 -3.868 -24.111 13.479 1.00 72.32 ATOM 645 HG22 ILE 38 -3.471 -24.008 15.180 1.00 70.05 ATOM 646 HG23 ILE 38 -4.005 -25.539 14.495 1.00 0.53 ATOM 647 CD1 ILE 38 -1.875 -26.905 15.665 1.00 24.31 ATOM 648 HD11 ILE 38 -2.900 -26.999 15.367 1.00 24.42 ATOM 649 HD12 ILE 38 -1.814 -26.972 16.741 1.00 21.43 ATOM 650 HD13 ILE 38 -1.302 -27.709 15.230 1.00 33.43 ATOM 651 C ILE 38 -2.488 -25.307 11.565 1.00 63.43 ATOM 652 O ILE 38 -3.531 -25.707 11.048 1.00 2.31 ATOM 653 N ALA 39 -1.789 -24.283 11.086 1.00 61.42 ATOM 654 HN ALA 39 -0.960 -24.007 11.548 1.00 38.92 ATOM 655 CA ALA 39 -2.217 -23.556 9.898 1.00 42.44 ATOM 656 HA ALA 39 -3.152 -23.076 10.121 1.00 33.33 ATOM 657 CB ALA 39 -1.204 -22.476 9.547 1.00 50.31 ATOM 658 HB1 ALA 39 -0.335 -22.915 9.074 1.00 5.34 ATOM 659 HB2 ALA 39 -0.897 -21.966 10.449 1.00 5.21 ATOM 660 HB3 ALA 39 -1.659 -21.767 8.882 1.00 25.14 ATOM 661 C ALA 39 -2.416 -24.500 8.717 1.00 21.32 ATOM 662 O ALA 39 -3.252 -24.254 7.848 1.00 22.34 ATOM 663 N GLU 40 -1.642 -25.581 8.693 1.00 41.23 ATOM 664 HN GLU 40 -0.960 -25.712 9.391 1.00 38.92 ATOM 665 CA GLU 40 -1.733 -26.561 7.617 1.00 34.00 ATOM 666 HA GLU 40 -1.565 -26.046 6.679 1.00 54.25 ATOM 667 CB GLU 40 -0.674 -27.650 7.798 1.00 43.14 ATOM 668 HB1 GLU 40 -1.056 -28.588 7.408 1.00 38.92 ATOM 669 HB2 GLU 40 -0.466 -27.775 8.846 1.00 0.44 ATOM 670 CG GLU 40 0.639 -27.343 7.097 1.00 24.33 ATOM 671 HG1 GLU 40 1.277 -26.803 7.781 1.00 38.92 ATOM 672 HG2 GLU 40 0.452 -26.731 6.223 1.00 43.24 ATOM 673 CD GLU 40 1.368 -28.596 6.649 1.00 13.40 ATOM 674 OE1 GLU 40 1.918 -28.592 5.528 1.00 42.31 ATOM 675 OE2 GLU 40 1.387 -29.579 7.418 1.00 1.13 ATOM 676 C GLU 40 -3.123 -27.191 7.571 1.00 3.35 ATOM 677 O GLU 40 -3.559 -27.686 6.531 1.00 3.23 ATOM 678 N LEU 41 -3.813 -27.169 8.706 1.00 11.42 ATOM 679 HN LEU 41 -3.414 -26.802 9.520 1.00 38.92 ATOM 680 CA LEU 41 -5.153 -27.737 8.798 1.00 73.45 ATOM 681 HA LEU 41 -5.275 -28.483 8.021 1.00 61.32 ATOM 682 CB LEU 41 -5.347 -28.421 10.152 1.00 71.51 ATOM 683 HB1 LEU 41 -6.297 -28.942 10.137 1.00 38.92 ATOM 684 HB2 LEU 41 -5.405 -27.641 10.907 1.00 43.40 ATOM 685 CG LEU 41 -4.254 -29.406 10.569 1.00 31.01 ATOM 686 HG LEU 41 -3.285 -29.006 10.313 1.00 70.14 ATOM 687 CD1 LEU 41 -4.275 -29.621 12.075 1.00 53.35 ATOM 688 HD11 LEU 41 -3.538 -30.359 12.349 1.00 44.25 ATOM 689 HD12 LEU 41 -5.253 -29.967 12.380 1.00 31.05 ATOM 690 HD13 LEU 41 -4.052 -28.689 12.575 1.00 15.11 ATOM 691 CD2 LEU 41 -4.421 -30.730 9.837 1.00 11.23 ATOM 692 HD21 LEU 41 -3.628 -31.406 10.125 1.00 4.32 ATOM 693 HD22 LEU 41 -4.375 -30.562 8.770 1.00 53.13 ATOM 694 HD23 LEU 41 -5.376 -31.169 10.090 1.00 52.00 ATOM 695 C LEU 41 -6.216 -26.661 8.602 1.00 72.01 ATOM 696 O LEU 41 -7.342 -26.792 9.082 1.00 62.13 ATOM 697 N MET 42 -5.851 -25.598 7.892 1.00 31.24 ATOM 698 HN MET 42 -4.957 -25.529 7.515 1.00 38.92 ATOM 699 CA MET 42 -6.775 -24.501 7.630 1.00 0.34 ATOM 700 HA MET 42 -7.731 -24.711 8.094 1.00 72.11 ATOM 701 CB MET 42 -6.239 -23.200 8.232 1.00 32.11 ATOM 702 HB1 MET 42 -6.846 -22.374 7.879 1.00 38.92 ATOM 703 HB2 MET 42 -5.228 -23.050 7.900 1.00 43.11 ATOM 704 CG MET 42 -6.264 -23.178 9.752 1.00 64.32 ATOM 705 HG1 MET 42 -5.672 -24.001 10.125 1.00 38.92 ATOM 706 HG2 MET 42 -7.282 -23.292 10.065 1.00 33.54 ATOM 707 SD MET 42 -5.619 -21.639 10.435 1.00 54.12 ATOM 708 CE MET 42 -7.141 -20.766 10.796 1.00 50.44 ATOM 709 HE1 MET 42 -6.945 -19.990 11.514 1.00 42.14 ATOM 710 HE2 MET 42 -7.866 -21.456 11.202 1.00 33.01 ATOM 711 HE3 MET 42 -7.529 -20.328 9.888 1.00 75.12 ATOM 712 C MET 42 -7.001 -24.326 6.132 1.00 62.20 ATOM 713 O MET 42 -6.540 -23.364 5.518 1.00 3.54 ATOM 714 N PRO 43 -7.727 -25.278 5.527 1.00 23.21 ATOM 715 CA PRO 43 -8.030 -25.251 4.093 1.00 20.21 ATOM 716 HA PRO 43 -7.132 -25.152 3.499 1.00 61.23 ATOM 717 CB PRO 43 -8.663 -26.622 3.839 1.00 42.54 ATOM 718 HB1 PRO 43 -7.896 -27.312 3.522 1.00 38.92 ATOM 719 HB2 PRO 43 -9.429 -26.565 3.075 1.00 23.43 ATOM 720 CG PRO 43 -9.228 -27.028 5.155 1.00 33.15 ATOM 721 HG1 PRO 43 -9.251 -28.105 5.228 1.00 38.92 ATOM 722 HG2 PRO 43 -10.223 -26.622 5.268 1.00 12.12 ATOM 723 CD PRO 43 -8.308 -26.454 6.197 1.00 63.14 ATOM 724 HD1 PRO 43 -7.547 -27.174 6.440 1.00 38.92 ATOM 725 HD2 PRO 43 -8.868 -26.174 7.075 1.00 44.11 ATOM 726 C PRO 43 -9.006 -24.138 3.728 1.00 44.31 ATOM 727 O PRO 43 -10.213 -24.358 3.649 1.00 34.42 ATOM 728 N GLY 44 -8.473 -22.940 3.505 1.00 12.20 ATOM 729 HN GLY 44 -7.500 -22.811 3.580 1.00 38.92 ATOM 730 CA GLY 44 -9.312 -21.810 3.150 1.00 2.32 ATOM 731 HA1 GLY 44 -10.215 -22.151 2.657 1.00 38.92 ATOM 732 HA2 GLY 44 -8.765 -21.184 2.459 1.00 54.13 ATOM 733 C GLY 44 -9.699 -20.974 4.354 1.00 21.44 ATOM 734 O GLY 44 -10.810 -21.094 4.870 1.00 50.34 ATOM 735 N ALA 45 -8.779 -20.127 4.805 1.00 34.43 ATOM 736 HN ALA 45 -7.898 -20.085 4.361 1.00 38.92 ATOM 737 CA ALA 45 -9.030 -19.269 5.956 1.00 15.12 ATOM 738 HA ALA 45 -10.095 -19.069 6.017 1.00 72.24 ATOM 739 CB ALA 45 -8.616 -19.973 7.240 1.00 51.40 ATOM 740 HB1 ALA 45 -7.537 -20.001 7.315 1.00 74.52 ATOM 741 HB2 ALA 45 -8.992 -20.979 7.229 1.00 3.43 ATOM 742 HB3 ALA 45 -9.021 -19.446 8.088 1.00 74.42 ATOM 743 C ALA 45 -8.297 -17.939 5.819 1.00 12.23 ATOM 744 O ALA 45 -7.199 -17.879 5.266 1.00 53.50 ATOM 745 N SER 46 -8.912 -16.875 6.326 1.00 4.33 ATOM 746 HN SER 46 -9.789 -16.981 6.763 1.00 38.92 ATOM 747 CA SER 46 -8.319 -15.544 6.256 1.00 23.33 ATOM 748 HA SER 46 -7.485 -15.558 5.565 1.00 22.34 ATOM 749 CB SER 46 -9.345 -14.532 5.744 1.00 0.11 ATOM 750 HB1 SER 46 -9.030 -13.521 5.954 1.00 38.92 ATOM 751 HB2 SER 46 -10.295 -14.711 6.225 1.00 23.52 ATOM 752 OG SER 46 -9.522 -14.649 4.343 1.00 62.40 ATOM 753 HG SER 46 -10.109 -15.385 4.151 1.00 61.10 ATOM 754 C SER 46 -7.797 -15.110 7.622 1.00 2.45 ATOM 755 O SER 46 -7.846 -15.869 8.589 1.00 73.31 ATOM 756 N GLY 47 -7.296 -13.880 7.694 1.00 41.01 ATOM 757 HN GLY 47 -7.239 -13.317 6.892 1.00 38.92 ATOM 758 CA GLY 47 -6.771 -13.364 8.945 1.00 75.11 ATOM 759 HA1 GLY 47 -6.459 -12.341 8.795 1.00 38.92 ATOM 760 HA2 GLY 47 -5.911 -13.951 9.237 1.00 10.44 ATOM 761 C GLY 47 -7.795 -13.403 10.062 1.00 2.24 ATOM 762 O GLY 47 -7.479 -13.783 11.189 1.00 10.14 ATOM 763 N ALA 48 -9.025 -13.007 9.751 1.00 45.25 ATOM 764 HN ALA 48 -9.218 -12.703 8.832 1.00 38.92 ATOM 765 CA ALA 48 -10.098 -12.998 10.737 1.00 64.10 ATOM 766 HA ALA 48 -9.808 -12.339 11.545 1.00 62.41 ATOM 767 CB ALA 48 -11.376 -12.450 10.121 1.00 34.20 ATOM 768 HB1 ALA 48 -11.188 -11.462 9.728 1.00 22.33 ATOM 769 HB2 ALA 48 -12.149 -12.394 10.875 1.00 11.44 ATOM 770 HB3 ALA 48 -11.701 -13.098 9.319 1.00 63.42 ATOM 771 C ALA 48 -10.336 -14.395 11.301 1.00 0.41 ATOM 772 O ALA 48 -10.677 -14.550 12.473 1.00 74.11 ATOM 773 N GLU 49 -10.154 -15.407 10.459 1.00 74.11 ATOM 774 HN GLU 49 -9.887 -15.227 9.527 1.00 38.92 ATOM 775 CA GLU 49 -10.352 -16.791 10.875 1.00 42.32 ATOM 776 HA GLU 49 -11.269 -16.845 11.446 1.00 35.11 ATOM 777 CB GLU 49 -10.458 -17.704 9.652 1.00 63.12 ATOM 778 HB1 GLU 49 -10.192 -18.719 9.929 1.00 38.92 ATOM 779 HB2 GLU 49 -9.766 -17.363 8.899 1.00 31.02 ATOM 780 CG GLU 49 -11.846 -17.737 9.035 1.00 41.41 ATOM 781 HG1 GLU 49 -11.792 -18.266 8.094 1.00 38.92 ATOM 782 HG2 GLU 49 -12.178 -16.724 8.857 1.00 21.20 ATOM 783 CD GLU 49 -12.862 -18.431 9.921 1.00 40.21 ATOM 784 OE1 GLU 49 -13.097 -19.640 9.717 1.00 35.34 ATOM 785 OE2 GLU 49 -13.422 -17.765 10.817 1.00 24.20 ATOM 786 C GLU 49 -9.210 -17.257 11.774 1.00 52.41 ATOM 787 O GLU 49 -9.394 -18.120 12.632 1.00 23.01 ATOM 788 N VAL 50 -8.031 -16.679 11.570 1.00 4.21 ATOM 789 HN VAL 50 -7.938 -15.999 10.870 1.00 38.92 ATOM 790 CA VAL 50 -6.859 -17.034 12.362 1.00 44.54 ATOM 791 HA VAL 50 -6.742 -18.107 12.337 1.00 60.52 ATOM 792 CB VAL 50 -5.580 -16.396 11.788 1.00 44.44 ATOM 793 HB VAL 50 -5.689 -15.322 11.812 1.00 51.13 ATOM 794 CG1 VAL 50 -4.372 -16.766 12.634 1.00 4.14 ATOM 795 HG11 VAL 50 -4.440 -17.805 12.927 1.00 35.31 ATOM 796 HG12 VAL 50 -4.341 -16.144 13.516 1.00 32.55 ATOM 797 HG13 VAL 50 -3.470 -16.622 12.068 1.00 24.15 ATOM 798 CG2 VAL 50 -5.377 -16.819 10.341 1.00 63.04 ATOM 799 HG21 VAL 50 -6.178 -16.450 9.745 1.00 11.00 ATOM 800 HG22 VAL 50 -5.350 -17.897 10.277 1.00 13.01 ATOM 801 HG23 VAL 50 -4.447 -16.420 9.970 1.00 64.31 ATOM 802 C VAL 50 -7.023 -16.598 13.813 1.00 14.32 ATOM 803 O VAL 50 -6.726 -17.354 14.738 1.00 33.20 ATOM 804 N LYS 51 -7.500 -15.372 14.007 1.00 64.42 ATOM 805 HN LYS 51 -7.710 -14.805 13.227 1.00 38.92 ATOM 806 CA LYS 51 -7.707 -14.834 15.346 1.00 24.20 ATOM 807 HA LYS 51 -6.747 -14.800 15.829 1.00 35.41 ATOM 808 CB LYS 51 -8.275 -13.416 15.266 1.00 51.34 ATOM 809 HB1 LYS 51 -9.340 -13.479 15.099 1.00 38.92 ATOM 810 HB2 LYS 51 -7.820 -12.908 14.423 1.00 50.34 ATOM 811 CG LYS 51 -8.016 -12.585 16.511 1.00 60.13 ATOM 812 HG1 LYS 51 -6.949 -12.512 16.665 1.00 38.92 ATOM 813 HG2 LYS 51 -8.470 -13.074 17.361 1.00 71.13 ATOM 814 CD LYS 51 -8.591 -11.185 16.376 1.00 4.15 ATOM 815 HD1 LYS 51 -8.130 -10.690 15.532 1.00 38.92 ATOM 816 HD2 LYS 51 -8.369 -10.634 17.278 1.00 54.24 ATOM 817 CE LYS 51 -10.099 -11.217 16.186 1.00 72.42 ATOM 818 HE1 LYS 51 -10.515 -10.321 16.624 1.00 38.92 ATOM 819 HE2 LYS 51 -10.517 -12.081 16.689 1.00 75.11 ATOM 820 NZ LYS 51 -10.475 -11.262 14.746 1.00 55.13 ATOM 821 HZ1 LYS 51 -11.013 -10.407 14.495 1.00 1.21 ATOM 822 HZ2 LYS 51 -11.075 -12.091 14.563 1.00 32.32 ATOM 823 HZ3 LYS 51 -9.638 -11.319 14.127 1.00 53.51 ATOM 824 C LYS 51 -8.647 -15.725 16.151 1.00 31.31 ATOM 825 O LYS 51 -8.583 -15.763 17.379 1.00 2.31 ATOM 826 N GLY 52 -9.520 -16.443 15.450 1.00 22.13 ATOM 827 HN GLY 52 -9.580 -16.352 14.476 1.00 38.92 ATOM 828 CA GLY 52 -10.460 -17.325 16.117 1.00 62.21 ATOM 829 HA1 GLY 52 -11.217 -17.621 15.406 1.00 38.92 ATOM 830 HA2 GLY 52 -10.939 -16.796 16.932 1.00 11.31 ATOM 831 C GLY 52 -9.796 -18.573 16.664 1.00 61.33 ATOM 832 O GLY 52 -10.211 -19.106 17.693 1.00 70.10 ATOM 833 N VAL 53 -8.762 -19.043 15.973 1.00 40.03 ATOM 834 HN VAL 53 -8.472 -18.579 15.154 1.00 38.92 ATOM 835 CA VAL 53 -8.039 -20.237 16.395 1.00 55.03 ATOM 836 HA VAL 53 -8.759 -21.023 16.563 1.00 21.42 ATOM 837 CB VAL 53 -7.055 -20.710 15.309 1.00 71.53 ATOM 838 HB VAL 53 -6.341 -19.919 15.123 1.00 1.02 ATOM 839 CG1 VAL 53 -6.291 -21.939 15.779 1.00 54.00 ATOM 840 HG11 VAL 53 -5.665 -21.691 16.622 1.00 2.32 ATOM 841 HG12 VAL 53 -5.663 -22.303 14.976 1.00 43.32 ATOM 842 HG13 VAL 53 -6.986 -22.714 16.062 1.00 12.05 ATOM 843 CG2 VAL 53 -7.793 -20.996 14.009 1.00 21.24 ATOM 844 HG21 VAL 53 -8.625 -21.662 14.197 1.00 4.00 ATOM 845 HG22 VAL 53 -7.117 -21.463 13.311 1.00 73.35 ATOM 846 HG23 VAL 53 -8.160 -20.072 13.589 1.00 15.33 ATOM 847 C VAL 53 -7.271 -19.986 17.687 1.00 20.22 ATOM 848 O VAL 53 -7.428 -20.716 18.667 1.00 73.44 ATOM 849 N CYS 54 -6.440 -18.950 17.683 1.00 13.24 ATOM 850 HN CYS 54 -6.353 -18.409 16.862 1.00 38.92 ATOM 851 CA CYS 54 -5.646 -18.602 18.856 1.00 31.14 ATOM 852 HA CYS 54 -5.038 -19.458 19.117 1.00 1.10 ATOM 853 CB CYS 54 -4.724 -17.423 18.543 1.00 54.44 ATOM 854 HB1 CYS 54 -4.100 -17.680 17.699 1.00 38.92 ATOM 855 HB2 CYS 54 -4.095 -17.224 19.399 1.00 63.31 ATOM 856 SG CYS 54 -5.597 -15.893 18.133 1.00 3.32 ATOM 857 HG CYS 54 -5.416 -15.039 19.130 1.00 54.25 ATOM 858 C CYS 54 -6.545 -18.260 20.040 1.00 52.22 ATOM 859 O CYS 54 -6.204 -18.529 21.192 1.00 21.20 ATOM 860 N THR 55 -7.697 -17.662 19.748 1.00 24.33 ATOM 861 HN THR 55 -7.934 -17.481 18.810 1.00 38.92 ATOM 862 CA THR 55 -8.644 -17.280 20.788 1.00 60.12 ATOM 863 HA THR 55 -8.095 -16.816 21.600 1.00 64.02 ATOM 864 CB THR 55 -9.670 -16.258 20.264 1.00 35.01 ATOM 865 HB THR 55 -10.187 -16.689 19.417 1.00 41.41 ATOM 866 OG1 THR 55 -9.002 -15.063 19.844 1.00 21.41 ATOM 867 HG1 THR 55 -9.538 -14.606 19.191 1.00 11.30 ATOM 868 CG2 THR 55 -10.695 -15.921 21.337 1.00 22.42 ATOM 869 HG21 THR 55 -11.401 -16.732 21.437 1.00 31.11 ATOM 870 HG22 THR 55 -11.225 -15.025 21.050 1.00 33.54 ATOM 871 HG23 THR 55 -10.201 -15.752 22.285 1.00 54.41 ATOM 872 C THR 55 -9.386 -18.496 21.330 1.00 60.54 ATOM 873 O THR 55 -9.616 -18.608 22.533 1.00 32.42 ATOM 874 N GLU 56 -9.757 -19.405 20.433 1.00 20.43 ATOM 875 HN GLU 56 -9.553 -19.258 19.479 1.00 38.92 ATOM 876 CA GLU 56 -10.473 -20.614 20.824 1.00 75.05 ATOM 877 HA GLU 56 -11.305 -20.320 21.441 1.00 23.43 ATOM 878 CB GLU 56 -10.981 -21.355 19.585 1.00 54.12 ATOM 879 HB1 GLU 56 -10.996 -22.422 19.776 1.00 38.92 ATOM 880 HB2 GLU 56 -10.317 -21.166 18.765 1.00 52.12 ATOM 881 CG GLU 56 -12.382 -20.945 19.162 1.00 33.55 ATOM 882 HG1 GLU 56 -12.654 -21.502 18.277 1.00 38.92 ATOM 883 HG2 GLU 56 -12.382 -19.889 18.935 1.00 52.22 ATOM 884 CD GLU 56 -13.417 -21.209 20.240 1.00 43.34 ATOM 885 OE1 GLU 56 -13.883 -22.363 20.344 1.00 52.42 ATOM 886 OE2 GLU 56 -13.760 -20.262 20.978 1.00 42.13 ATOM 887 C GLU 56 -9.579 -21.534 21.649 1.00 62.31 ATOM 888 O GLU 56 -10.020 -22.126 22.634 1.00 64.45 ATOM 889 N ALA 57 -8.320 -21.649 21.239 1.00 22.40 ATOM 890 HN ALA 57 -8.025 -21.165 20.431 1.00 38.92 ATOM 891 CA ALA 57 -7.362 -22.496 21.940 1.00 15.33 ATOM 892 HA ALA 57 -7.692 -23.522 21.850 1.00 64.33 ATOM 893 CB ALA 57 -5.989 -22.384 21.296 1.00 24.50 ATOM 894 HB1 ALA 57 -6.072 -22.595 20.240 1.00 63.43 ATOM 895 HB2 ALA 57 -5.318 -23.097 21.750 1.00 71.03 ATOM 896 HB3 ALA 57 -5.600 -21.384 21.431 1.00 23.00 ATOM 897 C ALA 57 -7.287 -22.130 23.419 1.00 64.21 ATOM 898 O ALA 57 -7.186 -23.003 24.280 1.00 64.22 ATOM 899 N GLY 58 -7.335 -20.833 23.707 1.00 53.15 ATOM 900 HN GLY 58 -7.401 -20.166 22.988 1.00 38.92 ATOM 901 CA GLY 58 -7.270 -20.375 25.082 1.00 21.11 ATOM 902 HA1 GLY 58 -7.127 -19.304 25.082 1.00 38.92 ATOM 903 HA2 GLY 58 -6.425 -20.837 25.578 1.00 34.12 ATOM 904 C GLY 58 -8.531 -20.694 25.860 1.00 55.43 ATOM 905 O GLY 58 -8.505 -20.789 27.086 1.00 22.13 ATOM 906 N MET 59 -9.640 -20.857 25.145 1.00 40.30 ATOM 907 HN MET 59 -9.612 -20.749 24.174 1.00 38.92 ATOM 908 CA MET 59 -10.918 -21.166 25.777 1.00 45.33 ATOM 909 HA MET 59 -11.045 -20.508 26.622 1.00 65.03 ATOM 910 CB MET 59 -12.066 -20.940 24.791 1.00 1.54 ATOM 911 HB1 MET 59 -13.004 -21.138 25.293 1.00 38.92 ATOM 912 HB2 MET 59 -11.963 -21.639 23.973 1.00 1.13 ATOM 913 CG MET 59 -12.096 -19.538 24.204 1.00 4.22 ATOM 914 HG1 MET 59 -12.320 -19.613 23.153 1.00 38.92 ATOM 915 HG2 MET 59 -11.138 -19.059 24.329 1.00 34.10 ATOM 916 SD MET 59 -13.349 -18.491 24.969 1.00 41.12 ATOM 917 CE MET 59 -12.929 -18.670 26.701 1.00 43.33 ATOM 918 HE1 MET 59 -13.127 -19.683 27.018 1.00 74.02 ATOM 919 HE2 MET 59 -13.525 -17.987 27.288 1.00 43.33 ATOM 920 HE3 MET 59 -11.882 -18.447 26.842 1.00 10.42 ATOM 921 C MET 59 -10.941 -22.605 26.281 1.00 63.12 ATOM 922 O MET 59 -11.461 -22.886 27.361 1.00 64.41 ATOM 923 N TYR 60 -10.375 -23.512 25.493 1.00 61.44 ATOM 924 HN TYR 60 -9.964 -23.225 24.644 1.00 38.92 ATOM 925 CA TYR 60 -10.333 -24.923 25.858 1.00 34.23 ATOM 926 HA TYR 60 -11.338 -25.242 26.093 1.00 72.12 ATOM 927 CB TYR 60 -9.820 -25.761 24.686 1.00 45.41 ATOM 928 HB1 TYR 60 -9.941 -26.808 24.925 1.00 38.92 ATOM 929 HB2 TYR 60 -8.766 -25.554 24.535 1.00 72.14 ATOM 930 CG TYR 60 -10.548 -25.496 23.388 1.00 72.33 ATOM 931 CD1 TYR 60 -9.852 -25.368 22.192 1.00 55.13 ATOM 932 HD1 TYR 60 -8.775 -25.460 22.195 1.00 21.32 ATOM 933 CD2 TYR 60 -11.932 -25.374 23.357 1.00 43.00 ATOM 934 HD2 TYR 60 -12.496 -25.471 24.273 1.00 53.14 ATOM 935 CE1 TYR 60 -10.514 -25.126 21.003 1.00 2.32 ATOM 936 HE1 TYR 60 -9.959 -25.041 20.095 1.00 22.14 ATOM 937 CE2 TYR 60 -12.601 -25.133 22.173 1.00 74.30 ATOM 938 HE2 TYR 60 -13.677 -25.042 22.170 1.00 24.05 ATOM 939 CZ TYR 60 -11.888 -25.010 20.999 1.00 52.21 ATOM 940 OH TYR 60 -12.551 -24.769 19.818 1.00 55.44 ATOM 941 HH TYR 60 -12.850 -23.857 19.792 1.00 12.43 ATOM 942 C TYR 60 -9.448 -25.143 27.081 1.00 35.24 ATOM 943 O TYR 60 -9.767 -25.949 27.955 1.00 13.23 ATOM 944 N ALA 61 -8.335 -24.420 27.136 1.00 40.32 ATOM 945 HN ALA 61 -8.123 -23.795 26.403 1.00 38.92 ATOM 946 CA ALA 61 -7.404 -24.533 28.252 1.00 54.51 ATOM 947 HA ALA 61 -7.178 -25.582 28.404 1.00 61.41 ATOM 948 CB ALA 61 -6.101 -23.818 27.927 1.00 70.03 ATOM 949 HB1 ALA 61 -5.398 -23.956 28.737 1.00 15.34 ATOM 950 HB2 ALA 61 -6.289 -22.762 27.789 1.00 53.54 ATOM 951 HB3 ALA 61 -5.685 -24.228 27.019 1.00 2.40 ATOM 952 C ALA 61 -8.012 -23.971 29.533 1.00 54.14 ATOM 953 O ALA 61 -7.901 -24.574 30.601 1.00 14.41 ATOM 954 N LEU 62 -8.654 -22.814 29.419 1.00 54.50 ATOM 955 HN LEU 62 -8.701 -22.370 28.539 1.00 38.92 ATOM 956 CA LEU 62 -9.280 -22.170 30.569 1.00 52.42 ATOM 957 HA LEU 62 -8.509 -21.970 31.302 1.00 3.42 ATOM 958 CB LEU 62 -9.930 -20.850 30.148 1.00 21.12 ATOM 959 HB1 LEU 62 -10.781 -20.652 30.793 1.00 38.92 ATOM 960 HB2 LEU 62 -10.309 -20.980 29.140 1.00 60.03 ATOM 961 CG LEU 62 -9.024 -19.619 30.170 1.00 3.33 ATOM 962 HG LEU 62 -8.047 -19.885 29.790 1.00 11.34 ATOM 963 CD1 LEU 62 -9.586 -18.526 29.275 1.00 52.14 ATOM 964 HD11 LEU 62 -10.561 -18.225 29.633 1.00 34.12 ATOM 965 HD12 LEU 62 -9.675 -18.896 28.263 1.00 23.31 ATOM 966 HD13 LEU 62 -8.922 -17.673 29.283 1.00 22.24 ATOM 967 CD2 LEU 62 -8.852 -19.108 31.594 1.00 62.54 ATOM 968 HD21 LEU 62 -9.813 -18.819 31.997 1.00 1.55 ATOM 969 HD22 LEU 62 -8.190 -18.253 31.595 1.00 33.23 ATOM 970 HD23 LEU 62 -8.425 -19.888 32.210 1.00 20.30 ATOM 971 C LEU 62 -10.323 -23.083 31.204 1.00 72.51 ATOM 972 O LEU 62 -10.280 -23.351 32.405 1.00 63.02 ATOM 973 N ARG 63 -11.259 -23.561 30.389 1.00 25.04 ATOM 974 HN ARG 63 -11.240 -23.310 29.434 1.00 38.92 ATOM 975 CA ARG 63 -12.312 -24.446 30.871 1.00 31.04 ATOM 976 HA ARG 63 -12.887 -23.910 31.614 1.00 41.21 ATOM 977 CB ARG 63 -13.240 -24.843 29.722 1.00 40.23 ATOM 978 HB1 ARG 63 -13.603 -23.945 29.244 1.00 38.92 ATOM 979 HB2 ARG 63 -14.082 -25.385 30.133 1.00 33.41 ATOM 980 CG ARG 63 -12.568 -25.706 28.667 1.00 63.23 ATOM 981 HG1 ARG 63 -11.985 -26.487 29.124 1.00 38.92 ATOM 982 HG2 ARG 63 -11.937 -25.080 28.085 1.00 12.43 ATOM 983 CD ARG 63 -13.588 -26.353 27.743 1.00 32.13 ATOM 984 HD1 ARG 63 -13.059 -26.751 26.888 1.00 38.92 ATOM 985 HD2 ARG 63 -14.296 -25.606 27.408 1.00 23.03 ATOM 986 NE ARG 63 -14.312 -27.438 28.401 1.00 2.44 ATOM 987 HE ARG 63 -14.181 -27.559 29.371 1.00 14.24 ATOM 988 CZ ARG 63 -15.136 -28.263 27.766 1.00 64.23 ATOM 989 NH1 ARG 63 -15.339 -28.129 26.462 1.00 2.04 ATOM 990 HH11 ARG 63 -14.884 -27.414 25.935 1.00 34.02 ATOM 991 HH12 ARG 63 -15.962 -28.758 25.991 1.00 43.22 ATOM 992 NH2 ARG 63 -15.758 -29.226 28.434 1.00 61.12 ATOM 993 HH21 ARG 63 -15.608 -29.334 29.419 1.00 11.53 ATOM 994 HH22 ARG 63 -16.381 -29.850 27.957 1.00 43.33 ATOM 995 C ARG 63 -11.720 -25.696 31.516 1.00 43.04 ATOM 996 O ARG 63 -12.350 -26.326 32.364 1.00 2.12 ATOM 997 N GLU 64 -10.505 -26.048 31.105 1.00 32.14 ATOM 998 HN GLU 64 -10.059 -25.547 30.392 1.00 38.92 ATOM 999 CA GLU 64 -9.829 -27.223 31.642 1.00 73.40 ATOM 1000 HA GLU 64 -10.574 -27.923 32.008 1.00 11.23 ATOM 1001 CB GLU 64 -9.009 -27.911 30.548 1.00 33.45 ATOM 1002 HB1 GLU 64 -8.296 -28.588 31.007 1.00 38.92 ATOM 1003 HB2 GLU 64 -8.466 -27.160 29.992 1.00 31.44 ATOM 1004 CG GLU 64 -9.852 -28.709 29.567 1.00 24.01 ATOM 1005 HG1 GLU 64 -10.321 -28.034 28.874 1.00 38.92 ATOM 1006 HG2 GLU 64 -10.618 -29.245 30.113 1.00 45.45 ATOM 1007 CD GLU 64 -9.035 -29.719 28.784 1.00 51.42 ATOM 1008 OE1 GLU 64 -8.158 -29.294 28.003 1.00 2.52 ATOM 1009 OE2 GLU 64 -9.273 -30.933 28.951 1.00 53.11 ATOM 1010 C GLU 64 -8.923 -26.844 32.810 1.00 71.12 ATOM 1011 O GLU 64 -8.028 -27.601 33.186 1.00 43.14 ATOM 1012 N ARG 65 -9.162 -25.667 33.379 1.00 74.14 ATOM 1013 HN ARG 65 -9.877 -25.091 33.064 1.00 38.92 ATOM 1014 CA ARG 65 -8.368 -25.186 34.502 1.00 5.11 ATOM 1015 HA ARG 65 -8.643 -24.158 34.686 1.00 3.04 ATOM 1016 CB ARG 65 -8.664 -26.012 35.755 1.00 63.20 ATOM 1017 HB1 ARG 65 -8.163 -25.562 36.602 1.00 38.92 ATOM 1018 HB2 ARG 65 -8.277 -27.014 35.614 1.00 51.51 ATOM 1019 CG ARG 65 -10.146 -26.130 36.070 1.00 21.33 ATOM 1020 HG1 ARG 65 -10.274 -26.905 36.813 1.00 38.92 ATOM 1021 HG2 ARG 65 -10.693 -26.400 35.179 1.00 31.02 ATOM 1022 CD ARG 65 -10.704 -24.827 36.620 1.00 21.05 ATOM 1023 HD1 ARG 65 -10.989 -24.203 35.786 1.00 38.92 ATOM 1024 HD2 ARG 65 -9.946 -24.314 37.201 1.00 74.24 ATOM 1025 NE ARG 65 -11.881 -25.046 37.457 1.00 2.52 ATOM 1026 HE ARG 65 -12.755 -24.806 37.077 1.00 32.11 ATOM 1027 CZ ARG 65 -11.826 -25.546 38.686 1.00 20.33 ATOM 1028 NH1 ARG 65 -10.658 -25.878 39.219 1.00 71.20 ATOM 1029 HH11 ARG 65 -9.802 -25.763 38.723 1.00 52.21 ATOM 1030 HH12 ARG 65 -10.630 -26.255 40.147 1.00 14.12 ATOM 1031 NH2 ARG 65 -12.941 -25.716 39.385 1.00 0.54 ATOM 1032 HH21 ARG 65 -13.827 -25.468 38.988 1.00 32.33 ATOM 1033 HH22 ARG 65 -12.902 -26.093 40.313 1.00 3.51 ATOM 1034 C ARG 65 -6.877 -25.247 34.180 1.00 73.53 ATOM 1035 O ARG 65 -6.068 -25.655 35.013 1.00 11.54 ATOM 1036 N ARG 66 -6.523 -24.841 32.965 1.00 63.30 ATOM 1037 HN ARG 66 -7.204 -24.508 32.338 1.00 38.92 ATOM 1038 CA ARG 66 -5.131 -24.852 32.532 1.00 43.01 ATOM 1039 HA ARG 66 -4.513 -25.266 33.323 1.00 33.41 ATOM 1040 CB ARG 66 -4.969 -25.725 31.286 1.00 4.02 ATOM 1041 HB1 ARG 66 -3.977 -25.563 30.875 1.00 38.92 ATOM 1042 HB2 ARG 66 -5.699 -25.431 30.552 1.00 12.03 ATOM 1043 CG ARG 66 -5.136 -27.211 31.558 1.00 62.11 ATOM 1044 HG1 ARG 66 -6.190 -27.444 31.555 1.00 38.92 ATOM 1045 HG2 ARG 66 -4.714 -27.453 32.525 1.00 3.13 ATOM 1046 CD ARG 66 -4.436 -28.053 30.502 1.00 53.40 ATOM 1047 HD1 ARG 66 -3.421 -28.230 30.829 1.00 38.92 ATOM 1048 HD2 ARG 66 -4.422 -27.521 29.558 1.00 21.11 ATOM 1049 NE ARG 66 -5.101 -29.337 30.297 1.00 51.33 ATOM 1050 HE ARG 66 -5.966 -29.487 30.745 1.00 62.12 ATOM 1051 CZ ARG 66 -4.605 -30.309 29.539 1.00 3.54 ATOM 1052 NH1 ARG 66 -3.445 -30.143 28.919 1.00 24.22 ATOM 1053 HH11 ARG 66 -2.925 -29.295 29.005 1.00 34.30 ATOM 1054 HH12 ARG 66 -3.078 -30.882 28.350 1.00 33.04 ATOM 1055 NH2 ARG 66 -5.269 -31.449 29.402 1.00 41.14 ATOM 1056 HH21 ARG 66 -6.146 -31.581 29.869 1.00 64.32 ATOM 1057 HH22 ARG 66 -4.897 -32.184 28.831 1.00 4.54 ATOM 1058 C ARG 66 -4.641 -23.436 32.241 1.00 22.43 ATOM 1059 O ARG 66 -5.403 -22.586 31.782 1.00 74.35 ATOM 1060 N VAL 67 -3.363 -23.190 32.513 1.00 31.33 ATOM 1061 HN VAL 67 -2.799 -23.907 32.889 1.00 38.92 ATOM 1062 CA VAL 67 -2.771 -21.878 32.281 1.00 61.42 ATOM 1063 HA VAL 67 -3.563 -21.141 32.187 1.00 55.45 ATOM 1064 CB VAL 67 -1.869 -21.453 33.455 1.00 33.51 ATOM 1065 HB VAL 67 -1.063 -22.169 33.547 1.00 31.35 ATOM 1066 CG1 VAL 67 -1.261 -20.084 33.193 1.00 30.22 ATOM 1067 HG11 VAL 67 -0.883 -19.664 34.118 1.00 4.51 ATOM 1068 HG12 VAL 67 -2.002 -19.415 32.777 1.00 41.52 ATOM 1069 HG13 VAL 67 -0.447 -20.189 32.507 1.00 15.22 ATOM 1070 CG2 VAL 67 -2.655 -21.457 34.758 1.00 40.33 ATOM 1071 HG21 VAL 67 -3.483 -20.766 34.686 1.00 54.04 ATOM 1072 HG22 VAL 67 -2.009 -21.158 35.572 1.00 13.41 ATOM 1073 HG23 VAL 67 -3.033 -22.450 34.953 1.00 2.52 ATOM 1074 C VAL 67 -1.952 -21.865 30.995 1.00 61.20 ATOM 1075 O VAL 67 -1.762 -20.817 30.378 1.00 4.41 ATOM 1076 N HIS 68 -1.469 -23.038 30.595 1.00 13.52 ATOM 1077 HN HIS 68 -1.667 -23.849 31.106 1.00 38.92 ATOM 1078 CA HIS 68 -0.671 -23.162 29.381 1.00 42.51 ATOM 1079 HA HIS 68 -0.418 -22.184 29.031 1.00 25.33 ATOM 1080 CB HIS 68 0.626 -23.917 29.673 1.00 40.12 ATOM 1081 HB1 HIS 68 1.285 -23.269 30.232 1.00 38.92 ATOM 1082 HB2 HIS 68 1.110 -24.192 28.745 1.00 74.45 ATOM 1083 CG HIS 68 0.425 -25.164 30.478 1.00 13.41 ATOM 1084 ND1 HIS 68 0.508 -25.192 31.854 1.00 23.42 ATOM 1085 HD1 HIS 68 0.702 -24.424 32.432 1.00 45.33 ATOM 1086 CD2 HIS 68 0.140 -26.430 30.093 1.00 2.23 ATOM 1087 HD2 HIS 68 0.002 -26.776 29.078 1.00 53.34 ATOM 1088 CE1 HIS 68 0.286 -26.423 32.281 1.00 53.31 ATOM 1089 HE1 HIS 68 0.288 -26.744 33.312 1.00 12.44 ATOM 1090 NE2 HIS 68 0.059 -27.193 31.232 1.00 2.10 ATOM 1091 HE2 HIS 68 -0.225 -28.130 31.270 1.00 38.92 ATOM 1092 C HIS 68 -1.455 -23.878 28.286 1.00 52.13 ATOM 1093 O HIS 68 -2.147 -24.862 28.546 1.00 31.31 ATOM 1094 N VAL 69 -1.343 -23.377 27.060 1.00 40.34 ATOM 1095 HN VAL 69 -0.764 -22.593 26.905 1.00 38.92 ATOM 1096 CA VAL 69 -2.041 -23.969 25.925 1.00 52.22 ATOM 1097 HA VAL 69 -2.932 -24.473 26.293 1.00 52.14 ATOM 1098 CB VAL 69 -2.493 -22.892 24.920 1.00 64.52 ATOM 1099 HB VAL 69 -1.618 -22.454 24.461 1.00 4.21 ATOM 1100 CG1 VAL 69 -3.340 -23.512 23.819 1.00 14.51 ATOM 1101 HG11 VAL 69 -4.186 -24.022 24.256 1.00 44.34 ATOM 1102 HG12 VAL 69 -2.751 -24.212 23.247 1.00 65.24 ATOM 1103 HG13 VAL 69 -3.696 -22.734 23.159 1.00 42.30 ATOM 1104 CG2 VAL 69 -3.255 -21.785 25.632 1.00 24.21 ATOM 1105 HG21 VAL 69 -4.116 -22.201 26.137 1.00 33.31 ATOM 1106 HG22 VAL 69 -3.585 -21.050 24.910 1.00 30.21 ATOM 1107 HG23 VAL 69 -2.612 -21.304 26.354 1.00 40.45 ATOM 1108 C VAL 69 -1.159 -24.983 25.205 1.00 40.30 ATOM 1109 O VAL 69 0.048 -24.784 25.064 1.00 2.44 ATOM 1110 N THR 70 -1.770 -26.072 24.749 1.00 24.22 ATOM 1111 HN THR 70 -2.736 -26.181 24.886 1.00 38.92 ATOM 1112 CA THR 70 -1.040 -27.118 24.044 1.00 73.51 ATOM 1113 HA THR 70 0.024 -26.936 24.131 1.00 50.11 ATOM 1114 CB THR 70 -1.325 -28.507 24.648 1.00 51.42 ATOM 1115 HB THR 70 -0.645 -29.223 24.207 1.00 75.13 ATOM 1116 OG1 THR 70 -2.671 -28.900 24.357 1.00 22.44 ATOM 1117 HG1 THR 70 -3.289 -28.448 24.936 1.00 2.24 ATOM 1118 CG2 THR 70 -1.108 -28.497 26.153 1.00 0.45 ATOM 1119 HG21 THR 70 -1.257 -29.494 26.542 1.00 63.32 ATOM 1120 HG22 THR 70 -1.813 -27.824 26.618 1.00 52.11 ATOM 1121 HG23 THR 70 -0.100 -28.174 26.375 1.00 74.41 ATOM 1122 C THR 70 -1.401 -27.137 22.563 1.00 61.51 ATOM 1123 O THR 70 -2.430 -26.597 22.159 1.00 11.12 ATOM 1124 N GLN 71 -0.548 -27.764 21.759 1.00 42.42 ATOM 1125 HN GLN 71 0.263 -28.177 22.143 1.00 38.92 ATOM 1126 CA GLN 71 -0.778 -27.852 20.322 1.00 70.32 ATOM 1127 HA GLN 71 -0.695 -26.857 19.910 1.00 33.41 ATOM 1128 CB GLN 71 0.277 -28.748 19.669 1.00 13.42 ATOM 1129 HB1 GLN 71 0.326 -29.679 20.215 1.00 38.92 ATOM 1130 HB2 GLN 71 1.236 -28.261 19.726 1.00 44.44 ATOM 1131 CG GLN 71 -0.016 -29.070 18.213 1.00 61.22 ATOM 1132 HG1 GLN 71 -0.171 -28.144 17.676 1.00 38.92 ATOM 1133 HG2 GLN 71 -0.910 -29.673 18.157 1.00 20.33 ATOM 1134 CD GLN 71 1.106 -29.846 17.550 1.00 14.31 ATOM 1135 OE1 GLN 71 1.637 -30.800 18.119 1.00 11.32 ATOM 1136 NE2 GLN 71 1.472 -29.439 16.340 1.00 22.42 ATOM 1137 HE21 GLN 71 1.018 -28.667 15.932 1.00 30.02 ATOM 1138 HE22 GLN 71 2.179 -29.945 15.889 1.00 10.12 ATOM 1139 C GLN 71 -2.174 -28.392 20.026 1.00 25.14 ATOM 1140 O GLN 71 -2.882 -27.869 19.167 1.00 64.45 ATOM 1141 N GLU 72 -2.561 -29.441 20.745 1.00 73.21 ATOM 1142 HN GLU 72 -1.944 -29.828 21.411 1.00 38.92 ATOM 1143 CA GLU 72 -3.872 -30.052 20.558 1.00 51.11 ATOM 1144 HA GLU 72 -3.888 -30.503 19.586 1.00 43.44 ATOM 1145 CB GLU 72 -4.108 -31.138 21.610 1.00 54.41 ATOM 1146 HB1 GLU 72 -5.173 -31.313 21.716 1.00 38.92 ATOM 1147 HB2 GLU 72 -3.721 -30.789 22.559 1.00 45.14 ATOM 1148 CG GLU 72 -3.457 -32.467 21.269 1.00 74.51 ATOM 1149 HG1 GLU 72 -2.540 -32.290 20.719 1.00 38.92 ATOM 1150 HG2 GLU 72 -4.137 -33.036 20.654 1.00 64.44 ATOM 1151 CD GLU 72 -3.125 -33.287 22.501 1.00 72.24 ATOM 1152 OE1 GLU 72 -4.068 -33.738 23.185 1.00 52.43 ATOM 1153 OE2 GLU 72 -1.924 -33.478 22.781 1.00 65.13 ATOM 1154 C GLU 72 -4.977 -29.003 20.637 1.00 54.32 ATOM 1155 O GLU 72 -5.999 -29.109 19.958 1.00 63.25 ATOM 1156 N ASP 73 -4.766 -27.991 21.471 1.00 45.44 ATOM 1157 HN ASP 73 -3.946 -27.969 22.012 1.00 38.92 ATOM 1158 CA ASP 73 -5.743 -26.921 21.639 1.00 64.20 ATOM 1159 HA ASP 73 -6.713 -27.370 21.813 1.00 25.53 ATOM 1160 CB ASP 73 -5.381 -26.057 22.848 1.00 50.43 ATOM 1161 HB1 ASP 73 -6.151 -25.313 22.997 1.00 38.92 ATOM 1162 HB2 ASP 73 -4.448 -25.566 22.662 1.00 62.14 ATOM 1163 CG ASP 73 -5.253 -26.868 24.122 1.00 13.42 ATOM 1164 OD1 ASP 73 -4.690 -26.342 25.105 1.00 30.50 ATOM 1165 OD2 ASP 73 -5.716 -28.028 24.137 1.00 42.35 ATOM 1166 C ASP 73 -5.823 -26.056 20.385 1.00 71.20 ATOM 1167 O ASP 73 -6.894 -25.569 20.022 1.00 61.33 ATOM 1168 N PHE 74 -4.683 -25.868 19.728 1.00 74.31 ATOM 1169 HN PHE 74 -3.852 -26.262 20.074 1.00 38.92 ATOM 1170 CA PHE 74 -4.624 -25.060 18.516 1.00 72.25 ATOM 1171 HA PHE 74 -5.155 -24.132 18.699 1.00 42.43 ATOM 1172 CB PHE 74 -3.170 -24.747 18.157 1.00 52.34 ATOM 1173 HB1 PHE 74 -3.088 -24.618 17.091 1.00 38.92 ATOM 1174 HB2 PHE 74 -2.538 -25.574 18.449 1.00 62.24 ATOM 1175 CG PHE 74 -2.647 -23.499 18.810 1.00 71.42 ATOM 1176 CD1 PHE 74 -2.029 -23.557 20.048 1.00 23.34 ATOM 1177 HD1 PHE 74 -1.924 -24.510 20.548 1.00 72.15 ATOM 1178 CD2 PHE 74 -2.774 -22.269 18.186 1.00 72.05 ATOM 1179 HD2 PHE 74 -3.254 -22.207 17.219 1.00 61.50 ATOM 1180 CE1 PHE 74 -1.546 -22.412 20.652 1.00 2.52 ATOM 1181 HE1 PHE 74 -1.077 -22.477 21.617 1.00 15.01 ATOM 1182 CE2 PHE 74 -2.293 -21.120 18.784 1.00 21.12 ATOM 1183 HE2 PHE 74 -2.399 -20.167 18.287 1.00 64.04 ATOM 1184 CZ PHE 74 -1.679 -21.191 20.019 1.00 31.25 ATOM 1185 HZ PHE 74 -1.303 -20.294 20.489 1.00 10.00 ATOM 1186 C PHE 74 -5.304 -25.775 17.352 1.00 74.04 ATOM 1187 O PHE 74 -6.215 -25.234 16.725 1.00 63.21 ATOM 1188 N GLU 75 -4.854 -26.994 17.069 1.00 14.31 ATOM 1189 HN GLU 75 -4.104 -27.356 17.595 1.00 38.92 ATOM 1190 CA GLU 75 -5.419 -27.782 15.980 1.00 44.02 ATOM 1191 HA GLU 75 -5.273 -27.237 15.059 1.00 20.01 ATOM 1192 CB GLU 75 -4.703 -29.130 15.873 1.00 73.42 ATOM 1193 HB1 GLU 75 -3.678 -28.961 15.591 1.00 38.92 ATOM 1194 HB2 GLU 75 -5.180 -29.720 15.099 1.00 32.31 ATOM 1195 CG GLU 75 -4.711 -29.928 17.166 1.00 4.42 ATOM 1196 HG1 GLU 75 -5.711 -29.973 17.563 1.00 38.92 ATOM 1197 HG2 GLU 75 -4.070 -29.440 17.868 1.00 20.41 ATOM 1198 CD GLU 75 -4.215 -31.348 16.979 1.00 72.44 ATOM 1199 OE1 GLU 75 -4.829 -32.271 17.554 1.00 33.05 ATOM 1200 OE2 GLU 75 -3.214 -31.538 16.257 1.00 51.12 ATOM 1201 C GLU 75 -6.914 -28.002 16.186 1.00 75.43 ATOM 1202 O GLU 75 -7.680 -28.076 15.225 1.00 43.43 ATOM 1203 N MET 76 -7.323 -28.108 17.446 1.00 51.20 ATOM 1204 HN MET 76 -6.665 -28.059 18.177 1.00 38.92 ATOM 1205 CA MET 76 -8.727 -28.319 17.779 1.00 71.35 ATOM 1206 HA MET 76 -9.076 -29.166 17.207 1.00 30.24 ATOM 1207 CB MET 76 -8.882 -28.599 19.275 1.00 55.43 ATOM 1208 HB1 MET 76 -9.807 -28.171 19.633 1.00 38.92 ATOM 1209 HB2 MET 76 -8.076 -28.123 19.810 1.00 61.21 ATOM 1210 CG MET 76 -8.873 -30.079 19.621 1.00 54.33 ATOM 1211 HG1 MET 76 -8.845 -30.181 20.696 1.00 38.92 ATOM 1212 HG2 MET 76 -7.990 -30.534 19.196 1.00 25.21 ATOM 1213 SD MET 76 -10.326 -30.946 18.999 1.00 74.42 ATOM 1214 CE MET 76 -11.638 -30.026 19.798 1.00 55.51 ATOM 1215 HE1 MET 76 -11.774 -29.080 19.295 1.00 22.20 ATOM 1216 HE2 MET 76 -11.377 -29.850 20.831 1.00 10.40 ATOM 1217 HE3 MET 76 -12.556 -30.593 19.751 1.00 42.32 ATOM 1218 C MET 76 -9.567 -27.108 17.386 1.00 73.35 ATOM 1219 O MET 76 -10.612 -27.246 16.750 1.00 41.02 ATOM 1220 N ALA 77 -9.104 -25.923 17.768 1.00 11.15 ATOM 1221 HN ALA 77 -8.263 -25.876 18.283 1.00 38.92 ATOM 1222 CA ALA 77 -9.812 -24.688 17.454 1.00 34.33 ATOM 1223 HA ALA 77 -10.782 -24.725 17.932 1.00 23.12 ATOM 1224 CB ALA 77 -9.059 -23.491 18.013 1.00 4.43 ATOM 1225 HB1 ALA 77 -8.019 -23.561 17.737 1.00 74.42 ATOM 1226 HB2 ALA 77 -9.142 -23.474 19.086 1.00 41.22 ATOM 1227 HB3 ALA 77 -9.474 -22.586 17.613 1.00 21.30 ATOM 1228 C ALA 77 -10.010 -24.536 15.950 1.00 61.31 ATOM 1229 O ALA 77 -11.031 -24.019 15.497 1.00 40.22 ATOM 1230 N VAL 78 -9.026 -24.990 15.180 1.00 51.14 ATOM 1231 HN VAL 78 -8.240 -25.405 15.599 1.00 38.92 ATOM 1232 CA VAL 78 -9.092 -24.905 13.726 1.00 52.54 ATOM 1233 HA VAL 78 -9.170 -23.859 13.454 1.00 33.24 ATOM 1234 CB VAL 78 -7.824 -25.483 13.071 1.00 23.42 ATOM 1235 HB VAL 78 -7.742 -26.526 13.339 1.00 20.13 ATOM 1236 CG1 VAL 78 -7.915 -25.391 11.556 1.00 71.44 ATOM 1237 HG11 VAL 78 -8.546 -26.186 11.187 1.00 44.25 ATOM 1238 HG12 VAL 78 -6.931 -25.491 11.118 1.00 63.42 ATOM 1239 HG13 VAL 78 -8.341 -24.441 11.271 1.00 54.21 ATOM 1240 CG2 VAL 78 -6.585 -24.764 13.583 1.00 21.45 ATOM 1241 HG21 VAL 78 -6.672 -23.703 13.391 1.00 74.25 ATOM 1242 HG22 VAL 78 -5.720 -25.149 13.068 1.00 51.52 ATOM 1243 HG23 VAL 78 -6.473 -24.931 14.628 1.00 3.30 ATOM 1244 C VAL 78 -10.312 -25.644 13.187 1.00 44.04 ATOM 1245 O VAL 78 -11.059 -25.114 12.365 1.00 44.31 ATOM 1246 N ALA 79 -10.507 -26.872 13.655 1.00 31.05 ATOM 1247 HN ALA 79 -9.870 -27.247 14.310 1.00 38.92 ATOM 1248 CA ALA 79 -11.638 -27.684 13.223 1.00 65.04 ATOM 1249 HA ALA 79 -11.598 -27.775 12.145 1.00 23.44 ATOM 1250 CB ALA 79 -11.539 -29.083 13.813 1.00 14.22 ATOM 1251 HB1 ALA 79 -11.596 -29.029 14.891 1.00 30.14 ATOM 1252 HB2 ALA 79 -10.596 -29.526 13.527 1.00 33.11 ATOM 1253 HB3 ALA 79 -12.349 -29.694 13.440 1.00 65.11 ATOM 1254 C ALA 79 -12.961 -27.035 13.613 1.00 50.25 ATOM 1255 O ALA 79 -13.981 -27.234 12.952 1.00 42.20 ATOM 1256 N LYS 80 -12.939 -26.258 14.690 1.00 3.31 ATOM 1257 HN LYS 80 -12.105 -26.148 15.198 1.00 38.92 ATOM 1258 CA LYS 80 -14.136 -25.578 15.169 1.00 55.12 ATOM 1259 HA LYS 80 -14.976 -26.258 15.084 1.00 42.44 ATOM 1260 CB LYS 80 -13.973 -25.188 16.640 1.00 52.04 ATOM 1261 HB1 LYS 80 -13.129 -24.517 16.729 1.00 38.92 ATOM 1262 HB2 LYS 80 -13.758 -26.080 17.200 1.00 21.41 ATOM 1263 CG LYS 80 -15.191 -24.494 17.224 1.00 52.54 ATOM 1264 HG1 LYS 80 -15.824 -24.107 16.438 1.00 38.92 ATOM 1265 HG2 LYS 80 -14.857 -23.666 17.833 1.00 21.23 ATOM 1266 CD LYS 80 -16.019 -25.442 18.075 1.00 51.24 ATOM 1267 HD1 LYS 80 -16.083 -26.410 17.592 1.00 38.92 ATOM 1268 HD2 LYS 80 -17.013 -25.030 18.175 1.00 30.32 ATOM 1269 CE LYS 80 -15.424 -25.606 19.465 1.00 74.52 ATOM 1270 HE1 LYS 80 -16.235 -25.772 20.159 1.00 38.92 ATOM 1271 HE2 LYS 80 -14.899 -24.708 19.754 1.00 23.41 ATOM 1272 NZ LYS 80 -14.499 -26.771 19.538 1.00 73.11 ATOM 1273 HZ1 LYS 80 -14.400 -27.076 20.528 1.00 11.01 ATOM 1274 HZ2 LYS 80 -13.560 -26.507 19.185 1.00 74.02 ATOM 1275 HZ3 LYS 80 -14.858 -27.575 18.978 1.00 4.50 ATOM 1276 C LYS 80 -14.428 -24.336 14.332 1.00 35.32 ATOM 1277 O LYS 80 -15.543 -24.153 13.843 1.00 14.14 ATOM 1278 N VAL 81 -13.419 -23.487 14.170 1.00 51.32 ATOM 1279 HN VAL 81 -12.544 -23.701 14.567 1.00 38.92 ATOM 1280 CA VAL 81 -13.567 -22.264 13.390 1.00 51.31 ATOM 1281 HA VAL 81 -14.433 -21.726 13.762 1.00 51.04 ATOM 1282 CB VAL 81 -12.334 -21.352 13.536 1.00 33.11 ATOM 1283 HB VAL 81 -11.467 -21.881 13.162 1.00 33.40 ATOM 1284 CG1 VAL 81 -12.507 -20.084 12.714 1.00 13.14 ATOM 1285 HG11 VAL 81 -12.280 -20.315 11.696 1.00 72.35 ATOM 1286 HG12 VAL 81 -11.824 -19.317 13.060 1.00 40.41 ATOM 1287 HG13 VAL 81 -13.523 -19.718 12.787 1.00 55.40 ATOM 1288 CG2 VAL 81 -12.089 -21.019 15.000 1.00 22.41 ATOM 1289 HG21 VAL 81 -12.930 -20.460 15.389 1.00 53.13 ATOM 1290 HG22 VAL 81 -11.194 -20.420 15.088 1.00 13.33 