REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -247.217, 59.8107, 101.175, 43.7858, 415.144, -334.183, -541.102, 8.06944, 8.263905E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.418094E-03,0.502379,1.27025,42.2102,7.89915E-03,0.127075 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 43, 7 REMARK =============================================================== REMARK DATE:03-Sep-2010 14:08:30 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.395 -7.591 -13.106 1.00 12.32 ATOM 2 CB MET 1 8.568 -5.810 -13.365 1.00 60.05 ATOM 3 HB1 MET 1 9.512 -6.327 -13.264 1.00 37.92 ATOM 4 HB2 MET 1 8.650 -4.841 -12.892 1.00 31.52 ATOM 5 CG MET 1 8.304 -5.589 -14.850 1.00 11.05 ATOM 6 HG1 MET 1 7.384 -5.033 -14.963 1.00 37.92 ATOM 7 HG2 MET 1 8.205 -6.550 -15.334 1.00 24.01 ATOM 8 SD MET 1 9.634 -4.672 -15.653 1.00 32.52 ATOM 9 CE MET 1 9.019 -4.571 -17.333 1.00 10.51 ATOM 10 HE1 MET 1 9.729 -4.035 -17.946 1.00 73.55 ATOM 11 HE2 MET 1 8.073 -4.049 -17.341 1.00 21.43 ATOM 12 HE3 MET 1 8.883 -5.567 -17.727 1.00 30.03 ATOM 13 C MET 1 7.886 -6.808 -11.169 1.00 45.10 ATOM 14 O MET 1 8.173 -5.838 -10.469 1.00 10.14 ATOM 15 N MET 1 6.162 -5.934 -12.758 1.00 23.14 ATOM 16 HT1 MET 1 5.882 -5.854 -13.760 1.00 37.92 ATOM 17 HT2 MET 1 6.215 -4.977 -12.354 1.00 37.92 ATOM 18 HT3 MET 1 5.429 -6.472 -12.251 1.00 37.92 ATOM 19 CA MET 1 7.480 -6.619 -12.641 1.00 11.00 ATOM 20 N GLY 2 7.885 -8.056 -10.700 1.00 31.32 ATOM 21 HN GLY 2 7.567 -8.783 -11.277 1.00 37.92 ATOM 22 CA GLY 2 8.345 -8.357 -9.346 1.00 70.13 ATOM 23 HA1 GLY 2 9.271 -7.827 -9.168 1.00 37.92 ATOM 24 HA2 GLY 2 8.540 -9.418 -9.279 1.00 43.44 ATOM 25 C GLY 2 7.346 -7.976 -8.255 1.00 22.34 ATOM 26 O GLY 2 6.783 -8.849 -7.589 1.00 5.43 ATOM 27 N HIS 3 7.149 -6.669 -8.050 1.00 61.14 ATOM 28 HN HIS 3 7.652 -6.024 -8.596 1.00 37.92 ATOM 29 CA HIS 3 6.211 -6.163 -7.036 1.00 32.14 ATOM 30 HA HIS 3 6.287 -5.083 -7.032 1.00 13.41 ATOM 31 CB HIS 3 4.767 -6.559 -7.419 1.00 15.41 ATOM 32 HB1 HIS 3 4.659 -7.630 -7.320 1.00 37.92 ATOM 33 HB2 HIS 3 4.589 -6.282 -8.447 1.00 64.32 ATOM 34 CG HIS 3 3.698 -5.909 -6.586 1.00 31.12 ATOM 35 ND1 HIS 3 2.472 -6.492 -6.345 1.00 63.12 ATOM 36 HD1 HIS 3 2.169 -7.360 -6.691 1.00 74.11 ATOM 37 CD2 HIS 3 3.668 -4.711 -5.952 1.00 31.10 ATOM 38 HD2 HIS 3 4.465 -3.980 -5.925 1.00 55.41 ATOM 39 CE1 HIS 3 1.741 -5.687 -5.603 1.00 55.44 ATOM 40 HE1 HIS 3 0.738 -5.887 -5.255 1.00 22.41 ATOM 41 NE2 HIS 3 2.441 -4.603 -5.350 1.00 20.35 ATOM 42 HE2 HIS 3 2.192 -3.919 -4.690 1.00 37.92 ATOM 43 C HIS 3 6.578 -6.687 -5.627 1.00 72.04 ATOM 44 O HIS 3 5.717 -6.819 -4.758 1.00 42.33 ATOM 45 N HIS 4 7.871 -6.970 -5.418 1.00 22.31 ATOM 46 HN HIS 4 8.505 -6.827 -6.151 1.00 37.92 ATOM 47 CA HIS 4 8.385 -7.486 -4.135 1.00 53.30 ATOM 48 HA HIS 4 9.461 -7.533 -4.222 1.00 41.23 ATOM 49 CB HIS 4 8.036 -6.527 -2.982 1.00 34.15 ATOM 50 HB1 HIS 4 8.298 -6.994 -2.042 1.00 37.92 ATOM 51 HB2 HIS 4 6.975 -6.327 -2.993 1.00 54.12 ATOM 52 CG HIS 4 8.754 -5.213 -3.058 1.00 3.20 ATOM 53 ND1 HIS 4 8.207 -4.081 -3.625 1.00 72.23 ATOM 54 HD1 HIS 4 7.313 -4.013 -4.025 1.00 1.12 ATOM 55 CD2 HIS 4 9.988 -4.852 -2.631 1.00 60.20 ATOM 56 HD2 HIS 4 10.707 -5.489 -2.135 1.00 11.11 ATOM 57 CE1 HIS 4 9.068 -3.089 -3.545 1.00 32.04 ATOM 58 HE1 HIS 4 8.907 -2.084 -3.906 1.00 74.50 ATOM 59 NE2 HIS 4 10.157 -3.526 -2.945 1.00 22.31 ATOM 60 HE2 HIS 4 10.857 -2.947 -2.574 1.00 37.92 ATOM 61 C HIS 4 7.875 -8.909 -3.827 1.00 52.31 ATOM 62 O HIS 4 7.793 -9.311 -2.666 1.00 20.13 ATOM 63 N HIS 5 7.565 -9.684 -4.869 1.00 73.34 ATOM 64 HN HIS 5 7.684 -9.331 -5.778 1.00 37.92 ATOM 65 CA HIS 5 7.043 -11.049 -4.690 1.00 0.11 ATOM 66 HA HIS 5 6.795 -11.166 -3.643 1.00 41.53 ATOM 67 CB HIS 5 5.759 -11.229 -5.508 1.00 31.20 ATOM 68 HB1 HIS 5 5.499 -12.279 -5.534 1.00 37.92 ATOM 69 HB2 HIS 5 5.930 -10.880 -6.516 1.00 73.43 ATOM 70 CG HIS 5 4.580 -10.481 -4.953 1.00 24.11 ATOM 71 ND1 HIS 5 3.285 -10.714 -5.357 1.00 65.51 ATOM 72 HD1 HIS 5 3.003 -11.370 -6.031 1.00 10.32 ATOM 73 CD2 HIS 5 4.502 -9.505 -4.014 1.00 54.45 ATOM 74 HD2 HIS 5 5.329 -9.066 -3.474 1.00 54.55 ATOM 75 CE1 HIS 5 2.466 -9.921 -4.697 1.00 42.21 ATOM 76 HE1 HIS 5 1.392 -9.893 -4.804 1.00 31.13 ATOM 77 NE2 HIS 5 3.177 -9.179 -3.875 1.00 13.05 ATOM 78 HE2 HIS 5 2.801 -8.638 -3.147 1.00 37.92 ATOM 79 C HIS 5 8.067 -12.143 -5.057 1.00 40.44 ATOM 80 O HIS 5 7.700 -13.306 -5.241 1.00 54.13 ATOM 81 N HIS 6 9.347 -11.789 -5.151 1.00 64.20 ATOM 82 HN HIS 6 9.591 -10.841 -5.089 1.00 37.92 ATOM 83 CA HIS 6 10.398 -12.799 -5.344 1.00 65.42 ATOM 84 HA HIS 6 9.990 -13.582 -5.970 1.00 24.22 ATOM 85 CB HIS 6 11.630 -12.198 -6.042 1.00 0.35 ATOM 86 HB1 HIS 6 12.435 -12.919 -6.015 1.00 37.92 ATOM 87 HB2 HIS 6 11.937 -11.310 -5.510 1.00 4.34 ATOM 88 CG HIS 6 11.405 -11.816 -7.477 1.00 41.41 ATOM 89 ND1 HIS 6 11.788 -12.610 -8.535 1.00 61.20 ATOM 90 HD1 HIS 6 12.218 -13.490 -8.468 1.00 32.25 ATOM 91 CD2 HIS 6 10.860 -10.707 -8.028 1.00 74.11 ATOM 92 HD2 HIS 6 10.445 -9.863 -7.493 1.00 70.22 ATOM 93 CE1 HIS 6 11.492 -12.009 -9.668 1.00 34.12 ATOM 94 HE1 HIS 6 11.673 -12.403 -10.658 1.00 4.04 ATOM 95 NE2 HIS 6 10.928 -10.851 -9.393 1.00 41.44 ATOM 96 HE2 HIS 6 10.842 -10.115 -10.036 1.00 37.92 ATOM 97 C HIS 6 10.805 -13.420 -3.992 1.00 14.23 ATOM 98 O HIS 6 11.917 -13.208 -3.504 1.00 53.55 ATOM 99 N HIS 7 9.889 -14.176 -3.382 1.00 43.14 ATOM 100 HN HIS 7 9.023 -14.321 -3.821 1.00 37.92 ATOM 101 CA HIS 7 10.133 -14.784 -2.065 1.00 72.51 ATOM 102 HA HIS 7 10.705 -14.075 -1.480 1.00 23.43 ATOM 103 CB HIS 7 8.802 -15.049 -1.346 1.00 62.02 ATOM 104 HB1 HIS 7 8.297 -15.873 -1.829 1.00 37.92 ATOM 105 HB2 HIS 7 8.182 -14.167 -1.415 1.00 41.23 ATOM 106 CG HIS 7 8.956 -15.388 0.109 1.00 62.12 ATOM 107 ND1 HIS 7 8.730 -16.648 0.623 1.00 42.22 ATOM 108 HD1 HIS 7 8.440 -17.434 0.115 1.00 75.22 ATOM 109 CD2 HIS 7 9.305 -14.615 1.167 1.00 72.30 ATOM 110 HD2 HIS 7 9.555 -13.564 1.141 1.00 70.11 ATOM 111 CE1 HIS 7 8.932 -16.636 1.925 1.00 4.13 ATOM 112 HE1 HIS 7 8.831 -17.481 2.589 1.00 55.21 ATOM 113 NE2 HIS 7 9.282 -15.419 2.278 1.00 2.44 ATOM 114 HE2 HIS 7 9.493 -15.135 3.196 1.00 37.92 ATOM 115 C HIS 7 10.944 -16.086 -2.182 1.00 13.24 ATOM 116 O HIS 7 11.890 -16.301 -1.425 1.00 43.34 ATOM 117 N HIS 8 10.572 -16.960 -3.125 1.00 24.22 ATOM 118 HN HIS 8 9.791 -16.759 -3.686 1.00 37.92 ATOM 119 CA HIS 8 11.312 -18.216 -3.334 1.00 64.23 ATOM 120 HA HIS 8 12.355 -18.010 -3.136 1.00 35.32 ATOM 121 CB HIS 8 10.840 -19.300 -2.347 1.00 74.05 ATOM 122 HB1 HIS 8 9.792 -19.502 -2.517 1.00 37.92 ATOM 123 HB2 HIS 8 10.971 -18.941 -1.335 1.00 13.11 ATOM 124 CG HIS 8 11.591 -20.596 -2.479 1.00 22.12 ATOM 125 ND1 HIS 8 12.751 -20.865 -1.789 1.00 33.03 ATOM 126 HD1 HIS 8 13.181 -20.272 -1.137 1.00 62.40 ATOM 127 CD2 HIS 8 11.355 -21.690 -3.246 1.00 11.34 ATOM 128 HD2 HIS 8 10.524 -21.833 -3.923 1.00 62.51 ATOM 129 CE1 HIS 8 13.199 -22.058 -2.126 1.00 24.13 ATOM 130 HE1 HIS 8 14.093 -22.528 -1.744 1.00 3.33 ATOM 131 NE2 HIS 8 12.371 -22.579 -3.006 1.00 3.42 ATOM 132 HE2 HIS 8 12.544 -23.395 -3.525 1.00 37.92 ATOM 133 C HIS 8 11.195 -18.748 -4.775 1.00 10.25 ATOM 134 O HIS 8 10.207 -19.393 -5.127 1.00 11.43 ATOM 135 N SER 9 12.203 -18.448 -5.601 1.00 62.43 ATOM 136 HN SER 9 12.864 -17.786 -5.306 1.00 37.92 ATOM 137 CA SER 9 12.386 -19.078 -6.930 1.00 61.53 ATOM 138 HA SER 9 13.184 -18.544 -7.425 1.00 4.40 ATOM 139 CB SER 9 12.829 -20.543 -6.761 1.00 1.13 ATOM 140 HB1 SER 9 12.960 -20.994 -7.735 1.00 37.92 ATOM 141 HB2 SER 9 12.073 -21.087 -6.213 1.00 4.03 ATOM 142 OG SER 9 14.055 -20.636 -6.051 1.00 51.31 ATOM 143 HG SER 9 14.711 -21.084 -6.601 1.00 10.22 ATOM 144 C SER 9 11.147 -19.033 -7.849 1.00 35.21 ATOM 145 O SER 9 11.123 -19.701 -8.882 1.00 23.44 ATOM 146 N HIS 10 10.128 -18.252 -7.503 1.00 20.32 ATOM 147 HN HIS 10 10.185 -17.713 -6.689 1.00 37.92 ATOM 148 CA HIS 10 8.921 -18.186 -8.333 1.00 62.23 ATOM 149 HA HIS 10 8.679 -19.204 -8.613 1.00 23.23 ATOM 150 CB HIS 10 7.738 -17.613 -7.543 1.00 62.13 ATOM 151 HB1 HIS 10 6.973 -17.285 -8.233 1.00 37.92 ATOM 152 HB2 HIS 10 8.076 -16.770 -6.960 1.00 30.52 ATOM 153 CG HIS 10 7.125 -18.611 -6.606 1.00 33.23 ATOM 154 ND1 HIS 10 6.107 -18.306 -5.729 1.00 13.21 ATOM 155 HD1 HIS 10 5.689 -17.423 -5.614 1.00 23.13 ATOM 156 CD2 HIS 10 7.378 -19.930 -6.433 1.00 62.51 ATOM 157 HD2 HIS 10 8.117 -20.515 -6.962 1.00 24.00 ATOM 158 CE1 HIS 10 5.763 -19.389 -5.063 1.00 11.24 ATOM 159 HE1 HIS 10 4.992 -19.449 -4.309 1.00 63.34 ATOM 160 NE2 HIS 10 6.517 -20.388 -5.471 1.00 34.23 ATOM 161 HE2 HIS 10 6.359 -21.331 -5.258 1.00 37.92 ATOM 162 C HIS 10 9.167 -17.393 -9.622 1.00 33.01 ATOM 163 O HIS 10 8.987 -16.176 -9.674 1.00 40.34 ATOM 164 N MET 11 9.615 -18.110 -10.649 1.00 45.12 ATOM 165 HN MET 11 9.781 -19.066 -10.511 1.00 37.92 ATOM 166 CA MET 11 9.884 -17.534 -11.969 1.00 73.13 ATOM 167 HA MET 11 9.763 -16.461 -11.897 1.00 44.52 ATOM 168 CB MET 11 11.327 -17.845 -12.387 1.00 52.44 ATOM 169 HB1 MET 11 11.996 -17.203 -11.831 1.00 37.92 ATOM 170 HB2 MET 11 11.441 -17.635 -13.441 1.00 50.30 ATOM 171 CG MET 11 11.742 -19.292 -12.138 1.00 22.03 ATOM 172 HG1 MET 11 10.975 -19.946 -12.529 1.00 37.92 ATOM 173 HG2 MET 11 11.836 -19.450 -11.073 1.00 61.43 ATOM 174 SD MET 11 13.309 -19.708 -12.925 1.00 40.31 ATOM 175 CE MET 11 12.814 -19.669 -14.643 1.00 31.45 ATOM 176 HE1 MET 11 13.672 -19.861 -15.269 1.00 25.15 ATOM 177 HE2 MET 11 12.403 -18.699 -14.878 1.00 31.03 ATOM 178 HE3 MET 11 12.066 -20.429 -14.815 1.00 14.31 ATOM 179 C MET 11 8.901 -18.072 -13.021 1.00 53.51 ATOM 180 O MET 11 8.836 -19.276 -13.275 1.00 4.03 ATOM 181 N LEU 12 8.130 -17.173 -13.622 1.00 13.43 ATOM 182 HN LEU 12 8.230 -16.228 -13.381 1.00 37.92 ATOM 183 CA LEU 12 7.145 -17.548 -14.640 1.00 22.11 ATOM 184 HA LEU 12 7.144 -18.627 -14.721 1.00 10.25 ATOM 185 CB LEU 12 5.734 -17.081 -14.228 1.00 55.43 ATOM 186 HB1 LEU 12 5.056 -17.320 -15.034 1.00 37.92 ATOM 187 HB2 LEU 12 5.756 -16.005 -14.114 1.00 54.42 ATOM 188 CG LEU 12 5.164 -17.691 -12.927 1.00 64.11 ATOM 189 HG LEU 12 5.355 -18.755 -12.928 1.00 31.24 ATOM 190 CD1 LEU 12 5.840 -17.102 -11.692 1.00 1.14 ATOM 191 HD11 LEU 12 5.433 -17.566 -10.806 1.00 61.00 ATOM 192 HD12 LEU 12 5.664 -16.037 -11.655 1.00 4.13 ATOM 193 HD13 LEU 12 6.902 -17.291 -11.739 1.00 14.02 ATOM 194 CD2 LEU 12 3.654 -17.489 -12.852 1.00 11.01 ATOM 195 HD21 LEU 12 3.277 -17.938 -11.944 1.00 12.21 ATOM 196 HD22 LEU 12 3.185 -17.957 -13.705 1.00 51.24 ATOM 197 HD23 LEU 12 3.428 -16.432 -12.851 1.00 14.35 ATOM 198 C LEU 12 7.516 -16.958 -16.012 1.00 60.24 ATOM 199 O LEU 12 8.483 -16.207 -16.135 1.00 42.03 ATOM 200 N THR 13 6.745 -17.303 -17.043 1.00 2.21 ATOM 201 HN THR 13 6.018 -17.940 -16.903 1.00 37.92 ATOM 202 CA THR 13 6.965 -16.758 -18.392 1.00 4.25 ATOM 203 HA THR 13 8.019 -16.848 -18.621 1.00 43.23 ATOM 204 CB THR 13 6.170 -17.545 -19.461 1.00 23.14 ATOM 205 HB THR 13 6.235 -17.012 -20.400 1.00 22.14 ATOM 206 OG1 THR 13 4.791 -17.636 -19.081 1.00 12.22 ATOM 207 HG1 THR 13 4.275 -17.977 -19.829 1.00 72.31 ATOM 208 CG2 THR 13 6.740 -18.940 -19.659 1.00 75.21 ATOM 209 HG21 THR 13 6.719 -19.475 -18.720 1.00 13.12 ATOM 210 HG22 THR 13 7.758 -18.869 -20.011 1.00 4.32 ATOM 211 HG23 THR 13 6.144 -19.473 -20.388 1.00 51.23 ATOM 212 C THR 13 6.564 -15.281 -18.484 1.00 51.44 ATOM 213 O THR 13 6.234 -14.647 -17.479 1.00 31.24 ATOM 214 N LYS 14 6.594 -14.746 -19.700 1.00 45.31 ATOM 215 HN LYS 14 6.858 -15.308 -20.456 1.00 37.92 ATOM 216 CA LYS 14 6.238 -13.349 -19.955 1.00 42.52 ATOM 217 HA LYS 14 6.962 -12.732 -19.458 1.00 75.34 ATOM 218 CB LYS 14 6.340 -13.073 -21.451 1.00 54.51 ATOM 219 HB1 LYS 14 6.103 -12.036 -21.637 1.00 37.92 ATOM 220 HB2 LYS 14 5.631 -13.700 -21.977 1.00 3.14 ATOM 221 CG LYS 14 7.738 -13.352 -21.995 1.00 72.32 ATOM 222 HG1 LYS 14 8.010 -14.371 -21.755 1.00 37.92 ATOM 223 HG2 LYS 14 8.438 -12.673 -21.530 1.00 22.31 ATOM 224 CD LYS 14 7.791 -13.166 -23.496 1.00 22.20 ATOM 225 HD1 LYS 14 7.580 -12.130 -23.717 1.00 37.92 ATOM 226 HD2 LYS 14 7.032 -13.787 -23.934 1.00 31.23 ATOM 227 CE LYS 14 9.152 -13.539 -24.091 1.00 73.15 ATOM 228 HE1 LYS 14 9.913 -12.925 -23.629 1.00 37.92 ATOM 229 HE2 LYS 14 9.131 -13.342 -25.153 1.00 44.22 ATOM 230 NZ LYS 14 9.493 -14.974 -23.878 1.00 22.22 ATOM 231 HZ1 LYS 14 9.528 -15.190 -22.863 1.00 74.54 ATOM 232 HZ2 LYS 14 10.424 -15.191 -24.295 1.00 73.53 ATOM 233 HZ3 LYS 14 8.782 -15.584 -24.326 1.00 53.41 ATOM 234 C LYS 14 4.831 -13.017 -19.417 1.00 63.35 ATOM 235 O LYS 14 3.858 -13.709 -19.730 1.00 13.41 ATOM 236 N HIS 15 4.745 -11.970 -18.587 1.00 21.41 ATOM 237 HN HIS 15 5.556 -11.441 -18.415 1.00 37.92 ATOM 238 CA HIS 15 3.485 -11.556 -17.935 1.00 74.21 ATOM 239 HA HIS 15 3.702 -10.648 -17.387 1.00 54.34 ATOM 240 CB HIS 15 2.411 -11.239 -18.980 1.00 33.50 ATOM 241 HB1 HIS 15 1.491 -10.978 -18.473 1.00 37.92 ATOM 242 HB2 HIS 15 2.242 -12.112 -19.592 1.00 44.13 ATOM 243 CG HIS 15 2.775 -10.103 -19.889 1.00 43.24 ATOM 244 ND1 HIS 15 2.567 -8.781 -19.564 1.00 2.20 ATOM 245 HD1 HIS 15 2.167 -8.449 -18.732 1.00 3.15 ATOM 246 CD2 HIS 15 3.339 -10.095 -21.121 1.00 53.33 ATOM 247 HD2 HIS 15 3.639 -10.961 -21.695 1.00 33.33 ATOM 248 CE1 HIS 15 2.985 -8.015 -20.550 1.00 11.21 ATOM 249 HE1 HIS 15 2.947 -6.934 -20.570 1.00 13.12 ATOM 250 NE2 HIS 15 3.458 -8.785 -21.507 1.00 55.14 ATOM 251 HE2 HIS 15 4.041 -8.468 -22.231 1.00 37.92 ATOM 252 C HIS 15 2.957 -12.604 -16.928 1.00 52.35 ATOM 253 O HIS 15 1.807 -12.528 -16.485 1.00 43.53 ATOM 254 N GLY 16 3.798 -13.568 -16.561 1.00 34.24 ATOM 255 HN GLY 16 4.678 -13.613 -16.985 1.00 37.92 ATOM 256 CA GLY 16 3.440 -14.543 -15.531 1.00 62.21 ATOM 257 HA1 GLY 16 3.061 -14.007 -14.670 1.00 37.92 ATOM 258 HA2 GLY 16 4.335 -15.068 -15.234 1.00 53.10 ATOM 259 C GLY 16 2.395 -15.576 -15.964 1.00 23.34 ATOM 260 O GLY 16 1.320 -15.665 -15.368 1.00 74.20 ATOM 261 N LYS 17 2.710 -16.367 -16.988 1.00 31.12 ATOM 262 HN LYS 17 3.547 -16.209 -17.472 1.00 37.92 ATOM 263 CA LYS 17 1.822 -17.457 -17.434 1.00 31.30 ATOM 264 HA LYS 17 0.835 -17.271 -17.031 1.00 24.34 ATOM 265 CB LYS 17 1.740 -17.472 -18.966 1.00 42.24 ATOM 266 HB1 LYS 17 1.185 -18.346 -19.278 1.00 37.92 ATOM 267 HB2 LYS 17 2.743 -17.538 -19.364 1.00 63.22 ATOM 268 CG LYS 17 1.073 -16.241 -19.574 1.00 72.12 ATOM 269 HG1 LYS 17 1.209 -16.265 -20.647 1.00 37.92 ATOM 270 HG2 LYS 17 1.542 -15.354 -19.171 1.00 51.44 ATOM 271 CD LYS 17 -0.419 -16.194 -19.263 1.00 32.04 ATOM 272 HD1 LYS 17 -0.550 -16.080 -18.195 1.00 37.92 ATOM 273 HD2 LYS 17 -0.875 -17.119 -19.584 1.00 45.42 ATOM 274 CE LYS 17 -1.109 -15.033 -19.968 1.00 41.11 ATOM 275 HE1 LYS 17 -0.889 -15.083 -21.025 1.00 37.92 ATOM 276 HE2 LYS 17 -0.729 -14.105 -19.565 1.00 63.52 ATOM 277 NZ LYS 17 -2.582 -15.074 -19.779 1.00 74.54 ATOM 278 HZ1 LYS 17 -2.969 -15.957 -20.170 1.00 23.22 ATOM 279 HZ2 LYS 17 -3.028 -14.270 -20.264 1.00 44.42 ATOM 280 HZ3 LYS 17 -2.816 -15.027 -18.766 1.00 42.12 ATOM 281 C LYS 17 2.313 -18.828 -16.930 1.00 2.24 ATOM 282 O LYS 17 1.608 -19.828 -17.053 1.00 4.45 ATOM 283 N ASN 18 3.532 -18.856 -16.368 1.00 1.22 ATOM 284 HN ASN 18 4.015 -18.015 -16.273 1.00 37.92 ATOM 285 CA ASN 18 4.168 -20.100 -15.893 1.00 22.12 ATOM 286 HA ASN 18 5.080 -19.817 -15.385 1.00 44.55 ATOM 287 CB ASN 18 3.257 -20.833 -14.892 1.00 41.13 ATOM 288 HB1 ASN 18 2.324 -21.082 -15.380 1.00 37.92 ATOM 289 HB2 ASN 18 3.052 -20.180 -14.055 1.00 51.13 ATOM 290 CG ASN 18 3.880 -22.111 -14.363 1.00 60.11 ATOM 291 OD1 ASN 18 3.713 -23.182 -14.938 1.00 34.52 ATOM 292 ND2 ASN 18 4.599 -22.016 -13.264 1.00 22.24 ATOM 293 HD21 ASN 18 4.695 -21.138 -12.847 1.00 71.33 ATOM 294 HD22 ASN 18 5.005 -22.834 -12.910 1.00 3.44 ATOM 295 C ASN 18 4.531 -21.029 -17.073 1.00 15.12 ATOM 296 O ASN 18 3.652 -21.505 -17.784 1.00 2.44 ATOM 297 N PRO 19 5.840 -21.314 -17.280 1.00 41.14 ATOM 298 CA PRO 19 6.324 -22.088 -18.448 1.00 3.15 ATOM 299 HA PRO 19 6.256 -21.496 -19.353 1.00 44.31 ATOM 300 CB PRO 19 7.811 -22.349 -18.131 1.00 50.41 ATOM 301 HB1 PRO 19 8.430 -21.749 -18.784 1.00 37.92 ATOM 302 HB2 PRO 19 8.043 -23.395 -18.285 1.00 61.20 ATOM 303 CG PRO 19 7.997 -21.960 -16.699 1.00 23.05 ATOM 304 HG1 PRO 19 8.989 -21.550 -16.557 1.00 37.92 ATOM 305 HG2 PRO 19 7.857 -22.824 -16.064 1.00 64.01 ATOM 306 CD PRO 19 6.954 -20.920 -16.403 1.00 54.01 ATOM 307 HD1 PRO 19 7.315 -19.934 -16.657 1.00 37.92 ATOM 308 HD2 PRO 19 6.663 -20.963 -15.363 1.00 53.33 ATOM 309 C PRO 19 5.578 -23.413 -18.678 1.00 41.11 ATOM 310 O PRO 19 5.288 -23.777 -19.817 1.00 33.44 ATOM 311 N VAL 20 5.269 -24.128 -17.600 1.00 70.30 ATOM 312 HN VAL 20 5.506 -23.784 -16.715 1.00 37.92 ATOM 313 CA VAL 20 4.576 -25.415 -17.709 1.00 31.11 ATOM 314 HA VAL 20 5.172 -26.053 -18.348 1.00 32.51 ATOM 315 CB VAL 20 4.447 -26.106 -16.326 1.00 42.04 ATOM 316 HB VAL 20 3.835 -25.479 -15.691 1.00 24.41 ATOM 317 CG1 VAL 20 3.761 -27.467 -16.455 1.00 20.45 ATOM 318 HG11 VAL 20 3.681 -27.925 -15.480 1.00 52.03 ATOM 319 HG12 VAL 20 4.344 -28.105 -17.104 1.00 13.44 ATOM 320 HG13 VAL 20 2.773 -27.337 -16.873 1.00 22.42 ATOM 321 CG2 VAL 20 5.820 -26.250 -15.668 1.00 3.41 ATOM 322 HG21 VAL 20 6.457 -26.859 -16.292 1.00 3.04 ATOM 323 HG22 VAL 20 5.713 -26.718 -14.698 1.00 62.45 ATOM 324 HG23 VAL 20 6.266 -25.273 -15.546 1.00 60.20 ATOM 325 C VAL 20 3.179 -25.249 -18.336 1.00 53.03 ATOM 326 O VAL 20 2.866 -25.862 -19.359 1.00 13.21 ATOM 327 N MET 21 2.349 -24.400 -17.731 1.00 73.03 ATOM 328 HN MET 21 2.661 -23.913 -16.939 1.00 37.92 ATOM 329 CA MET 21 0.987 -24.166 -18.230 1.00 23.22 ATOM 330 HA MET 21 0.509 -25.132 -18.342 1.00 22.10 ATOM 331 CB MET 21 0.183 -23.334 -17.223 1.00 50.03 ATOM 332 HB1 MET 21 -0.825 -23.211 -17.595 1.00 37.92 ATOM 333 HB2 MET 21 0.644 -22.360 -17.127 1.00 40.23 ATOM 334 CG MET 21 0.108 -23.968 -15.840 1.00 34.10 ATOM 335 HG1 MET 21 1.098 -23.965 -15.404 1.00 37.92 ATOM 336 HG2 MET 21 -0.232 -24.989 -15.943 1.00 2.13 ATOM 337 SD MET 21 -1.016 -23.103 -14.723 1.00 53.25 ATOM 338 CE MET 21 -0.333 -21.446 -14.746 1.00 41.30 ATOM 339 HE1 MET 21 0.693 -21.474 -14.408 1.00 40.21 ATOM 340 HE2 MET 21 -0.910 -20.810 -14.091 1.00 55.23 ATOM 341 HE3 MET 21 -0.370 -21.052 -15.752 1.00 61.22 ATOM 342 C MET 21 1.007 -23.473 -19.601 1.00 60.53 ATOM 343 O MET 21 0.242 -23.836 -20.498 1.00 53.03 ATOM 344 N GLU 22 1.890 -22.484 -19.750 1.00 74.20 ATOM 345 HN GLU 22 2.401 -22.189 -18.971 1.00 37.92 ATOM 346 CA GLU 22 2.109 -21.807 -21.038 1.00 13.42 ATOM 347 HA GLU 22 1.231 -21.218 -21.265 1.00 51.55 ATOM 348 CB GLU 22 3.329 -20.880 -20.943 1.00 33.15 ATOM 349 HB1 GLU 22 4.188 -21.469 -20.652 1.00 37.92 ATOM 350 HB2 GLU 22 3.145 -20.135 -20.181 1.00 12.51 ATOM 351 CG GLU 22 3.666 -20.159 -22.248 1.00 43.23 ATOM 352 HG1 GLU 22 3.579 -20.863 -23.066 1.00 37.92 ATOM 353 HG2 GLU 22 4.684 -19.806 -22.200 1.00 20.40 ATOM 354 CD GLU 22 2.750 -18.979 -22.524 1.00 62.14 ATOM 355 OE1 GLU 22 1.810 -19.121 -23.334 1.00 74.32 ATOM 356 OE2 GLU 22 2.975 -17.901 -21.936 1.00 3.11 ATOM 357 C GLU 22 2.349 -22.821 -22.164 1.00 60.23 ATOM 358 O GLU 22 1.667 -22.809 -23.190 1.00 74.14 ATOM 359 N LEU 23 3.333 -23.695 -21.955 1.00 5.32 ATOM 360 HN LEU 23 3.846 -23.639 -21.120 1.00 37.92 ATOM 361 CA LEU 23 3.684 -24.729 -22.929 1.00 20.42 ATOM 362 HA LEU 23 4.016 -24.233 -23.830 1.00 33.55 ATOM 363 CB LEU 23 4.830 -25.593 -22.384 1.00 13.04 ATOM 364 HB1 LEU 23 4.472 -26.122 -21.513 1.00 37.92 ATOM 365 HB2 LEU 23 5.632 -24.934 -22.077 1.00 11.15 ATOM 366 CG LEU 23 5.405 -26.622 -23.367 1.00 73.01 ATOM 367 HG LEU 23 4.603 -27.246 -23.735 1.00 40.11 ATOM 368 CD1 LEU 23 6.040 -25.926 -24.570 1.00 54.41 ATOM 369 HD11 LEU 23 6.428 -26.666 -25.253 1.00 34.22 ATOM 370 HD12 LEU 23 6.845 -25.288 -24.237 1.00 40.14 ATOM 371 HD13 LEU 23 5.294 -25.328 -25.076 1.00 14.35 ATOM 372 CD2 LEU 23 6.416 -27.525 -22.661 1.00 13.22 ATOM 373 HD21 LEU 23 7.232 -26.928 -22.283 1.00 35.33 ATOM 374 HD22 LEU 23 6.797 -28.256 -23.359 1.00 72.32 ATOM 375 HD23 LEU 23 5.932 -28.034 -21.839 1.00 30.13 ATOM 376 C LEU 23 2.475 -25.610 -23.269 1.00 60.55 ATOM 377 O LEU 23 2.257 -25.954 -24.428 1.00 1.12 ATOM 378 N ASN 24 1.685 -25.954 -22.255 1.00 74.33 ATOM 379 HN ASN 24 1.923 -25.662 -21.349 1.00 37.92 ATOM 380 CA ASN 24 0.474 -26.757 -22.453 1.00 32.10 ATOM 381 HA ASN 24 0.759 -27.624 -23.034 1.00 22.35 ATOM 382 CB ASN 24 -0.069 -27.239 -21.100 1.00 11.41 ATOM 383 HB1 ASN 24 -1.127 -27.442 -21.186 1.00 37.92 ATOM 384 HB2 ASN 24 0.083 -26.466 -20.360 1.00 13.21 ATOM 385 CG ASN 24 0.627 -28.500 -20.619 1.00 34.50 ATOM 386 OD1 ASN 24 0.168 -29.610 -20.865 1.00 4.32 ATOM 387 ND2 ASN 24 1.745 -28.344 -19.946 1.00 52.44 ATOM 388 HD21 ASN 24 2.068 -27.437 -19.791 1.00 75.41 ATOM 389 HD22 ASN 24 2.213 -29.145 -19.637 1.00 34.13 ATOM 390 C ASN 24 -0.612 -25.992 -23.243 1.00 42.15 ATOM 391 O ASN 24 -1.477 -26.608 -23.871 1.00 12.01 ATOM 392 N GLU 25 -0.576 -24.655 -23.205 1.00 22.31 ATOM 393 HN GLU 25 0.056 -24.208 -22.598 1.00 37.92 ATOM 394 CA GLU 25 -1.475 -23.839 -24.042 1.00 1.43 ATOM 395 HA GLU 25 -2.415 -24.367 -24.128 1.00 34.04 ATOM 396 CB GLU 25 -1.736 -22.459 -23.408 1.00 45.13 ATOM 397 HB1 GLU 25 -2.442 -21.922 -24.027 1.00 37.92 ATOM 398 HB2 GLU 25 -0.807 -21.907 -23.380 1.00 1.12 ATOM 399 CG GLU 25 -2.295 -22.523 -21.989 1.00 43.32 ATOM 400 HG1 GLU 25 -1.486 -22.755 -21.310 1.00 37.92 ATOM 401 HG2 GLU 25 -3.030 -23.313 -21.946 1.00 22.53 ATOM 402 CD GLU 25 -2.948 -21.220 -21.540 1.00 72.10 ATOM 403 OE1 GLU 25 -4.144 -21.250 -21.161 1.00 62.42 ATOM 404 OE2 GLU 25 -2.286 -20.163 -21.581 1.00 72.42 ATOM 405 C GLU 25 -0.894 -23.658 -25.453 1.00 51.11 ATOM 406 O GLU 25 -1.629 -23.531 -26.436 1.00 52.21 ATOM 407 N LYS 26 0.434 -23.643 -25.538 1.00 44.11 ATOM 408 HN LYS 26 0.958 -23.711 -24.711 1.00 37.92 ATOM 409 CA LYS 26 1.142 -23.520 -26.816 1.00 11.12 ATOM 410 HA LYS 26 0.683 -22.713 -27.369 1.00 25.43 ATOM 411 CB LYS 26 2.620 -23.168 -26.563 1.00 53.23 ATOM 412 HB1 LYS 26 3.189 -23.381 -27.458 1.00 37.92 ATOM 413 HB2 LYS 26 2.992 -23.786 -25.757 1.00 21.24 ATOM 414 CG LYS 26 2.861 -21.709 -26.179 1.00 42.11 ATOM 415 HG1 LYS 26 3.910 -21.579 -25.952 1.00 37.92 ATOM 416 HG2 LYS 26 2.272 -21.476 -25.302 1.00 54.45 ATOM 417 CD LYS 26 2.477 -20.753 -27.312 1.00 55.21 ATOM 418 HD1 LYS 26 1.403 -20.768 -27.434 1.00 37.92 ATOM 419 HD2 LYS 26 2.945 -21.089 -28.227 1.00 74.23 ATOM 420 CE LYS 26 2.922 -19.321 -27.030 1.00 13.51 ATOM 421 HE1 LYS 26 2.724 -18.718 -27.904 1.00 37.92 ATOM 422 HE2 LYS 26 3.984 -19.318 -26.830 1.00 52.53 ATOM 423 NZ LYS 26 2.215 -18.727 -25.865 1.00 75.21 ATOM 424 HZ1 LYS 26 2.272 -19.360 -25.042 1.00 31.43 ATOM 425 HZ2 LYS 26 1.215 -18.565 -26.095 1.00 20.22 ATOM 426 HZ3 LYS 26 2.648 -17.816 -25.614 1.00 31.53 ATOM 427 C LYS 26 1.034 -24.808 -27.654 1.00 45.33 ATOM 428 O LYS 26 0.779 -24.756 -28.860 1.00 23.34 ATOM 429 N ARG 27 1.218 -25.961 -27.010 1.00 65.11 ATOM 430 HN ARG 27 1.419 -25.938 -26.052 1.00 37.92 ATOM 431 CA ARG 27 1.120 -27.270 -27.678 1.00 64.31 ATOM 432 HA ARG 27 0.511 -27.153 -28.564 1.00 10.41 ATOM 433 CB ARG 27 2.517 -27.780 -28.083 1.00 4.12 ATOM 434 HB1 ARG 27 2.417 -28.781 -28.486 1.00 37.92 ATOM 435 HB2 ARG 27 3.135 -27.828 -27.197 1.00 5.12 ATOM 436 CG ARG 27 3.249 -26.923 -29.118 1.00 11.04 ATOM 437 HG1 ARG 27 4.260 -27.294 -29.223 1.00 37.92 ATOM 438 HG2 ARG 27 3.278 -25.901 -28.768 1.00 43.24 ATOM 439 CD ARG 27 2.569 -26.950 -30.487 1.00 32.21 ATOM 440 HD1 ARG 27 1.600 -26.476 -30.404 1.00 37.92 ATOM 441 HD2 ARG 27 2.441 -27.979 -30.795 1.00 3.12 ATOM 442 NE ARG 27 3.361 -26.246 -31.497 1.00 20.43 ATOM 443 HE ARG 27 4.270 -25.982 -31.252 1.00 54.11 ATOM 444 CZ ARG 27 2.947 -25.959 -32.701 1.00 51.42 ATOM 445 NH1 ARG 27 1.756 -26.282 -33.090 1.00 62.30 ATOM 446 HH11 ARG 27 1.141 -26.760 -32.470 1.00 73.33 ATOM 447 HH12 ARG 27 1.459 -26.065 -34.020 1.00 31.42 ATOM 448 NH2 ARG 27 3.738 -25.342 -33.515 1.00 71.50 ATOM 449 HH21 ARG 27 4.658 -25.094 -33.220 1.00 10.20 ATOM 450 HH22 ARG 27 3.431 -25.120 -34.440 1.00 41.53 ATOM 451 C ARG 27 0.461 -28.308 -26.750 1.00 2.02 ATOM 452 O ARG 27 0.495 -28.164 -25.529 1.00 4.52 ATOM 453 N ARG 28 -0.137 -29.354 -27.324 1.00 3.10 ATOM 454 HN ARG 28 -0.235 -29.373 -28.300 1.00 37.92 ATOM 455 CA ARG 28 -0.650 -30.478 -26.519 1.00 52.33 ATOM 456 HA ARG 28 -0.278 -30.343 -25.511 1.00 34.22 ATOM 457 CB ARG 28 -2.193 -30.499 -26.467 1.00 43.31 ATOM 458 HB1 ARG 28 -2.537 -29.495 -26.255 1.00 37.92 ATOM 459 HB2 ARG 28 -2.497 -31.141 -25.654 1.00 34.53 ATOM 460 CG ARG 28 -2.903 -30.985 -27.731 1.00 50.50 ATOM 461 HG1 ARG 28 -3.954 -31.103 -27.509 1.00 37.92 ATOM 462 HG2 ARG 28 -2.491 -31.944 -28.014 1.00 12.22 ATOM 463 CD ARG 28 -2.753 -30.022 -28.905 1.00 1.14 ATOM 464 HD1 ARG 28 -1.765 -30.140 -29.331 1.00 37.92 ATOM 465 HD2 ARG 28 -2.868 -29.010 -28.544 1.00 45.33 ATOM 466 NE ARG 28 -3.753 -30.266 -29.942 1.00 74.13 ATOM 467 HE ARG 28 -4.660 -30.479 -29.650 1.00 73.23 ATOM 468 CZ ARG 28 -3.530 -30.181 -31.224 1.00 1.22 ATOM 469 NH1 ARG 28 -2.336 -29.972 -31.676 1.00 53.35 ATOM 470 HH11 ARG 28 -1.571 -29.884 -31.043 1.00 73.23 ATOM 471 HH12 ARG 28 -2.183 -29.895 -32.659 1.00 25.30 ATOM 472 NH2 ARG 28 -4.511 -30.340 -32.049 1.00 21.41 ATOM 473 HH21 ARG 28 -5.427 -30.528 -31.699 1.00 33.51 ATOM 474 HH22 ARG 28 -4.352 -30.280 -33.034 1.00 3.01 ATOM 475 C ARG 28 -0.106 -31.816 -27.033 1.00 25.15 ATOM 476 O ARG 28 0.379 -31.907 -28.160 1.00 63.52 ATOM 477 N GLY 29 -0.196 -32.853 -26.207 1.00 63.14 ATOM 478 HN GLY 29 -0.691 -32.757 -25.366 1.00 37.92 ATOM 479 CA GLY 29 0.438 -34.128 -26.535 1.00 44.20 ATOM 480 HA1 GLY 29 0.402 -34.278 -27.603 1.00 37.92 ATOM 481 HA2 GLY 29 -0.103 -34.927 -26.048 1.00 45.15 ATOM 482 C GLY 29 1.892 -34.165 -26.079 1.00 74.43 ATOM 483 O GLY 29 2.739 -34.824 -26.686 1.00 63.52 ATOM 484 N LEU 30 2.168 -33.442 -24.996 1.00 73.52 ATOM 485 HN LEU 30 1.432 -32.984 -24.543 1.00 37.92 ATOM 486 CA LEU 30 3.521 -33.305 -24.454 1.00 52.33 ATOM 487 HA LEU 30 4.214 -33.265 -25.283 1.00 33.20 ATOM 488 CB LEU 30 3.625 -32.000 -23.648 1.00 14.32 ATOM 489 HB1 LEU 30 4.665 -31.838 -23.398 1.00 37.92 ATOM 490 HB2 LEU 30 3.069 -32.125 -22.729 1.00 11.43 ATOM 491 CG LEU 30 3.103 -30.739 -24.359 1.00 12.32 ATOM 492 HG LEU 30 2.061 -30.884 -24.613 1.00 31.14 ATOM 493 CD1 LEU 30 3.188 -29.527 -23.434 1.00 54.25 ATOM 494 HD11 LEU 30 2.815 -28.651 -23.948 1.00 15.13 ATOM 495 HD12 LEU 30 4.216 -29.362 -23.145 1.00 41.30 ATOM 496 HD13 LEU 30 2.591 -29.704 -22.550 1.00 73.33 ATOM 497 CD2 LEU 30 3.872 -30.493 -25.655 1.00 54.23 ATOM 498 HD21 LEU 30 3.511 -29.590 -26.126 1.00 70.11 ATOM 499 HD22 LEU 30 3.726 -31.328 -26.324 1.00 63.41 ATOM 500 HD23 LEU 30 4.927 -30.389 -25.437 1.00 51.42 ATOM 501 C LEU 30 3.885 -34.495 -23.555 1.00 1.51 ATOM 502 O LEU 30 3.011 -35.223 -23.076 1.00 21.00 ATOM 503 N LYS 31 5.177 -34.682 -23.317 1.00 53.25 ATOM 504 HN LYS 31 5.829 -34.094 -23.749 1.00 37.92 ATOM 505 CA LYS 31 5.647 -35.758 -22.440 1.00 53.43 ATOM 506 HA LYS 31 4.797 -36.110 -21.867 1.00 42.44 ATOM 507 CB LYS 31 6.188 -36.927 -23.276 1.00 1.11 ATOM 508 HB1 LYS 31 6.984 -36.564 -23.911 1.00 37.92 ATOM 509 HB2 LYS 31 5.389 -37.304 -23.898 1.00 30.33 ATOM 510 CG LYS 31 6.731 -38.084 -22.439 1.00 62.14 ATOM 511 HG1 LYS 31 5.989 -38.368 -21.707 1.00 37.92 ATOM 512 HG2 LYS 31 7.627 -37.755 -21.931 1.00 3.52 ATOM 513 CD LYS 31 7.075 -39.298 -23.303 1.00 53.54 ATOM 514 HD1 LYS 31 7.447 -40.087 -22.664 1.00 37.92 ATOM 515 HD2 LYS 31 7.843 -39.019 -24.011 1.00 42.34 ATOM 516 CE LYS 31 5.861 -39.816 -24.072 1.00 3.41 ATOM 517 HE1 LYS 31 5.506 -39.034 -24.732 1.00 37.92 ATOM 518 HE2 LYS 31 5.083 -40.070 -23.369 1.00 44.34 ATOM 519 NZ LYS 31 6.186 -41.019 -24.884 1.00 32.10 ATOM 520 HZ1 LYS 31 6.599 -41.758 -24.281 1.00 35.22 ATOM 521 HZ2 LYS 31 6.869 -40.776 -25.629 1.00 52.21 ATOM 522 HZ3 LYS 31 5.323 -41.394 -25.331 1.00 44.23 ATOM 523 C LYS 31 6.717 -35.264 -21.459 1.00 53.24 ATOM 524 O LYS 31 7.862 -35.031 -21.841 1.00 44.23 ATOM 525 N TYR 32 6.326 -35.087 -20.197 1.00 54.43 ATOM 526 HN TYR 32 5.377 -35.205 -19.975 1.00 37.92 ATOM 527 CA TYR 32 7.267 -34.718 -19.132 1.00 42.41 ATOM 528 HA TYR 32 8.079 -34.158 -19.577 1.00 61.52 ATOM 529 CB TYR 32 6.573 -33.844 -18.076 1.00 12.03 ATOM 530 HB1 TYR 32 7.270 -33.643 -17.274 1.00 37.92 ATOM 531 HB2 TYR 32 5.728 -34.387 -17.672 1.00 62.54 ATOM 532 CG TYR 32 6.058 -32.509 -18.588 1.00 62.41 ATOM 533 CD1 TYR 32 6.864 -31.373 -18.570 1.00 52.35 ATOM 534 HD1 TYR 32 7.876 -31.453 -18.202 1.00 64.21 ATOM 535 CD2 TYR 32 4.756 -32.380 -19.065 1.00 63.13 ATOM 536 HD2 TYR 32 4.116 -33.252 -19.088 1.00 72.13 ATOM 537 CE1 TYR 32 6.389 -30.151 -19.011 1.00 13.15 ATOM 538 HE1 TYR 32 7.034 -29.280 -18.989 1.00 11.22 ATOM 539 CE2 TYR 32 4.276 -31.163 -19.513 1.00 60.55 ATOM 540 HE2 TYR 32 3.263 -31.085 -19.881 1.00 50.53 ATOM 541 CZ TYR 32 5.094 -30.052 -19.482 1.00 43.32 ATOM 542 OH TYR 32 4.612 -28.836 -19.916 1.00 34.43 ATOM 543 HH TYR 32 5.264 -28.418 -20.485 1.00 73.25 ATOM 544 C TYR 32 7.836 -35.975 -18.449 1.00 23.11 ATOM 545 O TYR 32 7.101 -36.723 -17.800 1.00 50.23 ATOM 546 N GLU 33 9.138 -36.214 -18.601 1.00 51.23 ATOM 547 HN GLU 33 9.667 -35.623 -19.177 1.00 37.92 ATOM 548 CA GLU 33 9.796 -37.353 -17.942 1.00 42.45 ATOM 549 HA GLU 33 9.089 -37.782 -17.243 1.00 24.41 ATOM 550 CB GLU 33 10.174 -38.423 -18.972 1.00 35.42 ATOM 551 HB1 GLU 33 9.277 -38.747 -19.479 1.00 37.92 ATOM 552 HB2 GLU 33 10.603 -39.267 -18.451 1.00 1.34 ATOM 553 CG GLU 33 11.173 -37.954 -20.023 1.00 64.42 ATOM 554 HG1 GLU 33 12.094 -37.674 -19.529 1.00 37.92 ATOM 555 HG2 GLU 33 10.766 -37.093 -20.528 1.00 74.51 ATOM 556 CD GLU 33 11.479 -39.030 -21.054 1.00 41.34 ATOM 557 OE1 GLU 33 12.545 -39.673 -20.956 1.00 51.53 ATOM 558 OE2 GLU 33 10.641 -39.254 -21.952 1.00 60.41 ATOM 559 C GLU 33 11.045 -36.919 -17.160 1.00 72.23 ATOM 560 O GLU 33 11.541 -35.801 -17.315 1.00 61.33 ATOM 561 N LEU 34 11.555 -37.825 -16.334 1.00 1.43 ATOM 562 HN LEU 34 11.150 -38.716 -16.308 1.00 37.92 ATOM 563 CA LEU 34 12.715 -37.546 -15.479 1.00 71.20 ATOM 564 HA LEU 34 12.824 -36.471 -15.399 1.00 32.32 ATOM 565 CB LEU 34 12.484 -38.130 -14.076 1.00 2.24 ATOM 566 HB1 LEU 34 12.284 -39.188 -14.184 1.00 37.92 ATOM 567 HB2 LEU 34 11.604 -37.661 -13.655 1.00 53.45 ATOM 568 CG LEU 34 13.647 -37.962 -13.080 1.00 13.32 ATOM 569 HG LEU 34 14.555 -38.332 -13.537 1.00 33.02 ATOM 570 CD1 LEU 34 13.873 -36.491 -12.734 1.00 12.33 ATOM 571 HD11 LEU 34 14.087 -35.937 -13.637 1.00 71.04 ATOM 572 HD12 LEU 34 14.709 -36.404 -12.054 1.00 72.43 ATOM 573 HD13 LEU 34 12.986 -36.087 -12.267 1.00 71.30 ATOM 574 CD2 LEU 34 13.393 -38.782 -11.818 1.00 34.31 ATOM 575 HD21 LEU 34 12.478 -38.451 -11.349 1.00 13.43 ATOM 576 HD22 LEU 34 14.216 -38.653 -11.130 1.00 14.32 ATOM 577 HD23 LEU 34 13.305 -39.826 -12.079 1.00 3.43 ATOM 578 C LEU 34 14.004 -38.135 -16.077 