ATOM 1291 HG23 VAL 81 -11.967 -21.917 15.575 1.00 13.34 ATOM 1292 C VAL 81 -13.782 -22.576 11.913 1.00 33.33 ATOM 1293 O VAL 81 -14.417 -21.808 11.192 1.00 12.50 ATOM 1294 N MET 82 -13.249 -23.710 11.470 1.00 32.35 ATOM 1295 HN MET 82 -12.745 -24.291 12.085 1.00 38.92 ATOM 1296 CA MET 82 -13.385 -24.126 10.079 1.00 4.41 ATOM 1297 HA MET 82 -13.496 -23.247 9.460 1.00 50.52 ATOM 1298 CB MET 82 -12.142 -24.897 9.632 1.00 63.43 ATOM 1299 HB1 MET 82 -12.297 -25.268 8.625 1.00 38.92 ATOM 1300 HB2 MET 82 -11.998 -25.740 10.288 1.00 15.30 ATOM 1301 CG MET 82 -10.873 -24.060 9.635 1.00 22.51 ATOM 1302 HG1 MET 82 -10.035 -24.699 9.399 1.00 38.92 ATOM 1303 HG2 MET 82 -10.733 -23.632 10.614 1.00 35.11 ATOM 1304 SD MET 82 -10.927 -22.712 8.439 1.00 21.13 ATOM 1305 CE MET 82 -10.570 -23.592 6.921 1.00 51.15 ATOM 1306 HE1 MET 82 -10.815 -24.639 7.032 1.00 55.12 ATOM 1307 HE2 MET 82 -9.525 -23.490 6.687 1.00 42.35 ATOM 1308 HE3 MET 82 -11.158 -23.173 6.120 1.00 62.42 ATOM 1309 C MET 82 -14.629 -24.987 9.888 1.00 63.24 ATOM 1310 O MET 82 -15.203 -25.030 8.800 1.00 64.02 ATOM 1311 N GLN 83 -15.039 -25.671 10.951 1.00 62.33 ATOM 1312 HN GLN 83 -14.542 -25.625 11.796 1.00 38.92 ATOM 1313 CA GLN 83 -16.214 -26.532 10.898 1.00 74.34 ATOM 1314 HA GLN 83 -16.293 -27.043 11.846 1.00 21.22 ATOM 1315 CB GLN 83 -17.476 -25.696 10.677 1.00 43.44 ATOM 1316 HB1 GLN 83 -18.337 -26.347 10.764 1.00 38.92 ATOM 1317 HB2 GLN 83 -17.457 -25.271 9.683 1.00 43.22 ATOM 1318 CG GLN 83 -17.633 -24.557 11.672 1.00 70.40 ATOM 1319 HG1 GLN 83 -16.912 -23.788 11.436 1.00 38.92 ATOM 1320 HG2 GLN 83 -17.440 -24.938 12.664 1.00 2.14 ATOM 1321 CD GLN 83 -19.020 -23.946 11.645 1.00 30.21 ATOM 1322 OE1 GLN 83 -19.469 -23.443 10.615 1.00 13.21 ATOM 1323 NE2 GLN 83 -19.707 -23.987 12.781 1.00 73.04 ATOM 1324 HE21 GLN 83 -19.301 -24.401 13.576 1.00 51.21 ATOM 1325 HE22 GLN 83 -20.606 -23.597 12.782 1.00 40.40 ATOM 1326 C GLN 83 -16.079 -27.571 9.790 1.00 65.44 ATOM 1327 O GLN 83 -16.978 -27.738 8.966 1.00 52.43 ATOM 1328 N LYS 84 -14.948 -28.269 9.775 1.00 43.22 ATOM 1329 HN LYS 84 -14.272 -28.109 10.471 1.00 38.92 ATOM 1330 CA LYS 84 -14.693 -29.293 8.769 1.00 60.12 ATOM 1331 HA LYS 84 -15.434 -29.206 7.981 1.00 64.31 ATOM 1332 CB LYS 84 -13.312 -29.089 8.141 1.00 12.34 ATOM 1333 HB1 LYS 84 -13.257 -28.079 7.758 1.00 38.92 ATOM 1334 HB2 LYS 84 -13.194 -29.782 7.320 1.00 45.41 ATOM 1335 CG LYS 84 -12.165 -29.300 9.114 1.00 22.10 ATOM 1336 HG1 LYS 84 -12.136 -30.341 9.395 1.00 38.92 ATOM 1337 HG2 LYS 84 -12.320 -28.692 9.991 1.00 51.10 ATOM 1338 CD LYS 84 -10.831 -28.921 8.493 1.00 3.14 ATOM 1339 HD1 LYS 84 -10.771 -27.845 8.423 1.00 38.92 ATOM 1340 HD2 LYS 84 -10.757 -29.354 7.503 1.00 14.03 ATOM 1341 CE LYS 84 -9.664 -29.426 9.328 1.00 20.31 ATOM 1342 HE1 LYS 84 -9.844 -29.206 10.373 1.00 38.92 ATOM 1343 HE2 LYS 84 -8.768 -28.915 9.008 1.00 44.34 ATOM 1344 NZ LYS 84 -9.460 -30.893 9.166 1.00 11.51 ATOM 1345 HZ1 LYS 84 -9.307 -31.130 8.163 1.00 34.11 ATOM 1346 HZ2 LYS 84 -10.289 -31.416 9.512 1.00 73.53 ATOM 1347 HZ3 LYS 84 -8.627 -31.196 9.710 1.00 20.50 ATOM 1348 C LYS 84 -14.785 -30.689 9.378 1.00 42.42 ATOM 1349 O LYS 84 -14.238 -30.945 10.451 1.00 71.13 ATOM 1350 N ASP 85 -15.478 -31.586 8.686 1.00 24.41 ATOM 1351 HN ASP 85 -15.897 -31.332 7.833 1.00 38.92 ATOM 1352 CA ASP 85 -15.638 -32.957 9.158 1.00 55.12 ATOM 1353 HA ASP 85 -16.371 -33.441 8.528 1.00 51.21 ATOM 1354 CB ASP 85 -14.312 -33.712 9.057 1.00 34.54 ATOM 1355 HB1 ASP 85 -14.426 -34.700 9.484 1.00 38.92 ATOM 1356 HB2 ASP 85 -13.554 -33.174 9.606 1.00 71.22 ATOM 1357 CG ASP 85 -13.843 -33.871 7.624 1.00 12.55 ATOM 1358 OD1 ASP 85 -12.998 -33.063 7.185 1.00 74.12 ATOM 1359 OD2 ASP 85 -14.322 -34.801 6.942 1.00 24.13 ATOM 1360 C ASP 85 -16.144 -32.980 10.597 1.00 62.50 ATOM 1361 O ASP 85 -15.675 -33.770 11.417 1.00 13.11 ATOM 1362 N SER 86 -17.102 -32.109 10.897 1.00 62.12 ATOM 1363 HN SER 86 -17.459 -31.517 10.193 1.00 38.92 ATOM 1364 HA SER 86 -16.852 -32.025 12.952 1.00 42.24 ATOM 1365 CB SER 86 -18.459 -30.728 12.402 1.00 52.33 ATOM 1366 HB1 SER 86 -17.894 -29.906 11.987 1.00 38.92 ATOM 1367 HB2 SER 86 -18.636 -30.548 13.452 1.00 14.11 ATOM 1368 OG SER 86 -19.709 -30.805 11.738 1.00 62.20 ATOM 1369 HG SER 86 -20.224 -30.018 11.932 1.00 73.15 ATOM 1370 CA SER 86 -17.667 -32.026 12.238 1.00 34.53 ATOM 1371 C SER 86 -18.569 -33.224 12.523 1.00 62.15 ATOM 1372 OT1 SER 86 -19.460 -33.514 11.693 1.00 38.92 ATOM 1373 OT2 SER 86 -18.379 -33.867 13.577 1.00 38.92 ATOM 1374 OH2 TIP3 1 -16.408 -32.983 -0.368 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -16.849 -33.703 0.082 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -16.421 -32.262 0.262 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -18.584 -39.095 2.064 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.441 -40.042 2.084 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -18.690 -38.888 1.135 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -12.670 -40.410 4.833 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -13.359 -39.752 4.738 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -12.655 -40.607 5.770 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -15.896 -31.143 1.980 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -16.838 -31.085 2.141 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -15.620 -30.237 1.843 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.023 -37.549 5.383 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -16.943 -36.786 5.955 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -17.624 -37.270 4.692 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -18.599 -30.821 2.565 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -18.840 -30.159 3.213 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -18.797 -31.655 2.990 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -24.028 -31.925 6.548 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -24.340 -31.143 7.004 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -24.678 -32.078 5.862 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -25.789 -29.853 7.312 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -25.781 -29.989 6.364 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -26.705 -29.971 7.564 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -21.265 -30.640 6.044 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -21.178 -29.814 6.519 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -22.129 -30.970 6.293 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -15.092 -38.721 7.648 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -15.499 -38.240 6.928 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -15.051 -39.626 7.341 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -17.335 -40.389 5.869 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -17.849 -40.515 6.666 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -17.490 -39.477 5.624 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -20.598 -38.089 7.953 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -21.161 -38.793 8.273 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -19.772 -38.209 8.420 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -19.432 -37.180 3.950 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -19.108 -37.811 3.307 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -19.872 -37.715 4.611 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -20.644 -33.680 5.957 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -20.990 -34.061 6.763 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -20.844 -32.746 6.028 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -23.014 -36.591 8.017 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -23.310 -36.757 7.122 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -22.083 -36.811 8.007 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -18.394 -31.218 5.907 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -19.295 -31.035 5.639 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -18.360 -30.959 6.828 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -17.207 -35.379 1.761 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -18.135 -35.611 1.734 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -16.756 -36.156 1.431 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -22.722 -29.239 3.785 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -22.359 -28.384 3.552 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -22.190 -29.531 4.526 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -19.178 -33.140 3.486 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -19.604 -33.367 4.312 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.597 -33.878 3.303 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -14.938 -41.341 6.204 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -15.854 -41.078 6.116 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -14.602 -41.344 5.307 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.336 -37.590 0.300 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -17.133 -38.005 -0.029 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.891 -38.281 0.791 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -15.249 -28.334 1.922 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -15.405 -27.656 1.265 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -14.317 -28.262 2.125 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -24.938 -28.744 9.770 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -24.170 -29.203 10.111 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -24.959 -28.970 8.840 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -22.973 -33.883 8.537 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -23.301 -33.612 7.679 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -22.821 -34.824 8.449 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -18.099 -38.665 9.741 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -17.907 -39.596 9.630 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -17.242 -38.240 9.731 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -22.027 -40.141 8.468 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -22.263 -40.361 9.370 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -22.810 -40.348 7.959 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -19.311 -41.014 7.544 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -20.259 -40.982 7.676 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -18.999 -41.639 8.198 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -12.533 -27.684 2.151 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -12.555 -27.499 3.090 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -11.843 -27.115 1.810 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -13.065 -33.232 1.997 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -12.231 -33.610 1.716 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -12.953 -32.289 1.878 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -14.578 -30.354 4.304 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -15.226 -30.029 4.929 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -15.096 -30.794 3.629 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -14.715 -39.332 1.510 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -13.782 -39.120 1.476 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -14.950 -39.230 2.433 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -14.686 -38.595 4.286 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -15.529 -38.327 4.652 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -14.243 -37.773 4.075 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -12.883 -42.506 7.989 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -13.800 -42.235 7.953 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -12.760 -43.041 7.205 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -21.145 -28.291 7.484 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -20.960 -28.625 8.362 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -20.298 -27.982 7.162 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -20.876 -26.946 2.778 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -21.333 -26.417 2.124 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -20.713 -26.343 3.503 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.549 -28.068 3.723 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.453 -27.903 3.457 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -18.120 -27.215 3.657 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -15.944 -26.498 4.018 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -16.126 -25.582 3.807 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -15.768 -26.908 3.171 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.114 -35.922 20.186 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -20.152 -36.568 20.891 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -20.437 -36.388 19.415 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -16.408 -32.983 18.488 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -16.849 -33.703 18.938 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -16.421 -32.262 19.118 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -19.297 -27.878 18.700 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -18.677 -28.555 18.427 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.505 -28.096 19.608 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -21.725 -33.489 20.592 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -21.421 -34.175 19.998 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -21.003 -33.371 21.210 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -17.707 -40.863 16.593 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -17.061 -41.192 17.218 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -17.197 -40.345 15.970 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -23.653 -37.047 18.170 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -23.037 -37.573 18.679 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -24.239 -37.687 17.766 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.896 -31.143 20.836 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -16.838 -31.085 20.997 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -15.620 -30.237 20.699 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -17.644 -29.362 17.461 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -17.219 -30.069 16.976 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -17.327 -28.561 17.044 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -14.799 -32.895 24.447 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -14.659 -33.486 23.708 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -14.631 -32.022 24.091 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -20.272 -37.475 11.258 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -19.571 -37.453 11.909 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -19.970 -38.103 10.602 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -12.957 -36.555 22.513 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -13.609 -35.860 22.602 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -12.492 -36.345 21.703 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -25.275 -35.093 17.054 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -25.605 -35.463 16.235 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -24.687 -35.763 17.400 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -18.599 -30.821 21.421 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -18.840 -30.159 22.069 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -18.797 -31.655 21.846 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -20.323 -29.824 16.291 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -19.849 -29.529 17.069 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -20.886 -29.086 16.058 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -26.285 -36.023 14.643 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -26.577 -35.255 14.152 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -26.959 -36.683 14.480 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -21.265 -30.640 24.900 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -21.178 -29.814 25.375 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -22.129 -30.970 25.149 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -19.700 -38.264 15.321 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.109 -37.449 15.029 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -18.980 -38.404 14.706 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -18.696 -38.818 18.135 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -18.891 -38.213 17.420 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -18.514 -39.652 17.700 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -25.499 -38.429 11.640 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -26.041 -38.809 10.949 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -24.665 -38.235 11.211 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -15.014 -34.731 22.362 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -14.372 -34.274 21.819 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -15.844 -34.618 21.900 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.266 -41.050 11.775 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -19.204 -40.938 11.624 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -17.969 -40.193 12.081 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -20.644 -33.680 24.813 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -20.990 -34.061 25.619 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -20.844 -32.746 24.884 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -17.548 -39.183 13.436 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -16.656 -39.320 13.755 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -17.491 -38.392 12.899 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -18.394 -31.218 24.763 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -19.295 -31.035 24.495 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -18.360 -30.959 25.684 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -12.663 -38.973 13.130 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -13.217 -39.369 12.458 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -12.562 -38.063 12.853 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -12.699 -33.173 25.967 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -13.551 -32.935 25.600 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -12.109 -33.190 25.214 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -17.207 -35.379 20.617 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -18.135 -35.611 20.590 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -16.756 -36.156 20.287 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -24.664 -31.051 16.750 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -24.137 -30.278 16.549 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -25.544 -30.826 16.448 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -23.237 -33.388 16.326 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -23.478 -32.463 16.368 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -23.977 -33.847 16.722 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -24.553 -28.366 15.871 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -25.503 -28.261 15.923 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -24.202 -27.546 16.216 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -19.178 -33.140 22.342 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -19.604 -33.367 23.168 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -18.597 -33.878 22.159 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -23.947 -31.529 12.319 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -23.800 -32.049 13.109 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -23.950 -30.622 12.625 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -21.678 -40.234 15.040 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -20.866 -39.730 15.086 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -21.923 -40.379 15.954 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -23.871 -28.788 13.050 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -23.710 -27.988 12.549 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -24.068 -28.481 13.935 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -16.336 -37.590 19.156 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -17.133 -38.005 18.827 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -15.891 -38.281 19.647 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -26.878 -31.662 11.726 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -26.286 -30.963 12.002 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -26.419 -32.095 11.007 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -25.287 -33.509 10.092 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -25.223 -34.303 10.623 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -24.634 -33.628 9.403 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -17.238 -33.967 24.776 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -16.493 -33.379 24.656 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -17.995 -33.385 24.839 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -24.138 -35.537 12.398 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -24.597 -36.021 13.084 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -23.883 -36.205 11.762 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -23.067 -37.294 10.661 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -23.247 -37.448 9.733 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -22.116 -37.186 10.705 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -19.829 -35.173 28.032 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -18.876 -35.089 28.004 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -19.989 -35.884 28.651 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.783 -35.876 26.675 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -17.064 -35.167 26.097 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.840 -35.949 26.524 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -23.169 -26.603 11.662 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -22.236 -26.445 11.806 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -23.433 -25.928 11.037 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -12.824 -36.017 15.905 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -13.550 -36.496 16.303 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -12.243 -35.811 16.637 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.578 -30.354 23.160 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.226 -30.029 23.785 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.096 -30.794 22.485 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -12.556 -36.116 12.296 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -13.077 -35.759 11.577 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -12.589 -35.441 12.974 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -14.207 -38.876 10.847 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -14.110 -38.209 10.167 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -14.347 -39.692 10.365 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -15.037 -37.496 16.468 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.187 -38.441 16.448 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.391 -37.215 17.312 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -14.181 -35.526 26.107 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -13.598 -36.260 26.298 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -13.617 -34.754 26.153 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -12.684 -37.623 26.791 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -13.547 -38.002 26.626 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -12.080 -38.362 26.717 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -14.959 -41.468 9.964 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -14.349 -41.840 10.601 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -15.796 -41.890 10.160 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -15.327 -39.913 14.930 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -15.047 -40.820 15.055 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -14.568 -39.479 14.541 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -21.145 -28.291 26.340 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -20.960 -28.625 27.218 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -20.298 -27.982 26.018 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -20.876 -26.946 21.634 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -21.333 -26.417 20.980 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -20.713 -26.343 22.359 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -18.549 -28.068 22.579 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -19.453 -27.903 22.313 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.120 -27.215 22.513 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -19.297 -27.878 37.556 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -18.677 -28.555 37.283 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -19.505 -28.096 38.464 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -19.250 -32.576 34.666 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -19.546 -32.898 33.815 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -19.574 -31.676 34.708 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.896 -31.143 39.692 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.838 -31.085 39.853 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.620 -30.237 39.555 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -17.644 -29.362 36.317 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -17.219 -30.069 35.832 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -17.327 -28.561 35.900 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -16.485 -31.461 34.826 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -16.742 -32.151 34.214 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -16.414 -31.904 35.671 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -18.599 -30.821 40.277 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -18.840 -30.159 40.925 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -18.797 -31.655 40.702 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -12.244 -30.214 44.880 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -12.293 -31.169 44.843 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -13.070 -29.946 45.282 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -20.851 -26.868 33.562 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -20.926 -26.989 32.616 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -20.818 -25.918 33.681 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -18.080 -27.788 33.314 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.015 -27.688 33.493 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.800 -28.497 33.892 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.572 -35.528 29.342 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -16.530 -35.751 28.412 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -15.723 -35.130 29.532 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.962 -26.346 45.987 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -14.762 -25.922 45.152 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -14.306 -26.003 46.594 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -20.038 -32.405 31.457 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -20.333 -31.579 31.839 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -20.741 -33.025 31.653 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -14.367 -30.187 32.451 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -14.740 -31.013 32.761 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -14.090 -30.370 31.554 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -16.519 -28.588 43.667 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -17.121 -29.143 43.172 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -16.238 -27.921 43.041 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -16.109 -33.538 32.498 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -16.386 -34.266 33.054 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -15.182 -33.419 32.704 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -22.884 -31.099 28.719 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -22.645 -31.847 28.171 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -23.153 -31.487 29.551 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -21.209 -29.831 31.924 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -22.026 -29.334 31.977 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -20.680 -29.356 31.284 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -20.846 -29.236 28.857 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -21.490 -29.867 29.179 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -20.084 -29.767 28.625 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.935 -32.462 28.684 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -20.203 -32.282 29.585 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -20.141 -33.388 28.553 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -13.677 -34.939 28.962 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -13.950 -35.364 28.149 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -13.637 -34.008 28.745 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -12.970 -28.117 42.785 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -13.457 -28.852 42.414 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -12.421 -28.510 43.463 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -13.218 -34.070 32.937 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.368 -33.649 33.065 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.213 -34.810 33.545 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -13.065 -33.232 39.709 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -12.231 -33.610 39.428 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -12.953 -32.289 39.590 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -14.578 -30.354 42.016 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.226 -30.029 42.641 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -15.096 -30.794 41.341 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -12.556 -36.116 31.152 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -13.077 -35.759 30.433 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -12.589 -35.441 31.830 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -15.795 -27.594 35.435 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -15.142 -27.941 34.827 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -15.284 -27.105 36.081 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -18.800 -27.006 44.440 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -18.123 -27.638 44.200 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -18.478 -26.604 45.248 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -18.549 -28.068 41.435 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -19.453 -27.903 41.169 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -18.120 -27.215 41.369 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -20.524 -27.377 30.763 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -19.658 -27.011 30.585 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -20.771 -27.817 29.950 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -14.597 -29.063 45.593 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -15.379 -29.249 45.073 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -14.669 -28.134 45.810 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -19.297 -9.022 -19.012 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -18.677 -9.699 -19.285 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -19.505 -9.240 -18.104 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -14.799 -14.039 -13.265 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.659 -14.630 -14.004 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -14.631 -13.166 -13.621 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -12.244 -11.358 -11.688 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -12.293 -12.313 -11.725 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -13.070 -11.090 -11.286 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -14.962 -7.490 -10.581 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -14.762 -7.066 -11.416 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -14.306 -7.147 -9.974 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -12.699 -14.317 -11.745 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -13.551 -14.079 -12.112 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -12.109 -14.334 -12.498 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.519 -9.732 -12.901 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -17.121 -10.287 -13.396 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.238 -9.065 -13.527 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -15.249 -9.478 -16.934 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.405 -8.800 -17.591 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.317 -9.406 -16.731 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -18.361 -11.508 -10.357 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.712 -12.364 -10.114 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -17.635 -11.365 -9.750 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -16.783 -17.020 -11.037 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -17.064 -16.311 -11.615 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -15.840 -17.093 -11.188 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -12.533 -8.828 -16.705 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -12.555 -8.643 -15.766 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -11.843 -8.259 -17.046 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -12.970 -9.261 -13.783 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -13.457 -9.996 -14.154 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -12.421 -9.654 -13.105 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -14.578 -11.498 -14.552 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -15.226 -11.173 -13.927 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -15.096 -11.938 -15.227 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -14.181 -16.670 -11.605 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -13.598 -17.404 -11.414 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -13.617 -15.898 -11.559 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -12.684 -18.767 -10.921 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -13.547 -19.146 -11.086 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -12.080 -19.506 -10.995 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -15.795 -8.738 -21.133 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -15.142 -9.085 -21.741 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -15.284 -8.249 -20.487 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -18.800 -8.150 -12.128 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -18.123 -8.782 -12.368 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -18.478 -7.748 -11.320 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -20.876 -8.090 -16.078 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -21.333 -7.561 -16.732 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -20.713 -7.487 -15.353 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -18.549 -9.212 -15.133 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -19.453 -9.047 -15.399 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -18.120 -8.359 -15.199 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -15.944 -7.642 -14.838 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -16.126 -6.726 -15.049 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -15.768 -8.052 -15.685 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -14.597 -10.207 -10.975 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -15.379 -10.393 -11.495 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -14.669 -9.278 -10.758 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.943 -22.716 -0.282 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -16.158 -23.482 0.250 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -15.287 -22.244 0.231 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -15.896 -12.287 1.980 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.838 -12.229 2.141 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -15.620 -11.381 1.843 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -15.596 -24.001 3.397 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -16.332 -23.390 3.359 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -14.912 -23.586 2.871 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -16.485 -12.605 -2.886 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -16.742 -13.295 -3.498 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -16.414 -13.048 -2.041 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -14.799 -14.039 5.591 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -14.659 -14.630 4.852 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -14.631 -13.166 5.235 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -12.957 -17.699 3.657 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -13.609 -17.004 3.746 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -12.492 -17.489 2.847 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -16.920 -16.867 -3.685 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -17.652 -16.639 -3.112 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -16.473 -17.581 -3.230 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -17.023 -18.693 5.383 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -16.943 -17.930 5.955 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -17.624 -18.414 4.692 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -17.749 -8.858 -7.147 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -17.374 -9.602 -7.618 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -17.745 -9.128 -6.229 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -18.080 -8.932 -4.398 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -19.015 -8.832 -4.219 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -17.800 -9.641 -3.820 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -20.661 -25.289 5.015 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -20.241 -25.704 5.768 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -21.594 -25.467 5.132 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -17.335 -21.533 5.869 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -17.849 -21.659 6.666 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -17.490 -20.621 5.624 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -16.572 -16.672 -8.370 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -16.530 -16.895 -9.300 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -15.723 -16.274 -8.180 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -20.598 -19.233 7.953 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -21.161 -19.937 8.273 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -19.772 -19.353 8.420 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -18.249 -23.162 1.998 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -18.926 -23.031 2.662 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -18.735 -23.317 1.188 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -14.962 -7.490 8.275 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -14.762 -7.066 7.440 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -14.306 -7.147 8.882 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -15.014 -15.875 3.506 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -14.372 -15.418 2.963 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.844 -15.762 3.044 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -23.014 -17.735 8.017 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -23.310 -17.901 7.122 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -22.083 -17.955 8.007 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -12.663 -20.117 -5.726 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -13.217 -20.513 -6.398 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -12.562 -19.207 -6.003 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.975 -13.355 -7.440 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.622 -13.735 -6.636 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.924 -13.448 -7.354 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -16.519 -9.732 5.955 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -17.121 -10.287 5.460 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.238 -9.065 5.329 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -16.109 -14.682 -5.214 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -16.386 -15.410 -4.658 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -15.182 -14.563 -5.008 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.662 -22.758 4.252 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -18.964 -22.684 4.902 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -20.043 -23.622 4.407 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -21.142 -20.392 5.369 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -21.023 -19.818 6.126 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -20.487 -21.080 5.484 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -16.336 -18.734 0.300 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -17.133 -19.149 -0.029 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -15.891 -19.425 0.791 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -18.361 -11.508 8.499 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -18.712 -12.364 8.742 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -17.635 -11.365 9.106 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -16.242 -10.563 -8.621 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -15.959 -11.357 -8.168 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -15.502 -10.330 -9.182 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.238 -15.111 5.920 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.493 -14.523 5.800 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -17.995 -14.529 5.983 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -19.829 -16.317 9.176 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.876 -16.233 9.148 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -19.989 -17.028 9.795 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -13.677 -16.083 -8.750 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -13.950 -16.508 -9.563 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -13.637 -15.152 -8.967 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -24.509 -21.433 6.981 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -24.359 -22.162 6.378 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -24.507 -20.656 6.422 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -24.097 -23.063 4.473 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -23.561 -22.612 3.821 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -24.949 -23.171 4.051 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -16.783 -17.020 7.819 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -17.064 -16.311 7.241 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -15.840 -17.093 7.668 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -26.031 -20.235 8.892 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -26.798 -20.767 8.682 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -25.352 -20.545 8.293 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -23.291 -25.607 4.905 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -23.389 -24.660 4.799 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -24.034 -25.979 4.429 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -23.069 -26.313 7.576 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -22.357 -26.953 7.562 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -23.170 -26.046 6.662 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -12.533 -8.828 2.151 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -12.555 -8.643 3.090 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -11.843 -8.259 1.810 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -12.970 -9.261 5.073 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -13.457 -9.996 4.702 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -12.421 -9.654 5.751 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -12.824 -17.161 -2.951 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -13.550 -17.640 -2.553 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -12.243 -16.955 -2.219 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -13.065 -14.376 1.997 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -12.231 -14.754 1.716 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -12.953 -13.433 1.878 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -14.578 -11.498 4.304 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -15.226 -11.173 4.929 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -15.096 -11.938 3.629 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -12.556 -17.260 -6.560 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -13.077 -16.903 -7.279 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -12.589 -16.585 -5.882 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -14.207 -20.020 -8.009 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -14.110 -19.353 -8.689 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -14.347 -20.836 -8.491 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -15.037 -18.640 -2.388 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -15.187 -19.585 -2.408 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -15.391 -18.359 -1.544 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -14.715 -20.476 1.510 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -13.782 -20.264 1.476 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -14.950 -20.374 2.433 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -14.686 -19.739 4.286 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -15.529 -19.471 4.652 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -14.243 -18.917 4.075 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -15.795 -8.738 -2.277 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -15.142 -9.085 -2.885 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.284 -8.249 -1.631 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -15.310 -26.004 0.243 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -14.706 -25.456 -0.258 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -16.179 -25.684 0.003 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -13.583 -24.865 -1.423 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -12.971 -25.379 -1.950 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -13.200 -23.987 -1.400 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -13.815 -8.958 -4.269 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -14.009 -9.706 -4.834 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -13.854 -8.200 -4.853 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -26.195 -25.612 9.006 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -25.296 -25.886 8.821 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -26.581 -26.355 9.470 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -14.597 -10.207 7.881 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -15.379 -10.393 7.361 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.669 -9.278 8.098 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -19.047 -16.321 16.767 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -18.958 -15.377 16.635 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -19.686 -16.596 16.109 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -20.114 -17.066 20.186 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -20.152 -17.712 20.891 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -20.437 -17.532 19.415 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.408 -14.127 18.488 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.849 -14.847 18.938 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.421 -13.406 19.118 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -18.584 -20.239 20.920 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -18.441 -21.186 20.940 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -18.690 -20.032 19.991 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -15.896 -12.287 20.836 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -16.838 -12.229 20.997 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -15.620 -11.381 20.699 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -22.593 -25.914 19.719 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -22.710 -26.863 19.665 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -23.448 -25.582 19.992 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -17.644 -10.506 17.461 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -17.219 -11.213 16.976 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -17.327 -9.705 17.044 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -16.485 -12.605 15.970 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -16.742 -13.295 15.358 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -16.414 -13.048 16.815 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -14.799 -14.039 24.447 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -14.659 -14.630 23.708 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.631 -13.166 24.091 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -20.326 -17.077 14.219 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -21.038 -16.542 13.868 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -19.635 -17.021 13.559 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -20.272 -18.619 11.258 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -19.571 -18.597 11.909 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -19.970 -19.247 10.602 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -16.920 -16.867 15.171 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -17.652 -16.639 15.744 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -16.473 -17.581 15.626 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.049 -17.705 12.856 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -17.470 -17.555 13.603 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -17.635 -17.234 12.133 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -12.244 -11.358 26.024 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -12.293 -12.313 25.987 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -13.070 -11.090 26.426 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -17.749 -8.858 11.709 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -17.374 -9.602 11.238 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -17.745 -9.128 12.627 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.080 -8.932 14.458 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -19.015 -8.832 14.637 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -17.800 -9.641 15.036 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -20.661 -25.289 23.871 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -20.241 -25.704 24.624 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -21.594 -25.467 23.988 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -17.335 -21.533 24.725 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -17.849 -21.659 25.522 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -17.490 -20.621 24.480 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -25.236 -19.824 16.504 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -26.129 -20.165 16.445 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -24.785 -20.201 15.748 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -19.700 -19.408 15.321 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -20.109 -18.593 15.029 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.980 -19.548 14.706 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -20.598 -19.233 26.809 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -21.161 -19.937 27.129 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -19.772 -19.353 27.276 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -18.696 -19.962 18.135 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -18.891 -19.357 17.420 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.514 -20.796 17.700 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -24.117 -22.351 10.257 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -24.548 -22.796 10.987 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -24.835 -21.979 9.745 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -19.432 -18.324 22.806 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -19.108 -18.955 22.163 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -19.872 -18.859 23.467 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -22.654 -22.397 17.590 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -23.565 -22.340 17.879 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -22.149 -22.457 18.401 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -24.173 -20.768 14.073 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -23.241 -20.639 14.251 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -24.388 -20.098 13.424 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -25.499 -19.573 11.640 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -26.041 -19.953 10.949 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -24.665 -19.379 11.211 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -21.334 -19.609 19.477 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -20.770 -20.156 18.930 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -21.482 -20.131 20.266 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -26.332 -23.473 15.895 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -26.649 -24.375 15.860 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -25.551 -23.471 15.343 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -15.014 -15.875 22.362 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.372 -15.418 21.819 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -15.844 -15.762 21.900 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -17.548 -20.327 13.436 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -16.656 -20.464 13.755 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -17.491 -19.536 12.899 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -18.394 -12.362 24.763 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -19.295 -12.179 24.495 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -18.360 -12.103 25.684 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -12.699 -14.317 25.967 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -13.551 -14.079 25.600 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -12.109 -14.334 25.214 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.367 -11.331 13.595 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -14.740 -12.157 13.905 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.090 -11.514 12.698 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -17.207 -16.523 20.617 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -18.135 -16.755 20.590 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -16.756 -17.300 20.287 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -19.178 -14.284 22.342 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -19.604 -14.511 23.168 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -18.597 -15.022 22.159 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.975 -13.355 11.416 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -16.622 -13.735 12.220 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -17.924 -13.448 11.502 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -12.471 -8.875 11.617 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -11.728 -8.289 11.477 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -13.166 -8.307 11.950 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -16.109 -14.682 13.642 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -16.386 -15.410 14.198 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -15.182 -14.563 13.848 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -19.662 -22.758 23.108 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -18.964 -22.684 23.758 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -20.043 -23.622 23.263 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -25.137 -23.234 12.666 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -25.220 -22.345 13.012 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -24.247 -23.499 12.897 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -15.249 -9.478 20.778 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -15.405 -8.800 20.121 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -14.317 -9.406 20.981 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.242 -10.563 10.235 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -15.959 -11.357 10.688 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -15.502 -10.330 9.674 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -19.935 -13.606 9.828 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -20.203 -13.426 10.729 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -20.141 -14.532 9.697 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -17.238 -15.111 24.776 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -16.493 -14.523 24.656 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -17.995 -14.529 24.839 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -23.067 -18.438 10.661 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -23.247 -18.592 9.733 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -22.116 -18.330 10.705 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -19.829 -16.317 28.032 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -18.876 -16.233 28.004 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -19.989 -17.028 28.651 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -18.099 -19.809 28.597 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -17.907 -20.740 28.486 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -17.242 -19.384 28.587 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -16.783 -17.020 26.675 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -17.064 -16.311 26.097 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -15.840 -17.093 26.524 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -19.311 -22.158 26.400 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -20.259 -22.126 26.532 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -18.999 -22.783 27.054 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -17.677 -23.524 28.405 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -17.774 -24.476 28.399 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -17.999 -23.255 29.266 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -23.069 -26.313 26.432 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -22.357 -26.953 26.418 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -23.170 -26.046 25.518 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.533 -8.828 21.007 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -12.555 -8.643 21.946 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -11.843 -8.259 20.666 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -12.970 -9.261 23.929 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -13.457 -9.996 23.558 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -12.421 -9.654 24.607 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.519 -13.471 28.567 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -15.385 -13.576 28.961 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -14.143 -12.712 29.014 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -14.578 -11.498 23.160 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -15.226 -11.173 23.785 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -15.096 -11.938 22.485 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -15.037 -18.640 16.468 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.187 -19.585 16.448 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.391 -18.359 17.312 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.795 -8.738 16.579 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.142 -9.085 15.971 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -15.284 -8.249 17.225 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -20.452 -24.111 18.987 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -21.127 -24.740 19.242 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -19.888 -24.595 18.384 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -23.546 -25.550 16.622 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -22.672 -25.162 16.592 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -23.682 -25.765 17.545 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -27.428 -23.763 11.055 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -26.937 -24.393 10.527 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -26.805 -23.467 11.718 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -13.815 -8.958 14.587 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -14.009 -9.706 14.022 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -13.854 -8.200 14.003 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -18.584 -20.239 39.776 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -18.441 -21.186 39.796 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -18.690 -20.032 38.847 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -17.707 -22.007 35.449 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -17.061 -22.336 36.074 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -17.197 -21.489 34.826 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -12.670 -21.554 42.545 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.359 -20.896 42.450 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -12.655 -21.751 43.482 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -15.943 -22.716 37.430 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -16.158 -23.482 37.962 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.287 -22.244 37.943 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -18.049 -17.705 31.712 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -17.470 -17.555 32.459 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -17.635 -17.234 30.989 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -13.161 -11.589 29.902 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -13.088 -10.650 30.072 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -12.256 -11.894 29.845 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -17.335 -21.533 43.581 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -17.849 -21.659 44.378 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.490 -20.621 43.336 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -16.572 -16.672 29.342 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -16.530 -16.895 28.412 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -15.723 -16.274 29.532 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -18.249 -23.162 39.710 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -18.926 -23.031 40.374 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -18.735 -23.317 38.900 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -18.266 -22.194 30.631 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -19.204 -22.082 30.480 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -17.969 -21.337 30.937 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -17.548 -20.327 32.292 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -16.656 -20.464 32.611 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -17.491 -19.536 31.755 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -16.975 -13.355 30.272 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -16.622 -13.735 31.076 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -17.924 -13.448 30.358 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -16.109 -14.682 32.498 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.386 -15.410 33.054 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.182 -14.563 32.704 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -19.662 -22.758 41.964 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -18.964 -22.684 42.614 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -20.043 -23.622 42.119 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -18.878 -23.106 33.061 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -18.658 -22.634 32.258 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -18.320 -22.711 33.732 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -14.938 -22.485 43.916 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.854 -22.222 43.828 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -14.602 -22.488 43.019 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -16.336 -18.734 38.012 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -17.133 -19.149 37.683 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -15.891 -19.425 38.503 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -13.218 -15.214 32.937 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -12.368 -14.793 33.065 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -13.213 -15.954 33.545 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.824 -17.161 34.761 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -13.550 -17.640 35.159 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.243 -16.955 35.493 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.037 -18.640 35.324 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -15.187 -19.585 35.304 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -15.391 -18.359 36.168 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -15.327 -21.057 33.786 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -15.047 -21.964 33.911 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -14.568 -20.623 33.397 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -14.715 -20.476 39.222 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -13.782 -20.264 39.188 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -14.950 -20.374 40.145 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -14.686 -19.739 41.998 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.529 -19.471 42.364 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -14.243 -18.917 41.787 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -12.403 -25.759 47.352 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -12.053 -26.413 46.746 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -12.256 -24.922 46.912 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -12.883 -23.650 45.701 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -13.800 -23.379 45.665 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.760 -24.185 44.917 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -13.882 -25.560 43.520 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -14.695 -25.235 43.132 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.649 -26.320 42.987 