1.00 74.31 ATOM 579 O LEU 34 14.123 -39.349 -16.255 1.00 44.02 ATOM 580 N ILE 35 14.967 -37.272 -16.382 1.00 71.10 ATOM 581 HN ILE 35 14.812 -36.313 -16.237 1.00 37.92 ATOM 582 CA ILE 35 16.253 -37.711 -16.934 1.00 34.11 ATOM 583 HA ILE 35 16.078 -38.602 -17.523 1.00 45.24 ATOM 584 CB ILE 35 16.861 -36.623 -17.859 1.00 15.11 ATOM 585 HB ILE 35 17.029 -35.735 -17.264 1.00 22.20 ATOM 586 CG1 ILE 35 15.883 -36.278 -18.995 1.00 1.35 ATOM 587 HG11 ILE 35 16.322 -35.514 -19.621 1.00 37.92 ATOM 588 HG12 ILE 35 14.965 -35.898 -18.568 1.00 14.14 ATOM 589 CG2 ILE 35 18.214 -37.070 -18.424 1.00 20.21 ATOM 590 HG21 ILE 35 18.903 -37.247 -17.611 1.00 44.12 ATOM 591 HG22 ILE 35 18.610 -36.297 -19.067 1.00 41.52 ATOM 592 HG23 ILE 35 18.087 -37.981 -18.994 1.00 30.30 ATOM 593 CD1 ILE 35 15.530 -37.457 -19.880 1.00 22.23 ATOM 594 HD11 ILE 35 16.428 -37.847 -20.338 1.00 63.50 ATOM 595 HD12 ILE 35 14.844 -37.135 -20.649 1.00 23.21 ATOM 596 HD13 ILE 35 15.065 -38.228 -19.284 1.00 41.51 ATOM 597 C ILE 35 17.253 -38.045 -15.815 1.00 52.34 ATOM 598 O ILE 35 17.964 -39.053 -15.875 1.00 2.05 ATOM 599 N SER 36 17.300 -37.196 -14.791 1.00 22.43 ATOM 600 HN SER 36 16.687 -36.429 -14.779 1.00 37.92 ATOM 601 CA SER 36 18.243 -37.383 -13.675 1.00 73.35 ATOM 602 HA SER 36 18.363 -38.446 -13.520 1.00 70.22 ATOM 603 CB SER 36 19.610 -36.778 -14.020 1.00 44.11 ATOM 604 HB1 SER 36 19.492 -35.727 -14.242 1.00 37.92 ATOM 605 HB2 SER 36 20.017 -37.283 -14.884 1.00 5.11 ATOM 606 OG SER 36 20.523 -36.917 -12.942 1.00 45.55 ATOM 607 HG SER 36 21.365 -36.516 -13.185 1.00 42.13 ATOM 608 C SER 36 17.728 -36.754 -12.375 1.00 15.42 ATOM 609 O SER 36 17.323 -35.593 -12.354 1.00 72.10 ATOM 610 N GLU 37 17.746 -37.533 -11.298 1.00 13.20 ATOM 611 HN GLU 37 17.990 -38.478 -11.404 1.00 37.92 ATOM 612 CA GLU 37 17.400 -37.040 -9.961 1.00 74.34 ATOM 613 HA GLU 37 17.195 -35.979 -10.031 1.00 62.13 ATOM 614 CB GLU 37 16.142 -37.765 -9.452 1.00 32.11 ATOM 615 HB1 GLU 37 16.311 -38.831 -9.509 1.00 37.92 ATOM 616 HB2 GLU 37 15.315 -37.511 -10.101 1.00 73.12 ATOM 617 CG GLU 37 15.743 -37.421 -8.021 1.00 25.10 ATOM 618 HG1 GLU 37 15.582 -36.355 -7.953 1.00 37.92 ATOM 619 HG2 GLU 37 16.549 -37.703 -7.358 1.00 21.32 ATOM 620 CD GLU 37 14.473 -38.137 -7.581 1.00 73.32 ATOM 621 OE1 GLU 37 14.552 -39.315 -7.171 1.00 53.55 ATOM 622 OE2 GLU 37 13.383 -37.528 -7.647 1.00 43.34 ATOM 623 C GLU 37 18.579 -37.257 -8.998 1.00 1.34 ATOM 624 O GLU 37 18.774 -38.355 -8.474 1.00 64.20 ATOM 625 N THR 38 19.376 -36.208 -8.775 1.00 12.23 ATOM 626 HN THR 38 19.135 -35.334 -9.157 1.00 37.92 ATOM 627 CA THR 38 20.602 -36.327 -7.964 1.00 0.53 ATOM 628 HA THR 38 20.542 -37.251 -7.403 1.00 62.00 ATOM 629 CB THR 38 21.874 -36.388 -8.854 1.00 72.54 ATOM 630 HB THR 38 22.740 -36.463 -8.208 1.00 11.30 ATOM 631 OG1 THR 38 21.991 -35.194 -9.645 1.00 72.34 ATOM 632 HG1 THR 38 21.171 -35.052 -10.132 1.00 2.11 ATOM 633 CG2 THR 38 21.855 -37.604 -9.774 1.00 42.14 ATOM 634 HG21 THR 38 20.999 -37.546 -10.430 1.00 72.22 ATOM 635 HG22 THR 38 21.793 -38.504 -9.180 1.00 21.23 ATOM 636 HG23 THR 38 22.759 -37.625 -10.366 1.00 22.31 ATOM 637 C THR 38 20.760 -35.166 -6.972 1.00 34.52 ATOM 638 O THR 38 20.094 -34.136 -7.085 1.00 43.11 ATOM 639 N GLY 39 21.647 -35.345 -5.992 1.00 13.21 ATOM 640 HN GLY 39 22.123 -36.201 -5.928 1.00 37.92 ATOM 641 CA GLY 39 21.918 -34.294 -5.015 1.00 2.01 ATOM 642 HA1 GLY 39 21.067 -33.629 -4.971 1.00 37.92 ATOM 643 HA2 GLY 39 22.777 -33.729 -5.345 1.00 2.44 ATOM 644 C GLY 39 22.192 -34.829 -3.609 1.00 1.22 ATOM 645 O GLY 39 21.263 -35.125 -2.858 1.00 71.50 ATOM 646 N GLY 40 23.471 -34.959 -3.261 1.00 42.10 ATOM 647 HN GLY 40 24.164 -34.787 -3.932 1.00 37.92 ATOM 648 CA GLY 40 23.864 -35.368 -1.911 1.00 12.35 ATOM 649 HA1 GLY 40 24.197 -36.394 -1.940 1.00 37.92 ATOM 650 HA2 GLY 40 23.009 -35.296 -1.253 1.00 21.44 ATOM 651 C GLY 40 24.990 -34.498 -1.361 1.00 34.35 ATOM 652 O GLY 40 26.090 -34.483 -1.913 1.00 3.51 ATOM 653 N SER 41 24.713 -33.759 -0.280 1.00 0.42 ATOM 654 HN SER 41 23.842 -33.873 0.161 1.00 37.92 ATOM 655 CA SER 41 25.674 -32.785 0.280 1.00 51.10 ATOM 656 HA SER 41 25.192 -32.300 1.118 1.00 45.33 ATOM 657 CB SER 41 26.944 -33.494 0.779 1.00 72.22 ATOM 658 HB1 SER 41 27.628 -32.763 1.184 1.00 37.92 ATOM 659 HB2 SER 41 27.415 -34.008 -0.046 1.00 33.35 ATOM 660 OG SER 41 26.638 -34.444 1.791 1.00 62.35 ATOM 661 HG SER 41 26.656 -35.330 1.407 1.00 52.50 ATOM 662 C SER 41 26.035 -31.712 -0.761 1.00 10.31 ATOM 663 O SER 41 27.053 -31.027 -0.649 1.00 32.33 ATOM 664 N HIS 42 25.161 -31.563 -1.755 1.00 53.43 ATOM 665 HN HIS 42 24.337 -32.091 -1.729 1.00 37.92 ATOM 666 CA HIS 42 25.361 -30.643 -2.880 1.00 62.32 ATOM 667 HA HIS 42 25.958 -29.806 -2.542 1.00 15.42 ATOM 668 CB HIS 42 26.096 -31.386 -4.011 1.00 70.01 ATOM 669 HB1 HIS 42 25.434 -32.136 -4.422 1.00 37.92 ATOM 670 HB2 HIS 42 26.964 -31.878 -3.598 1.00 21.00 ATOM 671 CG HIS 42 26.565 -30.517 -5.142 1.00 35.00 ATOM 672 ND1 HIS 42 27.669 -29.699 -5.045 1.00 2.02 ATOM 673 HD1 HIS 42 28.238 -29.595 -4.250 1.00 20.33 ATOM 674 CD2 HIS 42 26.096 -30.359 -6.406 1.00 71.31 ATOM 675 HD2 HIS 42 25.238 -30.853 -6.840 1.00 20.12 ATOM 676 CE1 HIS 42 27.858 -29.077 -6.191 1.00 63.43 ATOM 677 HE1 HIS 42 28.649 -28.374 -6.405 1.00 42.11 ATOM 678 NE2 HIS 42 26.921 -29.458 -7.032 1.00 40.31 ATOM 679 HE2 HIS 42 26.916 -29.258 -7.993 1.00 37.92 ATOM 680 C HIS 42 23.993 -30.138 -3.365 1.00 51.04 ATOM 681 O HIS 42 22.967 -30.746 -3.046 1.00 53.21 ATOM 682 N ASP 43 23.959 -29.037 -4.117 1.00 42.34 ATOM 683 HN ASP 43 24.792 -28.558 -4.315 1.00 37.92 ATOM 684 CA ASP 43 22.689 -28.523 -4.644 1.00 52.21 ATOM 685 HA ASP 43 22.068 -28.291 -3.787 1.00 64.25 ATOM 686 CB ASP 43 22.903 -27.228 -5.448 1.00 0.23 ATOM 687 HB1 ASP 43 23.171 -26.433 -4.765 1.00 37.92 ATOM 688 HB2 ASP 43 21.978 -26.964 -5.942 1.00 1.13 ATOM 689 CG ASP 43 23.993 -27.343 -6.501 1.00 64.31 ATOM 690 OD1 ASP 43 25.186 -27.268 -6.134 1.00 2.42 ATOM 691 OD2 ASP 43 23.669 -27.475 -7.697 1.00 63.02 ATOM 692 C ASP 43 21.955 -29.591 -5.482 1.00 43.12 ATOM 693 O ASP 43 22.528 -30.197 -6.389 1.00 74.12 ATOM 694 N LYS 44 20.695 -29.839 -5.128 1.00 51.52 ATOM 695 HN LYS 44 20.303 -29.317 -4.402 1.00 37.92 ATOM 696 CA LYS 44 19.878 -30.869 -5.780 1.00 65.34 ATOM 697 HA LYS 44 20.379 -31.818 -5.646 1.00 35.41 ATOM 698 CB LYS 44 18.495 -30.945 -5.113 1.00 73.22 ATOM 699 HB1 LYS 44 17.898 -31.679 -5.634 1.00 37.92 ATOM 700 HB2 LYS 44 18.015 -29.980 -5.199 1.00 74.32 ATOM 701 CG LYS 44 18.536 -31.326 -3.631 1.00 34.15 ATOM 702 HG1 LYS 44 17.534 -31.262 -3.226 1.00 37.92 ATOM 703 HG2 LYS 44 19.177 -30.630 -3.109 1.00 21.34 ATOM 704 CD LYS 44 19.070 -32.742 -3.412 1.00 60.11 ATOM 705 HD1 LYS 44 19.228 -32.892 -2.353 1.00 37.92 ATOM 706 HD2 LYS 44 20.012 -32.845 -3.931 1.00 2.35 ATOM 707 CE LYS 44 18.111 -33.815 -3.924 1.00 21.21 ATOM 708 HE1 LYS 44 18.620 -34.768 -3.916 1.00 37.92 ATOM 709 HE2 LYS 44 17.822 -33.573 -4.936 1.00 54.53 ATOM 710 NZ LYS 44 16.888 -33.916 -3.084 1.00 11.34 ATOM 711 HZ1 LYS 44 16.252 -34.648 -3.461 1.00 42.14 ATOM 712 HZ2 LYS 44 16.383 -33.009 -3.069 1.00 74.11 ATOM 713 HZ3 LYS 44 17.146 -34.173 -2.107 1.00 4.30 ATOM 714 C LYS 44 19.713 -30.609 -7.285 1.00 54.24 ATOM 715 O LYS 44 19.110 -29.617 -7.693 1.00 3.31 ATOM 716 N ARG 45 20.247 -31.516 -8.102 1.00 34.51 ATOM 717 HN ARG 45 20.715 -32.284 -7.715 1.00 37.92 ATOM 718 CA ARG 45 20.152 -31.399 -9.561 1.00 34.13 ATOM 719 HA ARG 45 19.920 -30.367 -9.794 1.00 4.45 ATOM 720 CB ARG 45 21.494 -31.761 -10.219 1.00 55.43 ATOM 721 HB1 ARG 45 21.728 -32.791 -9.989 1.00 37.92 ATOM 722 HB2 ARG 45 22.267 -31.127 -9.806 1.00 73.23 ATOM 723 CG ARG 45 21.501 -31.593 -11.741 1.00 73.51 ATOM 724 HG1 ARG 45 21.259 -30.567 -11.981 1.00 37.92 ATOM 725 HG2 ARG 45 20.753 -32.246 -12.168 1.00 3.43 ATOM 726 CD ARG 45 22.858 -31.938 -12.351 1.00 44.10 ATOM 727 HD1 ARG 45 23.047 -32.991 -12.203 1.00 37.92 ATOM 728 HD2 ARG 45 23.621 -31.362 -11.848 1.00 40.15 ATOM 729 NE ARG 45 22.904 -31.646 -13.785 1.00 25.14 ATOM 730 HE ARG 45 22.188 -32.007 -14.346 1.00 54.14 ATOM 731 CZ ARG 45 23.830 -30.920 -14.357 1.00 73.21 ATOM 732 NH1 ARG 45 24.825 -30.452 -13.675 1.00 3.44 ATOM 733 HH11 ARG 45 24.899 -30.646 -12.700 1.00 51.55 ATOM 734 HH12 ARG 45 25.524 -29.901 -14.132 1.00 65.02 ATOM 735 NH2 ARG 45 23.763 -30.671 -15.622 1.00 32.41 ATOM 736 HH21 ARG 45 23.010 -31.038 -16.166 1.00 23.35 ATOM 737 HH22 ARG 45 24.460 -30.100 -16.053 1.00 54.35 ATOM 738 C ARG 45 19.034 -32.291 -10.125 1.00 74.21 ATOM 739 O ARG 45 19.201 -33.508 -10.269 1.00 63.34 ATOM 740 N PHE 46 17.890 -31.679 -10.420 1.00 45.33 ATOM 741 HN PHE 46 17.784 -30.732 -10.182 1.00 37.92 ATOM 742 CA PHE 46 16.780 -32.375 -11.082 1.00 10.10 ATOM 743 HA PHE 46 16.943 -33.440 -10.981 1.00 31.31 ATOM 744 CB PHE 46 15.444 -32.010 -10.423 1.00 62.03 ATOM 745 HB1 PHE 46 14.636 -32.430 -11.006 1.00 37.92 ATOM 746 HB2 PHE 46 15.342 -30.934 -10.404 1.00 32.22 ATOM 747 CG PHE 46 15.308 -32.514 -9.009 1.00 2.51 ATOM 748 CD1 PHE 46 14.671 -33.717 -8.749 1.00 65.12 ATOM 749 HD1 PHE 46 14.272 -34.292 -9.569 1.00 10.45 ATOM 750 CD2 PHE 46 15.817 -31.789 -7.945 1.00 1.51 ATOM 751 HD2 PHE 46 16.318 -30.851 -8.135 1.00 34.35 ATOM 752 CE1 PHE 46 14.542 -34.183 -7.457 1.00 1.04 ATOM 753 HE1 PHE 46 14.043 -35.121 -7.269 1.00 44.21 ATOM 754 CE2 PHE 46 15.690 -32.251 -6.650 1.00 74.22 ATOM 755 HE2 PHE 46 16.090 -31.675 -5.829 1.00 34.11 ATOM 756 CZ PHE 46 15.053 -33.450 -6.406 1.00 23.43 ATOM 757 HZ PHE 46 14.955 -33.814 -5.393 1.00 33.24 ATOM 758 C PHE 46 16.735 -32.021 -12.573 1.00 23.41 ATOM 759 O PHE 46 16.557 -30.858 -12.936 1.00 22.10 ATOM 760 N VAL 47 16.911 -33.023 -13.431 1.00 30.12 ATOM 761 HN VAL 47 17.062 -33.925 -13.082 1.00 37.92 ATOM 762 CA VAL 47 16.885 -32.816 -14.884 1.00 64.03 ATOM 763 HA VAL 47 16.847 -31.749 -15.071 1.00 43.30 ATOM 764 CB VAL 47 18.157 -33.383 -15.560 1.00 21.12 ATOM 765 HB VAL 47 18.142 -34.460 -15.457 1.00 13.55 ATOM 766 CG1 VAL 47 18.174 -33.053 -17.054 1.00 64.53 ATOM 767 HG11 VAL 47 18.177 -31.980 -17.188 1.00 1.33 ATOM 768 HG12 VAL 47 17.297 -33.471 -17.527 1.00 30.11 ATOM 769 HG13 VAL 47 19.060 -33.473 -17.509 1.00 65.51 ATOM 770 CG2 VAL 47 19.413 -32.859 -14.870 1.00 53.00 ATOM 771 HG21 VAL 47 19.464 -31.784 -14.977 1.00 52.55 ATOM 772 HG22 VAL 47 20.286 -33.306 -15.323 1.00 2.13 ATOM 773 HG23 VAL 47 19.383 -33.115 -13.821 1.00 21.32 ATOM 774 C VAL 47 15.649 -33.470 -15.514 1.00 62.34 ATOM 775 O VAL 47 15.522 -34.698 -15.528 1.00 71.45 ATOM 776 N MET 48 14.746 -32.645 -16.032 1.00 73.03 ATOM 777 HN MET 48 14.915 -31.677 -15.998 1.00 37.92 ATOM 778 CA MET 48 13.507 -33.128 -16.650 1.00 21.33 ATOM 779 HA MET 48 13.425 -34.190 -16.468 1.00 74.55 ATOM 780 CB MET 48 12.306 -32.414 -16.016 1.00 52.21 ATOM 781 HB1 MET 48 11.397 -32.841 -16.416 1.00 37.92 ATOM 782 HB2 MET 48 12.345 -31.367 -16.279 1.00 1.53 ATOM 783 CG MET 48 12.254 -32.523 -14.496 1.00 40.41 ATOM 784 HG1 MET 48 11.494 -31.849 -14.125 1.00 37.92 ATOM 785 HG2 MET 48 13.215 -32.231 -14.095 1.00 72.51 ATOM 786 SD MET 48 11.880 -34.192 -13.919 1.00 62.42 ATOM 787 CE MET 48 10.201 -34.398 -14.511 1.00 41.15 ATOM 788 HE1 MET 48 9.572 -33.624 -14.090 1.00 3.00 ATOM 789 HE2 MET 48 9.831 -35.365 -14.207 1.00 73.31 ATOM 790 HE3 MET 48 10.186 -34.328 -15.588 1.00 41.31 ATOM 791 C MET 48 13.512 -32.876 -18.166 1.00 42.23 ATOM 792 O MET 48 14.052 -31.871 -18.631 1.00 13.23 ATOM 793 N GLU 49 12.908 -33.784 -18.930 1.00 23.42 ATOM 794 HN GLU 49 12.537 -34.590 -18.511 1.00 37.92 ATOM 795 CA GLU 49 12.777 -33.610 -20.384 1.00 64.50 ATOM 796 HA GLU 49 13.260 -32.679 -20.651 1.00 45.55 ATOM 797 CB GLU 49 13.468 -34.760 -21.137 1.00 2.44 ATOM 798 HB1 GLU 49 12.988 -35.691 -20.870 1.00 37.92 ATOM 799 HB2 GLU 49 14.504 -34.801 -20.832 1.00 24.01 ATOM 800 CG GLU 49 13.422 -34.618 -22.660 1.00 73.42 ATOM 801 HG1 GLU 49 13.837 -33.656 -22.929 1.00 37.92 ATOM 802 HG2 GLU 49 12.390 -34.658 -22.980 1.00 22.52 ATOM 803 CD GLU 49 14.201 -35.704 -23.391 1.00 14.13 ATOM 804 OE1 GLU 49 15.430 -35.549 -23.567 1.00 70.13 ATOM 805 OE2 GLU 49 13.590 -36.708 -23.812 1.00 3.25 ATOM 806 C GLU 49 11.301 -33.533 -20.797 1.00 44.31 ATOM 807 O GLU 49 10.447 -34.206 -20.217 1.00 31.31 ATOM 808 N VAL 50 11.005 -32.703 -21.794 1.00 31.53 ATOM 809 HN VAL 50 11.723 -32.166 -22.191 1.00 37.92 ATOM 810 CA VAL 50 9.639 -32.566 -22.307 1.00 13.14 ATOM 811 HA VAL 50 9.052 -33.377 -21.896 1.00 32.22 ATOM 812 CB VAL 50 8.991 -31.232 -21.847 1.00 61.41 ATOM 813 HB VAL 50 8.964 -31.231 -20.765 1.00 23.10 ATOM 814 CG1 VAL 50 9.823 -30.030 -22.294 1.00 11.54 ATOM 815 HG11 VAL 50 9.354 -29.119 -21.951 1.00 2.35 ATOM 816 HG12 VAL 50 9.890 -30.015 -23.372 1.00 22.20 ATOM 817 HG13 VAL 50 10.817 -30.102 -21.874 1.00 1.04 ATOM 818 CG2 VAL 50 7.550 -31.125 -22.355 1.00 20.32 ATOM 819 HG21 VAL 50 7.117 -30.193 -22.021 1.00 3.44 ATOM 820 HG22 VAL 50 6.968 -31.950 -21.967 1.00 12.23 ATOM 821 HG23 VAL 50 7.542 -31.159 -23.435 1.00 32.12 ATOM 822 C VAL 50 9.592 -32.667 -23.843 1.00 1.03 ATOM 823 O VAL 50 10.311 -31.957 -24.551 1.00 12.12 ATOM 824 N GLU 51 8.760 -33.577 -24.351 1.00 10.12 ATOM 825 HN GLU 51 8.301 -34.192 -23.739 1.00 37.92 ATOM 826 CA GLU 51 8.527 -33.698 -25.795 1.00 54.20 ATOM 827 HA GLU 51 9.462 -33.482 -26.296 1.00 13.20 ATOM 828 CB GLU 51 8.094 -35.130 -26.153 1.00 63.44 ATOM 829 HB1 GLU 51 7.240 -35.399 -25.548 1.00 37.92 ATOM 830 HB2 GLU 51 8.907 -35.806 -25.927 1.00 12.13 ATOM 831 CG GLU 51 7.713 -35.313 -27.623 1.00 5.32 ATOM 832 HG1 GLU 51 8.542 -34.983 -28.237 1.00 37.92 ATOM 833 HG2 GLU 51 6.850 -34.700 -27.834 1.00 54.11 ATOM 834 CD GLU 51 7.380 -36.754 -27.985 1.00 42.24 ATOM 835 OE1 GLU 51 7.727 -37.189 -29.107 1.00 2.31 ATOM 836 OE2 GLU 51 6.777 -37.463 -27.153 1.00 64.35 ATOM 837 C GLU 51 7.470 -32.683 -26.268 1.00 42.31 ATOM 838 O GLU 51 6.271 -32.865 -26.047 1.00 23.11 ATOM 839 N VAL 52 7.932 -31.607 -26.899 1.00 30.53 ATOM 840 HN VAL 52 8.899 -31.510 -27.011 1.00 37.92 ATOM 841 CA VAL 52 7.053 -30.552 -27.414 1.00 33.25 ATOM 842 HA VAL 52 6.073 -30.683 -26.976 1.00 22.23 ATOM 843 CB VAL 52 7.580 -29.156 -27.011 1.00 21.13 ATOM 844 HB VAL 52 8.521 -28.993 -27.518 1.00 62.13 ATOM 845 CG1 VAL 52 6.610 -28.059 -27.447 1.00 11.33 ATOM 846 HG11 VAL 52 7.002 -27.094 -27.157 1.00 61.31 ATOM 847 HG12 VAL 52 5.651 -28.213 -26.973 1.00 2.34 ATOM 848 HG13 VAL 52 6.489 -28.090 -28.520 1.00 33.34 ATOM 849 CG2 VAL 52 7.838 -29.098 -25.508 1.00 63.42 ATOM 850 HG21 VAL 52 6.916 -29.277 -24.975 1.00 23.05 ATOM 851 HG22 VAL 52 8.221 -28.122 -25.245 1.00 42.33 ATOM 852 HG23 VAL 52 8.562 -29.852 -25.236 1.00 63.54 ATOM 853 C VAL 52 6.932 -30.619 -28.944 1.00 62.52 ATOM 854 O VAL 52 7.891 -30.331 -29.665 1.00 34.11 ATOM 855 N ASP 53 5.752 -31.015 -29.430 1.00 20.22 ATOM 856 HN ASP 53 5.043 -31.265 -28.801 1.00 37.92 ATOM 857 CA ASP 53 5.487 -31.114 -30.871 1.00 70.42 ATOM 858 HA ASP 53 4.480 -31.485 -30.990 1.00 61.05 ATOM 859 CB ASP 53 5.585 -29.718 -31.516 1.00 44.24 ATOM 860 HB1 ASP 53 6.625 -29.419 -31.553 1.00 37.92 ATOM 861 HB2 ASP 53 5.039 -29.010 -30.909 1.00 53.21 ATOM 862 CG ASP 53 5.018 -29.671 -32.926 1.00 55.34 ATOM 863 OD1 ASP 53 5.724 -29.209 -33.846 1.00 41.22 ATOM 864 OD2 ASP 53 3.858 -30.100 -33.122 1.00 70.14 ATOM 865 C ASP 53 6.458 -32.114 -31.536 1.00 71.34 ATOM 866 O ASP 53 6.761 -32.023 -32.726 1.00 44.44 ATOM 867 N GLY 54 6.912 -33.094 -30.752 1.00 65.25 ATOM 868 HN GLY 54 6.578 -33.157 -29.832 1.00 37.92 ATOM 869 CA GLY 54 7.871 -34.084 -31.243 1.00 51.43 ATOM 870 HA1 GLY 54 7.813 -34.125 -32.321 1.00 37.92 ATOM 871 HA2 GLY 54 7.596 -35.052 -30.846 1.00 70.14 ATOM 872 C GLY 54 9.316 -33.785 -30.840 1.00 13.44 ATOM 873 O GLY 54 10.150 -34.689 -30.784 1.00 72.01 ATOM 874 N GLN 55 9.608 -32.519 -30.544 1.00 25.21 ATOM 875 HN GLN 55 8.887 -31.856 -30.551 1.00 37.92 ATOM 876 CA GLN 55 10.970 -32.078 -30.202 1.00 3.55 ATOM 877 HA GLN 55 11.673 -32.743 -30.686 1.00 0.31 ATOM 878 CB GLN 55 11.189 -30.654 -30.728 1.00 2.44 ATOM 879 HB1 GLN 55 12.206 -30.353 -30.513 1.00 37.92 ATOM 880 HB2 GLN 55 10.511 -29.984 -30.214 1.00 14.11 ATOM 881 CG GLN 55 10.955 -30.513 -32.226 1.00 20.52 ATOM 882 HG1 GLN 55 10.021 -30.995 -32.482 1.00 37.92 ATOM 883 HG2 GLN 55 11.763 -31.002 -32.751 1.00 44.12 ATOM 884 CD GLN 55 10.893 -29.064 -32.675 1.00 21.22 ATOM 885 OE1 GLN 55 11.901 -28.461 -33.021 1.00 54.02 ATOM 886 NE2 GLN 55 9.706 -28.493 -32.665 1.00 32.32 ATOM 887 HE21 GLN 55 8.939 -29.026 -32.375 1.00 33.12 ATOM 888 HE22 GLN 55 9.640 -27.563 -32.959 1.00 44.33 ATOM 889 C GLN 55 11.209 -32.112 -28.684 1.00 54.53 ATOM 890 O GLN 55 10.451 -31.525 -27.917 1.00 32.25 ATOM 891 N LYS 56 12.275 -32.785 -28.253 1.00 41.42 ATOM 892 HN LYS 56 12.888 -33.179 -28.910 1.00 37.92 ATOM 893 CA LYS 56 12.565 -32.938 -26.818 1.00 61.14 ATOM 894 HA LYS 56 11.626 -32.853 -26.284 1.00 74.32 ATOM 895 CB LYS 56 13.167 -34.322 -26.522 1.00 33.14 ATOM 896 HB1 LYS 56 13.497 -34.341 -25.492 1.00 37.92 ATOM 897 HB2 LYS 56 14.026 -34.472 -27.162 1.00 41.22 ATOM 898 CG LYS 56 12.206 -35.493 -26.732 1.00 44.23 ATOM 899 HG1 LYS 56 11.273 -35.269 -26.237 1.00 37.92 ATOM 900 HG2 LYS 56 12.639 -36.380 -26.291 1.00 33.21 ATOM 901 CD LYS 56 11.929 -35.766 -28.207 1.00 42.51 ATOM 902 HD1 LYS 56 12.865 -35.965 -28.710 1.00 37.92 ATOM 903 HD2 LYS 56 11.464 -34.895 -28.646 1.00 20.52 ATOM 904 CE LYS 56 11.006 -36.963 -28.392 1.00 72.54 ATOM 905 HE1 LYS 56 10.081 -36.774 -27.867 1.00 37.92 ATOM 906 HE2 LYS 56 11.482 -37.838 -27.977 1.00 32.43 ATOM 907 NZ LYS 56 10.704 -37.215 -29.823 1.00 34.43 ATOM 908 HZ1 LYS 56 11.576 -37.449 -30.340 1.00 31.01 ATOM 909 HZ2 LYS 56 10.281 -36.371 -30.256 1.00 63.34 ATOM 910 HZ3 LYS 56 10.038 -38.009 -29.914 1.00 3.02 ATOM 911 C LYS 56 13.516 -31.847 -26.299 1.00 60.51 ATOM 912 O LYS 56 14.552 -31.565 -26.908 1.00 33.31 ATOM 913 N PHE 57 13.159 -31.243 -25.162 1.00 71.21 ATOM 914 HN PHE 57 12.297 -31.476 -24.753 1.00 37.92 ATOM 915 CA PHE 57 14.002 -30.230 -24.505 1.00 24.33 ATOM 916 HA PHE 57 14.968 -30.225 -24.994 1.00 5.05 ATOM 917 CB PHE 57 13.366 -28.838 -24.637 1.00 75.45 ATOM 918 HB1 PHE 57 13.973 -28.122 -24.100 1.00 37.92 ATOM 919 HB2 PHE 57 12.378 -28.858 -24.199 1.00 54.11 ATOM 920 CG PHE 57 13.233 -28.357 -26.064 1.00 63.32 ATOM 921 CD1 PHE 57 12.123 -28.695 -26.828 1.00 62.13 ATOM 922 HD1 PHE 57 11.350 -29.312 -26.395 1.00 24.13 ATOM 923 CD2 PHE 57 14.215 -27.563 -26.640 1.00 70.22 ATOM 924 HD2 PHE 57 15.085 -27.292 -26.058 1.00 34.22 ATOM 925 CE1 PHE 57 11.996 -28.252 -28.131 1.00 11.41 ATOM 926 HE1 PHE 57 11.126 -28.523 -28.712 1.00 44.42 ATOM 927 CE2 PHE 57 14.093 -27.117 -27.944 1.00 45.35 ATOM 928 HE2 PHE 57 14.866 -26.500 -28.380 1.00 13.02 ATOM 929 CZ PHE 57 12.982 -27.463 -28.689 1.00 72.43 ATOM 930 HZ PHE 57 12.886 -27.115 -29.708 1.00 44.41 ATOM 931 C PHE 57 14.208 -30.572 -23.017 1.00 72.10 ATOM 932 O PHE 57 13.282 -31.032 -22.345 1.00 74.11 ATOM 933 N GLN 58 15.424 -30.350 -22.508 1.00 64.11 ATOM 934 HN GLN 58 16.119 -29.965 -23.084 1.00 37.92 ATOM 935 CA GLN 58 15.750 -30.665 -21.106 1.00 55.54 ATOM 936 HA GLN 58 14.896 -31.177 -20.680 1.00 14.11 ATOM 937 CB GLN 58 16.964 -31.606 -21.029 1.00 64.04 ATOM 938 HB1 GLN 58 17.305 -31.654 -20.003 1.00 37.92 ATOM 939 HB2 GLN 58 17.758 -31.204 -21.642 1.00 13.33 ATOM 940 CG GLN 58 16.670 -33.022 -21.498 1.00 21.25 ATOM 941 HG1 GLN 58 16.377 -32.986 -22.535 1.00 37.92 ATOM 942 HG2 GLN 58 15.853 -33.419 -20.910 1.00 43.11 ATOM 943 CD GLN 58 17.861 -33.960 -21.361 1.00 34.31 ATOM 944 OE1 GLN 58 18.713 -33.788 -20.495 1.00 63.53 ATOM 945 NE2 GLN 58 17.913 -34.976 -22.199 1.00 53.41 ATOM 946 HE21 GLN 58 17.190 -35.072 -22.853 1.00 62.35 ATOM 947 HE22 GLN 58 18.667 -35.593 -22.128 1.00 51.11 ATOM 948 C GLN 58 16.023 -29.410 -20.263 1.00 75.32 ATOM 949 O GLN 58 16.579 -28.418 -20.741 1.00 2.44 ATOM 950 N GLY 59 15.638 -29.481 -18.991 1.00 2.53 ATOM 951 HN GLY 59 15.185 -30.296 -18.680 1.00 37.92 ATOM 952 CA GLY 59 15.875 -28.385 -18.056 1.00 12.14 ATOM 953 HA1 GLY 59 14.977 -27.789 -17.982 1.00 37.92 ATOM 954 HA2 GLY 59 16.675 -27.765 -18.437 1.00 31.31 ATOM 955 C GLY 59 16.254 -28.879 -16.662 1.00 2.03 ATOM 956 O GLY 59 15.671 -29.845 -16.160 1.00 52.03 ATOM 957 N ALA 60 17.229 -28.219 -16.035 1.00 14.12 ATOM 958 HN ALA 60 17.641 -27.446 -16.477 1.00 37.92 ATOM 959 CA ALA 60 17.713 -28.622 -14.708 1.00 43.14 ATOM 960 HA ALA 60 17.186 -29.522 -14.421 1.00 73.12 ATOM 961 CB ALA 60 19.202 -28.952 -14.774 1.00 22.40 ATOM 962 HB1 ALA 60 19.373 -29.703 -15.532 1.00 70.12 ATOM 963 HB2 ALA 60 19.532 -29.329 -13.816 1.00 4.10 ATOM 964 HB3 ALA 60 19.760 -28.059 -15.020 1.00 11.33 ATOM 965 C ALA 60 17.455 -27.541 -13.647 1.00 45.22 ATOM 966 O ALA 60 17.757 -26.362 -13.855 1.00 5.24 ATOM 967 N GLY 61 16.897 -27.957 -12.510 1.00 55.23 ATOM 968 HN GLY 61 16.666 -28.906 -12.415 1.00 37.92 ATOM 969 CA GLY 61 16.625 -27.031 -11.409 1.00 40.52 ATOM 970 HA1 GLY 61 15.625 -26.638 -11.528 1.00 37.92 ATOM 971 HA2 GLY 61 17.330 -26.212 -11.458 1.00 25.52 ATOM 972 C GLY 61 16.730 -27.688 -10.033 1.00 21.13 ATOM 973 O GLY 61 16.902 -28.904 -9.931 1.00 5.45 ATOM 974 N SER 62 16.614 -26.880 -8.973 1.00 32.43 ATOM 975 HN SER 62 16.469 -25.919 -9.123 1.00 37.92 ATOM 976 CA SER 62 16.729 -27.380 -7.586 1.00 0.12 ATOM 977 HA SER 62 17.665 -27.915 -7.510 1.00 22.21 ATOM 978 CB SER 62 16.750 -26.216 -6.586 1.00 41.40 ATOM 979 HB1 SER 62 15.844 -25.635 -6.691 1.00 37.92 ATOM 980 HB2 SER 62 17.603 -25.587 -6.787 1.00 5.05 ATOM 981 OG SER 62 16.839 -26.686 -5.246 1.00 31.43 ATOM 982 HG SER 62 17.157 -27.597 -5.244 1.00 35.13 ATOM 983 C SER 62 15.592 -28.343 -7.214 1.00 3.23 ATOM 984 O SER 62 15.701 -29.106 -6.253 1.00 35.44 ATOM 985 N ASN 63 14.495 -28.286 -7.961 1.00 62.55 ATOM 986 HN ASN 63 14.448 -27.621 -8.679 1.00 37.92 ATOM 987 CA ASN 63 13.357 -29.190 -7.756 1.00 4.54 ATOM 988 HA ASN 63 13.742 -30.114 -7.345 1.00 53.23 ATOM 989 CB ASN 63 12.353 -28.586 -6.763 1.00 20.34 ATOM 990 HB1 ASN 63 12.821 -28.513 -5.791 1.00 37.92 ATOM 991 HB2 ASN 63 11.490 -29.232 -6.691 1.00 61.00 ATOM 992 CG ASN 63 11.882 -27.204 -7.174 1.00 32.35 ATOM 993 OD1 ASN 63 10.950 -27.060 -7.958 1.00 23.22 ATOM 994 ND2 ASN 63 12.508 -26.177 -6.635 1.00 15.30 ATOM 995 HD21 ASN 63 13.237 -26.354 -6.006 1.00 33.23 ATOM 996 HD22 ASN 63 12.206 -25.277 -6.875 1.00 3.23 ATOM 997 C ASN 63 12.670 -29.506 -9.090 1.00 33.13 ATOM 998 O ASN 63 12.842 -28.778 -10.069 1.00 3.24 ATOM 999 N LYS 64 11.884 -30.586 -9.123 1.00 60.12 ATOM 1000 HN LYS 64 11.741 -31.093 -8.297 1.00 37.92 ATOM 1001 CA LYS 64 11.233 -31.043 -10.362 1.00 23.32 ATOM 1002 HA LYS 64 12.019 -31.299 -11.059 1.00 31.53 ATOM 1003 CB LYS 64 10.389 -32.300 -10.098 1.00 3.52 ATOM 1004 HB1 LYS 64 9.886 -32.582 -11.014 1.00 37.92 ATOM 1005 HB2 LYS 64 9.645 -32.071 -9.347 1.00 62.31 ATOM 1006 CG LYS 64 11.205 -33.495 -9.615 1.00 35.14 ATOM 1007 HG1 LYS 64 11.666 -33.243 -8.669 1.00 37.92 ATOM 1008 HG2 LYS 64 11.976 -33.709 -10.342 1.00 24.11 ATOM 1009 CD LYS 64 10.345 -34.745 -9.428 1.00 32.32 ATOM 1010 HD1 LYS 64 9.556 -34.525 -8.723 1.00 37.92 ATOM 1011 HD2 LYS 64 10.964 -35.539 -9.037 1.00 3.52 ATOM 1012 CE LYS 64 9.719 -35.216 -10.738 1.00 34.14 ATOM 1013 HE1 LYS 64 10.500 -35.342 -11.473 1.00 37.92 ATOM 1014 HE2 LYS 64 9.022 -34.465 -11.081 1.00 31.01 ATOM 1015 NZ LYS 64 8.995 -36.506 -10.576 1.00 4.33 ATOM 1016 HZ1 LYS 64 8.590 -36.807 -11.487 1.00 44.30 ATOM 1017 HZ2 LYS 64 8.223 -36.403 -9.887 1.00 61.32 ATOM 1018 HZ3 LYS 64 9.647 -37.242 -10.237 1.00 20.43 ATOM 1019 C LYS 64 10.360 -29.952 -11.004 1.00 44.10 ATOM 1020 O LYS 64 10.266 -29.870 -12.227 1.00 62.22 ATOM 1021 N LYS 65 9.730 -29.119 -10.182 1.00 63.12 ATOM 1022 HN LYS 65 9.831 -29.235 -9.214 1.00 37.92 ATOM 1023 CA LYS 65 8.881 -28.031 -10.687 1.00 24.35 ATOM 1024 HA LYS 65 8.144 -28.471 -11.346 1.00 42.43 ATOM 1025 CB LYS 65 8.154 -27.343 -9.523 1.00 73.14 ATOM 1026 HB1 LYS 65 7.535 -26.551 -9.919 1.00 37.92 ATOM 1027 HB2 LYS 65 8.891 -26.913 -8.859 1.00 20.01 ATOM 1028 CG LYS 65 7.265 -28.285 -8.710 1.00 22.41 ATOM 1029 HG1 LYS 65 6.823 -27.732 -7.892 1.00 37.92 ATOM 1030 HG2 LYS 65 7.874 -29.086 -8.313 1.00 43.52 ATOM 1031 CD LYS 65 6.148 -28.893 -9.560 1.00 45.30 ATOM 1032 HD1 LYS 65 5.595 -29.601 -8.959 1.00 37.92 ATOM 1033 HD2 LYS 65 6.589 -29.405 -10.402 1.00 23.04 ATOM 1034 CE LYS 65 5.187 -27.830 -10.081 1.00 44.21 ATOM 1035 HE1 LYS 65 4.429 -28.311 -10.682 1.00 37.92 ATOM 1036 HE2 LYS 65 5.737 -27.130 -10.693 1.00 15.44 ATOM 1037 NZ LYS 65 4.526 -27.085 -8.976 1.00 34.51 ATOM 1038 HZ1 LYS 65 3.903 -27.721 -8.437 1.00 31.32 ATOM 1039 HZ2 LYS 65 3.958 -26.306 -9.360 1.00 54.44 ATOM 1040 HZ3 LYS 65 5.239 -26.689 -8.331 1.00 1.41 ATOM 1041 C LYS 65 9.702 -27.002 -11.485 1.00 5.55 ATOM 1042 O LYS 65 9.394 -26.707 -12.640 1.00 31.33 ATOM 1043 N VAL 66 10.754 -26.470 -10.860 1.00 54.21 ATOM 1044 HN VAL 66 10.925 -26.717 -9.926 1.00 37.92 ATOM 1045 CA VAL 66 11.655 -25.516 -11.525 1.00 14.43 ATOM 1046 HA VAL 66 11.047 -24.709 -11.915 1.00 13.20 ATOM 1047 CB VAL 66 12.672 -24.914 -10.518 1.00 4.10 ATOM 1048 HB VAL 66 13.231 -25.725 -10.071 1.00 51.31 ATOM 1049 CG1 VAL 66 13.663 -23.986 -11.217 1.00 12.32 ATOM 1050 HG11 VAL 66 14.199 -24.536 -11.978 1.00 51.13 ATOM 1051 HG12 VAL 66 14.368 -23.598 -10.494 1.00 4.13 ATOM 1052 HG13 VAL 66 13.130 -23.164 -11.674 1.00 53.43 ATOM 1053 CG2 VAL 66 11.940 -24.171 -9.403 1.00 24.30 ATOM 1054 HG21 VAL 66 11.267 -24.849 -8.897 1.00 44.30 ATOM 1055 HG22 VAL 66 11.375 -23.351 -9.824 1.00 23.30 ATOM 1056 HG23 VAL 66 12.659 -23.784 -8.696 1.00 14.23 ATOM 1057 C VAL 66 12.406 -26.174 -12.698 1.00 3.14 ATOM 1058 O VAL 66 12.684 -25.532 -13.712 1.00 61.14 ATOM 1059 N ALA 67 12.718 -27.459 -12.557 1.00 3.11 ATOM 1060 HN ALA 67 12.518 -27.906 -11.709 1.00 37.92 ATOM 1061 CA ALA 67 13.360 -28.224 -13.630 1.00 24.54 ATOM 1062 HA ALA 67 14.274 -27.713 -13.903 1.00 13.23 ATOM 1063 CB ALA 67 13.726 -29.614 -13.133 1.00 24.14 ATOM 1064 HB1 ALA 67 12.824 -30.161 -12.899 1.00 4.11 ATOM 1065 HB2 ALA 67 14.336 -29.532 -12.244 1.00 62.33 ATOM 1066 HB3 ALA 67 14.277 -30.139 -13.900 1.00 43.30 ATOM 1067 C ALA 67 12.452 -28.316 -14.867 1.00 34.31 ATOM 1068 O ALA 67 12.878 -28.037 -15.989 1.00 33.23 ATOM 1069 N LYS 68 11.195 -28.707 -14.648 1.00 60.33 ATOM 1070 HN LYS 68 10.936 -28.988 -13.746 1.00 37.92 ATOM 1071 CA LYS 68 10.188 -28.729 -15.717 1.00 11.13 ATOM 1072 HA LYS 68 10.560 -29.362 -16.510 1.00 20.22 ATOM 1073 CB LYS 68 8.867 -29.308 -15.191 1.00 24.13 ATOM 1074 HB1 LYS 68 8.096 -29.148 -15.932 1.00 37.92 ATOM 1075 HB2 LYS 68 8.596 -28.784 -14.286 1.00 0.02 ATOM 1076 CG LYS 68 8.924 -30.799 -14.876 1.00 30.25 ATOM 1077 HG1 LYS 68 9.782 -30.990 -14.244 1.00 37.92 ATOM 1078 HG2 LYS 68 9.033 -31.349 -15.802 1.00 54.34 ATOM 1079 CD LYS 68 7.663 -31.284 -14.160 1.00 54.30 ATOM 1080 HD1 LYS 68 7.574 -30.758 -13.218 1.00 37.92 ATOM 1081 HD2 LYS 68 7.756 -32.343 -13.968 1.00 71.34 ATOM 1082 CE LYS 68 6.397 -31.045 -14.982 1.00 10.23 ATOM 1083 HE1 LYS 68 6.500 -31.547 -15.934 1.00 37.92 ATOM 1084 HE2 LYS 68 6.281 -29.983 -15.149 1.00 13.21 ATOM 1085 NZ LYS 68 5.182 -31.559 -14.295 1.00 71.12 ATOM 1086 HZ1 LYS 68 4.336 -31.353 -14.863 1.00 61.30 ATOM 1087 HZ2 LYS 68 5.075 -31.108 -13.363 1.00 72.14 ATOM 1088 HZ3 LYS 68 5.253 -32.590 -14.164 1.00 63.01 ATOM 1089 C LYS 68 9.951 -27.320 -16.280 1.00 62.23 ATOM 1090 O LYS 68 9.633 -27.155 -17.457 1.00 54.34 ATOM 1091 N ALA 69 10.104 -26.314 -15.421 1.00 74.41 ATOM 1092 HN ALA 69 10.292 -26.519 -14.481 1.00 37.92 ATOM 1093 CA ALA 69 9.986 -24.914 -15.832 1.00 33.33 ATOM 1094 HA ALA 69 9.010 -24.781 -16.280 1.00 70.33 ATOM 1095 CB ALA 69 10.074 -23.996 -14.615 1.00 74.41 ATOM 1096 HB1 ALA 69 9.299 -24.259 -13.909 1.00 70.12 ATOM 1097 HB2 ALA 69 9.944 -22.970 -14.925 1.00 22.41 ATOM 1098 HB3 ALA 69 11.041 -24.109 -14.145 1.00 72.01 ATOM 1099 C ALA 69 11.059 -24.539 -16.866 1.00 11.54 ATOM 1100 O ALA 69 10.745 -23.994 -17.924 1.00 24.24 ATOM 1101 N TYR 70 12.324 -24.838 -16.559 1.00 4.43 ATOM 1102 HN TYR 70 12.523 -25.236 -15.683 1.00 37.92 ATOM 1103 CA TYR 70 13.423 -24.583 -17.501 1.00 14.23 ATOM 1104 HA TYR 70 13.348 -23.548 -17.804 1.00 60.02 ATOM 1105 CB TYR 70 14.790 -24.793 -16.830 1.00 50.55 ATOM 1106 HB1 TYR 70 15.554 -24.866 -17.592 1.00 37.92 ATOM 1107 HB2 TYR 70 14.768 -25.713 -16.263 1.00 32.20 ATOM 1108 CG TYR 70 15.178 -23.665 -15.887 1.00 72.02 ATOM 1109 CD1 TYR 70 15.352 -23.885 -14.524 1.00 62.31 ATOM 1110 HD1 TYR 70 15.212 -24.882 -14.128 1.00 71.13 ATOM 1111 CD2 TYR 70 15.365 -22.371 -16.369 1.00 55.34 ATOM 1112 HD2 TYR 70 15.236 -22.179 -17.424 1.00 70.04 ATOM 1113 CE1 TYR 70 15.692 -22.848 -13.672 1.00 41.34 ATOM 1114 HE1 TYR 70 15.824 -23.039 -12.615 1.00 33.32 ATOM 1115 CE2 TYR 70 15.709 -21.336 -15.523 1.00 4.12 ATOM 1116 HE2 TYR 70 15.848 -20.340 -15.918 1.00 22.52 ATOM 1117 CZ TYR 70 15.872 -21.578 -14.177 1.00 12.23 ATOM 1118 OH TYR 70 16.198 -20.540 -13.330 1.00 21.41 ATOM 1119 HH TYR 70 15.561 -19.823 -13.445 1.00 23.44 ATOM 1120 C TYR 70 13.304 -25.455 -18.759 1.00 74.34 ATOM 1121 O TYR 70 13.620 -25.008 -19.861 1.00 22.15 ATOM 1122 N ALA 71 12.841 -26.695 -18.594 1.00 12.05 ATOM 1123 HN ALA 71 12.665 -27.023 -17.685 1.00 37.92 ATOM 1124 CA ALA 71 12.596 -27.584 -19.738 1.00 22.10 ATOM 1125 HA ALA 71 13.531 -27.705 -20.271 1.00 62.22 ATOM 1126 CB ALA 71 12.144 -28.958 -19.254 1.00 4.15 ATOM 1127 HB1 ALA 71 12.049 -29.625 -20.099 1.00 41.30 ATOM 1128 HB2 ALA 71 11.190 -28.870 -18.755 1.00 32.04 ATOM 1129 HB3 ALA 71 12.875 -29.355 -18.563 1.00 54.24 ATOM 1130 C ALA 71 11.552 -26.979 -20.691 1.00 5.43 ATOM 1131 O ALA 71 11.769 -26.887 -21.901 1.00 13.35 ATOM 1132 N ALA 72 10.420 -26.559 -20.126 1.00 61.10 ATOM 1133 HN ALA 72 10.278 -26.725 -19.171 1.00 37.92 ATOM 1134 CA ALA 72 9.375 -25.875 -20.889 1.00 22.42 ATOM 1135 HA ALA 72 9.046 -26.545 -21.674 1.00 63.14 ATOM 1136 CB ALA 72 8.179 -25.581 -19.990 1.00 63.33 ATOM 1137 HB1 ALA 72 7.385 -25.141 -20.577 1.00 53.20 ATOM 1138 HB2 ALA 72 8.473 -24.894 -19.210 1.00 45.20 ATOM 1139 HB3 ALA 72 7.826 -26.500 -19.545 1.00 42.41 ATOM 1140 C ALA 72 9.899 -24.577 -21.529 1.00 15.54 ATOM 1141 O ALA 72 9.660 -24.319 -22.707 1.00 0.04 ATOM 1142 N LEU 73 10.621 -23.767 -20.747 1.00 73.10 ATOM 1143 HN LEU 73 10.759 -24.014 -19.806 1.00 37.92 ATOM 1144 CA LEU 73 11.217 -22.519 -21.254 1.00 23.34 ATOM 1145 HA LEU 73 10.406 -21.888 -21.596 1.00 44.30 ATOM 1146 CB LEU 73 11.972 -21.782 -20.135 1.00 11.34 ATOM 1147 HB1 LEU 73 12.650 -21.071 -20.589 1.00 37.92 ATOM 1148 HB2 LEU 73 12.557 -22.510 -19.588 1.00 2.35 ATOM 1149 CG LEU 73 11.090 -21.028 -19.129 1.00 42.01 ATOM 1150 HG LEU 73 10.403 -21.727 -18.672 1.00 42.43 ATOM 1151 CD1 LEU 73 11.938 -20.417 -18.017 1.00 75.02 ATOM 1152 HD11 LEU 73 11.299 -19.887 -17.326 1.00 33.23 ATOM 1153 HD12 LEU 73 12.657 -19.730 -18.441 1.00 62.24 ATOM 1154 HD13 LEU 73 12.461 -21.203 -17.489 1.00 12.50 ATOM 1155 CD2 LEU 73 10.265 -19.952 -19.837 1.00 13.12 ATOM 1156 HD21 LEU 73 9.624 -20.417 -20.573 1.00 55.42 ATOM 1157 HD22 LEU 73 10.924 -19.249 -20.328 1.00 12.43 ATOM 1158 HD23 LEU 73 9.658 -19.430 -19.112 1.00 72.32 ATOM 1159 C LEU 73 12.162 -22.775 -22.436 1.00 2.41 ATOM 1160 O LEU 73 12.180 -22.010 -23.403 1.00 73.52 ATOM 1161 N ALA 74 12.947 -23.849 -22.351 1.00 73.32 ATOM 1162 HN ALA 74 12.920 -24.396 -21.533 1.00 37.92 ATOM 1163 CA ALA 74 13.852 -24.237 -23.438 1.00 3.51 ATOM 1164 HA ALA 74 14.573 -23.441 -23.569 1.00 22.34 ATOM 1165 CB ALA 74 14.611 -25.507 -23.066 1.00 42.12 ATOM 1166 HB1 ALA 74 15.119 -25.359 -22.124 1.00 12.24 ATOM 1167 HB2 ALA 74 15.337 -25.733 -23.833 1.00 3.20 ATOM 1168 HB3 ALA 74 13.917 -26.331 -22.973 1.00 70.53 ATOM 1169 C ALA 74 13.085 -24.432 -24.755 1.00 23.22 ATOM 1170 O ALA 74 13.571 -24.080 -25.832 1.00 35.03 ATOM 1171 N ALA 75 11.878 -24.985 -24.651 1.00 55.14 ATOM 1172 HN ALA 75 11.567 -25.279 -23.767 1.00 37.92 ATOM 1173 CA ALA 75 11.004 -25.178 -25.811 1.00 43.24 ATOM 1174 HA ALA 75 11.612 -25.523 -26.637 1.00 3.13 ATOM 1175 CB ALA 75 9.970 -26.253 -25.506 1.00 60.11 ATOM 1176 HB1 ALA 75 10.470 -27.171 -25.232 1.00 75.54 ATOM 1177 HB2 ALA 75 9.361 -26.425 -26.382 1.00 2.54 ATOM 1178 HB3 ALA 75 9.340 -25.929 -24.689 1.00 65.10 ATOM 1179 C ALA 75 10.300 -23.874 -26.218 1.00 14.20 ATOM 1180 O ALA 75 10.221 -23.542 -27.400 1.00 71.01 ATOM 1181 N LEU 76 9.796 -23.138 -25.229 1.00 51.15 ATOM 1182 HN LEU 76 9.929 -23.434 -24.306 1.00 37.92 ATOM 1183 CA LEU 76 9.048 -21.899 -25.475 1.00 3.24 ATOM 1184 HA LEU 76 8.213 -22.147 -26.118 1.00 53.22 ATOM 1185 CB LEU 76 8.497 -21.350 -24.153 1.00 4.10 ATOM 1186 HB1 LEU 76 8.098 -20.361 -24.333 1.00 37.92 ATOM 1187 HB2 LEU 76 9.317 -21.267 -23.453 1.00 34.43 ATOM 1188 CG LEU 76 7.394 -22.202 -23.507 1.00 75.12 ATOM 1189 HG LEU 76 7.755 -23.214 -23.386 1.00 54.03 ATOM 1190 CD1 LEU 76 7.038 -21.666 -22.125 1.00 11.01 ATOM 1191 HD11 LEU 76 6.652 -20.661 -22.214 1.00 10.52 ATOM 1192 HD12 LEU 76 7.921 -21.658 -21.501 1.00 43.43 ATOM 1193 HD13 LEU 76 6.289 -22.302 -21.675 1.00 65.21 ATOM 1194 CD2 LEU 76 6.158 -22.245 -24.403 1.00 20.14 ATOM 1195 HD21 LEU 76 5.395 -22.853 -23.938 1.00 21.13 ATOM 1196 HD22 LEU 76 6.421 -22.672 -25.359 1.00 13.23 ATOM 1197 HD23 LEU 76 5.780 -21.242 -24.549 1.00 32.31 ATOM 1198 C LEU 76 9.900 -20.831 -26.177 1.00 2.24 ATOM 1199 O LEU 76 9.561 -20.381 -27.264 1.00 55.31 ATOM 1200 N GLU 77 11.013 -20.445 -25.563 1.00 72.52 ATOM 1201 HN GLU 77 11.268 -20.879 -24.720 1.00 37.92 ATOM 1202 CA GLU 77 11.868 -19.381 -26.111 1.00 55.31 ATOM 1203 HA GLU 77 11.239 -18.520 -26.285 1.00 11.24 ATOM 1204 CB GLU 77 12.955 -18.995 -25.093 1.00 41.30 ATOM 1205 HB1 GLU 77 13.526 -18.170 -25.493 1.00 37.92 ATOM 1206 HB2 GLU 77 13.616 -19.840 -24.956 1.00 40.15 ATOM 1207 CG GLU 77 12.418 -18.583 -23.718 1.00 64.30 ATOM 1208 HG1 GLU 77 13.258 -18.345 -23.079 1.00 37.92 ATOM 1209 HG2 GLU 77 11.881 -19.420 -23.296 1.00 30.01 ATOM 1210 CD GLU 77 11.483 -17.377 -23.759 1.00 20.11 ATOM 1211 OE1 GLU 77 11.902 -16.303 -24.241 1.00 13.34 ATOM 1212 OE2 GLU 77 10.338 -17.481 -23.269 1.00 75.22 ATOM 1213 C GLU 77 12.518 -19.786 -27.455 1.00 30.12 ATOM 1214 O GLU 77 13.068 -18.944 -28.167 1.00 21.31 ATOM 1215 N LYS 78 12.461 -21.079 -27.790 1.00 30.11 ATOM 1216 HN LYS 78 12.017 -21.705 -27.182 1.00 37.92 ATOM 1217 CA LYS 78 13.046 -21.589 -29.045 1.00 21.42 ATOM 1218 HA LYS 78 13.813 -20.896 -29.362 1.00 40.24 ATOM 1219 CB LYS 78 13.693 -22.970 -28.792 1.00 74.11 ATOM 1220 HB1 LYS 78 12.905 -23.701 -28.673 1.00 37.92 ATOM 1221 HB2 LYS 78 14.255 -22.920 -27.870 1.00 71.24 ATOM 1222 CG LYS 78 14.643 -23.467 -29.894 1.00 32.51 ATOM 1223 HG1 LYS 78 15.252 -24.266 -29.491 1.00 37.92 ATOM 1224 HG2 LYS 78 15.282 -22.651 -30.193 1.00 62.02 ATOM 1225 CD LYS 78 13.908 -23.985 -31.132 1.00 44.43 ATOM 1226 HD1 LYS 78 13.356 -23.168 -31.576 1.00 37.92 ATOM 1227 HD2 LYS 78 13.220 -24.761 -30.831 1.00 51.55 ATOM 1228 CE LYS 78 14.868 -24.556 -32.175 1.00 21.32 ATOM 1229 HE1 LYS 78 14.290 -24.941 -33.002 1.00 37.92 ATOM 1230 HE2 LYS 78 15.430 -25.363 -31.725 1.00 14.04 ATOM 1231 NZ LYS 78 15.822 -23.534 -32.685 1.00 25.52 ATOM 1232 HZ1 LYS 78 16.506 -23.974 -33.334 1.00 3.13 ATOM 1233 HZ2 LYS 78 16.344 -23.100 -31.897 1.00 5.05 ATOM 1234 HZ3 LYS 78 15.314 -22.785 -33.195 1.00 73.22 ATOM 1235 C LYS 78 11.980 -21.688 -30.153 1.00 53.44 ATOM 1236 O LYS 78 12.152 -21.151 -31.248 1.00 3.11 ATOM 1237 N LEU 79 10.883 -22.382 -29.860 1.00 62.00 ATOM 1238 HN LEU 79 10.787 -22.759 -28.960 1.00 37.92 ATOM 1239 CA LEU 79 9.811 -22.602 -30.840 1.00 2.45 ATOM 1240 HA LEU 79 10.270 -22.746 -31.807 1.00 42.11 ATOM 1241 CB LEU 79 9.017 -23.863 -30.473 1.00 14.01 ATOM 1242 HB1 LEU 79 8.263 -24.023 -31.233 1.00 37.92 ATOM 1243 HB2 LEU 79 8.517 -23.685 -29.530 1.00 44.43 ATOM 1244 CG LEU 79 9.850 -25.150 -30.344 1.00 52.23 ATOM 1245 HG LEU 79 10.574 -25.021 -29.550 1.00 24.44 ATOM 1246 CD1 LEU 79 8.963 -26.337 -29.975 1.00 63.34 ATOM 1247 HD11 LEU 79 9.571 -27.225 -29.878 1.00 45.45 ATOM 1248 HD12 LEU 79 8.224 -26.491 -30.748 1.00 63.04 ATOM 1249 HD13 LEU 79 8.466 -26.138 -29.037 1.00 20.21 ATOM 1250 CD2 LEU 79 10.616 -25.431 -31.634 1.00 33.52 ATOM 1251 HD21 LEU 79 11.189 -26.341 -31.523 1.00 15.52 ATOM 1252 HD22 LEU 79 11.286 -24.610 -31.841 1.00 22.43 ATOM 1253 HD23 LEU 79 9.918 -25.543 -32.452 1.00 60.04 ATOM 1254 C LEU 79 8.866 -21.394 -30.924 1.00 41.24 ATOM 1255 O LEU 79 8.239 -21.152 -31.957 1.00 52.44 ATOM 1256 N PHE 80 8.770 -20.644 -29.830 1.00 30.21 ATOM 1257 HN PHE 80 9.284 -20.900 -29.037 1.00 37.92 ATOM 1258 CA PHE 80 7.927 -19.441 -29.767 1.00 24.32 ATOM 1259 HA PHE 80 7.611 -19.194 -30.772 1.00 12.42 ATOM 1260 CB PHE 80 6.684 -19.711 -28.896 1.00 32.21 ATOM 1261 HB1 PHE 80 5.992 -18.887 -29.003 1.00 37.92 ATOM 1262 HB2 PHE 80 6.987 -19.783 -27.861 1.00 74.55 ATOM 1263 CG PHE 80 5.953 -20.986 -29.257 1.00 52.42 ATOM 1264 CD1 PHE 80 5.120 -21.035 -30.367 1.00 32.22 ATOM 1265 HD1 PHE 80 4.988 -20.150 -30.973 1.00 63.12 ATOM 1266 CD2 PHE 80 6.110 -22.137 -28.492 1.00 41.41 ATOM 1267 HD2 PHE 80 6.753 -22.115 -27.623 1.00 64.05 ATOM 1268 CE1 PHE 80 4.461 -22.203 -30.706 1.00 13.11 ATOM 1269 HE1 PHE 80 3.815 -22.226 -31.572 1.00 62.04 ATOM 1270 CE2 PHE 80 5.449 -23.306 -28.828 1.00 54.32 ATOM 1271 HE2 PHE 80 5.578 -24.193 -28.225 1.00 54.23 ATOM 1272 CZ PHE 80 4.625 -23.338 -29.936 1.00 30.13 ATOM 1273 HZ PHE 80 4.110 -24.250 -30.201 1.00 73.31 ATOM 1274 C PHE 80 8.730 -18.254 -29.196 1.00 22.34 ATOM 1275 O PHE 80 8.450 -17.775 -28.092 1.00 71.12 ATOM 1276 N PRO 81 9.748 -17.772 -29.943 1.00 4.43 ATOM 1277 CA PRO 81 10.680 -16.731 -29.457 1.00 51.01 ATOM 1278 HA PRO 81 11.324 -17.120 -28.678 1.00 14.31 ATOM 1279 CB PRO 81 11.527 -16.408 -30.697 1.00 62.43 ATOM 1280 HB1 PRO 81 12.545 -16.196 -30.399 1.00 37.92 ATOM 1281 HB2 PRO 81 11.113 -15.549 -31.209 1.00 22.32 ATOM 1282 CG PRO 81 11.451 -17.636 -31.539 1.00 51.20 ATOM 1283 HG1 PRO 81 12.202 -18.346 -31.222 1.00 37.92 ATOM 1284 HG2 PRO 81 11.594 -17.381 -32.580 1.00 43.21 ATOM 1285 CD PRO 81 10.075 -18.201 -31.319 1.00 60.44 ATOM 1286 HD1 PRO 81 10.095 -19.279 -31.393 1.00 37.92 ATOM 1287 HD2 PRO 81 9.375 -17.789 -32.031 1.00 23.41 ATOM 1288 C PRO 81 9.986 -15.458 -28.945 1.00 73.13 ATOM 1289 O PRO 81 10.438 -14.851 -27.971 1.00 23.03 ATOM 1290 N ASP 82 8.910 -15.055 -29.630 1.00 41.51 ATOM 1291 HN ASP 82 8.613 -15.602 -30.390 1.00 37.92 ATOM 1292 CA ASP 82 8.159 -13.827 -29.311 1.00 50.42 ATOM 1293 HA ASP 82 7.240 -13.871 -29.867 1.00 3.05 ATOM 1294 CB ASP 82 7.821 -13.755 -27.810 1.00 44.50 ATOM 1295 HB1 ASP 82 8.737 -13.642 -27.245 1.00 37.92 ATOM 1296 HB2 ASP 82 7.339 -14.677 -27.514 1.00 10.35 ATOM 1297 CG ASP 82 6.894 -12.600 -27.470 1.00 34.41 ATOM 1298 OD1 ASP 82 7.370 -11.583 -26.926 1.00 74.01 ATOM 1299 OD2 ASP 82 5.679 -12.706 -27.746 1.00 21.24 ATOM 1300 C ASP 82 8.930 -12.576 -29.771 1.00 14.44 ATOM 1301 O ASP 82 8.371 -11.680 -30.410 1.00 5.14 ATOM 1302 N THR 83 10.213 -12.526 -29.437 1.00 63.13 ATOM 1303 HN THR 83 10.561 -13.207 -28.829 1.00 37.92 ATOM 1304 CA THR 83 11.118 -11.484 -29.938 1.00 63.42 ATOM 1305 HA THR 83 10.550 -10.570 -30.051 1.00 51.42 ATOM 1306 CB THR 83 12.283 -11.214 -28.949 1.00 3.42 ATOM 1307 HB THR 83 12.928 -10.458 -29.379 1.00 65.40 ATOM 1308 OG1 THR 83 13.052 -12.413 -28.737 1.00 61.42 ATOM 1309 HG1 THR 83 13.155 -12.881 -29.576 1.00 1.41 ATOM 1310 CG2 THR 83 11.761 -10.698 -27.611 1.00 21.22 ATOM 1311 HG21 THR 83 12.593 -10.502 -26.949 1.00 75.33 ATOM 1312 HG22 THR 83 11.114 -11.440 -27.164 1.00 4.23 ATOM 1313 HG23 THR 83 11.204 -9.785 -27.769 1.00 62.11 ATOM 1314 C THR 83 11.711 -11.883 -31.302 1.00 61.31 ATOM 1315 O THR 83 12.459 -12.861 -31.393 1.00 4.02 ATOM 1316 N PRO 84 11.383 -11.139 -32.382 1.00 24.30 ATOM 1317 CA PRO 84 11.886 -11.436 -33.741 1.00 52.13 ATOM 1318 HA PRO 84 11.442 -12.344 -34.127 1.00 0.40 ATOM 1319 CB PRO 84 11.401 -10.237 -34.566 1.00 65.13 ATOM 1320 HB1 PRO 84 11.145 -10.560 -35.564 1.00 37.92 ATOM 1321 HB2 PRO 84 12.181 -9.489 -34.615 1.00 63.22 ATOM 1322 CG PRO 84 10.205 -9.730 -33.832 1.00 25.34 ATOM 1323 HG1 PRO 84 9.325 -10.284 -34.133 1.00 37.92 ATOM 1324 HG2 PRO 84 10.070 -8.675 -34.031 1.00 43.54 ATOM 1325 CD PRO 84 10.495 -9.958 -32.371 1.00 35.51 ATOM 1326 HD1 PRO 84 9.583 -10.168 -31.832 1.00 37.92 ATOM 1327 HD2 PRO 84 10.998 -9.100 -31.947 1.00 64.13 ATOM 1328 C PRO 84 13.422 -11.554 -33.809 1.00 21.23 ATOM 1329 O PRO 84 14.148 -10.655 -33.371 1.00 12.13 ATOM 1330 N LEU 85 13.910 -12.666 -34.368 1.00 23.44 ATOM 1331 HN LEU 85 13.286 -13.324 -34.737 1.00 37.92 ATOM 1332 CA LEU 85 15.353 -12.928 -34.453 1.00 22.01 ATOM 1333 HA LEU 85 15.851 -11.971 -34.537 1.00 24.45 ATOM 1334 CB LEU 85 15.841 -13.620 -33.163 1.00 25.12 ATOM 1335 HB1 LEU 85 15.926 -12.864 -32.394 1.00 37.92 ATOM 1336 HB2 LEU 85 16.827 -14.022 -33.348 1.00 63.44 ATOM 1337 CG LEU 85 14.952 -14.760 -32.615 1.00 13.42 ATOM 1338 HG LEU 85 13.939 -14.394 -32.515 1.00 64.54 ATOM 1339 CD1 LEU 85 14.913 -15.958 -33.563 1.00 74.42 ATOM 1340 HD11 LEU 85 14.298 -16.738 -33.135 1.00 44.34 ATOM 1341 HD12 LEU 85 15.914 -16.334 -33.716 1.00 23.22 ATOM 1342 HD13 LEU 85 14.495 -15.653 -34.512 1.00 43.44 ATOM 1343 CD2 LEU 85 15.429 -15.188 -31.227 1.00 15.34 ATOM 1344 HD21 LEU 85 15.399 -14.339 -30.559 1.00 54.40 ATOM 1345 HD22 LEU 85 16.443 -15.559 -31.290 1.00 41.24 ATOM 1346 HD23 LEU 85 14.785 -15.966 -30.845 1.00 45.42 ATOM 1347 C LEU 85 15.720 -13.763 -35.696 1.00 22.31 ATOM 1348 O LEU 85 14.847 -14.155 -36.477 1.00 24.13 ATOM 1349 N ALA 86 17.018 -14.035 -35.868 1.00 52.40 ATOM 1350 HN ALA 86 17.663 -13.711 -35.201 1.00 37.92 ATOM 1351 CA ALA 86 17.511 -14.803 -37.021 1.00 52.33 ATOM 1352 HA ALA 86 16.913 -14.528 -37.880 1.00 63.13 ATOM 1353 CB ALA 86 18.959 -14.430 -37.321 1.00 32.22 ATOM 1354 HB1 ALA 86 19.584 -14.706 -36.483 1.00 4.34 ATOM 1355 HB2 ALA 86 19.032 -13.364 -37.485 1.00 40.23 ATOM 1356 HB3 ALA 86 19.293 -14.954 -38.205 1.00 33.02 ATOM 1357 C ALA 86 17.389 -16.320 -36.798 1.00 51.42 ATOM 1358 O ALA 86 17.745 -16.835 -35.736 1.00 42.32 ATOM 1359 N LEU 87 16.901 -17.031 -37.817 1.00 54.33 ATOM 1360 HN LEU 87 16.663 -16.562 -38.647 1.00 37.92 ATOM 1361 CA LEU 87 16.697 -18.488 -37.737 1.00 64.52 ATOM 1362 HA LEU 87 16.222 -18.703 -36.789 1.00 54.10 ATOM 1363 CB LEU 87 15.770 -18.950 -38.870 1.00 34.31 ATOM 1364 HB1 LEU 87 15.682 -20.026 -38.821 1.00 37.92 ATOM 1365 HB2 LEU 87 16.235 -18.689 -39.812 1.00 31.35 ATOM 1366 CG LEU 87 14.352 -18.352 -38.851 1.00 74.14 ATOM 1367 HG LEU 87 14.425 -17.275 -38.908 1.00 74.33 ATOM 1368 CD1 LEU 87 13.551 -18.827 -40.061 1.00 40.31 ATOM 1369 HD11 LEU 87 12.562 -18.391 -40.033 1.00 0.23 ATOM 1370 HD12 LEU 87 13.469 -19.904 -40.043 1.00 45.11 ATOM 1371 HD13 LEU 87 14.051 -18.521 -40.969 1.00 21.11 ATOM 1372 CD2 LEU 87 13.631 -18.707 -37.550 1.00 21.32 ATOM 1373 HD21 LEU 87 14.193 -18.325 -36.710 1.00 54.01 ATOM 1374 HD22 LEU 87 13.541 -19.780 -37.465 1.00 60.24 ATOM 1375 HD23 LEU 87 12.646 -18.263 -37.552 1.00 0.41 ATOM 1376 C LEU 87 18.021 -19.266 -37.811 1.00 43.11 ATOM 1377 O LEU 87 18.167 -20.324 -37.195 1.00 33.20 ATOM 1378 N ASP 88 18.982 -18.734 -38.563 1.00 14.02 ATOM 1379 HN ASP 88 18.826 -17.861 -38.982 1.00 37.92 ATOM 1380 CA ASP 88 20.267 -19.410 -38.796 1.00 62.54 ATOM 1381 HA ASP 88 20.063 -20.464 -38.925 1.00 60.32 ATOM 1382 CB ASP 88 20.895 -18.874 -40.087 1.00 75.44 ATOM 1383 HB1 ASP 88 20.276 -19.161 -40.926 1.00 37.92 ATOM 1384 HB2 ASP 88 21.879 -19.304 -40.211 1.00 12.32 ATOM 1385 CG ASP 88 21.022 -17.361 -40.079 1.00 35.23 ATOM 1386 OD1 ASP 88 20.004 -16.675 -40.317 1.00 25.01 ATOM 1387 OD2 ASP 88 22.133 -16.850 -39.835 1.00 64.11 ATOM 1388 C ASP 88 21.248 -19.249 -37.617 1.00 64.11 ATOM 1389 O ASP 88 22.392 -19.710 -37.684 1.00 71.44 ATOM 1390 N ALA 89 20.789 -18.619 -36.538 1.00 3.31 ATOM 1391 HN ALA 89 19.856 -18.329 -36.523 1.00 37.92 ATOM 1392 CA ALA 89 21.634 -18.355 -35.367 1.00 32.11 ATOM 1393 HA ALA 89 22.502 -17.809 -35.707 1.00 60.53 ATOM 1394 CB ALA 89 20.884 -17.470 -34.375 1.00 2.52 ATOM 1395 HB1 ALA 89 21.531 -17.227 -33.544 1.00 41.04 ATOM 1396 HB2 ALA 89 20.012 -17.994 -34.011 1.00 63.15 ATOM 1397 HB3 ALA 89 20.574 -16.559 -34.867 1.00 41.41 ATOM 1398 C ALA 89 22.106 -19.650 -34.680 1.00 31.42 ATOM 1399 O ALA 89 21.458 -20.696 -34.772 1.00 61.22 ATOM 1400 N ASN 90 23.247 -19.568 -33.996 1.00 72.31 ATOM 1401 HN ASN 90 23.731 -18.716 -33.988 1.00 37.92 ATOM 1402 CA ASN 90 23.820 -20.718 -33.279 1.00 21.14 ATOM 1403 HA ASN 90 23.805 -21.568 -33.947 1.00 12.14 ATOM 1404 CB ASN 90 25.274 -20.424 -32.880 1.00 42.42 ATOM 1405 HB1 ASN 90 25.703 -21.313 -32.437 1.00 37.92 ATOM 1406 HB2 ASN 90 25.288 -19.625 -32.151 1.00 30.42 ATOM 1407 CG ASN 90 26.139 -20.005 -34.055 1.00 12.31 ATOM 1408 OD1 ASN 90 25.669 -19.384 -35.001 1.00 33.22 ATOM 1409 ND2 ASN 90 27.411 -20.341 -34.005 1.00 23.31 ATOM 1410 HD21 ASN 90 27.728 -20.838 -33.225 1.00 54.43 ATOM 1411 HD22 ASN 90 27.988 -20.069 -34.750 1.00 11.30 ATOM 1412 C ASN 90 23.005 -21.059 -32.023 1.00 45.50 ATOM 1413 O ASN 90 22.976 -22.210 -31.577 1.00 13.32 ATOM 1414 N LYS 91 22.359 -20.045 -31.452 1.00 62.32 ATOM 1415 HN LYS 91 22.428 -19.157 -31.858 1.00 37.92 ATOM 1416 HA LYS 91 21.035 -21.160 -30.307 1.00 64.32 ATOM 1417 CB LYS 91 22.451 -20.204 -28.990 1.00 12.11 ATOM 1418 HB1 LYS 91 22.762 -19.187 -28.795 1.00 37.92 ATOM 1419 HB2 LYS 91 23.328 -20.797 -29.201 1.00 15.22 ATOM 1420 CG LYS 91 21.807 -20.755 -27.712 1.00 44.20 ATOM 1421 HG1 LYS 91 22.590 -20.951 -26.990 1.00 37.92 ATOM 1422 HG2 LYS 91 21.309 -21.684 -27.950 1.00 61.31 ATOM 1423 CD LYS 91 20.782 -19.801 -27.080 1.00 64.24 ATOM 1424 HD1 LYS 91 20.221 -20.343 -26.331 1.00 37.92 ATOM 1425 HD2 LYS 91 20.110 -19.460 -27.850 1.00 55.13 ATOM 1426 CE LYS 91 21.427 -18.576 -26.424 1.00 0.22 ATOM 1427 HE1 LYS 91 22.192 -18.914 -25.740 1.00 37.92 ATOM 1428 HE2 LYS 91 20.670 -18.039 -25.872 1.00 14.34 ATOM 1429 NZ LYS 91 22.042 -17.651 -27.414 1.00 2.22 ATOM 1430 HZ1 LYS 91 22.366 -16.783 -26.943 1.00 1.13 ATOM 1431 HZ2 LYS 91 21.351 -17.395 -28.150 1.00 71.24 ATOM 1432 HZ3 LYS 91 22.858 -18.105 -27.868 1.00 12.21 ATOM 1433 CA LYS 91 21.543 -20.206 -30.242 1.00 12.13 ATOM 1434 C LYS 91 20.491 -19.083 -30.159 1.00 23.13 ATOM 1435 OT1 LYS 91 19.302 -19.352 -30.432 1.00 37.92 ATOM 1436 OT2 LYS 91 20.867 -17.934 -29.830 1.00 37.92 ATOM 1437 OH2 TIP3 1 2.178 -34.409 -32.172 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 2.148 -33.483 -31.877 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 2.483 -34.902 -31.382 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 0.039 -28.328 -32.771 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -0.789 -28.359 -33.305 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 0.706 -28.775 -33.342 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 -2.961 -31.742 -35.902 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 -2.151 -31.356 -36.281 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 -3.511 -30.968 -35.668 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 1.646 -32.725 -36.045 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 2.069 -33.524 -36.394 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 2.392 -32.105 -35.901 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 4.604 -33.500 -36.518 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 4.967 -33.869 -35.679 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 4.439 -32.556 -36.305 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -8.110 -32.253 -32.768 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -8.318 -33.029 -32.236 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -7.205 -32.429 -33.102 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -6.993 -30.850 -36.273 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -6.934 -29.991 -36.754 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -7.667 -31.341 -36.749 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -0.439 -30.964 -36.919 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 0.264 -30.363 -37.256 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 0.054 -31.742 -36.594 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 0.090 -33.401 -33.795 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 0.539 -33.271 -34.652 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 0.703 -33.972 -33.287 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 2.579 -40.722 -21.288 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 3.408 -41.097 -20.913 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 2.717 -40.764 -22.261 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -8.098 -27.967 -20.880 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -7.707 -27.495 -20.118 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -7.561 -28.762 -20.970 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 1.218 -39.040 -16.922 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 1.134 -39.200 -17.889 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 0.653 -39.718 -16.523 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -4.884 -37.000 -24.356 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -4.314 -37.564 -24.917 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -5.419 -36.506 -24.983 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -0.171 -32.940 -23.337 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -0.739 -32.366 -22.774 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 -0.048 -33.752 -22.806 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -5.009 -29.879 -24.165 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -5.263 -29.848 -25.113 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -4.053 -29.645 -24.162 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -3.502 -38.649 -26.130 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -2.825 -39.198 -25.658 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -3.972 -39.281 -26.684 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 0.829 -39.529 -19.605 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 0.587 -38.657 -19.964 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 1.446 -39.905 -20.281 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 -2.848 -39.783 -20.299 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -2.294 -40.033 -21.049 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 -3.740 -39.628 -20.698 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -4.569 -36.250 -21.752 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -4.914 -35.343 -21.718 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -4.601 -36.480 -22.710 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -5.676 -33.431 -22.713 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -6.002 -32.698 -22.163 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -5.127 -33.004 -23.373 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 3.178 -35.444 -29.766 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 3.931 -35.993 -30.099 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 2.781 -35.984 -29.074 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 3.431 -35.729 -19.823 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 2.907 -35.820 -19.015 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 2.776 -35.742 -20.531 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -6.054 -29.343 -26.664 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -6.648 -29.685 -27.362 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -6.655 -28.843 -26.066 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 1.814 -31.630 -32.122 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 1.363 -31.843 -32.956 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 2.562 -31.044 -32.395 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 0.064 -32.288 -17.908 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -0.124 -32.018 -18.813 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -0.813 -32.558 -17.550 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 4.714 -42.090 -20.360 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 4.989 -42.697 -21.078 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 4.513 -42.682 -19.609 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 0.235 -36.590 -19.764 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -0.741 -36.737 -19.721 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 0.363 -36.123 -20.619 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 3.857 -43.650 -18.188 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 3.935 -42.939 -17.513 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 2.888 -43.736 -18.334 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -1.643 -40.267 -25.001 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -0.778 -39.798 -24.961 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -1.452 -41.140 -24.646 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 0.567 -35.393 -22.208 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 0.061 -35.883 -22.903 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 1.454 -35.271 -22.603 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 3.485 -37.220 -25.855 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 3.886 -37.677 -26.615 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 3.239 -36.339 -26.205 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 0.835 -39.110 -24.902 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 1.420 -39.512 -25.576 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 1.455 -38.800 -24.203 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -2.925 -33.339 -30.833 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -2.968 -33.373 -31.809 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -2.102 -32.848 -30.652 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -5.712 -33.433 -30.926 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -4.772 -33.522 -30.660 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -5.681 -33.421 -31.901 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 1.758 -43.447 -21.259 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 1.841 -42.478 -21.215 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 1.544 -43.711 -20.343 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -5.577 -32.972 -33.667 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -4.602 -33.026 -33.569 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -5.715 -32.947 -34.624 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -2.063 -36.375 -26.618 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -2.236 -36.122 -27.530 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -2.618 -37.172 -26.479 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -5.101 -38.971 -21.529 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -4.957 -38.001 -21.514 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -5.818 -39.093 -22.158 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 -6.554 -30.913 -30.159 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 -6.552 -31.885 -30.293 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -7.260 -30.758 -29.503 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 0.299 -35.703 -14.546 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -0.623 -35.523 -14.760 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 0.720 -35.846 -15.415 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 2.818 -40.492 -26.417 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 3.316 -39.800 -26.907 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 3.285 -41.322 -26.647 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 3.018 -44.804 -26.185 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 2.961 -44.700 -25.206 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 2.367 -45.480 -26.388 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 -0.472 -36.675 -24.363 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -0.084 -37.543 -24.590 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 -1.053 -36.468 -25.125 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 4.565 -42.618 -26.524 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 3.948 -43.384 -26.449 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 5.337 -42.984 -27.013 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 3.027 -44.186 -23.542 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 3.940 -44.147 -23.183 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 2.453 -44.089 -22.744 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 1.224 -36.293 -17.221 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 1.313 -37.240 -16.974 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 0.801 -36.321 -18.111 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 3.901 -38.965 -16.284 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 2.950 -38.911 -16.510 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 4.072 -39.924 -16.214 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 1.135 -43.918 -18.562 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 0.537 -44.597 -18.233 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 0.685 -43.067 -18.331 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -0.108 -41.582 -18.026 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -1.024 -41.296 -17.806 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 0.199 -40.916 -18.678 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -3.739 -29.505 -21.240 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -3.361 -29.160 -22.073 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -4.100 -28.705 -20.792 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -2.479 -29.015 -23.636 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -1.942 -28.219 -23.843 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -1.826 -29.671 -23.326 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -6.130 -30.772 -21.872 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -5.395 -30.511 -21.283 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -5.834 -30.475 -22.762 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 -0.484 -31.805 -30.586 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 -0.103 -31.994 -29.703 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 0.298 -31.745 -31.174 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 2.068 -33.719 -16.766 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 1.832 -34.659 -16.921 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 1.331 -33.216 -17.186 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 6.315 -34.032 -13.002 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 5.532 -34.616 -13.087 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 7.070 -34.640 -13.097 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 1.879 -35.876 -12.317 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 1.672 -36.806 -12.174 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 1.326 -35.625 -13.096 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 4.338 -33.972 -15.206 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 4.647 -34.873 -15.437 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 3.507 -33.868 -15.717 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -2.553 -40.472 -17.691 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -3.415 -40.309 -17.302 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -2.653 -40.188 -18.629 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 2.796 -34.425 -10.048 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 2.563 -34.835 -10.907 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 2.001 -34.526 -9.517 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 1.637 -29.440 -37.846 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 2.013 -28.541 -37.853 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 2.136 -29.912 -38.548 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 3.818 -31.006 -35.727 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 4.168 -30.231 -36.202 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 4.028 -30.817 -34.779 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 3.218 -30.473 -39.845 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 4.010 -29.882 -39.871 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 3.093 -30.739 -40.763 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 4.873 -26.111 -39.524 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 5.136 -25.446 -38.848 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 5.099 -25.695 -40.364 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -1.716 -24.706 -32.999 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 -2.187 -23.852 -33.139 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -2.437 -25.362 -32.874 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 5.301 -15.794 -32.852 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 4.480 -16.149 -33.247 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 5.001 -15.010 -32.342 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -0.618 -28.184 -30.184 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -1.435 -27.638 -30.152 