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -20.452 -24.111 37.843 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -21.127 -24.740 38.098 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -19.888 -24.595 37.240 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -17.989 -25.520 37.127 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -17.913 -25.425 36.178 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -18.265 -26.428 37.256 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -16.636 -25.494 32.820 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -17.339 -24.880 32.610 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -17.081 -26.332 32.951 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -19.047 2.535 -20.945 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -18.958 3.479 -21.077 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -19.686 2.260 -21.603 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -20.114 1.790 -17.526 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -20.152 1.144 -16.821 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -20.437 1.324 -18.297 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -16.408 4.729 -19.224 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -16.849 4.009 -18.774 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -16.421 5.450 -18.594 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -17.707 -3.151 -21.119 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -17.061 -3.480 -20.494 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -17.197 -2.633 -21.742 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -15.896 6.569 -16.876 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -16.838 6.627 -16.715 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -15.620 7.475 -17.013 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -22.593 -7.058 -17.993 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -22.710 -8.007 -18.047 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -23.448 -6.726 -17.720 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -16.920 1.989 -22.541 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -17.652 2.217 -21.968 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -16.473 1.275 -22.086 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -17.023 0.163 -13.473 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -16.943 0.926 -12.901 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -17.624 0.442 -14.164 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -15.092 -1.009 -11.208 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -15.499 -0.528 -11.928 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -15.051 -1.914 -11.515 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -20.661 -6.433 -13.841 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -20.241 -6.848 -13.088 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -21.594 -6.611 -13.724 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -19.700 -0.552 -22.391 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -20.109 0.263 -22.683 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -18.980 -0.692 -23.006 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -20.598 -0.377 -10.903 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -21.161 -1.081 -10.583 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -19.772 -0.497 -10.436 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -18.696 -1.106 -19.577 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -18.891 -0.501 -20.292 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -18.514 -1.940 -20.012 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -19.432 0.532 -14.906 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -19.108 -0.099 -15.549 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -19.872 -0.003 -14.245 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -22.654 -3.541 -20.122 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -23.565 -3.484 -19.833 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -22.149 -3.601 -19.311 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -14.962 11.366 -10.581 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -14.762 11.790 -11.416 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -14.306 11.709 -9.974 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -21.334 -0.753 -18.235 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -20.770 -1.300 -18.782 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -21.482 -1.275 -17.446 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -22.708 -2.365 -15.821 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -23.543 -1.911 -15.711 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -22.184 -2.089 -15.069 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -15.014 2.981 -15.350 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -14.372 3.438 -15.893 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -15.844 3.094 -15.812 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -18.394 6.494 -12.949 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -19.295 6.677 -13.217 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -18.360 6.753 -12.028 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -17.207 2.333 -17.095 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -18.135 2.101 -17.122 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -16.756 1.556 -17.425 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -16.519 9.124 -12.901 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -17.121 8.569 -13.396 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -16.238 9.791 -13.527 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -19.662 -3.902 -14.604 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -18.964 -3.828 -13.954 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -20.043 -4.766 -14.449 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -18.878 -4.250 -23.507 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -18.658 -3.778 -24.310 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -18.320 -3.855 -22.836 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -21.142 -1.536 -13.487 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -21.023 -0.962 -12.730 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -20.487 -2.224 -13.372 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -20.794 -5.441 -21.734 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -21.141 -4.823 -21.089 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -20.136 -4.940 -22.215 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -15.249 9.378 -16.934 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -15.405 10.056 -17.591 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -14.317 9.450 -16.731 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -18.361 7.348 -10.357 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -18.712 6.492 -10.114 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -17.635 7.491 -9.750 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -17.238 3.745 -12.936 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -16.493 4.333 -13.056 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -17.995 4.327 -12.873 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -18.099 -0.953 -9.115 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -17.907 -1.884 -9.226 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -17.242 -0.528 -9.125 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -16.783 1.836 -11.037 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -17.064 2.545 -11.615 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -15.840 1.763 -11.188 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -19.311 -3.302 -11.312 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -20.259 -3.270 -11.180 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -18.999 -3.927 -10.658 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -17.677 -4.668 -9.307 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -17.774 -5.620 -9.313 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -17.999 -4.399 -8.446 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -12.533 10.028 -16.705 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -12.555 10.213 -15.766 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -11.843 10.597 -17.046 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -12.970 9.595 -13.783 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -13.457 8.860 -14.154 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -12.421 9.202 -13.105 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -14.519 5.385 -9.145 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -15.385 5.280 -8.751 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -14.143 6.144 -8.698 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -12.824 1.695 -21.807 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -13.550 1.216 -21.409 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -12.243 1.901 -21.075 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -13.065 4.480 -16.859 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -12.231 4.102 -17.140 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -12.953 5.423 -16.978 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -14.578 7.358 -14.552 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -15.226 7.683 -13.927 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -15.096 6.918 -15.227 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -15.037 0.216 -21.244 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -15.187 -0.729 -21.264 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -15.391 0.497 -20.400 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -12.684 0.089 -10.921 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -13.547 -0.290 -11.086 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -12.080 -0.650 -10.995 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -15.327 -2.201 -22.782 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -15.047 -3.108 -22.657 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -14.568 -1.767 -23.171 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -12.403 -6.903 -9.216 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -12.053 -7.557 -9.822 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -12.256 -6.066 -9.656 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -14.713 -4.938 -22.733 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -14.531 -5.387 -21.908 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -15.313 -5.523 -23.197 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -12.883 -4.794 -10.867 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -13.800 -4.523 -10.903 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -12.760 -5.329 -11.651 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -13.882 -6.704 -13.048 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -14.695 -6.379 -13.436 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -13.649 -7.464 -13.581 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -20.452 -5.255 -18.725 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -21.127 -5.884 -18.470 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -19.888 -5.739 -19.328 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -15.310 -7.148 -18.613 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -14.706 -6.600 -19.114 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -16.179 -6.828 -18.853 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -13.583 -6.009 -20.279 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -12.971 -6.523 -20.806 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -13.200 -5.131 -20.256 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -17.989 -6.664 -19.441 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -17.913 -6.569 -20.390 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -18.265 -7.572 -19.312 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -17.773 -7.424 -9.668 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -17.697 -7.850 -8.814 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -16.880 -7.410 -10.010 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -14.597 8.649 -10.975 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -15.379 8.463 -11.495 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -14.669 9.578 -10.758 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -19.047 2.535 -2.089 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -18.958 3.479 -2.221 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -19.686 2.260 -2.747 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -16.408 4.729 -0.368 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -16.849 4.009 0.082 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -16.421 5.450 0.262 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -13.062 -4.176 2.597 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -13.013 -3.566 3.333 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -12.636 -3.715 1.874 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -17.707 -3.151 -2.263 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -17.061 -3.480 -1.638 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -17.197 -2.633 -2.886 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -12.670 -2.698 4.833 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -13.359 -2.040 4.738 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -12.655 -2.895 5.770 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -15.943 -3.860 -0.282 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -16.158 -4.626 0.250 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -15.287 -3.388 0.231 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -16.485 6.251 -2.886 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -16.742 5.561 -3.498 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -16.414 5.808 -2.041 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -20.326 1.779 -4.637 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -21.038 2.314 -4.988 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -19.635 1.835 -5.297 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -20.272 0.237 -7.598 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -19.571 0.259 -6.947 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -19.970 -0.391 -8.254 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -16.920 1.989 -3.685 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -17.652 2.217 -3.112 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -16.473 1.275 -3.230 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -18.049 1.151 -6.000 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -17.470 1.301 -5.253 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -17.635 1.622 -6.723 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -14.351 -7.099 -6.187 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -15.250 -6.960 -5.892 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -14.099 -6.268 -6.589 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -13.161 7.267 -7.810 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -13.088 8.206 -7.640 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -12.256 6.962 -7.867 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -16.572 2.184 -8.370 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -16.530 1.961 -9.300 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -15.723 2.582 -8.180 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -19.700 -0.552 -3.535 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -20.109 0.263 -3.827 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -18.980 -0.692 -4.150 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -18.696 -1.106 -0.721 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -18.891 -0.501 -1.436 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -18.514 -1.940 -1.156 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -18.266 -3.338 -7.081 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -19.204 -3.226 -7.232 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -17.969 -2.481 -6.775 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -17.548 -1.471 -5.420 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -16.656 -1.608 -5.101 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -17.491 -0.680 -5.957 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -14.367 7.525 -5.261 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -14.740 6.699 -4.951 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -14.090 7.342 -6.158 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -16.975 5.501 -7.440 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -16.622 5.121 -6.636 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -17.924 5.408 -7.354 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -12.471 9.981 -7.239 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -11.728 10.567 -7.379 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -13.166 10.549 -6.906 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -16.109 4.174 -5.214 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -16.386 3.446 -4.658 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -15.182 4.293 -5.008 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -18.878 -4.250 -4.651 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -18.658 -3.778 -5.454 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -18.320 -3.855 -3.980 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -16.336 0.122 0.300 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -17.133 -0.293 -0.029 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -15.891 -0.569 0.791 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -16.242 8.293 -8.621 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -15.959 7.499 -8.168 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -15.502 8.526 -9.182 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -14.959 -3.756 -8.892 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -14.349 -4.128 -8.255 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -15.796 -4.178 -8.696 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -15.327 -2.201 -3.926 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -15.047 -3.108 -3.801 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -14.568 -1.767 -4.315 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -14.715 -1.620 1.510 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -13.782 -1.408 1.476 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -14.950 -1.518 2.433 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -12.403 -6.903 9.640 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -12.053 -7.557 9.034 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -12.256 -6.066 9.200 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -13.882 -6.704 5.808 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -14.695 -6.379 5.420 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -13.649 -7.464 5.275 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -15.310 -7.148 0.243 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -14.706 -6.600 -0.258 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -16.179 -6.828 0.003 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -13.583 -6.009 -1.423 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -12.971 -6.523 -1.950 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -13.200 -5.131 -1.400 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -16.636 -6.638 -4.892 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -17.339 -6.024 -5.102 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -17.081 -7.476 -4.761 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -14.351 -7.099 12.669 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -15.250 -6.960 12.964 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -14.099 -6.268 12.267 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -14.713 -4.938 14.979 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -14.531 -5.387 15.804 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -15.313 -5.523 14.515 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -12.847 -4.871 11.507 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -12.434 -5.592 11.031 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -12.165 -4.201 11.565 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -15.310 -7.148 19.099 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -14.706 -6.600 18.598 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -16.179 -6.828 18.859 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -13.583 -6.009 17.433 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -12.971 -6.523 16.906 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -13.200 -5.131 17.456 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -16.636 -6.638 13.964 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -17.339 -6.024 13.754 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -17.081 -7.476 14.095 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -12.403 11.953 -9.216 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -12.053 11.299 -9.822 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -12.256 12.790 -9.656 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -13.882 12.152 -13.048 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -14.695 12.477 -13.436 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -13.649 11.392 -13.581 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -8.890 -36.307 2.923 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -8.848 -36.933 3.647 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -8.187 -35.684 3.105 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 2.448 -32.983 -0.368 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 2.007 -33.703 0.082 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 2.435 -32.262 0.262 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -7.966 -31.857 1.458 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -8.336 -32.659 1.089 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -7.025 -32.026 1.505 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -0.441 -27.878 -0.156 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 0.179 -28.555 -0.429 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -0.649 -28.096 0.752 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -2.869 -33.489 1.736 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -2.565 -34.175 1.142 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -2.147 -33.371 2.354 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -5.194 -34.400 3.698 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -5.934 -33.802 3.801 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -4.480 -33.846 3.382 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -6.786 -32.436 4.485 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -6.792 -31.557 4.107 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -7.640 -32.519 4.910 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 2.960 -31.143 1.980 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 2.018 -31.085 2.141 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 3.236 -30.237 1.843 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 1.212 -29.362 -1.395 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 1.637 -30.069 -1.880 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 1.529 -28.561 -1.812 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 4.057 -32.895 5.591 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 4.197 -33.486 4.852 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 4.225 -32.022 5.235 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -5.052 -31.665 0.879 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -5.147 -32.243 0.122 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -4.323 -32.036 1.375 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 0.257 -30.821 2.565 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 0.016 -30.159 3.213 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 0.059 -31.655 2.990 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -8.252 -35.727 5.777 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -8.182 -35.076 6.475 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -9.143 -35.624 5.442 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -11.585 -30.880 1.486 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -10.639 -31.024 1.467 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -11.698 -30.096 2.023 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 6.612 -30.214 7.168 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 6.563 -31.169 7.131 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 5.786 -29.946 7.570 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -1.995 -26.868 -4.150 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -2.070 -26.989 -5.096 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -1.962 -25.918 -4.031 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -8.341 -28.079 -2.369 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -8.189 -28.427 -1.490 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -9.192 -28.435 -2.624 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -8.627 -38.581 4.603 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -8.665 -38.181 5.471 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -9.118 -39.398 4.693 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 3.842 -34.731 3.506 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 4.484 -34.274 2.963 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 3.012 -34.618 3.044 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -1.788 -33.680 5.957 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -2.134 -34.061 6.763 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -1.988 -32.746 6.028 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -4.158 -36.591 8.017 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -4.454 -36.757 7.122 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -3.227 -36.811 8.007 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 6.157 -33.173 7.111 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 5.305 -32.935 6.744 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 6.747 -33.190 6.358 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 1.649 -35.379 1.761 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 0.721 -35.611 1.734 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 2.100 -36.156 1.431 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -5.808 -31.051 -2.106 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -5.281 -30.278 -2.307 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -6.688 -30.826 -2.408 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -5.697 -28.366 -2.985 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -6.647 -28.261 -2.933 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -5.346 -27.546 -2.640 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -0.322 -33.140 3.486 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -0.748 -33.367 4.312 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 0.259 -33.878 3.303 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 1.618 -33.967 5.920 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 2.363 -33.379 5.800 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 0.861 -33.385 5.983 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -9.940 -36.653 8.524 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -9.532 -37.510 8.403 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -10.200 -36.638 9.445 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -0.973 -35.173 9.176 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -0.020 -35.089 9.148 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -1.133 -35.884 9.795 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -3.659 -36.480 4.713 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -2.908 -36.636 4.140 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -3.998 -35.628 4.437 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 0.757 -38.665 9.741 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 0.949 -39.596 9.630 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 1.614 -38.240 9.731 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 2.073 -35.876 7.819 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 1.792 -35.167 7.241 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 3.016 -35.949 7.668 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -12.096 -26.574 -2.634 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -12.743 -27.036 -3.167 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -11.741 -27.246 -2.051 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -11.226 -28.493 -0.829 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -11.560 -29.374 -0.657 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -11.004 -28.148 0.035 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 6.323 -27.684 2.151 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 6.301 -27.499 3.090 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 7.013 -27.115 1.810 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 4.337 -32.327 9.711 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 3.471 -32.432 10.105 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 4.713 -31.568 10.158 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 5.791 -33.232 1.997 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 6.625 -33.610 1.716 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 5.903 -32.289 1.878 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -11.146 -35.418 1.622 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -10.962 -35.500 0.687 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -10.297 -35.542 2.046 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 4.675 -35.526 7.251 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 5.258 -36.260 7.442 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 5.239 -34.754 7.297 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -11.548 -40.147 7.763 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -10.629 -40.269 7.999 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -11.998 -40.897 8.152 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -12.023 -38.836 1.723 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -11.531 -39.057 0.933 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -11.661 -37.995 2.004 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 3.061 -27.594 -2.277 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 3.714 -27.941 -2.885 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 3.572 -27.105 -1.631 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -2.020 -26.946 2.778 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -2.477 -26.417 2.124 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -1.857 -26.343 3.503 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -7.642 -29.101 0.138 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -7.861 -30.017 0.307 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -6.818 -28.961 0.604 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -5.105 -28.631 0.986 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -4.892 -29.519 0.699 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -5.040 -28.665 1.941 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -8.890 -36.307 21.779 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -8.848 -36.933 22.503 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -8.187 -35.684 21.961 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -11.356 -38.197 15.707 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -11.804 -37.351 15.689 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -11.917 -38.777 15.192 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -10.646 -36.035 17.833 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -10.432 -36.805 18.360 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -9.908 -35.946 17.230 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 0.272 -39.095 20.920 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 0.415 -40.042 20.940 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 0.166 -38.888 19.991 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -9.953 -38.597 18.954 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -9.299 -39.147 19.386 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -9.929 -38.871 18.038 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -4.797 -37.047 18.170 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -4.181 -37.573 18.679 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -5.383 -37.687 17.766 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 4.057 -32.895 24.447 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 4.197 -33.486 23.708 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 4.225 -32.022 24.091 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -1.416 -37.475 11.258 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -0.715 -37.453 11.909 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -1.114 -38.103 10.602 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 5.899 -36.555 22.513 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 5.247 -35.860 22.602 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 6.364 -36.345 21.703 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 1.936 -35.723 15.171 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 1.204 -35.495 15.744 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 2.383 -36.437 15.626 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 1.833 -37.549 24.239 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 1.913 -36.786 24.811 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 1.232 -37.270 23.548 