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -0.373 -28.197 -31.137 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -5.815 -27.487 -34.914 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -5.954 -26.816 -34.211 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -4.947 -27.241 -35.314 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -2.326 -28.506 -34.018 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -2.815 -27.825 -33.499 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -2.666 -28.400 -34.926 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -3.601 -26.626 -32.533 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -4.529 -26.311 -32.625 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -3.497 -26.782 -31.567 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -5.231 -23.136 -34.309 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -4.994 -23.234 -35.241 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -4.407 -22.791 -33.889 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 4.279 -15.633 -36.205 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 3.804 -16.033 -35.441 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 3.916 -14.740 -36.265 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -7.845 -22.597 -33.783 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -8.376 -22.459 -34.599 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -6.927 -22.689 -34.109 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 1.504 -20.522 -30.718 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 0.672 -20.870 -30.346 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 1.725 -21.149 -31.437 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -2.341 -29.208 -37.850 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -1.664 -29.838 -37.525 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -2.348 -29.340 -38.802 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -1.451 -25.684 -35.603 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -0.566 -26.087 -35.722 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -1.388 -25.218 -34.749 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 1.074 -26.811 -35.728 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 1.201 -27.712 -35.356 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 1.626 -26.810 -36.535 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -2.976 -26.774 -29.875 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -2.682 -25.865 -29.620 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -3.500 -27.076 -29.104 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -6.011 -25.481 -33.028 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -6.737 -25.269 -32.413 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -5.806 -24.625 -33.460 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -3.489 -27.315 -36.285 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -3.108 -27.944 -36.943 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -2.775 -26.645 -36.151 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -2.878 -22.260 -33.316 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -3.085 -21.901 -32.423 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -2.266 -21.589 -33.705 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -9.137 -22.591 -36.231 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -9.614 -23.414 -36.384 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -9.467 -21.994 -36.910 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -6.641 -28.394 -37.347 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -5.962 -28.045 -37.932 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -6.481 -27.938 -36.493 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -8.713 -29.581 -32.941 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -8.373 -29.288 -33.797 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -8.509 -30.548 -32.922 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -4.834 -30.048 -34.816 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -5.526 -30.525 -35.324 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -5.145 -29.119 -34.810 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 0.421 -17.050 -31.130 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -0.463 -17.447 -31.012 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 0.812 -17.561 -31.859 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 0.196 -23.717 -31.346 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -0.493 -24.190 -31.872 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 0.384 -24.316 -30.602 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 3.150 -24.520 -36.140 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 2.749 -25.135 -36.772 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 3.916 -24.151 -36.624 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 1.777 -29.228 -34.634 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 2.573 -29.442 -34.084 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 1.867 -29.802 -35.412 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -10.055 -29.860 -30.540 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -10.603 -30.622 -30.762 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -9.496 -29.725 -31.340 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -2.767 -33.100 -33.592 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -1.811 -33.308 -33.511 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -2.841 -32.675 -34.479 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 2.874 -16.579 -34.058 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 2.203 -17.208 -33.739 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 2.470 -15.695 -33.907 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -11.344 -19.672 -20.503 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -11.470 -19.696 -21.457 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -10.637 -20.329 -20.336 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -8.919 -20.486 -24.770 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -8.750 -20.175 -23.863 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -9.586 -21.195 -24.661 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -4.486 -17.683 -24.303 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -4.577 -18.240 -25.095 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -3.614 -17.937 -23.932 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -9.101 -27.453 -27.048 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -9.885 -26.986 -26.731 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -8.605 -27.672 -26.224 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -5.973 -21.639 -23.078 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -5.830 -22.578 -23.323 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -5.232 -21.436 -22.455 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -1.930 -18.183 -23.436 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -2.012 -18.955 -22.815 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -1.063 -17.787 -23.207 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -5.195 -21.320 -18.551 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -4.905 -20.540 -18.053 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -4.790 -21.202 -19.441 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -12.858 -24.262 -24.357 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -13.600 -24.697 -23.932 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -12.173 -24.962 -24.422 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -8.511 -18.326 -18.300 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -8.477 -19.040 -18.953 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -9.477 -18.136 -18.204 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -5.662 -27.396 -23.108 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -5.483 -28.324 -23.351 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -5.052 -26.879 -23.676 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 0.443 -16.815 -23.163 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 0.858 -17.697 -23.354 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 0.937 -16.496 -22.400 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -0.954 -21.564 -29.989 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -1.853 -21.456 -30.374 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -0.618 -22.387 -30.401 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -6.742 -23.400 -26.230 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -6.633 -22.431 -26.105 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -6.549 -23.539 -27.182 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -5.674 -18.956 -21.031 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -6.539 -19.252 -21.380 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -5.101 -19.756 -21.097 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -8.003 -20.131 -22.124 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -7.367 -20.789 -22.485 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -8.450 -20.605 -21.393 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -7.502 -18.381 -15.760 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -6.565 -18.465 -16.032 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -7.995 -18.367 -16.609 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -11.221 -18.214 -18.211 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -12.074 -18.250 -17.773 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -11.367 -18.684 -19.065 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -3.021 -17.214 -28.777 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -2.614 -17.246 -27.890 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -3.965 -17.160 -28.600 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -4.792 -18.788 -16.387 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -4.840 -19.688 -15.989 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -4.418 -18.228 -15.669 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 1.131 -15.282 -29.049 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 0.899 -15.825 -29.838 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 1.989 -14.877 -29.282 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -2.295 -21.232 -27.565 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -1.802 -21.332 -28.402 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -2.133 -22.069 -27.092 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -2.030 -17.710 -26.201 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -1.915 -17.750 -25.229 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -2.737 -18.370 -26.382 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -1.629 -31.142 -21.987 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -0.912 -30.671 -21.506 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -2.447 -30.853 -21.535 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -1.897 -24.492 -28.930 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -0.930 -24.588 -28.957 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -2.074 -24.126 -28.044 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -9.580 -23.257 -21.871 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -9.961 -22.996 -22.735 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -9.404 -24.214 -21.970 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -9.344 -24.313 -26.420 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -8.413 -24.022 -26.295 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -9.427 -24.435 -27.389 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -3.589 -25.853 -14.431 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -4.504 -25.780 -14.795 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -3.040 -26.036 -15.216 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -10.662 -25.894 -24.564 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -10.062 -25.981 -23.794 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -10.164 -25.336 -25.194 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 -9.320 -26.808 -32.325 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 -9.090 -27.720 -32.573 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 -9.880 -26.911 -31.531 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -7.758 -28.193 -24.830 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -7.273 -27.719 -24.131 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -8.126 -28.988 -24.371 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -9.353 -24.838 -29.223 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -9.126 -24.577 -30.140 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -9.775 -25.715 -29.324 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -8.328 -24.354 -31.749 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -8.355 -23.734 -32.511 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -8.719 -25.190 -32.103 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -5.618 -24.216 -23.832 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -4.961 -24.869 -24.152 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -6.149 -24.004 -24.633 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -4.342 -27.319 -27.439 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -5.115 -26.763 -27.710 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -4.750 -28.165 -27.168 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -10.565 -22.721 -24.459 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -10.183 -23.193 -25.227 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -11.491 -23.049 -24.416 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -3.485 -21.064 -30.982 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -4.447 -21.160 -30.835 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -3.330 -20.100 -30.956 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -8.368 -24.656 -16.918 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -9.235 -24.503 -16.530 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -8.110 -23.781 -17.281 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -6.327 -20.757 -25.639 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -6.067 -20.921 -24.708 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -7.275 -20.500 -25.578 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -4.080 -19.437 -26.592 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -4.898 -19.930 -26.366 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -3.482 -20.125 -26.970 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -3.188 -17.768 -20.611 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -2.668 -18.570 -20.870 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -4.114 -18.070 -20.650 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -1.793 -18.727 -30.642 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -1.283 -19.301 -30.057 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -2.254 -18.105 -30.030 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -6.704 -26.201 -28.033 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -7.623 -26.479 -27.866 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -6.788 -25.312 -28.426 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -5.049 -23.926 -21.072 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -5.307 -24.125 -21.995 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -4.754 -22.989 -21.102 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -10.677 -27.230 -29.935 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -11.549 -27.217 -29.524 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -10.460 -28.185 -30.010 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -3.886 -16.205 -17.559 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -3.921 -17.136 -17.272 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -4.814 -15.998 -17.798 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 1.356 -18.975 -32.946 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 1.421 -19.360 -32.042 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 1.809 -19.622 -33.507 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -7.737 -22.041 -17.690 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -6.844 -21.831 -18.048 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -7.753 -21.598 -16.828 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -1.216 -20.232 -34.034 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -1.202 -19.596 -34.754 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -0.571 -19.884 -33.397 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -6.838 -23.567 -28.986 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -7.766 -23.765 -29.215 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 -6.503 -23.068 -29.756 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -9.190 -21.362 -19.988 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -9.352 -22.174 -20.530 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -8.761 -21.698 -19.174 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -6.321 -21.825 -31.234 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -7.091 -21.251 -31.134 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -6.494 -22.310 -32.056 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -5.742 -25.316 -15.995 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -6.713 -25.299 -16.073 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -5.433 -24.853 -16.801 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -7.022 -26.229 -18.946 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -7.750 -26.098 -18.315 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -6.430 -25.467 -18.780 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -4.953 -27.238 -20.429 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -5.290 -27.096 -21.338 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -5.664 -26.895 -19.855 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -0.009 -24.958 -12.713 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -0.722 -25.578 -12.459 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -0.433 -24.356 -13.348 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -2.223 -24.984 -19.458 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -3.027 -24.859 -19.984 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -1.549 -24.461 -19.924 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -2.744 -26.302 -17.101 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -2.441 -25.785 -17.884 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -3.688 -26.448 -17.269 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -0.898 -28.219 -16.389 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -1.567 -27.514 -16.540 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -0.681 -28.531 -17.276 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -1.218 -30.813 -15.220 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -1.381 -29.879 -15.440 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -0.254 -30.884 -15.195 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -6.871 -15.527 -15.456 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -6.703 -15.688 -16.413 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -7.341 -16.328 -15.165 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -6.658 -16.223 -18.109 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 -6.813 -15.675 -18.905 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -7.239 -17.004 -18.239 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -3.262 -15.141 -22.508 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -2.839 -15.954 -22.826 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -4.205 -15.385 -22.422 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 -5.714 -16.477 -22.195 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 -5.445 -16.807 -23.086 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 -5.784 -17.295 -21.655 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 -3.958 -26.172 -24.864 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -3.022 -26.318 -24.615 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 -3.993 -26.406 -25.815 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -8.334 -30.550 -23.573 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -7.758 -30.664 -22.796 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -8.741 -31.413 -23.696 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -8.347 -29.789 -28.341 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 -9.010 -29.890 -29.053 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -8.613 -28.962 -27.886 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -2.421 -37.038 -20.014 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -2.607 -37.994 -20.037 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -3.119 -36.644 -20.575 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -1.250 -21.026 -8.171 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -1.956 -20.867 -7.532 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -0.479 -20.584 -7.788 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 1.385 -21.723 -0.911 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 1.253 -22.077 -0.027 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 0.481 -21.615 -1.265 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -0.909 -23.387 -9.619 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -0.978 -22.606 -9.034 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -1.745 -23.378 -10.126 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 1.831 -27.612 -9.093 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 1.415 -26.785 -8.776 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 1.218 -27.933 -9.784 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -1.726 -20.603 -10.869 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -2.350 -21.337 -11.020 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -1.536 -20.647 -9.911 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -3.444 -22.901 -10.901 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -4.369 -22.589 -10.742 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -3.392 -22.990 -11.883 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -3.511 -23.190 -13.609 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -2.687 -22.980 -14.090 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -3.715 -24.109 -13.881 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -0.920 -21.367 -2.545 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -1.812 -21.719 -2.453 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -1.051 -20.390 -2.604 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 0.375 -25.453 -8.244 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -0.402 -26.051 -8.181 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 0.049 -24.698 -8.777 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 2.587 -24.375 -12.496 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 1.677 -24.755 -12.578 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 2.870 -24.236 -13.413 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 3.078 -31.058 -16.162 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 2.344 -30.432 -15.989 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 2.637 -31.857 -16.509 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 1.894 -15.207 1.249 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 1.118 -14.779 1.626 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 2.653 -14.767 1.702 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -5.291 -18.655 -12.459 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -5.276 -18.136 -13.281 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -4.348 -18.729 -12.213 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 -2.482 -18.476 -12.451 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 -1.622 -18.149 -12.808 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 -2.227 -19.214 -11.861 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 -3.732 -25.589 -10.058 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 -3.628 -24.628 -10.222 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 -4.683 -25.741 -10.141 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -7.794 -20.714 -14.302 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -7.836 -19.831 -14.726 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 -7.863 -20.524 -13.347 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -0.389 -28.087 -10.673 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -0.867 -27.888 -9.842 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 -0.920 -27.634 -11.364 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -2.174 -26.559 -12.142 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -2.759 -26.251 -11.422 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -2.725 -26.476 -12.952 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -6.133 -22.264 -10.836 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -6.453 -21.406 -11.188 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -6.931 -22.796 -10.761 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 2.068 -18.039 1.158 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 2.134 -18.112 0.190 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 2.024 -17.078 1.322 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 1.501 -22.531 -10.704 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 0.646 -22.943 -10.457 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 1.862 -23.126 -11.393 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -5.252 -24.110 -18.404 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -5.161 -24.151 -19.385 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -5.131 -23.159 -18.197 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -7.472 -19.958 -11.620 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -6.680 -19.436 -11.909 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -7.987 -19.334 -11.097 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 3.259 -22.680 -8.551 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 3.105 -22.217 -7.708 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 2.566 -22.331 -9.152 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 1.617 -21.485 -3.658 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 1.937 -21.663 -2.749 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 0.641 -21.496 -3.566 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 -0.016 -17.815 -13.365 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 0.575 -17.259 -13.885 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 0.574 -18.467 -12.938 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -5.235 -21.157 -15.147 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -4.754 -21.771 -14.570 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -6.148 -21.153 -14.786 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -8.805 -25.865 -22.461 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -8.809 -26.682 -21.910 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -7.867 -25.698 -22.622 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 -4.856 -14.591 -13.686 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 -5.591 -15.102 -14.084 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 -4.917 -13.722 -14.116 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 3.479 -15.557 -1.011 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 3.733 -14.667 -1.339 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 2.857 -15.373 -0.275 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 2.161 -17.841 -1.632 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 2.756 -17.060 -1.543 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 1.263 -17.450 -1.671 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 4.056 -24.674 -10.237 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 3.889 -23.850 -9.735 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 3.533 -24.564 -11.062 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 2.613 -18.928 -4.108 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 2.261 -19.839 -4.071 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 2.405 -18.555 -3.227 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 -1.263 -18.676 -2.815 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 -1.941 -18.242 -3.341 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 -0.818 -17.941 -2.346 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 2.957 -25.110 -7.262 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 3.122 -24.311 -7.806 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 2.009 -25.309 -7.413 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 -2.314 -32.810 -16.681 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 -2.002 -32.090 -16.087 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 -3.200 -33.008 -16.368 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 -1.882 -27.022 -8.572 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 -2.529 -26.518 -9.114 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 -2.418 -27.426 -7.878 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 3.077 -22.535 -5.716 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 2.588 -22.101 -4.979 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 2.657 -23.404 -5.799 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 1.270 -29.282 -15.037 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 0.550 -28.741 -15.425 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 1.073 -29.292 -14.075 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -0.542 -12.016 -4.751 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -1.101 -12.778 -4.553 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -0.449 -11.558 -3.888 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -0.281 -16.464 -1.422 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -0.366 -15.496 -1.569 