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -6.052 -36.324 20.687 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -5.487 -36.203 19.924 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -5.733 -35.687 21.326 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 0.807 -36.561 12.856 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 1.386 -36.411 13.603 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 1.221 -36.090 12.133 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -8.252 -35.727 24.633 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -8.182 -35.076 25.331 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -9.143 -35.624 24.298 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -7.429 -36.023 14.643 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -7.721 -35.255 14.152 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -8.103 -36.683 14.480 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -11.336 -33.660 23.458 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -11.837 -33.688 22.643 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -11.330 -34.566 23.768 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -9.087 -32.337 24.501 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -8.870 -32.698 25.361 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -9.942 -32.711 24.291 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 1.521 -40.389 24.725 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 1.007 -40.515 25.522 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 1.366 -39.477 24.480 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 2.284 -35.528 10.486 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 2.326 -35.751 9.556 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 3.133 -35.130 10.676 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -6.377 -38.901 21.592 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -7.019 -38.942 22.301 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -6.340 -37.975 21.354 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -6.380 -38.680 16.504 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -7.273 -39.021 16.445 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -5.929 -39.057 15.748 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -0.844 -38.264 15.321 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -1.253 -37.449 15.029 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -0.124 -38.404 14.706 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -1.742 -38.089 26.809 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -2.305 -38.793 27.129 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -0.916 -38.209 27.276 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 0.160 -38.818 18.135 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -0.035 -38.213 17.420 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 0.342 -39.652 17.700 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -8.627 -38.581 23.459 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -8.665 -38.181 24.327 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -9.118 -39.398 23.549 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -2.478 -38.465 19.477 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -1.914 -39.012 18.930 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -2.626 -38.987 20.266 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -3.852 -40.077 21.891 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -4.687 -39.623 22.001 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -3.328 -39.801 22.643 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 3.842 -34.731 22.362 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 4.484 -34.274 21.819 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 3.012 -34.618 21.900 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 1.308 -39.183 13.436 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 2.200 -39.320 13.755 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 1.365 -38.392 12.899 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -8.183 -34.569 19.345 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -7.438 -34.571 18.744 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -8.105 -35.393 19.827 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -11.175 -36.108 24.660 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -10.952 -36.526 25.492 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -11.777 -36.721 24.238 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -4.158 -36.591 26.873 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -4.454 -36.757 25.978 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -3.227 -36.811 26.863 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 6.157 -33.173 25.967 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 5.305 -32.935 25.600 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 6.747 -33.190 25.214 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 1.649 -35.379 20.617 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 0.721 -35.611 20.590 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 2.100 -36.156 20.287 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -10.053 -36.189 11.337 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -9.437 -35.562 11.716 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -10.915 -35.873 11.608 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -8.638 -34.276 12.829 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -9.324 -33.924 13.396 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -8.115 -33.513 12.583 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -2.286 -39.248 24.225 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -2.167 -38.674 24.982 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -1.631 -39.936 24.340 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 2.520 -37.590 19.156 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 1.723 -38.005 18.827 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 2.965 -38.281 19.647 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -9.706 -38.998 10.842 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -9.751 -38.059 11.021 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -10.594 -39.234 10.572 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 1.618 -33.967 24.776 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 2.363 -33.379 24.656 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 0.861 -33.385 24.839 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -9.940 -36.653 27.380 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -9.532 -37.510 27.259 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -10.200 -36.638 28.301 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -5.282 -35.537 12.398 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -5.741 -36.021 13.084 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -5.027 -36.205 11.762 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -5.993 -37.644 24.754 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -6.611 -36.969 25.035 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -5.649 -37.323 23.921 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -4.211 -37.294 10.661 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -4.391 -37.448 9.733 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -3.260 -37.186 10.705 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -0.973 -35.173 28.032 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -0.020 -35.089 28.004 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -1.133 -35.884 28.651 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 5.179 -34.939 10.106 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 4.906 -35.364 9.293 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 5.219 -34.008 9.889 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -5.653 -40.289 25.837 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -5.503 -41.018 25.234 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -5.651 -39.512 25.278 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 2.073 -35.876 26.675 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 1.792 -35.167 26.097 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 3.016 -35.949 26.524 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -7.175 -39.091 27.748 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -7.942 -39.623 27.538 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -6.496 -39.401 27.149 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -3.171 -40.141 27.324 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -3.407 -40.361 28.226 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -3.954 -40.348 26.815 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 4.337 -32.327 28.567 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 3.471 -32.432 28.961 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 4.713 -31.568 29.014 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 5.638 -34.070 14.081 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 6.488 -33.649 14.209 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 5.643 -34.810 14.689 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 6.032 -36.017 15.905 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 5.306 -36.496 16.303 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 6.613 -35.811 16.637 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 5.791 -33.232 20.853 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 6.625 -33.610 20.572 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 5.903 -32.289 20.734 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 3.819 -37.496 16.468 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 3.669 -38.441 16.448 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 3.465 -37.215 17.312 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -11.146 -35.418 20.478 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -10.962 -35.500 19.543 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -10.297 -35.542 20.902 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 4.675 -35.526 26.107 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 5.258 -36.260 26.298 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 5.239 -34.754 26.153 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 4.170 -38.595 23.142 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 3.327 -38.327 23.508 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 4.613 -37.773 22.931 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.966 -31.857 39.170 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -8.336 -32.659 38.801 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -7.025 -32.026 39.217 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -0.441 -27.878 37.556 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 0.179 -28.555 37.283 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -0.649 -28.096 38.464 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -0.394 -32.576 34.666 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -0.690 -32.898 33.815 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -0.718 -31.676 34.708 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -10.665 -32.765 32.979 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -10.937 -32.536 32.090 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -10.620 -31.927 33.439 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 1.212 -29.362 36.317 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 1.637 -30.069 35.832 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 1.529 -28.561 35.900 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 2.371 -31.461 34.826 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 2.114 -32.151 34.214 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 2.442 -31.904 35.671 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -1.470 -35.933 33.075 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -2.182 -35.398 32.724 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -0.779 -35.877 32.415 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -1.416 -37.475 30.114 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -0.715 -37.453 30.765 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -1.114 -38.103 29.458 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -6.419 -35.093 35.910 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -6.749 -35.463 35.091 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -5.831 -35.763 36.256 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -5.052 -31.665 38.591 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -5.147 -32.243 37.834 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -4.323 -32.036 39.087 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -1.467 -29.824 35.147 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -0.993 -29.529 35.925 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -2.030 -29.086 34.914 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -6.933 -29.853 45.024 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -6.925 -29.989 44.076 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -7.849 -29.971 45.276 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -7.429 -36.023 33.499 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -7.721 -35.255 33.008 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -8.103 -36.683 33.336 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 5.695 -30.445 29.902 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 5.768 -29.506 30.072 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 6.600 -30.750 29.845 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -11.585 -30.880 39.198 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -10.639 -31.024 39.179 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -11.698 -30.096 39.735 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -9.087 -32.337 43.357 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -8.870 -32.698 44.217 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -9.942 -32.711 43.147 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 2.284 -35.528 29.342 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 2.326 -35.751 28.412 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 3.133 -35.130 29.532 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -6.643 -38.429 30.496 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -7.185 -38.809 29.805 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -5.809 -38.235 30.067 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -3.308 -33.864 32.432 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -4.052 -34.371 32.109 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -3.442 -33.815 33.378 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -1.182 -32.405 31.457 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -1.477 -31.579 31.839 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -1.885 -33.025 31.653 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 4.489 -30.187 32.451 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 4.116 -31.013 32.761 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 4.766 -30.370 31.554 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -5.808 -31.051 35.606 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -5.281 -30.278 35.405 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -6.688 -30.826 35.304 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -10.053 -36.189 30.193 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -9.437 -35.562 30.572 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -10.915 -35.873 30.464 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -4.381 -33.388 35.182 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -4.622 -32.463 35.224 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -5.121 -33.847 35.578 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -3.866 -29.239 41.497 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -3.503 -28.384 41.264 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -3.334 -29.531 42.238 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 1.881 -32.211 30.272 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 2.234 -32.591 31.076 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 0.932 -32.304 30.358 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 2.747 -33.538 32.498 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 2.470 -34.266 33.054 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 3.674 -33.419 32.704 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -9.890 -29.550 41.509 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -9.673 -30.482 41.478 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -9.643 -29.276 42.393 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -8.638 -34.276 31.685 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -9.324 -33.924 32.252 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -8.115 -33.513 31.439 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -10.679 -27.663 45.862 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -10.139 -27.880 46.621 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -11.160 -28.469 45.672 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -5.282 -35.537 31.254 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -5.741 -36.021 31.940 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -5.027 -36.205 30.618 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -4.211 -37.294 29.517 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -4.391 -37.448 28.589 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -3.260 -37.186 29.561 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 5.179 -34.939 28.962 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 4.906 -35.364 28.149 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 5.219 -34.008 28.745 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.061 -27.594 35.435 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 3.714 -27.941 34.827 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 3.572 -27.105 36.081 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -6.600 -29.690 42.237 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -7.025 -28.881 41.954 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -5.695 -29.605 41.935 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -6.731 -26.834 41.314 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -7.596 -26.762 41.718 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -6.786 -26.287 40.530 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -2.020 -26.946 40.490 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -2.477 -26.417 39.836 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -1.857 -26.343 41.215 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -5.105 -28.631 38.698 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -4.892 -29.519 38.411 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -5.040 -28.665 39.653 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -5.194 -15.544 -15.158 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -5.934 -14.946 -15.055 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -4.480 -14.990 -15.474 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -6.786 -13.580 -14.371 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -6.792 -12.701 -14.749 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -7.640 -13.663 -13.946 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 0.257 -11.965 -16.291 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 0.016 -11.303 -15.643 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 0.059 -12.799 -15.866 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -8.252 -16.871 -13.079 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -8.182 -16.220 -12.381 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -9.143 -16.768 -13.414 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -11.336 -14.804 -14.254 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -11.837 -14.832 -15.069 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -11.330 -15.710 -13.944 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -9.087 -13.481 -13.211 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -8.870 -13.842 -12.351 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -9.942 -13.855 -13.421 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 3.894 -7.490 -10.581 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 4.094 -7.066 -11.416 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 4.550 -7.147 -9.974 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -8.508 -15.016 -10.973 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -7.775 -14.762 -10.412 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -9.288 -14.812 -10.458 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -1.788 -14.824 -12.899 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -2.134 -15.205 -12.093 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -1.988 -13.890 -12.828 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -11.175 -17.252 -13.052 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -10.952 -17.670 -12.220 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -11.777 -17.865 -13.474 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -4.158 -17.735 -10.839 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -4.454 -17.901 -11.734 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -3.227 -17.955 -10.849 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 0.462 -12.362 -12.949 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -0.439 -12.179 -13.217 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 0.496 -12.103 -12.028 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -3.866 -10.383 -15.071 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -3.503 -9.528 -15.304 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -3.334 -10.675 -14.330 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -0.322 -14.284 -15.370 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -0.748 -14.511 -14.544 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 0.259 -15.022 -15.553 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 2.337 -9.732 -12.901 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 1.735 -10.287 -13.396 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 2.618 -9.065 -13.527 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -9.890 -10.694 -15.059 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -9.673 -11.626 -15.090 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -9.643 -10.420 -14.175 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -10.679 -8.807 -10.706 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -10.139 -9.024 -9.947 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -11.160 -9.613 -10.896 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -4.117 -15.027 -10.319 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -4.445 -14.756 -11.177 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -3.965 -15.968 -10.407 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 1.618 -15.111 -12.936 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 2.363 -14.523 -13.056 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 0.861 -14.529 -12.873 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -9.940 -17.797 -10.332 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -9.532 -18.654 -10.453 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -10.200 -17.782 -9.411 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -0.973 -16.317 -9.680 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -0.020 -16.233 -9.708 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -1.133 -17.028 -9.061 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -3.659 -17.624 -14.143 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -2.908 -17.780 -14.716 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -3.998 -16.772 -14.419 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 0.757 -19.809 -9.115 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 0.949 -20.740 -9.226 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 1.614 -19.384 -9.125 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -7.175 -20.235 -9.964 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -7.942 -20.767 -10.174 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -6.496 -20.545 -10.563 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -3.171 -21.285 -10.388 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.407 -21.505 -9.486 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -3.954 -21.492 -10.897 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -12.096 -7.718 -21.490 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -12.743 -8.180 -22.023 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -11.741 -8.390 -20.907 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 4.337 -13.471 -9.145 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 3.471 -13.576 -8.751 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 4.713 -12.712 -8.698 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -6.600 -10.834 -14.331 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -7.025 -10.025 -14.614 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -5.695 -10.749 -14.633 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 0.056 -8.150 -12.128 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 0.733 -8.782 -12.368 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 0.378 -7.748 -11.320 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -9.198 -7.578 -14.284 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -9.918 -7.138 -14.735 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.564 -7.829 -13.435 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -6.731 -7.978 -15.254 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -7.596 -7.906 -14.850 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -6.786 -7.431 -16.038 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -2.020 -8.090 -16.078 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -2.477 -7.561 -16.732 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -1.857 -7.487 -15.353 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 0.307 -9.212 -15.133 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -0.597 -9.047 -15.399 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 0.736 -8.359 -15.199 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -9.783 -8.955 -17.373 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -9.802 -9.380 -16.516 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -8.978 -9.273 -17.782 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 4.259 -10.207 -10.975 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 3.477 -10.393 -11.495 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 4.187 -9.278 -10.758 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 2.448 -14.127 -0.368 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 2.007 -14.847 0.082 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 2.435 -13.406 0.262 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -11.356 -19.341 -3.149 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -11.804 -18.495 -3.167 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -11.917 -19.921 -3.664 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -10.646 -17.179 -1.023 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -10.432 -17.949 -0.496 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -9.908 -17.090 -1.626 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -0.441 -9.022 -0.156 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 0.179 -9.699 -0.429 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -0.649 -9.240 0.752 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 5.794 -23.032 2.597 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 5.843 -22.422 3.333 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 6.220 -22.571 1.874 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -6.573 -22.138 -0.664 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -6.530 -21.278 -1.082 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -7.031 -22.690 -1.297 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 1.149 -22.007 -2.263 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 1.795 -22.336 -1.638 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 1.659 -21.489 -2.886 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 2.960 -12.287 1.980 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 2.018 -12.229 2.141 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 3.236 -11.381 1.843 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -3.737 -25.914 0.863 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -3.854 -26.863 0.809 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -4.592 -25.582 1.136 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 1.212 -10.506 -1.395 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 1.637 -11.213 -1.880 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 1.529 -9.705 -1.812 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 2.371 -12.605 -2.886 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 2.114 -13.295 -3.498 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 2.442 -13.048 -2.041 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -1.416 -18.619 -7.598 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -0.715 -18.597 -6.947 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -1.114 -19.247 -8.254 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 1.936 -16.867 -3.685 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 1.204 -16.639 -3.112 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 2.383 -17.581 -3.230 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 0.257 -11.965 2.565 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 0.016 -11.303 3.213 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 0.059 -12.799 2.990 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 0.807 -17.705 -6.000 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 1.386 -17.555 -5.253 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 1.221 -17.234 -6.723 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -11.585 -12.024 1.486 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -10.639 -12.168 1.467 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -11.698 -11.240 2.023 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 6.612 -11.358 7.168 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 6.563 -12.313 7.131 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 5.786 -11.090 7.570 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 1.107 -8.858 -7.147 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 1.482 -9.602 -7.618 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 1.111 -9.128 -6.229 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 0.776 -8.932 -4.398 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -0.159 -8.832 -4.219 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 1.056 -9.641 -3.820 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 2.284 -16.672 -8.370 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 2.326 -16.895 -9.300 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 3.133 -16.274 -8.180 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -2.143 -22.796 -7.700 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -2.397 -22.777 -6.777 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -2.400 -23.668 -8.001 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -5.261 -22.351 -8.599 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -5.692 -22.796 -7.869 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -5.979 -21.979 -9.111 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -12.019 -22.609 -1.547 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -11.388 -22.638 -0.827 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -11.569 -23.034 -2.277 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -10.744 -21.863 -6.123 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -10.270 -21.272 -6.708 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -11.462 -21.332 -5.776 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -8.970 -20.768 -2.439 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -9.859 -20.668 -2.779 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -8.674 -21.610 -2.785 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -6.643 -19.573 -7.216 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -7.185 -19.953 -7.907 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -5.809 -19.379 -7.645 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 3.894 -7.490 8.275 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 4.094 -7.066 7.440 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 4.550 -7.147 8.882 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -7.476 -23.473 -2.961 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -7.793 -24.375 -2.996 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -6.695 -23.471 -3.513 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 0.590 -22.194 -7.081 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -0.348 -22.082 -7.232 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 0.887 -21.337 -6.775 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 1.308 -20.327 -5.420 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 2.200 -20.464 -5.101 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 1.365 -19.536 -5.957 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 6.193 -20.117 -5.726 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 5.639 -20.513 -6.398 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 6.294 -19.207 -6.003 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -10.053 -17.333 -7.519 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -9.437 -16.706 -7.140 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -10.915 -17.017 -7.248 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -3.866 -10.383 3.785 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -3.503 -9.528 3.552 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -3.334 -10.675 4.526 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 1.881 -13.355 -7.440 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 2.234 -13.735 -6.636 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 0.932 -13.448 -7.354 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 2.337 -9.732 5.955 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 1.735 -10.287 5.460 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 2.618 -9.065 5.329 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 2.747 -14.682 -5.214 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 2.470 -15.410 -4.658 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 3.674 -14.563 -5.008 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -9.890 -10.694 3.797 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -9.673 -11.626 3.766 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -9.643 -10.420 4.681 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -0.022 -23.106 -4.651 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 0.198 -22.634 -5.454 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 0.536 -22.711 -3.980 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -1.938 -24.297 -2.878 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -2.285 -23.679 -2.233 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -1.280 -23.796 -3.359 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -6.281 -23.234 -6.190 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -6.364 -22.345 -5.844 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -5.391 -23.499 -5.959 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -9.706 -20.142 -8.014 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -9.751 -19.203 -7.835 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -10.594 -20.378 -8.284 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 3.607 -9.478 1.922 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 3.451 -8.800 1.265 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 4.539 -9.406 2.125 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -10.679 -8.807 8.150 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -10.139 -9.024 8.909 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -11.160 -9.613 7.960 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 2.614 -10.563 -8.621 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 2.897 -11.357 -8.168 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 3.354 -10.330 -9.182 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -4.211 -18.438 -8.195 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -4.391 -18.592 -9.123 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -3.260 -18.330 -8.151 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -12.096 -7.718 -2.634 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -12.743 -8.180 -3.167 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -11.741 -8.390 -2.051 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -11.226 -9.637 -0.829 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -11.560 -10.518 -0.657 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -11.004 -9.292 0.035 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 5.886 -9.261 5.073 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 5.399 -9.996 4.702 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.435 -9.654 5.751 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 5.638 -15.214 -4.775 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 6.488 -14.793 -4.647 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 5.643 -15.954 -4.167 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 6.032 -17.161 -2.951 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 5.306 -17.640 -2.553 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 6.613 -16.955 -2.219 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 5.791 -14.376 1.997 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 6.625 -14.754 1.716 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 5.903 -13.433 1.878 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 4.278 -11.498 4.304 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 3.630 -11.173 4.929 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 3.760 -11.938 3.629 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 3.529 -21.057 -3.926 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 3.809 -21.964 -3.801 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 4.288 -20.623 -4.315 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 4.143 -23.794 -3.877 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 4.325 -24.243 -3.052 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 3.543 -24.379 -4.341 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -11.710 -23.722 -4.222 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -12.635 -23.513 -4.352 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -11.256 -23.238 -4.912 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -6.600 -10.834 4.525 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -7.025 -10.025 4.242 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -5.695 -10.749 4.223 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -2.289 -9.435 7.484 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -2.104 -9.769 8.362 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -1.442 -9.126 7.162 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 0.056 -8.150 6.728 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 0.733 -8.782 6.488 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 0.378 -7.748 7.536 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -9.198 -7.578 4.572 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -9.918 -7.138 4.121 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -9.564 -7.829 5.421 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -6.731 -7.978 3.602 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -7.596 -7.906 4.006 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -6.786 -7.431 2.818 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -2.020 -8.090 2.778 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -2.477 -7.561 2.124 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -1.857 -7.487 3.503 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 0.307 -9.212 3.723 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -0.597 -9.047 3.457 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 0.736 -8.359 3.657 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 2.912 -7.642 4.018 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 2.730 -6.726 3.807 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 3.088 -8.052 3.171 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -9.783 -8.955 1.483 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -9.802 -9.380 2.340 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -8.978 -9.273 1.074 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -7.642 -10.245 0.138 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -7.861 -11.161 0.307 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -6.818 -10.105 0.604 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -5.105 -9.775 0.986 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -4.892 -10.663 0.699 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -5.040 -9.809 1.941 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -1.596 -24.111 0.131 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -2.271 -24.740 0.386 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -1.032 -24.595 -0.472 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 3.546 -26.004 0.243 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 4.150 -25.456 -0.258 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 2.677 -25.684 0.003 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 5.273 -24.865 -1.423 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 5.885 -25.379 -1.950 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 5.656 -23.987 -1.400 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -9.270 -25.477 -2.047 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -10.047 -25.711 -2.555 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -8.739 -26.274 -2.039 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -4.690 -25.550 -2.234 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -3.816 -25.162 -2.264 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -4.826 -25.765 -1.311 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 0.867 -25.520 -0.585 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 0.943 -25.425 -1.534 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 0.591 -26.428 -0.456 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -8.572 -23.763 -7.801 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -8.081 -24.393 -8.329 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -7.949 -23.467 -7.138 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -3.546 -23.470 -5.344 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -3.368 -24.116 -4.661 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -3.600 -22.636 -4.877 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 4.259 -10.207 7.881 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 3.477 -10.393 7.361 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 4.187 -9.278 8.098 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -6.786 -13.580 23.341 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -6.792 -12.701 22.963 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -7.640 -13.663 23.766 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -5.172 -13.069 25.404 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -5.484 -12.287 25.860 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -5.822 -13.222 24.718 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -6.933 -10.997 26.168 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -6.925 -11.133 25.220 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -7.849 -11.115 26.420 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -11.585 -12.024 20.342 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -10.639 -12.168 20.323 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -11.698 -11.240 20.879 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 6.612 -11.358 26.024 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 6.563 -12.313 25.987 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 5.786 -11.090 26.426 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -1.995 -8.012 14.706 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -2.070 -8.133 13.760 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -1.962 -7.062 14.825 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -9.087 -13.481 24.501 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -8.870 -13.842 25.361 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -9.942 -13.855 24.291 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -8.508 -15.016 26.739 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -7.775 -14.762 27.300 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -9.288 -14.812 27.254 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -3.866 -10.383 22.641 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -3.503 -9.528 22.408 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -3.334 -10.675 23.382 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 6.385 -8.875 11.617 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 7.128 -8.289 11.477 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 5.690 -8.307 11.950 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -9.890 -10.694 22.653 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -9.673 -11.626 22.622 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -9.643 -10.420 23.537 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -5.015 -9.932 13.050 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -4.854 -9.132 12.549 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -5.212 -9.625 13.935 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -6.082 -9.888 28.626 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -5.314 -10.347 28.967 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -6.103 -10.114 27.696 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -4.313 -7.747 11.662 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -3.380 -7.589 11.806 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -4.577 -7.072 11.037 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -12.096 -7.718 16.222 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -12.743 -8.180 15.689 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -11.741 -8.390 16.805 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 4.337 -13.471 28.567 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 3.471 -13.576 28.961 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 4.713 -12.712 29.014 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 6.172 -18.767 26.791 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 5.309 -19.146 26.626 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 6.776 -19.506 26.717 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -9.554 -11.809 27.122 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -10.375 -11.634 26.662 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -9.806 -11.882 28.043 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -6.600 -10.834 23.381 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -7.025 -10.025 23.098 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -5.695 -10.749 23.079 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -9.198 -7.578 23.428 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -9.918 -7.138 22.977 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -9.564 -7.829 24.277 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -6.731 -7.978 22.458 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -7.596 -7.906 22.862 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -6.786 -7.431 21.674 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -2.020 -8.090 21.634 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -2.477 -7.561 20.980 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -1.857 -7.487 22.359 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -9.783 -8.955 20.339 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -9.802 -9.380 21.196 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -8.978 -9.273 19.930 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -1.668 -8.521 11.907 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -0.802 -8.155 11.729 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -1.915 -8.961 11.094 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -8.714 -8.811 10.535 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -8.982 -8.524 11.408 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -7.943 -9.357 10.687 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -0.191 -16.321 35.623 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -0.102 -15.377 35.491 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -0.830 -16.596 34.965 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -1.258 -17.066 39.042 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -1.296 -17.712 39.747 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -1.581 -17.532 38.271 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -10.646 -17.179 36.689 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -10.432 -17.949 37.216 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -9.908 -17.090 36.086 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 0.272 -20.239 39.776 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 0.415 -21.186 39.796 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 0.166 -20.032 38.847 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -6.573 -22.138 37.048 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -6.530 -21.278 36.630 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -7.031 -22.690 36.415 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -9.953 -19.741 37.810 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -9.299 -20.291 38.242 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -9.929 -20.015 36.894 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -4.797 -18.191 37.026 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -4.181 -18.717 37.535 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -5.383 -18.831 36.622 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -7.763 -23.220 41.122 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -7.982 -22.690 40.356 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -8.431 -22.993 41.770 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.394 -13.720 34.666 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -0.690 -14.042 33.815 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -0.718 -12.820 34.708 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 2.913 -22.716 37.430 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 2.698 -23.482 37.962 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 3.569 -22.244 37.943 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.169 -21.328 39.075 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -7.556 -20.695 39.448 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -7.657 -21.800 38.418 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -10.665 -13.909 32.979 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -10.937 -13.680 32.090 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -10.620 -13.071 33.439 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -3.737 -25.914 38.575 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -3.854 -26.863 38.521 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -4.592 -25.582 38.848 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 2.371 -12.605 34.826 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 2.114 -13.295 34.214 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 2.442 -13.048 35.671 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 1.936 -16.867 34.027 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 1.204 -16.639 34.600 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 2.383 -17.581 34.482 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -6.419 -16.237 35.910 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.749 -16.607 35.091 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -5.831 -16.907 36.256 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -6.052 -17.468 39.543 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -5.487 -17.347 38.780 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -5.733 -16.831 40.182 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 5.695 -11.589 29.902 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 5.768 -10.650 30.072 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 6.600 -11.894 29.845 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 1.107 -8.858 30.565 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 1.482 -9.602 30.094 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 1.111 -9.128 31.483 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -6.468 -25.011 39.353 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -7.329 -25.098 38.945 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -6.490 -24.155 39.780 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -6.377 -20.045 40.448 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -7.019 -20.086 41.157 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -6.340 -19.119 40.210 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -6.380 -19.824 35.360 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -7.273 -20.165 35.301 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -5.929 -20.201 34.604 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -8.627 -19.725 42.315 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -8.665 -19.325 43.183 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -9.118 -20.542 42.405 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -0.576 -18.324 41.662 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -0.252 -18.955 41.019 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -1.016 -18.859 42.323 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -8.970 -20.768 35.273 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -9.859 -20.668 34.933 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -8.674 -21.610 34.927 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 0.607 -23.162 39.710 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -0.070 -23.031 40.374 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 0.121 -23.317 38.900 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -2.478 -19.609 38.333 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -1.914 -20.156 37.786 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -2.626 -20.131 39.122 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -3.852 -21.221 40.747 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -4.687 -20.767 40.857 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -3.328 -20.945 41.499 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -3.308 -15.008 32.432 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -4.052 -15.515 32.109 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -3.442 -14.959 33.378 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -8.183 -15.713 38.201 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -7.438 -15.715 37.600 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -8.105 -16.537 38.683 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -1.182 -13.549 31.457 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -1.477 -12.723 31.839 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -1.885 -14.169 31.653 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 6.193 -20.117 31.986 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 5.639 -20.513 31.314 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 6.294 -19.207 31.709 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 4.489 -11.331 32.451 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 4.116 -12.157 32.761 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 4.766 -11.514 31.554 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 1.649 -16.523 39.473 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 0.721 -16.755 39.446 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 2.100 -17.300 39.143 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -4.381 -14.532 35.182 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -4.622 -13.607 35.224 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -5.121 -14.991 35.578 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 6.385 -8.875 30.473 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 7.128 -8.289 30.333 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 5.690 -8.307 30.806 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -9.541 -22.499 43.074 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -10.434 -22.160 43.007 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -9.640 -23.354 43.492 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 2.747 -14.682 32.498 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 2.470 -15.410 33.054 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 3.674 -14.563 32.704 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -4.028 -12.243 28.719 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -3.789 -12.991 28.171 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -4.297 -12.631 29.551 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -5.091 -12.673 31.175 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -4.944 -13.193 31.965 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -5.094 -11.766 31.481 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -0.806 -22.758 41.964 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -0.108 -22.684 42.614 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -1.187 -23.622 42.119 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -2.353 -10.975 31.924 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -3.170 -10.478 31.977 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -1.824 -10.500 31.284 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 2.520 -18.734 38.012 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 1.723 -19.149 37.683 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 2.965 -19.425 38.503 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -8.022 -12.806 30.582 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -7.430 -12.107 30.858 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -7.563 -13.239 29.863 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -1.990 -10.380 28.857 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -2.634 -11.011 29.179 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -1.228 -10.911 28.625 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 2.614 -10.563 29.091 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 2.897 -11.357 29.544 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 3.354 -10.330 28.530 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -6.431 -14.653 28.948 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -6.367 -15.447 29.479 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -5.778 -14.772 28.259 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -5.282 -16.681 31.254 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -5.741 -17.165 31.940 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -5.027 -17.349 30.618 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -5.241 -23.063 42.185 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -4.705 -22.612 41.533 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -6.093 -23.171 41.763 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -4.435 -25.607 42.617 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -4.533 -24.660 42.511 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -5.178 -25.979 42.141 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -4.313 -7.747 30.518 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -3.380 -7.589 30.662 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -4.577 -7.072 29.893 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -10.745 -13.111 30.001 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -9.831 -13.032 30.274 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -10.738 -13.798 29.334 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 5.638 -15.214 32.937 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 6.488 -14.793 33.065 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 5.643 -15.954 33.545 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 6.032 -17.161 34.761 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 5.306 -17.640 35.159 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 6.613 -16.955 35.493 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 6.300 -17.260 31.152 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 5.779 -16.903 30.433 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 6.267 -16.585 31.830 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 3.819 -18.640 35.324 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 3.669 -19.585 35.304 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.465 -18.359 36.168 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 3.529 -21.057 33.786 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 3.809 -21.964 33.911 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 4.288 -20.623 33.397 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -11.548 -21.291 45.475 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -10.629 -21.413 45.711 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -11.998 -22.041 45.864 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -12.023 -19.980 39.435 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -11.531 -20.201 38.645 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -11.661 -19.139 39.716 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -1.596 -24.111 37.843 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -2.271 -24.740 38.098 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -1.032 -24.595 37.240 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 3.546 -26.004 37.955 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 4.150 -25.456 37.454 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 2.677 -25.684 37.715 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 5.273 -24.865 36.289 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 5.885 -25.379 35.762 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 5.656 -23.987 36.312 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 0.867 -25.520 37.127 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 0.943 -25.425 36.178 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 0.591 -26.428 37.256 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -1.668 -8.521 30.763 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -0.802 -8.155 30.585 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -1.915 -8.961 29.950 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -9.312 -24.963 45.182 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -9.678 -25.728 45.625 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -8.399 -24.934 45.469 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -1.258 1.790 -17.526 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -1.296 1.144 -16.821 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -1.581 1.324 -18.297 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -7.966 5.855 -17.398 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -8.336 5.053 -17.767 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -7.025 5.686 -17.351 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -11.356 -0.485 -22.005 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -11.804 0.361 -22.023 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -11.917 -1.065 -22.520 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -10.646 1.677 -19.879 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -10.432 0.907 -19.352 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -9.908 1.766 -20.482 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -2.869 4.223 -17.120 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -2.565 3.537 -17.714 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -2.147 4.341 -16.502 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -6.573 -3.282 -19.520 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -6.530 -2.422 -19.938 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -7.031 -3.834 -20.153 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -4.797 0.665 -19.542 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -4.181 0.139 -19.033 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -5.383 0.025 -19.946 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 1.833 0.163 -13.473 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 1.913 0.926 -12.901 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 1.232 0.442 -14.164 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -6.419 2.619 -20.658 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -6.749 2.249 -21.477 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -5.831 1.949 -20.312 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -5.052 6.047 -17.977 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -5.147 5.469 -18.734 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -4.323 5.676 -17.481 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -6.052 1.388 -17.025 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -5.487 1.509 -17.788 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -5.733 2.025 -16.386 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -5.172 5.787 -12.308 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -5.484 6.569 -11.852 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.822 5.634 -12.994 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -11.585 6.832 -17.370 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -10.639 6.688 -17.389 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -11.698 7.616 -16.833 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -2.409 7.072 -12.812 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -2.322 7.898 -12.337 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -3.273 6.742 -12.563 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -6.468 -6.155 -17.215 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -7.329 -6.242 -17.623 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -6.490 -5.299 -16.788 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -1.805 -6.433 -13.841 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -1.385 -6.848 -13.088 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -2.738 -6.611 -13.724 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 1.521 -2.677 -12.987 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 1.007 -2.803 -12.190 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 1.366 -1.765 -13.232 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -6.380 -0.968 -21.208 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -7.273 -1.309 -21.267 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.929 -1.345 -21.964 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -12.019 -3.753 -20.403 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -11.388 -3.782 -19.683 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -11.569 -4.178 -21.133 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -0.576 0.532 -14.906 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -0.252 -0.099 -15.549 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -1.016 -0.003 -14.245 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -3.798 -3.541 -20.122 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -4.709 -3.484 -19.833 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -3.293 -3.601 -19.311 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -8.970 -1.912 -21.295 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -9.859 -1.812 -21.635 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -8.674 -2.754 -21.641 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -2.478 -0.753 -18.235 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -1.914 -1.300 -18.782 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -2.626 -1.275 -17.446 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -7.476 -4.617 -21.817 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -7.793 -5.519 -21.852 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -6.695 -4.615 -22.369 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -3.852 -2.365 -15.821 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -4.687 -1.911 -15.711 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -3.328 -2.089 -15.069 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -1.788 4.032 -12.899 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -2.134 3.651 -12.093 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -1.988 4.966 -12.828 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -8.183 3.143 -18.367 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -7.438 3.141 -18.968 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -8.105 2.319 -17.885 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -3.866 8.473 -15.071 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -3.503 9.328 -15.304 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -3.334 8.181 -14.330 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -0.322 4.572 -15.370 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -0.748 4.345 -14.544 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 0.259 3.834 -15.553 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -2.286 -1.536 -13.487 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -2.167 -0.962 -12.730 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -1.631 -2.224 -13.372 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -8.898 -6.504 -18.197 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -9.127 -6.445 -19.124 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -9.341 -7.296 -17.890 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -10.679 10.049 -10.706 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -10.139 9.832 -9.947 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -11.160 9.243 -10.896 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -6.082 8.968 -9.086 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -5.314 8.509 -8.745 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -6.103 8.742 -10.016 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 1.618 3.745 -12.936 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 2.363 4.333 -13.056 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 0.861 4.327 -12.873 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -5.241 -4.207 -14.383 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -4.705 -3.756 -15.035 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -6.093 -4.315 -14.805 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 0.757 -0.953 -9.115 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 0.949 -1.884 -9.226 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 1.614 -0.528 -9.125 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 2.073 1.836 -11.037 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 1.792 2.545 -11.615 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 3.016 1.763 -11.188 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -4.435 -6.751 -13.951 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -4.533 -5.804 -14.057 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -5.178 -7.123 -14.427 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -0.455 -3.302 -11.312 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -1.403 -3.270 -11.180 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -0.143 -3.927 -10.658 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 1.179 -4.668 -9.307 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 1.082 -5.620 -9.313 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 0.857 -4.399 -8.446 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -3.860 -5.774 -9.226 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -3.991 -6.250 -10.047 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -4.459 -5.030 -9.282 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -10.327 -4.123 -18.202 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -9.882 -4.915 -17.900 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -9.861 -3.407 -17.771 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -11.710 -4.866 -23.078 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -12.635 -4.657 -23.208 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -11.256 -4.382 -23.768 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -11.746 -6.128 -14.734 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -12.411 -6.374 -14.091 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -12.189 -5.506 -15.311 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -6.600 8.022 -14.331 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -7.025 8.831 -14.614 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -5.695 8.107 -14.633 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -9.198 11.278 -14.284 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -9.918 11.718 -14.735 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -9.564 11.027 -13.435 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.731 10.878 -15.254 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -7.596 10.950 -14.850 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -6.786 11.425 -16.038 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -9.783 9.901 -17.373 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -9.802 9.476 -16.516 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -8.978 9.583 -17.782 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -7.642 8.611 -18.718 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -7.861 7.695 -18.549 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -6.818 8.751 -18.252 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -5.105 9.081 -17.870 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -4.892 8.193 -18.157 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -5.040 9.047 -16.915 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -9.270 -6.621 -20.903 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -10.047 -6.855 -21.411 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -8.739 -7.418 -20.895 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -9.312 -6.107 -11.386 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -9.678 -6.872 -10.943 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -8.399 -6.078 -11.099 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 1.083 -7.424 -9.668 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 1.159 -7.850 -8.814 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 1.976 -7.410 -10.010 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -0.191 2.535 -2.089 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -0.102 3.479 -2.221 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -0.830 2.260 -2.747 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -1.258 1.790 1.330 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -1.296 1.144 2.035 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -1.581 1.324 0.559 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -8.890 1.405 2.923 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -8.848 0.779 3.647 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -8.187 2.028 3.105 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -10.646 1.677 -1.023 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -10.432 0.907 -0.496 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -9.908 1.766 -1.626 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 1.149 -3.151 -2.263 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 1.795 -3.480 -1.638 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 1.659 -2.633 -2.886 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -4.797 0.665 -0.686 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -4.181 0.139 -0.177 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.383 0.025 -1.090 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -7.763 -4.364 3.410 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -7.982 -3.834 2.644 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -8.431 -4.137 4.058 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -0.394 5.136 -3.046 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -0.690 4.814 -3.897 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -0.718 6.036 -3.004 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -8.169 -2.472 1.363 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -7.556 -1.839 1.736 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -7.657 -2.944 0.706 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -3.737 -7.058 0.863 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -3.854 -8.007 0.809 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -4.592 -6.726 1.136 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 1.936 1.989 -3.685 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 1.204 2.217 -3.112 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 2.383 1.275 -3.230 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -6.419 2.619 -1.802 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -6.749 2.249 -2.621 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -5.831 1.949 -1.456 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -6.052 1.388 1.831 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -5.487 1.509 1.068 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -5.733 2.025 2.470 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 0.807 1.151 -6.000 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 1.386 1.301 -5.253 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 1.221 1.622 -6.723 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -1.467 7.888 -2.565 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -0.993 8.183 -1.787 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -2.030 8.626 -2.798 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -6.468 -6.155 1.641 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -7.329 -6.242 1.233 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -6.490 -5.299 2.068 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 2.284 2.184 -8.370 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 2.326 1.961 -9.300 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 3.133 2.582 -8.180 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -6.377 -1.189 2.736 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -7.019 -1.230 3.445 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -6.340 -0.263 2.498 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 0.160 -1.106 -0.721 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -0.035 -0.501 -1.436 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 0.342 -1.940 -1.156 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -8.627 -0.869 4.603 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -8.665 -0.469 5.471 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -9.118 -1.686 4.693 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -2.478 -0.753 0.621 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -1.914 -1.300 0.074 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -2.626 -1.275 1.410 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -3.852 -2.365 3.035 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -4.687 -1.911 3.145 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -3.328 -2.089 3.787 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 0.590 -3.338 -7.081 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -0.348 -3.226 -7.232 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 0.887 -2.481 -6.775 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 1.308 -1.471 -5.420 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 2.200 -1.608 -5.101 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 1.365 -0.680 -5.957 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -8.183 3.143 0.489 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -7.438 3.141 -0.112 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -8.105 2.319 0.971 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -1.182 5.307 -6.255 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -1.477 6.133 -5.873 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -1.885 4.687 -6.059 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -5.808 6.661 -2.106 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -5.281 7.434 -2.307 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -6.688 6.886 -2.408 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -4.381 4.324 -2.530 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -4.622 5.249 -2.488 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -5.121 3.865 -2.134 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 1.881 5.501 -7.440 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 2.234 5.121 -6.636 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 0.932 5.408 -7.354 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -9.541 -3.643 5.362 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -10.434 -3.304 5.295 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -9.640 -4.498 5.780 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 2.747 4.174 -5.214 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 2.470 3.446 -4.658 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 3.674 4.293 -5.008 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -4.028 6.613 -8.993 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -3.789 5.865 -9.541 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -4.297 6.225 -8.161 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -5.091 6.183 -6.537 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -4.944 5.663 -5.747 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -5.094 7.090 -6.231 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -0.022 -4.250 -4.651 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 0.198 -3.778 -5.454 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 0.536 -3.855 -3.980 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -2.353 7.881 -5.788 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -3.170 8.378 -5.735 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -1.824 8.356 -6.428 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -5.015 8.924 -5.806 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -4.854 9.724 -6.307 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -5.212 9.231 -4.921 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -8.022 6.050 -7.130 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -7.430 6.749 -6.854 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -7.563 5.617 -7.849 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -8.898 -6.504 0.659 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -9.127 -6.445 -0.268 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -9.341 -7.296 0.966 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -9.968 7.436 -3.180 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -10.800 7.909 -3.153 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -9.422 7.946 -3.779 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -1.990 8.476 -8.855 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -2.634 7.845 -8.533 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -1.228 7.945 -9.087 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -1.079 5.250 -9.028 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -1.347 5.430 -8.127 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -1.285 4.324 -9.159 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 1.179 -4.668 9.549 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 1.082 -5.620 9.543 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 0.857 -4.399 10.410 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -4.213 -7.457 7.576 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -3.501 -8.097 7.562 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -4.314 -7.190 6.662 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -11.146 2.294 1.622 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -10.962 2.212 0.687 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -10.297 2.170 2.046 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 3.529 -2.201 -3.926 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 3.809 -3.108 -3.801 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 4.288 -1.767 -4.315 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 6.453 -6.903 9.640 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.803 -7.557 9.034 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 6.600 -6.066 9.200 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -12.023 -1.124 1.723 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -11.531 -1.345 0.933 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -11.661 -0.283 2.004 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -11.746 -6.128 4.122 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -12.411 -6.374 4.765 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -12.189 -5.506 3.545 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 4.974 -6.704 5.808 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 4.161 -6.379 5.420 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 5.207 -7.464 5.275 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -1.596 -5.255 0.131 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -2.271 -5.884 0.386 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -1.032 -5.739 -0.472 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 0.867 -6.664 -0.585 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 0.943 -6.569 -1.534 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 0.591 -7.572 -0.456 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 2.220 -6.638 -4.892 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 1.517 -6.024 -5.102 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 1.775 -7.476 -4.761 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -10.532 9.125 -5.346 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -11.217 9.087 -6.014 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -10.529 10.038 -5.058 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -9.312 -6.107 7.470 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -9.678 -6.872 7.913 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -8.399 -6.078 7.757 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -7.339 -6.756 9.006 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -6.440 -7.030 8.821 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -7.725 -7.499 9.470 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -8.714 10.045 -8.321 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -8.982 10.332 -7.448 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -7.943 9.499 -8.169 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 1.083 -7.424 9.188 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 1.159 -7.850 10.042 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 1.976 -7.410 8.846 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 5.794 -4.176 21.453 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 5.843 -3.566 22.189 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 6.220 -3.715 20.730 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 1.149 -3.151 16.593 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 1.795 -3.480 17.218 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 1.659 -2.633 15.970 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 6.186 -2.698 23.689 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 5.497 -2.040 23.594 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 6.201 -2.895 24.626 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 2.913 -3.860 18.574 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 2.698 -4.626 19.106 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 3.569 -3.388 19.087 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -3.737 -7.058 19.719 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -3.854 -8.007 19.665 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -4.592 -6.726 19.992 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 4.505 -7.099 12.669 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 3.606 -6.960 12.964 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 4.757 -6.268 12.267 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -6.468 -6.155 20.497 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -7.329 -6.242 20.089 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -6.490 -5.299 20.924 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -1.805 -6.433 23.871 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -1.385 -6.848 24.624 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -2.738 -6.611 23.988 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 1.521 -2.677 24.725 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 1.007 -2.803 25.522 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 1.366 -1.765 24.480 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -12.019 -3.753 17.309 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -11.388 -3.782 18.029 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -11.569 -4.178 16.579 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 0.607 -4.306 20.854 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -0.070 -4.175 21.518 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 0.121 -4.461 20.044 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -7.476 -4.617 15.895 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -7.793 -5.519 15.860 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -6.695 -4.615 15.343 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 -0.806 -3.902 23.108 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 -0.108 -3.828 23.758 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 -1.187 -4.766 23.263 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -0.022 -4.250 14.205 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 0.198 -3.778 13.402 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 0.536 -3.855 14.876 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -1.938 -5.441 15.978 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -2.285 -4.823 16.623 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -1.280 -4.940 15.497 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 3.918 -3.629 25.060 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 3.002 -3.366 24.972 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 4.254 -3.632 24.163 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -8.898 -6.504 19.515 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -9.127 -6.445 18.588 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -9.341 -7.296 19.822 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 -4.435 -6.751 23.761 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 -4.533 -5.804 23.655 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 -5.178 -7.123 23.285 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 -0.455 -3.302 26.400 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 -1.403 -3.270 26.532 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 -0.143 -3.927 27.054 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 1.179 -4.668 28.405 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 1.082 -5.620 28.399 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 0.857 -4.399 29.266 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -4.213 -7.457 26.432 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -3.501 -8.097 26.418 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -4.314 -7.190 25.518 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 -3.860 -5.774 28.486 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 -3.991 -6.250 27.665 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 -4.459 -5.030 28.430 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 4.141 -1.620 20.366 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 5.074 -1.408 20.332 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 3.906 -1.518 21.289 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 4.170 -0.883 23.142 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 3.327 -0.615 23.508 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 4.613 -0.061 22.931 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 6.453 -6.903 28.496 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 6.803 -7.557 27.890 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 6.600 -6.066 28.056 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 4.143 -4.938 14.979 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 4.325 -5.387 15.804 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 3.543 -5.523 14.515 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -10.327 -4.123 19.510 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -9.882 -4.915 19.812 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -9.861 -3.407 19.941 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 5.973 -4.794 26.845 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 5.056 -4.523 26.809 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 6.096 -5.329 26.061 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 6.009 -4.871 11.507 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 6.422 -5.592 11.031 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 6.691 -4.201 11.565 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 -11.710 -4.866 14.634 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 -12.635 -4.657 14.504 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 -11.256 -4.382 13.944 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 -1.596 -5.255 18.987 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 -2.271 -5.884 19.242 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 -1.032 -5.739 18.384 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 3.546 -7.148 19.099 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 4.150 -6.600 18.598 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 2.677 -6.828 18.859 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 5.273 -6.009 17.433 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 5.885 -6.523 16.906 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 5.656 -5.131 17.456 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 -9.270 -6.621 16.809 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 -10.047 -6.855 16.301 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 -8.739 -7.418 16.817 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 -10.433 -6.823 12.612 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 -9.994 -6.212 12.021 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 -11.067 -6.285 13.086 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 -4.690 -6.694 16.622 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 -3.816 -6.306 16.592 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 -4.826 -6.909 17.545 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 0.867 -6.664 18.271 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 0.943 -6.569 17.322 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 0.591 -7.572 18.400 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 2.220 -6.638 13.964 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 1.517 -6.024 13.754 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 1.775 -7.476 14.095 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 -8.572 -4.907 11.055 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 -8.081 -5.537 10.527 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 -7.949 -4.611 11.718 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 4.505 -7.099 31.525 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 3.606 -6.960 31.820 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 4.757 -6.268 31.123 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 -2.143 -3.940 30.012 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 -2.397 -3.921 30.935 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 -2.400 -4.812 29.711 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 0.590 -3.338 30.631 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 -0.348 -3.226 30.480 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 0.887 -2.481 30.937 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 3.897 -3.756 28.820 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 4.507 -4.128 29.457 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 3.060 -4.178 29.016 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 6.009 -4.871 30.363 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 6.422 -5.592 29.887 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 6.691 -4.201 30.421 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 -11.746 12.728 -14.734 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 -12.411 12.482 -14.091 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 -12.189 13.350 -15.311 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 -9.312 12.749 -11.386 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 -9.678 11.984 -10.943 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 -8.399 12.778 -11.099 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 -7.339 12.100 -9.850 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 -6.440 11.826 -10.035 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 -7.725 11.357 -9.386 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 11.923 -29.853 7.312 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 11.931 -29.989 6.364 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.007 -29.971 7.564 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 7.520 -33.660 4.602 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 7.019 -33.688 3.787 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 7.526 -34.566 4.912 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 7.271 -30.880 1.486 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.217 -31.024 1.467 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.158 -30.096 2.023 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 9.769 -32.337 5.645 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 9.986 -32.698 6.505 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 8.914 -32.711 5.435 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.966 -29.550 3.797 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 9.183 -30.482 3.766 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.213 -29.276 4.681 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.774 -28.744 9.770 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.542 -29.203 10.111 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 12.753 -28.970 8.840 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 8.084 -33.853 9.104 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.228 -34.755 8.818 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 7.311 -33.567 8.616 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 7.630 -28.493 -0.829 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 7.296 -29.374 -0.657 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 7.852 -28.148 0.035 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 9.302 -30.665 8.266 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 8.481 -30.490 7.806 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 9.050 -30.738 9.187 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 12.256 -29.690 4.525 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 11.831 -28.881 4.242 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.161 -29.605 4.223 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 12.125 -26.834 3.602 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 11.260 -26.762 4.006 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 12.070 -26.287 2.818 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 9.073 -27.811 1.483 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 9.054 -28.236 2.340 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 9.878 -28.129 1.074 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 11.214 -29.101 0.138 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 10.995 -30.017 0.307 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.038 -28.961 0.604 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 9.966 -36.307 21.779 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.008 -36.933 22.503 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 10.669 -35.684 21.961 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 10.890 -31.857 20.314 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 10.520 -32.659 19.945 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 11.831 -32.026 20.361 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 12.070 -32.436 23.341 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.064 -31.557 22.963 