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -0.537 -16.584 -0.499 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 3.407 -29.204 -7.356 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 3.520 -30.099 -7.755 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 2.538 -28.909 -7.679 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 1.056 -29.730 -12.311 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 0.686 -30.598 -12.108 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 0.600 -29.122 -11.685 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 -3.961 -17.162 -14.359 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 -4.014 -16.220 -14.112 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 -3.310 -17.540 -13.728 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 0.889 -20.029 -11.841 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 -0.053 -20.098 -11.600 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 1.298 -20.811 -11.423 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 4.111 -13.621 -31.560 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 3.874 -12.693 -31.776 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 3.953 -13.685 -30.592 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 2.540 -13.856 -33.796 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 2.211 -12.949 -33.835 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 3.114 -13.864 -33.001 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 -2.691 -6.818 -20.347 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 -2.800 -6.743 -19.369 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 -3.220 -6.094 -20.700 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 0.227 -11.253 -21.955 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 0.911 -11.954 -21.846 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 -0.483 -11.697 -22.472 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 -0.394 -9.869 -25.590 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 -1.105 -10.379 -25.991 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 0.390 -10.076 -26.141 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 3.054 -14.540 -23.747 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 3.635 -13.911 -24.248 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 3.667 -14.983 -23.115 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 -7.011 -14.789 -20.500 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 -7.842 -14.558 -20.929 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 -6.549 -15.359 -21.160 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 2.050 -4.310 -18.890 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 1.485 -3.665 -18.411 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 1.557 -4.488 -19.722 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 3.029 -5.127 -22.725 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 2.259 -5.001 -22.125 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 2.930 -4.408 -23.395 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 3.391 -13.591 -28.888 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 4.265 -13.319 -28.513 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 2.744 -13.265 -28.238 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 3.544 -2.045 -17.457 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 4.270 -2.182 -16.816 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 3.620 -2.800 -18.060 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 -0.909 -7.627 -11.914 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 -1.199 -7.353 -11.032 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 -0.757 -6.779 -12.390 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 0.244 -8.735 -23.237 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 -0.062 -9.097 -24.104 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 0.210 -9.504 -22.636 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 -0.519 -10.088 -19.594 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 -0.299 -10.589 -20.412 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 -0.561 -10.778 -18.891 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 2.006 -13.261 -21.592 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 2.247 -13.747 -22.411 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 2.664 -13.558 -20.935 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 -0.560 -6.106 -23.264 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 -0.351 -7.065 -23.207 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 -1.323 -6.066 -23.847 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 -3.104 -9.597 -20.146 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 -3.181 -8.666 -20.430 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 -2.170 -9.682 -19.858 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 0.820 -5.165 -21.163 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 0.269 -5.235 -21.978 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 0.573 -5.967 -20.645 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 3.309 -9.837 -29.354 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 4.175 -10.256 -29.548 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 3.526 -8.889 -29.235 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 2.177 -6.741 -17.574 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 1.230 -6.976 -17.390 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 2.130 -5.822 -17.919 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 -0.062 -7.420 -20.032 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 -0.162 -8.351 -19.746 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 -0.977 -7.142 -20.254 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 -2.428 -13.839 -17.190 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 -2.935 -14.643 -16.953 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 -3.072 -13.105 -17.062 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 -1.028 -9.942 -15.764 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 -1.616 -10.451 -15.168 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 -0.905 -10.533 -16.533 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 2.489 -7.448 -24.113 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 1.680 -7.808 -23.687 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 2.664 -6.610 -23.632 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 -2.965 -6.787 -17.647 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 -3.490 -6.245 -17.048 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 -3.343 -7.697 -17.541 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 -3.058 -12.275 -20.762 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 -2.663 -12.280 -21.652 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 -3.167 -11.320 -20.553 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 0.814 -11.899 -11.782 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 0.051 -11.299 -11.920 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 0.772 -12.513 -12.540 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 -0.334 -7.582 -16.965 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 -1.179 -7.172 -17.234 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 -0.604 -8.410 -16.515 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 -4.832 -13.699 -19.200 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 -4.458 -12.945 -19.694 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 -5.671 -13.897 -19.660 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 -3.946 -9.296 -17.515 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 -3.865 -9.561 -18.450 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 -3.961 -10.148 -17.026 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 -0.520 -11.964 -17.612 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 -1.207 -12.653 -17.448 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 0.265 -12.290 -17.129 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 0.274 -13.283 -14.268 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 0.863 -12.872 -14.926 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 0.273 -14.230 -14.510 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 -6.248 -12.817 -15.376 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 -7.073 -12.327 -15.470 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 -6.511 -13.756 -15.495 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 -3.898 -11.725 -16.247 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 -4.770 -12.089 -15.976 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 -3.348 -11.780 -15.432 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 2.031 -7.295 -26.873 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 2.119 -7.165 -25.909 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 1.589 -8.152 -26.958 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 2.593 -3.169 -24.580 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 2.937 -2.279 -24.706 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 1.941 -3.275 -25.283 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 3.862 -7.189 -28.836 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 3.629 -6.470 -29.429 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 3.195 -7.131 -28.110 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 4.554 -9.550 -33.698 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 4.867 -9.025 -34.446 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 5.375 -9.818 -33.238 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 3.907 -9.281 -25.532 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 3.208 -9.754 -26.027 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 3.416 -8.625 -24.989 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 -0.071 -3.336 -15.105 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 0.107 -3.071 -16.026 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 0.402 -2.666 -14.570 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 0.639 -8.818 -13.875 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 0.017 -8.433 -13.221 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 0.054 -9.216 -14.555 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 2.986 -11.185 -32.154 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 3.444 -10.574 -32.774 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 2.809 -10.641 -31.371 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 1.828 -10.451 -27.105 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 1.635 -11.416 -27.093 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 2.291 -10.311 -27.966 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 1.189 -13.180 -27.107 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 0.846 -13.523 -26.257 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 0.949 -13.872 -27.756 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 -1.574 -12.956 -23.118 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 -0.929 -13.313 -23.766 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 -2.223 -13.684 -23.003 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 4.345 -15.705 -21.662 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 3.848 -16.564 -21.804 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 4.047 -15.401 -20.794 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 4.639 -12.976 -25.224 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 4.877 -12.947 -26.182 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 5.087 -12.195 -24.850 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 0.412 -14.330 -24.576 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 1.368 -14.301 -24.370 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 0.148 -15.238 -24.326 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 0.511 -17.017 -26.920 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 -0.459 -17.058 -26.783 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 0.626 -16.380 -27.655 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 -3.423 -7.535 -6.449 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 -4.215 -7.108 -6.795 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 -3.736 -8.410 -6.142 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 -3.094 -9.686 -2.599 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 -3.400 -9.856 -3.522 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 -3.900 -9.729 -2.072 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 -1.508 -4.641 -3.877 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 -2.372 -4.366 -3.548 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 -1.602 -5.613 -4.011 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 0.036 -8.316 -5.695 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 -0.555 -8.904 -6.206 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 -0.543 -7.939 -5.005 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 -0.153 -11.827 -9.030 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 -1.081 -11.795 -9.348 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 0.371 -11.978 -9.842 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 -2.210 -5.171 -9.385 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 -1.643 -4.415 -9.108 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 -2.512 -4.924 -10.285 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 2.307 0.144 -7.536 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 3.211 0.295 -7.183 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 2.197 0.830 -8.203 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 -0.553 -10.774 -2.252 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 -1.481 -10.447 -2.264 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 -0.014 -9.949 -2.267 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 -0.280 -3.303 -8.816 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 -0.221 -2.584 -8.154 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 0.110 -2.913 -9.631 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 1.795 -0.989 -3.266 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 1.193 -0.313 -2.934 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 1.201 -1.645 -3.710 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 -3.950 -7.278 -10.212 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 -3.432 -6.695 -9.630 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 -3.970 -6.806 -11.059 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 3.219 -8.422 -1.052 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 4.029 -7.950 -0.742 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 3.350 -9.338 -0.754 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 -1.298 -7.436 -8.308 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 -1.965 -7.638 -7.623 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 -1.580 -6.565 -8.664 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 1.131 -7.024 1.659 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 1.325 -6.884 0.724 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 0.581 -6.273 1.904 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 1.026 -2.504 -11.139 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 1.354 -3.398 -11.393 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 0.917 -2.041 -11.996 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 3.692 -11.281 1.653 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 3.698 -12.243 1.868 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 4.255 -10.879 2.356 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 0.736 -5.679 -2.515 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 1.435 -4.995 -2.440 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 -0.033 -5.194 -2.867 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 -0.422 -5.150 -13.066 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 -0.345 -4.610 -13.889 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 0.457 -5.056 -12.637 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 -2.154 -11.843 -14.149 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 -2.077 -11.357 -13.299 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 -1.401 -12.468 -14.133 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 -4.961 -9.785 -9.417 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 -4.525 -8.918 -9.590 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 -5.581 -9.885 -10.148 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 -1.539 -10.365 -6.721 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 -1.115 -11.011 -6.119 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 -1.295 -10.671 -7.612 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 -3.804 -9.952 -5.205 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 -3.038 -10.200 -5.771 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 -4.589 -10.290 -5.700 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 2.581 -3.645 -2.666 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 3.467 -3.870 -2.292 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 2.493 -2.690 -2.507 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 -1.436 -10.349 -11.968 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 -1.324 -9.379 -11.882 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 -1.909 -10.611 -11.146 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 -2.957 -4.956 -12.000 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 -3.485 -4.368 -12.550 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 -2.081 -4.983 -12.448 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 0.013 -1.232 -6.986 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 0.895 -0.811 -7.125 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 -0.611 -0.504 -7.073 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 -1.987 -7.320 -4.103 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 -2.535 -7.395 -4.916 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 -2.356 -7.993 -3.503 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 1.766 -5.200 -9.085 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 1.561 -6.122 -8.832 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 0.953 -4.702 -8.863 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 -2.722 -11.434 -9.856 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 -3.530 -10.978 -9.545 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 -3.063 -12.196 -10.388 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 2.428 -8.851 3.213 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 1.925 -8.141 2.753 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 2.465 -9.568 2.570 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 2.795 -7.642 -15.011 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 1.961 -8.042 -14.673 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 2.535 -7.231 -15.861 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 2.011 -4.944 -11.745 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 2.649 -5.590 -12.115 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 2.061 -5.090 -10.771 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 0.321 -2.754 -4.694 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 0.059 -2.336 -5.542 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 -0.422 -3.364 -4.484 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 1.352 -7.898 -8.536 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 0.380 -7.866 -8.347 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 1.433 -8.564 -9.231 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 2.602 -9.561 -12.090 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 2.277 -10.442 -11.829 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 1.979 -9.279 -12.796 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 8.305 -7.977 0.487 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 8.805 -7.373 1.071 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 8.079 -8.738 1.064 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 0.833 -8.380 -2.246 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 1.573 -8.293 -1.606 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 0.585 -7.448 -2.449 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 3.956 -8.910 5.418 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 3.331 -8.904 6.151 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 3.386 -8.789 4.616 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 1.361 -12.154 -6.748 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 0.869 -12.109 -7.598 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 0.665 -12.278 -6.075 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 2.622 -11.195 -0.855 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 1.674 -11.007 -0.863 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 2.853 -11.241 0.101 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 5.966 -15.026 -3.087 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 5.716 -15.888 -2.696 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 5.378 -14.383 -2.649 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 -0.852 -13.646 -1.345 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 -0.556 -12.765 -1.635 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 -1.664 -13.473 -0.857 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 -5.805 -10.589 -6.902 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 -6.662 -11.005 -7.044 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 -5.515 -10.320 -7.800 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 -3.365 -13.509 -11.505 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 -2.635 -14.130 -11.590 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 -4.017 -13.819 -12.165 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 9.987 -36.474 -33.657 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 9.461 -36.936 -32.976 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 9.333 -35.923 -34.131 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 8.069 -34.886 -34.937 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 7.736 -35.245 -35.782 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 7.271 -34.504 -34.515 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 10.289 -33.298 -35.407 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 10.881 -33.431 -34.631 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 9.464 -33.767 -35.159 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 6.355 -37.688 -35.560 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 6.338 -36.881 -36.121 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 6.464 -38.406 -36.185 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 8.617 -37.764 -31.607 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 8.182 -37.523 -30.754 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 8.805 -38.724 -31.515 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 10.837 -44.018 -32.504 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 10.692 -44.938 -32.740 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 11.775 -43.984 -32.233 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 10.783 -34.494 -37.804 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 10.695 -33.941 -36.991 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 10.994 -35.373 -37.468 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 6.476 -35.494 -37.163 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 5.765 -34.824 -37.157 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 7.078 -35.196 -37.888 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 14.742 -33.659 -29.646 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 15.273 -33.433 -30.431 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 15.305 -34.283 -29.144 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 5.281 -36.954 -30.512 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 6.098 -37.077 -29.990 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 5.466 -37.414 -31.359 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 12.322 -36.507 -31.862 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 12.009 -36.711 -32.761 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 13.274 -36.753 -31.870 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 12.718 -39.198 -30.378 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 13.314 -38.987 -31.110 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 13.276 -39.080 -29.577 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 5.634 -33.960 -34.072 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 5.993 -33.141 -33.657 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 5.130 -34.384 -33.364 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 8.216 -34.382 -38.892 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 8.041 -33.504 -39.284 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 9.134 -34.322 -38.569 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 11.812 -33.948 -33.189 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 11.480 -34.665 -32.620 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 12.704 -33.787 -32.870 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 16.869 -30.216 -31.480 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 16.531 -31.050 -31.859 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 16.826 -30.359 -30.518 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 7.168 -32.313 -40.410 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 6.326 -32.392 -39.902 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 7.082 -32.965 -41.111 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 10.625 -30.493 -39.212 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 10.819 -31.374 -39.607 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 9.837 -30.175 -39.713 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 16.534 -39.959 -27.984 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 16.751 -39.714 -27.058 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 16.138 -40.854 -27.903 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 10.035 -37.508 -23.887 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 10.125 -38.203 -23.176 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 10.541 -36.758 -23.542 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 12.201 -38.571 -25.196 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 11.323 -38.268 -24.896 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 12.830 -37.951 -24.744 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 6.664 -43.997 -27.574 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 7.497 -44.015 -28.108 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 6.406 -44.924 -27.512 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 3.106 -41.453 -23.857 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 2.984 -42.423 -23.887 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 2.797 -41.144 -24.730 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 13.291 -43.297 -23.111 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 12.992 -42.359 -23.221 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 12.457 -43.808 -23.048 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 9.507 -43.810 -25.167 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 9.997 -43.692 -26.000 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 10.160 -44.211 -24.559 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 7.899 -42.707 -23.329 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 8.408 -43.119 -24.071 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 8.571 -42.541 -22.647 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 15.042 -37.275 -26.111 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 14.596 -36.962 -25.286 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 15.599 -38.020 -25.811 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 15.106 -42.209 -27.291 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 14.559 -42.313 -28.101 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 14.654 -42.762 -26.631 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 11.301 -43.172 -27.291 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 11.206 -42.207 -27.090 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 12.100 -43.444 -26.786 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 18.181 -44.140 -18.762 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 18.266 -43.553 -19.546 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 18.855 -44.840 -18.912 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 13.526 -43.990 -31.783 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 14.159 -44.713 -31.688 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 14.007 -43.315 -32.280 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 16.735 -37.872 -23.174 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 16.165 -38.426 -22.602 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 16.218 -37.036 -23.290 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 7.811 -41.447 -27.074 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 8.780 -41.408 -27.126 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 7.595 -42.368 -27.325 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 13.296 -42.731 -29.245 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 12.449 -42.880 -28.790 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 13.181 -43.157 -30.112 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 8.714 -41.153 -20.021 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 9.327 -40.594 -20.538 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 8.003 -40.537 -19.748 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 8.885 -38.804 -26.058 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 8.092 -38.329 -26.408 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 9.154 -38.278 -25.275 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 18.036 -33.209 -29.805 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 17.544 -32.449 -29.424 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 18.932 -33.131 -29.410 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 17.912 -41.595 -15.039 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 17.873 -40.684 -15.391 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 17.487 -42.142 -15.742 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 14.848 -37.265 -31.150 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 15.635 -36.685 -31.223 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 14.842 -37.537 -30.211 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 6.837 -43.901 -16.425 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 6.483 -44.445 -17.144 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 7.611 -43.455 -16.819 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 6.934 -39.842 -29.206 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 7.227 -38.926 -28.998 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 7.278 -40.377 -28.464 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 13.481 -43.937 -25.781 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 13.474 -43.627 -24.848 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 13.780 -44.850 -25.723 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 12.480 -44.575 -18.082 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 13.271 -44.049 -18.333 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 12.095 -44.838 -18.924 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 5.274 -45.932 -18.437 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 4.853 -46.531 -17.814 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 4.726 -45.112 -18.393 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 15.338 -42.316 -21.356 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 14.702 -42.796 -21.926 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 15.195 -41.370 -21.584 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 9.039 -43.756 -28.760 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 9.107 -43.278 -29.617 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 9.926 -43.657 -28.359 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 7.325 -40.467 -31.833 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 6.675 -39.904 -32.287 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 7.137 -40.328 -30.878 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 6.883 -40.647 -16.620 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 6.871 -40.073 -17.413 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 7.600 -41.287 -16.801 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 10.971 -44.813 -23.058 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 10.576 -44.298 -22.312 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 10.767 -45.730 -22.845 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 12.648 -40.721 -23.582 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 12.263 -40.343 -22.752 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 12.473 -40.033 -24.255 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 18.054 -42.374 -20.857 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 17.082 -42.404 -20.987 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 18.367 -41.795 -21.554 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 2.758 -37.901 -23.383 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 3.092 -37.760 -24.300 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 2.735 -37.011 -23.006 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 12.095 -42.009 -19.718 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 12.254 -41.144 -20.178 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 12.935 -42.189 -19.254 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 20.592 -39.544 -16.157 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 19.624 -39.428 -16.154 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 20.791 -39.935 -15.283 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 16.075 -35.529 -27.947 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 15.579 -36.129 -27.349 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 16.670 -36.129 -28.441 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 16.624 -39.454 -25.322 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 16.806 -38.900 -24.527 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 16.298 -40.287 -24.960 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 6.202 -38.032 -32.880 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 6.170 -37.892 -33.857 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 7.137 -37.882 -32.649 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 17.681 -37.558 -29.022 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 17.412 -38.484 -28.867 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 18.329 -37.374 -28.303 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 19.113 -36.865 -26.808 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 18.921 -37.207 -25.931 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 19.405 -35.945 -26.649 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 4.672 -38.976 -27.696 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 5.440 -38.391 -27.463 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 4.959 -39.424 -28.511 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 14.884 -39.758 -22.236 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 14.386 -39.955 -23.047 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 14.177 -39.527 -21.579 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 17.121 -35.630 -30.879 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 17.484 -36.381 -30.360 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 17.530 -34.840 -30.472 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 5.072 -36.579 -15.736 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 4.612 -37.444 -15.874 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 5.800 -36.596 -16.384 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 10.070 -39.817 -30.303 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 11.050 -39.859 -30.341 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 9.783 -40.735 -30.496 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 14.488 -38.296 -28.558 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 15.228 -38.939 -28.471 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 14.434 -37.878 -27.671 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 4.387 -41.717 -16.250 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 4.515 -42.117 -15.370 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 5.289 -41.444 -16.520 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 10.816 -40.573 -26.708 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 10.045 -39.982 -26.553 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 11.565 -40.084 -26.319 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 10.093 -43.257 -21.032 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 9.398 -42.689 -20.641 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 10.928 -42.909 -20.638 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 9.268 -42.320 -31.062 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 9.730 -42.864 -31.739 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 8.554 -41.867 -31.561 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 14.532 -42.866 -18.764 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 15.277 -42.700 -18.155 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 14.916 -42.718 -19.657 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 15.787 -41.535 -13.311 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 16.515 -41.628 -13.953 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 14.974 -41.593 -13.860 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 5.733 -42.899 -14.130 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 6.186 -43.244 -14.937 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 5.692 -43.658 -13.540 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 11.487 -43.184 -15.995 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 11.840 -43.690 -16.768 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 11.551 -43.805 -15.258 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 4.789 -33.493 -28.568 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 4.125 -34.086 -28.978 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 4.749 -33.709 -27.625 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 22.610 -39.849 -18.048 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 22.468 -39.131 -18.705 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 21.801 -39.839 -17.505 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 20.967 -44.493 -16.607 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 21.837 -44.553 -16.144 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 20.962 -43.605 -16.989 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 16.622 -43.157 -16.839 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 16.057 -43.913 -16.649 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 17.239 -43.488 -17.544 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 5.913 -46.099 -21.117 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 6.008 -47.042 -21.278 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 5.710 -46.038 -20.158 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 5.542 -43.768 -22.429 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 6.427 -43.498 -22.753 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 5.700 -44.642 -21.996 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 16.815 -34.364 -25.565 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 16.504 -34.728 -26.425 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 16.250 -34.821 -24.890 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 19.492 -34.249 -25.976 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 18.513 -34.267 -25.858 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 19.819 -33.842 -25.166 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 10.986 -40.839 -3.165 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 11.845 -40.872 -3.608 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 10.746 -41.786 -3.038 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 8.428 -40.092 -3.912 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 9.340 -40.360 -3.669 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 8.506 -39.808 -4.848 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 12.726 -36.140 -5.432 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 12.985 -36.457 -6.331 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 12.178 -36.863 -5.079 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 11.009 -43.837 -7.770 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 10.718 -44.485 -7.123 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 11.915 -44.129 -8.011 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 15.298 -41.046 -3.408 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 14.572 -40.990 -4.064 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 15.807 -41.812 -3.684 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 7.805 -36.423 -13.163 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 8.225 -37.122 -13.722 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 6.893 -36.737 -13.040 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 20.262 -37.673 -2.970 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 21.005 -38.164 -2.554 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 20.530 -36.737 -2.900 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 9.002 -42.316 -17.423 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 9.055 -42.005 -18.355 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 9.868 -42.736 -17.263 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 18.608 -38.021 -0.816 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 19.148 -38.002 -1.635 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 17.794 -38.507 -1.077 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 10.058 -41.320 -8.345 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 10.230 -42.270 -8.149 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 10.945 -40.965 -8.576 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 11.799 -38.765 -5.773 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 12.295 -39.530 -5.428 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 12.370 -38.416 -6.496 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 9.278 -39.453 -6.453 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 9.485 -40.196 -7.058 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 10.163 -39.138 -6.151 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 12.598 -40.408 -8.838 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 13.258 -40.823 -9.421 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 13.137 -39.875 -8.213 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 6.540 -40.234 -13.847 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 6.504 -40.173 -14.824 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 6.209 -41.135 -13.656 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 10.680 -36.061 -0.774 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 10.197 -36.807 -1.208 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 11.594 -36.372 -0.725 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 13.598 -44.867 -8.055 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 14.428 -44.382 -8.255 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 13.865 -45.790 -8.032 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 13.407 -41.007 -5.422 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 13.038 -41.689 -6.002 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 13.923 -40.419 -6.037 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 10.095 -43.429 -3.120 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 10.060 -44.346 -2.837 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 9.150 -43.182 -3.251 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 19.186 -31.029 2.867 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 20.028 -31.292 3.285 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 18.573 -31.758 3.085 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 7.505 -42.612 -3.358 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 6.591 -42.605 -3.064 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 7.698 -41.671 -3.566 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 16.278 -39.290 -1.567 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 15.922 -39.891 -2.262 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 15.702 -38.493 -1.620 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 17.941 -39.474 2.804 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 17.399 -39.753 3.542 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 17.506 -39.879 2.020 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 17.146 -40.517 -11.178 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 16.520 -40.616 -10.426 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 16.638 -40.853 -11.953 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 18.137 -35.265 -0.985 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 18.756 -34.838 -0.344 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 18.278 -36.224 -0.845 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 21.637 -45.801 -12.944 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 20.807 -45.467 -13.345 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 21.389 -46.644 -12.557 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 20.183 -39.021 1.289 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 19.470 -39.065 1.966 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 19.777 -38.517 0.551 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 22.434 -38.196 -5.807 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 21.815 -38.856 -6.166 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 22.958 -38.690 -5.149 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 9.245 -34.078 -5.855 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 8.797 -34.744 -6.397 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 10.127 -34.452 -5.699 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 11.184 -37.999 -9.381 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 11.903 -37.602 -8.845 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 11.435 -38.937 -9.447 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 10.259 -33.440 -1.712 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 9.497 -33.344 -2.318 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 10.275 -34.396 -1.493 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 14.873 -36.927 -1.817 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 14.941 -36.621 -2.739 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 15.064 -36.127 -1.287 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 4.591 -36.136 -12.963 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 3.635 -35.986 -12.804 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 4.639 -36.393 -13.907 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 13.728 -41.676 -15.140 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 13.886 -40.849 -15.647 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 13.027 -42.129 -15.636 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 15.440 -41.077 -9.072 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 15.601 -41.941 -8.653 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 15.277 -40.467 -8.317 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 6.802 -38.678 -11.446 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 6.603 -39.177 -12.265 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 7.070 -39.369 -10.804 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 6.093 -36.193 -10.506 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 6.224 -37.155 -10.640 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 5.460 -35.943 -11.208 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 17.288 -32.979 3.369 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 16.676 -33.380 3.994 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 18.061 -33.589 3.364 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 16.669 -40.731 0.726 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 15.911 -41.316 0.642 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 16.613 -40.150 -0.066 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 8.749 -38.661 -14.350 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 8.023 -39.260 -14.084 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 9.364 -39.239 -14.846 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 10.341 -40.515 -15.652 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 11.020 -41.100 -15.282 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 9.817 -41.097 -16.230 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 19.784 -42.331 -13.165 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 19.877 -43.267 -13.431 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 19.073 -41.988 -13.753 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 6.899 -39.263 -19.011 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 5.994 -39.310 -19.350 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 6.973 -38.356 -18.647 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 3.780 -31.503 -8.760 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 3.669 -31.804 -9.673 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 4.342 -32.181 -8.356 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 5.268 -34.106 -8.867 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 4.339 -34.163 -9.180 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 5.695 -34.894 -9.263 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 21.059 -36.140 5.070 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 20.598 -36.900 5.442 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 21.836 -36.539 4.599 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 20.135 -39.659 -6.679 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 19.686 -39.471 -5.845 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 19.599 -39.180 -7.354 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 19.698 -41.312 -10.620 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 19.784 -41.798 -11.470 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 18.800 -40.909 -10.671 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 19.478 -44.838 -14.343 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 19.936 -44.804 -15.215 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 18.541 -44.784 -14.566 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 16.056 -43.754 -8.697 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 16.181 -43.625 -9.647 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 16.962 -43.955 -8.362 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 20.210 -41.566 0.218 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 20.273 -40.680 0.631 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 19.272 -41.777 0.259 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 18.687 -44.135 -8.076 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 19.324 -44.853 -8.078 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 19.239 -43.325 -8.027 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 10.200 -34.492 1.611 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 10.516 -34.988 0.828 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 9.303 -34.819 1.748 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 15.265 -31.628 -2.481 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 14.408 -31.872 -2.068 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 15.873 -31.491 -1.712 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 8.591 -28.883 -2.465 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 9.468 -28.509 -2.590 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 8.442 -28.826 -1.499 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 15.292 -35.983 -4.379 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 15.667 -36.687 -4.927 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 14.367 -35.889 -4.710 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 8.141 -37.749 -8.318 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 8.556 -38.129 -7.516 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 7.754 -38.522 -8.766 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 7.683 -40.319 -9.403 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 7.090 -40.902 -8.914 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 8.583 -40.658 -9.188 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 9.793 -38.326 -2.105 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 9.011 -38.644 -2.586 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 10.440 -39.046 -2.207 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 5.583 -31.838 -11.575 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 5.851 -32.724 -11.902 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 6.115 -31.717 -10.761 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 19.776 -34.163 0.846 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 20.722 -33.942 0.783 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 19.629 -34.308 1.798 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 23.103 -37.500 3.996 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 22.985 -38.271 3.397 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 24.073 -37.371 4.030 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 21.549 -32.099 3.863 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 21.672 -32.476 4.766 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 22.110 -31.287 3.864 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 19.710 -34.196 3.612 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 20.376 -33.496 3.764 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 20.093 -34.988 4.046 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 16.667 -20.784 -45.443 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 16.069 -20.592 -44.697 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 17.501 -21.063 -45.016 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 19.686 -22.459 -37.623 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 19.127 -21.718 -37.308 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 19.431 -22.558 -38.568 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 5.502 -24.311 -37.572 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 6.345 -23.970 -37.957 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 5.792 -24.841 -36.798 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 17.652 -20.108 -41.972 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 16.732 -20.106 -42.316 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 18.181 -20.487 -42.708 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 6.414 -18.981 -39.199 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 6.021 -18.793 -38.311 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 5.656 -18.994 -39.792 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 13.528 -13.267 -38.734 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 14.044 -12.638 -39.268 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 14.003 -13.299 -37.883 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 22.296 -26.856 -39.127 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 22.857 -26.158 -38.733 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 21.880 -27.291 -38.355 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 7.725 -27.443 -34.213 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 8.398 -27.700 -34.876 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 7.141 -28.241 -34.136 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 15.197 -19.864 -43.243 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 15.002 -18.938 -43.422 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 14.308 -20.295 -43.213 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 10.162 -23.087 -37.193 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 10.823 -22.834 -37.870 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 10.052 -22.276 -36.651 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 4.940 -28.376 -36.235 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 5.149 -28.653 -35.301 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 5.671 -28.772 -36.767 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 5.196 -18.179 -36.898 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 4.776 -17.301 -36.814 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 5.557 -18.354 -36.011 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 18.019 -15.735 -43.822 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 17.860 -16.352 -43.077 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 18.292 -16.322 -44.565 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 17.762 -17.342 -41.598 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 18.635 -17.104 -41.187 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 17.800 -18.320 -41.690 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 23.774 -23.942 -34.788 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 23.069 -23.566 -35.345 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 24.491 -24.126 -35.408 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 22.503 -22.650 -37.173 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 22.680 -21.699 -37.094 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 21.549 -22.697 -37.391 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 10.627 -21.034 -41.386 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 11.087 -21.495 -40.660 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 9.700 -20.997 -41.092 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 11.856 -21.732 -38.990 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 12.755 -21.397 -39.075 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 11.348 -20.972 -38.622 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 10.151 -19.925 -37.889 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 10.234 -18.944 -37.928 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 9.975 -20.114 -36.941 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 7.441 -23.664 -34.097 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 7.191 -22.728 -34.223 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 6.817 -24.159 -34.657 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 12.625 -20.782 -43.290 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 11.913 -20.769 -42.611 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 12.290 -21.375 -43.969 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 9.737 -20.968 -35.396 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 8.792 -20.857 -35.141 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 10.209 -20.966 -34.553 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 1.752 -22.134 -32.995 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 1.159 -22.748 -32.512 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 1.993 -22.617 -33.794 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 16.158 -21.524 -34.478 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 16.570 -20.859 -33.903 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 16.574 -21.383 -35.338 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 7.241 -20.647 -34.293 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 6.937 -19.714 -34.337 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 7.503 -20.769 -33.352 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 8.406 -29.896 -40.658 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 7.663 -29.290 -40.753 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 7.984 -30.781 -40.583 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 12.357 -28.409 -39.120 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 12.489 -28.355 -40.069 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 11.752 -29.179 -39.006 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 13.925 -27.704 -34.418 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 13.302 -28.215 -33.854 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 13.543 -26.803 -34.432 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 9.922 -24.618 -34.930 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 9.111 -24.258 -34.511 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 9.994 -24.126 -35.778 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 5.974 -25.833 -35.385 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 6.750 -26.278 -34.969 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 5.399 -26.574 -35.658 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 16.602 -27.359 -34.696 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 16.601 -27.145 -35.632 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 15.673 -27.630 -34.510 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 7.878 -23.648 -38.614 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 8.700 -23.620 -38.081 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 7.907 -22.820 -39.137 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 3.045 -27.024 -37.666 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 3.738 -27.501 -37.150 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 3.519 -26.711 -38.467 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 17.023 -18.842 -47.302 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 16.493 -19.042 -48.078 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 16.863 -19.604 -46.697 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 18.703 -22.137 -40.198 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 18.311 -21.453 -40.771 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 18.824 -22.908 -40.790 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 10.283 -14.997 -42.121 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 9.656 -14.413 -42.553 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 10.699 -14.435 -41.430 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 8.306 -21.057 -39.613 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 7.598 -20.382 -39.576 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 8.984 -20.722 -38.991 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 12.471 -27.103 -36.784 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 12.457 -27.484 -37.697 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 13.106 -27.664 -36.304 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 12.612 -25.307 -34.727 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 11.690 -25.031 -34.557 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 12.571 -25.740 -35.606 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 18.245 -28.117 -32.652 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 17.763 -28.857 -32.218 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 17.678 -27.880 -33.416 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 19.058 -21.100 -44.112 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 19.623 -20.336 -44.379 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 19.659 -21.855 -44.131 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 7.039 -15.715 -36.080 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 7.282 -16.066 -36.966 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 6.073 -15.555 -36.143 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 6.208 -25.609 -32.227 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 6.856 -24.922 -32.463 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 6.591 -26.429 -32.583 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 8.014 -27.117 -38.318 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 8.152 -26.276 -38.769 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 8.660 -27.101 -37.577 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 9.729 -27.042 -36.200 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 10.653 -27.250 -36.452 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 9.809 -26.227 -35.661 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 11.033 -33.038 -40.095 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 11.067 -33.548 -39.256 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 11.040 -33.711 -40.780 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 16.326 -32.942 -31.933 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 17.058 -33.005 -31.287 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 16.404 -33.749 -32.456 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 9.047 -31.294 -37.022 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 9.513 -31.908 -36.423 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 9.725 -31.035 -37.675 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 20.681 -18.999 -44.787 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 21.136 -18.672 -45.592 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 21.341 -18.867 -44.070 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 25.431 -21.614 -44.079 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 25.576 -21.616 -43.103 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 25.482 -22.540 -44.325 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 20.313 -23.158 -35.022 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 20.726 -22.308 -34.758 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 20.023 -23.002 -35.945 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 19.346 -24.423 -41.558 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 18.922 -25.203 -41.930 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 20.110 -24.770 -41.083 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 23.896 -24.979 -37.831 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 23.451 -24.109 -37.729 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 24.705 -24.777 -38.356 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 6.979 -29.548 -37.619 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 7.537 -28.786 -37.890 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 7.632 -30.244 -37.361 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 5.420 -28.877 -39.793 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 5.362 -27.911 -39.657 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 6.012 -29.187 -39.073 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 14.570 -13.178 -44.587 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 15.369 -13.504 -45.071 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 13.885 -13.148 -45.259 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 4.803 -32.701 -39.161 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 4.126 -32.003 -39.195 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 4.721 -33.071 -38.260 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 6.547 -17.853 -34.375 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 6.928 -17.146 -34.936 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 6.219 -17.376 -33.589 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 7.866 -16.682 -38.503 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 8.792 -17.002 -38.437 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 7.388 -17.426 -38.920 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 9.213 -14.292 -38.240 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 8.581 -15.000 -38.491 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 9.795 -14.715 -37.592 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 10.518 -17.244 -38.302 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 11.247 -16.648 -38.009 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 10.630 -17.295 -39.286 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 12.485 -15.501 -37.546 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 12.664 -14.720 -38.108 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 13.264 -15.564 -36.980 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 10.602 -17.453 -40.984 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 10.493 -16.603 -41.470 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 10.608 -18.123 -41.677 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 18.721 -17.314 -45.870 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 19.286 -18.017 -45.491 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 18.078 -17.803 -46.443 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 16.717 -31.059 -28.708 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 17.115 -30.924 -27.833 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 15.775 -31.221 -28.518 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 20.089 -19.672 -22.761 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 19.717 -20.432 -23.261 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 19.314 -19.100 -22.587 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 19.707 -27.646 -22.335 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 18.804 -27.890 -22.592 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 20.156 -28.503 -22.199 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 19.062 -27.589 -19.003 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 19.409 -26.684 -19.193 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 18.327 -27.695 -19.632 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 17.680 -18.365 -22.143 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 16.829 -18.769 -21.876 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 17.428 -17.482 -22.471 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 17.340 -20.360 -28.925 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 18.079 -19.923 -29.427 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 17.797 -20.885 -28.237 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 15.587 -22.298 -26.110 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 14.910 -23.002 -26.051 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 15.107 -21.491 -25.894 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 19.548 -20.302 -17.801 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 19.248 -19.430 -17.473 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 18.922 -20.512 -18.521 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 21.554 -22.778 -20.584 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 22.138 -23.087 -21.311 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 21.918 -21.906 -20.345 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 19.277 -21.778 -24.288 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 18.797 -21.702 -25.134 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 20.101 -22.271 -24.524 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 15.456 -19.571 -21.017 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 16.155 -19.912 -20.418 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 14.975 -20.358 -21.292 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 20.229 -32.701 -28.188 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 19.992 -33.331 -27.480 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 20.841 -32.080 -27.759 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 18.059 -19.105 -14.429 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 18.827 -19.695 -14.580 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 17.428 -19.668 -13.922 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 17.241 -13.270 -16.792 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 17.258 -12.787 -15.953 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 18.187 -13.332 -17.055 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 18.964 -22.456 -21.476 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 18.998 -22.458 -22.450 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 19.876 -22.686 -21.203 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 18.192 -24.525 -33.690 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 18.917 -23.979 -34.054 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 18.478 -25.438 -33.854 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 22.278 -25.032 -26.977 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 22.010 -24.618 -27.805 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 21.692 -25.828 -26.902 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 23.915 -21.221 -18.135 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 23.159 -21.231 -17.512 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 23.546 -20.816 -18.949 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 16.883 -21.432 -31.398 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 16.931 -21.096 -30.478 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 17.327 -20.735 -31.927 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 15.548 -15.382 -19.916 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 14.606 -15.636 -20.028 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 16.015 -15.910 -20.578 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 20.377 -15.860 -31.457 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 21.293 -15.611 -31.720 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 20.492 -16.695 -30.936 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 16.447 -16.003 -23.049 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 15.532 -15.645 -22.977 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 16.515 -16.285 -23.989 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 3.867 -16.460 -25.622 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 4.527 -15.930 -26.084 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 3.466 -15.842 -24.984 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 21.958 -14.996 -22.275 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 21.359 -15.009 -21.492 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 22.595 -14.303 -22.070 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 18.598 -17.879 -16.859 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 18.319 -18.223 -15.984 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 17.890 -17.234 -17.100 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 22.810 -19.802 -23.272 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 21.848 -19.961 -23.145 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 22.865 -18.834 -23.465 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 17.881 -20.444 -20.055 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 18.227 -19.727 -20.613 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 18.187 -21.270 -20.508 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 17.969 -19.305 -32.767 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 17.856 -18.383 -33.012 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 18.533 -19.270 -31.948 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 18.173 -22.087 -26.871 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 17.216 -22.152 -26.631 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 18.478 -23.000 -26.871 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 20.795 -28.100 -31.687 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 21.333 -27.636 -32.356 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 19.884 -28.097 -32.067 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 17.977 -29.752 -24.137 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 17.645 -30.466 -24.722 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 18.873 -29.563 -24.478 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 16.929 -31.651 -25.798 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 16.990 -32.615 -25.627 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 16.028 -31.532 -26.163 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 20.854 -28.996 -29.147 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 20.406 -29.847 -29.241 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 20.842 -28.615 -30.063 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 15.797 -16.748 -25.665 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 14.849 -16.562 -25.654 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 15.882 -17.519 -26.278 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 9.507 -13.830 -16.288 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 9.204 -14.755 -16.159 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 9.841 -13.817 -17.205 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 12.452 -12.798 -19.553 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 12.866 -12.411 -20.352 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 13.195 -12.886 -18.922 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 13.051 -16.217 -20.869 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 13.131 -17.147 -21.116 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 13.318 -15.727 -21.681 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 13.628 -11.500 -21.695 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 13.631 -11.947 -22.564 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 14.344 -10.831 -21.773 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 20.659 -29.391 -24.988 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 21.117 -29.321 -24.138 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 21.196 -30.033 -25.498 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 20.783 -15.219 -28.597 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 20.456 -14.294 -28.674 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 20.514 -15.635 -29.435 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 16.771 -15.940 -17.484 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 16.308 -15.821 -18.335 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 16.842 -15.036 -17.122 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 10.767 -23.786 -6.058 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 10.787 -24.234 -5.183 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 10.104 -24.270 -6.555 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 19.688 -30.685 0.215 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 19.733 -29.705 0.093 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 19.531 -30.799 1.180 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 8.412 -28.486 0.304 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 7.677 -28.820 0.832 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 9.216 -28.784 0.796 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 6.204 -22.968 -0.473 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 5.907 -23.862 -0.270 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 6.209 -22.934 -1.453 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 13.030 -32.613 -1.152 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 12.259 -33.002 -1.609 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 12.637 -32.120 -0.408 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 18.806 -20.476 0.058 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 19.509 -20.516 0.712 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 18.234 -19.736 0.361 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 19.950 -28.023 -0.103 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 19.011 -27.716 -0.153 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 20.383 -27.361 0.444 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 17.462 -24.480 -1.452 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 18.043 -24.283 -2.193 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 16.716 -24.981 -1.861 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 4.434 -19.600 -1.129 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 3.489 -19.368 -1.206 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 4.495 -20.078 -0.272 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 16.102 -17.480 -13.177 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 16.698 -17.189 -12.461 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 16.705 -17.831 -13.856 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 6.738 -22.928 -3.192 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 6.380 -23.192 -4.070 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 7.350 -23.665 -2.953 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 5.995 -17.683 -2.435 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 5.136 -18.100 -2.246 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 6.624 -18.424 -2.428 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 14.226 -15.651 -12.319 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 14.754 -16.277 -12.864 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 13.935 -16.189 -11.560 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 13.771 -17.428 -10.021 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 12.993 -17.998 -10.048 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 14.523 -18.052 -10.117 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 6.523 -18.332 0.391 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 6.352 -19.136 0.927 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 5.919 -18.423 -0.365 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 8.505 -31.534 -6.969 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 8.147 -31.003 -6.224 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 8.814 -32.357 -6.547 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 15.221 -29.067 -3.642 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 15.271 -29.997 -3.352 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 15.338 -29.112 -4.611 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 12.425 -26.041 -1.964 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 12.266 -26.818 -1.395 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 12.842 -25.388 -1.353 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 13.642 -29.267 3.776 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 13.432 -30.121 4.219 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 14.376 -29.482 3.183 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 8.124 -25.138 -2.328 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 7.805 -25.985 -2.675 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 8.501 -25.367 -1.446 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 5.566 -28.433 -5.678 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 6.101 -29.129 -5.260 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 4.799 -28.910 -6.052 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 5.534 -20.809 1.137 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 5.260 -21.077 2.040 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 5.758 -21.653 0.694 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 10.582 -24.920 -3.608 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 11.181 -25.391 -2.989 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 9.725 -24.904 -3.146 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 15.747 -26.120 -2.690 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 15.969 -26.677 -3.458 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 15.347 -26.746 -2.047 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 4.605 -21.513 3.642 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 4.187 -22.158 4.221 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 3.880 -20.870 3.436 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 10.609 -23.507 -0.398 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 10.093 -24.324 -0.277 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 9.935 -22.801 -0.439 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 17.171 -22.661 0.591 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 17.811 -21.978 0.309 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 17.289 -23.383 -0.062 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 19.811 -21.254 -14.504 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 20.487 -21.230 -15.206 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 19.502 -22.192 -14.505 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 16.240 -16.090 -0.096 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 15.644 -15.403 0.269 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 17.032 -15.593 -0.384 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 19.907 -13.737 -17.510 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 20.166 -14.676 -17.336 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 20.654 -13.223 -17.183 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 17.930 -19.167 -10.739 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 18.077 -18.224 -10.948 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 18.690 -19.625 -11.145 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 6.836 -20.372 -2.256 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 6.812 -21.279 -2.638 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 5.943 -20.255 -1.860 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 13.710 -24.962 -4.113 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 13.217 -25.511 -3.469 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 14.644 -25.105 -3.873 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 13.137 -24.358 0.049 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 13.661 -23.685 0.525 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 12.227 -23.988 0.035 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 17.083 -31.532 -0.462 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 18.051 -31.410 -0.357 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 16.708 -31.179 0.375 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 18.694 -14.998 -0.983 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 19.039 -15.910 -1.140 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 18.922 -14.519 -1.789 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 8.055 -33.110 -3.558 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 8.477 -33.468 -4.370 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 7.168 -33.491 -3.565 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 4.070 -13.912 2.228 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 4.734 -14.466 1.752 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 4.478 -13.756 3.109 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 14.401 -14.706 4.808 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 14.543 -14.605 5.769 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 14.190 -15.658 4.697 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 2.398 -20.012 3.025 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 1.503 -19.983 3.372 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 2.410 -19.310 2.333 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 14.253 -17.549 -1.455 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 13.437 -17.014 -1.385 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 14.953 -16.969 -1.089 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 14.942 -19.885 -0.261 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 14.692 -19.024 -0.667 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 15.831 -19.721 0.107 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 8.626 -21.632 -0.595 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 7.909 -22.208 -0.260 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 8.169 -21.019 -1.205 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 13.710 -22.008 3.670 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 13.966 -22.125 2.729 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 14.205 -22.686 4.134 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 9.258 -25.900 0.028 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 8.898 -26.811 0.100 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 9.800 -25.795 0.850 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 10.592 -29.399 1.651 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 10.729 -30.282 1.236 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 10.995 -29.484 2.526 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 12.974 -31.660 4.897 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 12.386 -32.345 4.509 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 12.877 -31.778 5.846 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 14.570 -22.222 1.087 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 14.587 -21.342 0.652 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 15.501 -22.544 1.006 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 10.677 -25.749 2.298 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 10.182 -25.111 2.857 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 11.365 -26.111 2.903 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 11.267 -33.685 4.092 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 10.928 -33.931 3.208 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 11.067 -34.448 4.642 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 12.207 -27.500 0.382 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 12.074 -26.690 0.908 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 11.642 -28.165 0.822 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 14.824 -27.835 -0.707 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 14.001 -27.697 -0.193 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 14.646 -28.624 -1.234 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 16.372 -30.652 2.052 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 17.109 -30.068 