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.216 -32.519 23.766 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 8.191 -32.765 14.123 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 7.919 -32.536 13.234 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 8.236 -31.927 14.583 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 13.804 -31.665 19.735 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 13.709 -32.243 18.978 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 14.533 -32.036 20.231 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 13.684 -31.925 25.404 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 13.372 -31.143 25.860 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 13.034 -32.078 24.718 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 10.604 -35.727 24.633 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 10.674 -35.076 25.331 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 9.713 -35.624 24.298 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.923 -29.853 26.168 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.931 -29.989 25.220 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.007 -29.971 26.420 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 7.520 -33.660 23.458 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 7.019 -33.688 22.643 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 7.526 -34.566 23.768 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 10.515 -28.079 16.487 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 10.667 -28.427 17.366 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.664 -28.435 16.232 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 10.348 -33.872 26.739 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 11.081 -33.618 27.300 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 9.568 -33.668 27.254 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 10.673 -34.569 19.345 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 11.418 -34.571 18.744 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 10.751 -35.393 19.827 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 7.681 -36.108 24.660 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.904 -36.526 25.492 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 7.079 -36.721 24.238 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 13.048 -31.051 16.750 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 13.575 -30.278 16.549 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.168 -30.826 16.448 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 14.990 -29.239 22.641 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 15.353 -28.384 22.408 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 15.522 -29.531 23.382 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 13.159 -28.366 15.871 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 12.209 -28.261 15.923 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 13.510 -27.546 16.216 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.218 -34.276 12.829 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 9.532 -33.924 13.396 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 10.741 -33.513 12.583 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 13.841 -28.788 13.050 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 14.002 -27.988 12.549 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 13.644 -28.481 13.935 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 10.834 -31.662 11.726 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 11.426 -30.963 12.002 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 11.293 -32.095 11.007 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 12.774 -28.744 28.626 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 13.542 -29.203 28.967 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 12.753 -28.970 27.696 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 8.084 -33.853 27.960 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 8.228 -34.755 27.674 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 7.311 -33.567 27.472 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 14.543 -26.603 11.662 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 15.476 -26.445 11.806 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 14.279 -25.928 11.037 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 8.111 -31.967 11.145 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 9.025 -31.888 11.418 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 8.118 -32.654 10.478 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 7.710 -35.418 20.478 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 7.894 -35.500 19.543 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 8.559 -35.542 20.902 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 12.256 -29.690 23.381 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.831 -28.881 23.098 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 13.161 -29.605 23.079 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 12.125 -26.834 22.458 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.260 -26.762 22.862 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 12.070 -26.287 21.674 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 11.214 -29.101 18.994 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 10.995 -30.017 19.163 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 12.038 -28.961 19.460 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 13.751 -28.631 19.842 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 13.964 -29.519 19.555 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 13.816 -28.665 20.797 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 8.191 -32.765 32.979 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 7.919 -32.536 32.090 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 8.236 -31.927 33.439 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 10.515 -28.079 35.343 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 10.667 -28.427 36.222 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 9.664 -28.435 35.088 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 13.159 -28.366 34.727 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 12.209 -28.261 34.779 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 13.510 -27.546 35.072 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 14.828 -31.099 28.719 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 15.067 -31.847 28.171 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 14.559 -31.487 29.551 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 13.765 -31.529 31.175 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.912 -32.049 31.965 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 13.762 -30.622 31.481 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 13.841 -28.788 31.906 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 14.002 -27.988 31.405 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 13.644 -28.481 32.791 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 10.834 -31.662 30.582 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 11.426 -30.963 30.858 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 11.293 -32.095 29.863 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.888 -30.276 34.532 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.056 -29.803 34.559 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 9.434 -29.766 33.933 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 12.425 -33.509 28.948 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 12.489 -34.303 29.479 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 13.078 -33.628 28.259 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 14.543 -26.603 30.518 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 15.476 -26.445 30.662 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 14.279 -25.928 29.893 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 8.111 -31.967 30.001 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.025 -31.888 30.274 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 8.118 -32.654 29.334 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 7.630 -28.493 36.883 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 7.296 -29.374 37.055 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 7.852 -28.148 37.747 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 9.966 -17.451 2.923 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 10.008 -18.077 3.647 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 10.669 -16.828 3.105 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 7.500 -19.341 -3.149 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.052 -18.495 -3.167 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 6.939 -19.921 -3.664 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 8.210 -17.179 -1.023 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.424 -17.949 -0.496 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 8.948 -17.090 -1.626 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.903 -19.741 0.098 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.557 -20.291 0.530 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.927 -20.015 -0.818 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 11.093 -23.220 3.410 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 10.874 -22.690 2.644 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.425 -22.993 4.058 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 10.687 -21.328 1.363 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 11.300 -20.695 1.736 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 11.199 -21.800 0.706 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 12.804 -17.468 1.831 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 13.369 -17.347 1.068 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 13.123 -16.831 2.470 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 10.604 -16.871 5.777 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 10.674 -16.220 6.475 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 9.713 -16.768 5.442 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.520 -14.804 4.602 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 7.019 -14.832 3.787 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 7.526 -15.710 4.912 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 7.271 -12.024 1.486 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 8.217 -12.168 1.467 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 7.158 -11.240 2.023 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 9.769 -13.481 5.645 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 9.986 -13.842 6.505 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 8.914 -13.855 5.435 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 12.388 -25.011 1.641 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 11.527 -25.098 1.233 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.366 -24.155 2.068 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 12.479 -20.045 2.736 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 11.837 -20.086 3.445 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 12.516 -19.119 2.498 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 6.837 -22.609 -1.547 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 7.468 -22.638 -0.827 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 7.287 -23.034 -2.277 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 9.886 -20.768 -2.439 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.997 -20.668 -2.779 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.182 -21.610 -2.785 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 10.348 -15.016 7.883 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.081 -14.762 8.444 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 9.568 -14.812 8.398 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 10.673 -15.713 0.489 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 11.418 -15.715 -0.112 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 10.751 -16.537 0.971 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 14.698 -17.735 8.017 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 14.402 -17.901 7.122 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 15.629 -17.955 8.007 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 9.958 -25.360 0.659 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 9.729 -25.301 -0.268 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 9.515 -26.152 0.966 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.177 -8.807 8.150 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 8.717 -9.024 8.909 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.696 -9.613 7.960 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.084 -14.997 9.104 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 8.228 -15.899 8.818 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 7.311 -14.711 8.616 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 12.863 -18.788 5.898 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.245 -18.113 6.179 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 13.207 -18.467 5.065 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 13.203 -21.433 6.981 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.353 -22.162 6.378 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 13.205 -20.656 6.422 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 13.615 -23.063 4.473 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 14.151 -22.612 3.821 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 12.763 -23.171 4.051 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 11.681 -20.235 8.892 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 10.914 -20.767 8.682 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 12.360 -20.545 8.293 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 14.421 -25.607 4.905 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 14.323 -24.660 4.799 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 13.678 -25.979 4.429 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 14.643 -26.313 7.576 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 15.355 -26.953 7.562 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 14.542 -26.046 6.662 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 14.996 -24.630 9.630 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 14.865 -25.106 8.809 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 14.397 -23.886 9.574 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 8.529 -22.979 0.654 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 8.974 -23.771 0.956 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 8.995 -22.263 1.085 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 9.302 -11.809 8.266 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 8.481 -11.634 7.806 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 9.050 -11.882 9.187 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 9.966 -17.451 21.779 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 10.008 -18.077 22.503 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 10.669 -16.828 21.961 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 8.210 -17.179 17.833 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 8.424 -17.949 18.360 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 8.948 -17.090 17.230 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 15.987 -14.633 20.592 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 16.291 -15.319 19.998 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 16.709 -14.515 21.210 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 12.283 -22.138 18.192 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 12.326 -21.278 17.774 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 11.825 -22.690 17.559 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 8.903 -19.741 18.954 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 9.557 -20.291 19.386 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 8.927 -20.015 18.038 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 14.059 -18.191 18.170 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 14.675 -18.717 18.679 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 13.473 -18.831 17.766 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 11.093 -23.220 22.266 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 10.874 -22.690 21.500 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 10.425 -22.993 22.914 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 13.662 -15.544 22.554 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 12.922 -14.946 22.657 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 14.376 -14.990 22.238 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 10.687 -21.328 20.219 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 11.300 -20.695 20.592 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 11.199 -21.800 19.562 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 12.070 -13.580 23.341 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 12.064 -12.701 22.963 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 11.216 -13.663 23.766 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 15.119 -25.914 19.719 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 15.002 -26.863 19.665 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 14.264 -25.582 19.992 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 12.437 -16.237 17.054 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.107 -16.607 16.235 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 13.025 -16.907 17.400 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 13.804 -12.809 19.735 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 13.709 -13.387 18.978 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 14.533 -13.180 20.231 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 12.804 -17.468 20.687 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 13.369 -17.347 19.924 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 13.123 -16.831 21.326 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 13.684 -13.069 25.404 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 13.372 -12.287 25.860 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 13.034 -13.222 24.718 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 10.604 -16.871 24.633 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 10.674 -16.220 25.331 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 9.713 -16.768 24.298 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 11.923 -10.997 26.168 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 11.931 -11.133 25.220 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 11.007 -11.115 26.420 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 11.427 -17.167 14.643 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 11.135 -16.399 14.152 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 10.753 -17.827 14.480 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 10.515 -9.223 16.487 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 10.667 -9.571 17.366 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 9.664 -9.579 16.232 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.769 -13.481 24.501 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.986 -13.842 25.361 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.914 -13.855 24.291 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 12.388 -25.011 20.497 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 11.527 -25.098 20.089 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 12.366 -24.155 20.924 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 12.476 -19.824 16.504 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 11.583 -20.165 16.445 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 12.927 -20.201 15.748 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 10.229 -19.725 23.459 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 10.191 -19.325 24.327 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 9.738 -20.542 23.549 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 13.595 -22.351 10.257 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 13.164 -22.796 10.987 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 12.877 -21.979 9.745 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 13.539 -20.768 14.073 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 14.471 -20.639 14.251 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 13.324 -20.098 13.424 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 12.213 -19.573 11.640 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 11.671 -19.953 10.949 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 13.047 -19.379 11.211 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 10.348 -15.016 26.739 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 11.081 -14.762 27.300 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 9.568 -14.812 27.254 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 11.380 -23.473 15.895 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 11.063 -24.375 15.860 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 12.161 -23.471 15.343 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 7.681 -17.252 24.660 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 7.904 -17.670 25.492 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 7.079 -17.865 24.238 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 13.048 -12.195 16.750 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 13.575 -11.422 16.549 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 12.168 -11.970 16.448 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 8.803 -17.333 11.337 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 9.419 -16.706 11.716 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 7.941 -17.017 11.608 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 14.475 -14.532 16.326 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 14.234 -13.607 16.368 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 13.735 -14.991 16.722 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 14.990 -10.383 22.641 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 15.353 -9.528 22.408 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 15.522 -10.675 23.382 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 13.159 -9.510 15.871 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 12.209 -9.405 15.923 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 13.510 -8.690 16.216 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 9.315 -22.499 24.218 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 8.422 -22.160 24.151 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 9.216 -23.354 24.636 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 10.218 -15.420 12.829 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 9.532 -15.068 13.396 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 10.741 -14.657 12.583 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 12.575 -23.234 12.666 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 12.492 -22.345 13.012 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 13.465 -23.499 12.897 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 10.834 -12.806 11.726 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 11.426 -12.107 12.002 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 11.293 -13.239 11.007 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.888 -11.420 15.676 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.056 -10.947 15.703 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 9.434 -10.910 15.077 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 8.177 -8.807 27.006 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 8.717 -9.024 27.765 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 7.696 -9.613 26.816 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 8.084 -14.997 27.960 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 8.228 -15.899 27.674 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 7.311 -14.711 27.472 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 12.425 -14.653 10.092 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 12.489 -15.447 10.623 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 13.078 -14.772 9.403 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 8.916 -17.797 27.380 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 9.324 -18.654 27.259 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 8.656 -17.782 28.301 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 14.645 -18.438 10.661 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 14.465 -18.592 9.733 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 15.596 -18.330 10.705 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 13.203 -21.433 25.837 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 13.353 -22.162 25.234 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 13.205 -20.656 25.278 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 13.615 -23.063 23.329 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 14.151 -22.612 22.677 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 12.763 -23.171 22.907 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 11.681 -20.235 27.748 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 10.914 -20.767 27.538 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 12.360 -20.545 27.149 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 14.421 -25.607 23.761 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 14.323 -24.660 23.655 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 13.678 -25.979 23.285 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 9.862 -22.314 27.453 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 10.073 -23.021 26.842 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 9.750 -22.752 28.297 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 14.643 -26.313 26.432 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 15.355 -26.953 26.418 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 14.542 -26.046 25.518 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 14.996 -24.630 28.486 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 14.865 -25.106 27.665 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 14.397 -23.886 28.430 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 6.760 -7.718 16.222 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 6.113 -8.180 15.689 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 7.115 -8.390 16.805 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 9.302 -11.809 27.122 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 8.481 -11.634 26.662 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 9.050 -11.882 28.043 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 12.256 -10.834 23.381 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 11.831 -10.025 23.098 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 13.161 -10.749 23.079 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 9.658 -7.578 23.428 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 8.938 -7.138 22.977 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 9.292 -7.829 24.277 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 12.125 -7.978 22.458 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 11.260 -7.906 22.862 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 12.070 -7.431 21.674 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 13.751 -9.775 19.842 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 13.964 -10.663 19.555 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 13.816 -9.809 20.797 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 9.586 -25.477 16.809 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 8.809 -25.711 16.301 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 10.117 -26.274 16.817 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 8.324 -9.731 13.510 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 7.639 -9.769 12.842 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 8.327 -8.818 13.798 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 10.284 -23.763 11.055 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 10.775 -24.393 10.527 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 10.907 -23.467 11.718 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 10.142 -8.811 10.535 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 9.874 -8.524 11.408 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 10.913 -9.357 10.687 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 7.500 -19.341 34.563 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 7.052 -18.495 34.545 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 6.939 -19.921 34.048 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 13.595 -22.351 29.113 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 13.164 -22.796 29.843 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 12.877 -21.979 28.601 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 6.837 -22.609 36.165 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 7.468 -22.638 36.885 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 7.287 -23.034 35.435 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 9.886 -20.768 35.273 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 8.997 -20.668 34.933 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 10.182 -21.610 34.927 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 12.213 -19.573 30.496 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 11.671 -19.953 29.805 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 13.047 -19.379 30.067 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 11.380 -23.473 34.751 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 11.063 -24.375 34.716 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 12.161 -23.471 34.199 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 8.803 -17.333 30.193 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 9.419 -16.706 30.572 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 7.941 -17.017 30.464 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 12.575 -23.234 31.522 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 12.492 -22.345 31.868 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 13.465 -23.499 31.753 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 9.150 -20.142 29.698 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 9.105 -19.203 29.877 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 8.262 -20.378 29.428 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 9.958 -25.360 38.371 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 9.729 -25.301 37.444 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 9.515 -26.152 38.678 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 8.111 -13.111 30.001 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 9.025 -13.032 30.274 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 8.118 -13.798 29.334 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 8.529 -22.979 38.366 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 8.974 -23.771 38.668 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 8.995 -22.263 38.797 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 9.586 -25.477 35.665 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 8.809 -25.711 35.157 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 10.117 -26.274 35.673 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 11.093 -4.364 22.266 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 10.874 -3.834 21.500 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 10.425 -4.137 22.914 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 15.119 -7.058 19.719 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 15.002 -8.007 19.665 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 14.264 -6.726 19.992 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 12.388 -6.155 20.497 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 11.527 -6.242 20.089 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 12.366 -5.299 20.924 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 9.958 -6.504 19.515 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 9.729 -6.445 18.588 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 9.515 -7.296 19.822 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 14.421 -6.751 23.761 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 14.323 -5.804 23.655 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 13.678 -7.123 23.285 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 8.529 -4.123 19.510 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 8.974 -4.915 19.812 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 8.995 -3.407 19.941 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 7.110 -6.128 22.978 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 6.445 -6.374 23.621 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 6.667 -5.506 22.401 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 9.586 -6.621 16.809 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 8.809 -6.855 16.301 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 10.117 -7.418 16.817 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 8.423 -6.823 12.612 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 8.862 -6.212 12.021 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 7.789 -6.285 13.086 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 9.544 -6.107 26.326 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 9.178 -6.872 26.769 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 10.457 -6.078 26.613 0.00 0.00 WAT1 END