2.288 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 16.559 -31.478 2.541 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 10.799 -31.903 0.528 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 10.503 -32.241 -0.344 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 10.663 -32.658 1.131 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 3.749 -16.908 -5.574 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 3.173 -16.144 -5.500 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 3.257 -17.627 -5.117 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 19.543 -17.529 -1.595 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 18.942 -18.271 -1.438 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 20.374 -17.947 -1.851 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 19.438 -23.930 -14.826 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 20.169 -24.205 -15.422 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 18.985 -24.759 -14.605 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 22.292 -19.972 -10.044 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 22.699 -20.802 -9.733 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 21.430 -20.247 -10.398 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 22.993 -20.938 -4.411 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 23.610 -21.616 -4.781 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 22.565 -20.564 -5.184 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 17.100 -18.539 0.877 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 16.864 -17.674 0.470 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 16.746 -18.480 1.774 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 20.215 -20.461 -11.921 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 19.927 -20.842 -12.782 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 20.639 -19.608 -12.169 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 5.778 -23.206 -5.720 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 5.907 -24.098 -6.111 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 4.815 -23.038 -5.818 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 17.454 -27.030 -0.162 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 17.407 -26.093 -0.420 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 16.530 -27.348 -0.244 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 24.148 -29.896 1.233 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 24.478 -29.053 0.855 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 23.468 -30.196 0.596 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 7.625 -30.491 -4.514 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 7.705 -31.354 -4.064 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 7.930 -29.844 -3.840 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 5.491 -25.878 -6.617 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 4.527 -25.693 -6.586 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 5.587 -26.745 -6.152 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 22.278 -31.013 -0.500 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 22.351 -30.840 -1.461 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 21.315 -30.901 -0.309 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 3.614 -29.509 -13.372 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 2.884 -29.641 -12.738 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 3.166 -29.255 -14.194 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 15.959 -21.285 -8.340 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 15.555 -20.835 -9.114 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 16.707 -20.722 -8.107 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 5.593 -15.712 0.842 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 5.962 -16.613 0.913 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 4.996 -15.761 0.074 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 12.557 -16.262 1.812 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 13.131 -15.698 1.252 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 12.446 -17.088 1.292 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 22.305 -33.115 1.309 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 22.246 -32.304 0.763 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 22.052 -32.819 2.204 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 14.128 -14.307 0.574 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 13.790 -13.647 -0.062 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 14.296 -13.785 1.394 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 7.950 -15.940 -4.672 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 7.227 -15.827 -4.012 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 7.831 -15.182 -5.276 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 7.132 -32.159 -9.304 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 6.529 -32.867 -8.990 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 7.585 -31.852 -8.492 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 13.010 -12.992 -13.356 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 13.382 -13.846 -13.070 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 13.311 -12.896 -14.275 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 15.289 -19.725 -10.529 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 14.992 -20.083 -11.382 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 16.252 -19.547 -10.664 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 15.250 -34.334 -0.884 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 14.476 -33.738 -0.834 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 15.822 -34.044 -0.157 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 15.021 -11.642 6.401 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 14.438 -11.701 5.625 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 14.912 -10.721 6.708 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 14.516 -12.837 2.862 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 14.521 -13.560 3.538 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 14.055 -12.098 3.310 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 12.315 -19.695 3.659 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 11.424 -20.066 3.790 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 12.913 -20.473 3.758 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 11.356 -15.372 4.177 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 11.824 -15.594 3.344 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 11.772 -15.948 4.840 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 11.866 -14.243 7.427 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 12.828 -14.397 7.516 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 11.772 -13.289 7.515 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 9.845 -21.275 3.458 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 10.187 -22.187 3.451 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 8.921 -21.373 3.767 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 7.075 -21.098 6.905 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 7.603 -20.445 7.378 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 6.341 -21.287 7.500 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 14.677 -14.104 7.483 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 14.882 -13.189 7.179 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 15.375 -14.306 8.115 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 11.221 -12.666 4.797 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 12.084 -12.214 4.782 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 11.446 -13.621 4.777 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 7.320 -22.099 4.373 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 6.447 -21.889 3.987 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 7.266 -21.742 5.290 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 13.517 -17.246 4.211 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 13.324 -16.971 3.294 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 13.177 -18.162 4.259 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 9.581 -19.775 1.165 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 9.680 -20.231 2.031 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 9.241 -20.472 0.569 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 12.120 -18.856 1.021 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 12.410 -19.152 1.909 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 11.184 -19.145 0.970 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 9.292 -24.068 4.031 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 8.478 -23.524 4.052 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 9.412 -24.349 4.944 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 12.539 -26.788 3.987 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 13.179 -26.385 4.577 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 12.857 -27.715 3.888 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 5.383 -13.362 4.590 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 6.320 -13.659 4.494 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 5.140 -13.637 5.482 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 23.244 -29.959 3.762 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 23.640 -30.100 2.870 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 23.179 -28.979 3.837 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 8.022 -14.035 4.527 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 8.411 -13.171 4.276 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 8.474 -14.268 5.374 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 14.221 -8.965 6.112 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 15.134 -8.596 6.033 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 13.659 -8.175 6.247 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 13.301 -10.854 4.326 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 13.618 -10.133 4.918 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 12.601 -10.424 3.782 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 24.386 -10.103 -39.477 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 23.530 -10.008 -39.016 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 24.138 -10.204 -40.420 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 17.021 -9.751 -42.946 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 16.633 -10.627 -42.777 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 17.896 -9.949 -43.335 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 18.474 -8.782 -37.176 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 18.265 -7.928 -36.731 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 19.269 -9.103 -36.714 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 18.489 -13.346 -42.704 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 18.319 -14.174 -43.210 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 19.244 -13.571 -42.132 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 11.049 -13.370 -40.069 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 11.865 -13.248 -39.539 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 10.356 -13.573 -39.402 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 17.676 -6.234 -36.452 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 17.021 -5.866 -37.069 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 17.854 -5.498 -35.831 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 18.188 -11.282 -35.160 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 17.743 -10.916 -34.387 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 17.543 -11.165 -35.889 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 13.805 -10.351 -36.988 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 13.806 -9.405 -36.800 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 14.746 -10.565 -37.146 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 15.345 -8.333 -41.302 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 15.898 -8.674 -42.040 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 15.998 -8.120 -40.595 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 11.341 -10.625 -40.487 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 11.106 -11.565 -40.613 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 12.280 -10.572 -40.784 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 11.221 -6.356 -39.185 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 12.184 -6.463 -39.389 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 10.982 -5.528 -39.611 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 12.600 -4.218 -34.583 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 11.705 -4.501 -34.869 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 12.443 -3.736 -33.760 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 12.280 -6.884 -33.631 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 12.723 -6.086 -33.966 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 11.348 -6.757 -33.875 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 8.039 -15.453 -32.436 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 7.075 -15.543 -32.565 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 8.319 -14.838 -33.143 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 11.343 -11.325 -37.792 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 12.218 -11.029 -37.465 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 11.298 -10.970 -38.701 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 16.210 -12.631 -39.630 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 16.098 -12.326 -40.552 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 16.317 -13.597 -39.712 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 10.086 -5.395 -34.641 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 9.115 -5.439 -34.473 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 10.217 -5.984 -35.428 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 14.925 -4.065 -36.132 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 15.578 -3.777 -35.478 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 14.081 -4.103 -35.631 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 10.458 -7.117 -36.642 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 9.868 -7.888 -36.757 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 10.772 -6.919 -37.549 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 15.132 -7.341 -29.930 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 15.899 -7.058 -30.472 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 14.532 -7.771 -30.577 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 8.553 -9.222 -36.933 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 8.801 -9.054 -37.874 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 8.578 -10.199 -36.852 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 9.735 -8.702 -39.332 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 10.239 -7.872 -39.441 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 10.242 -9.360 -39.854 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 13.810 -6.453 -39.880 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 14.200 -7.128 -40.475 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 14.573 -6.081 -39.409 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 15.880 -5.153 -38.395 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 15.393 -4.820 -37.599 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 16.067 -4.355 -38.906 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 7.111 -8.451 -34.679 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 7.605 -8.749 -35.477 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 7.250 -9.164 -34.031 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 8.909 -11.959 -36.838 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 9.835 -11.703 -37.064 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 8.726 -12.716 -37.430 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 5.870 -10.742 -29.732 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 6.842 -10.783 -29.801 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 5.661 -11.362 -28.997 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 17.955 -3.783 -35.128 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 18.443 -3.121 -35.626 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 18.256 -3.652 -34.198 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 16.983 -7.604 -39.263 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 16.688 -6.761 -38.874 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 17.575 -7.986 -38.588 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 19.363 -11.002 -43.842 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 18.878 -11.810 -43.581 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 20.292 -11.201 -43.606 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 16.552 -10.944 -37.430 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 16.484 -11.506 -38.237 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 17.163 -10.228 -37.688 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 6.866 -10.241 -32.336 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 6.328 -10.231 -31.520 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 7.556 -10.900 -32.152 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 18.716 -10.824 -48.834 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 19.254 -10.669 -48.027 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 18.662 -9.964 -49.252 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 13.983 -10.712 -41.122 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 14.581 -11.233 -41.686 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 14.365 -9.808 -41.138 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 16.218 -15.442 -40.306 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 15.383 -15.356 -40.785 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 16.754 -16.050 -40.862 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 16.838 -14.053 -45.689 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 17.551 -13.711 -46.270 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 17.287 -14.698 -45.112 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 15.940 -12.286 -42.413 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 15.385 -12.609 -43.168 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 16.810 -12.723 -42.553 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 8.457 -13.803 -34.696 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 8.546 -13.057 -35.318 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 7.954 -14.477 -35.202 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 5.988 -8.307 -22.343 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 6.397 -7.875 -23.118 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 6.729 -8.776 -21.911 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 5.783 -7.791 -26.870 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 5.355 -7.502 -27.702 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 5.103 -8.350 -26.436 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 6.773 -6.763 -24.477 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 6.348 -7.039 -25.319 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 7.712 -6.712 -24.695 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 10.261 -6.425 -20.015 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 10.116 -7.249 -19.525 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 9.365 -6.037 -20.107 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 16.527 -9.088 -24.940 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 17.266 -9.711 -24.893 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 16.290 -9.076 -25.892 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 10.341 -8.234 -25.275 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 10.865 -7.625 -25.832 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 9.604 -8.515 -25.862 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 11.514 -4.974 -21.991 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 12.462 -5.197 -22.061 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 11.174 -5.585 -21.300 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 9.565 -3.169 -21.710 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 9.520 -2.734 -22.568 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 10.321 -3.806 -21.803 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 6.688 -2.387 -18.821 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 7.615 -2.305 -19.130 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 6.364 -3.206 -19.245 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 14.175 -6.975 -27.267 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 14.423 -6.834 -28.206 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 13.199 -6.840 -27.254 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 19.010 -7.809 -29.433 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 18.791 -8.047 -28.526 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 19.931 -8.146 -29.556 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 14.561 -5.832 -15.490 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 15.288 -6.299 -15.919 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 13.967 -6.552 -15.174 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 11.479 -6.581 -27.302 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 11.447 -6.707 -28.276 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 11.251 -5.629 -27.175 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 7.835 -9.775 -20.896 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 8.337 -10.303 -20.243 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 8.310 -9.924 -21.747 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 17.371 -7.042 -31.462 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 17.968 -7.444 -30.786 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 17.652 -7.440 -32.293 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 7.906 -4.986 -20.426 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 7.114 -5.184 -20.965 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 8.402 -4.334 -20.959 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 5.630 -0.022 -17.968 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 4.674 -0.150 -17.902 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 5.945 -0.824 -18.436 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 16.445 -15.005 -27.764 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 16.360 -15.628 -27.016 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 16.870 -15.525 -28.457 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 10.756 -4.561 -32.097 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 10.074 -5.116 -31.661 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 10.593 -4.700 -33.050 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 4.791 -4.550 -19.506 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 3.816 -4.471 -19.480 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 4.994 -4.731 -20.446 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 13.469 -1.777 -14.715 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 13.578 -0.904 -15.136 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 12.491 -1.924 -14.720 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 5.975 -2.715 -16.221 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 6.398 -2.046 -15.650 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 6.367 -2.558 -17.109 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 9.935 -13.759 -19.091 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 10.850 -13.397 -19.202 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 9.899 -14.502 -19.721 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 18.817 -4.871 -30.547 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 18.146 -5.490 -30.898 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 19.261 -5.374 -29.855 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 12.828 -8.323 -23.050 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 13.306 -7.716 -23.649 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 11.956 -8.430 -23.471 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 11.517 -7.193 -29.996 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 10.949 -6.732 -30.641 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 12.263 -7.523 -30.529 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 15.946 -9.017 -27.656 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 16.060 -8.811 -28.598 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 15.206 -8.435 -27.378 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 14.777 -6.969 -24.555 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 15.510 -7.613 -24.630 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 14.555 -6.752 -25.488 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 8.859 -11.219 -18.728 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 9.235 -12.119 -18.842 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 8.452 -11.240 -17.838 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 6.120 -10.630 -24.733 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 5.361 -10.075 -25.019 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 6.533 -10.934 -25.580 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 14.147 -3.470 -16.935 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 13.942 -2.865 -16.204 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 14.255 -4.337 -16.504 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 8.227 -9.057 -26.783 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 7.360 -8.599 -26.871 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 8.001 -10.019 -26.880 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 15.262 -9.450 -22.473 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 14.388 -9.048 -22.658 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 15.771 -9.302 -23.293 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 7.428 -5.815 -34.217 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 6.643 -5.382 -34.563 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 7.266 -6.775 -34.380 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 14.205 -5.699 -22.161 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 14.450 -6.039 -23.050 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 14.496 -6.391 -21.554 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 8.631 -9.871 -23.509 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 9.205 -9.336 -24.088 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 7.826 -10.026 -24.044 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 11.864 -3.453 -29.819 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 12.624 -2.976 -30.165 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 11.449 -3.850 -30.616 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 14.930 -1.787 -18.962 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 14.920 -2.249 -19.828 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 14.585 -2.456 -18.332 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 14.918 -12.936 -26.865 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 15.406 -13.689 -27.277 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 14.211 -12.724 -27.518 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 14.736 2.481 -31.002 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 15.385 3.151 -30.786 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 13.930 2.973 -31.171 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 5.523 -7.354 -15.181 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 5.585 -7.159 -16.136 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 4.579 -7.581 -15.048 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 13.735 2.187 -17.365 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 14.494 1.577 -17.521 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 13.819 2.846 -18.058 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 21.581 -8.695 -29.487 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 21.787 -9.644 -29.642 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 22.429 -8.308 -29.251 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 9.037 -6.557 -31.419 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 8.796 -7.184 -30.698 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 8.253 -6.535 -31.987 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 9.381 -1.800 -19.319 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 9.466 -2.261 -20.185 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 10.294 -1.664 -19.035 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 14.857 -3.146 -21.329 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 15.040 -2.750 -22.183 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 14.597 -4.065 -21.542 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 12.927 -9.736 -17.254 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 11.986 -9.615 -17.464 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 13.376 -9.591 -18.100 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 12.510 -9.304 -20.326 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 12.562 -8.690 -21.081 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 12.765 -10.166 -20.707 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 9.019 -8.240 -29.293 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 8.788 -8.572 -28.401 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 9.963 -8.011 -29.227 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 8.896 3.251 -13.518 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 8.918 4.125 -13.916 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 9.183 2.650 -14.237 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 10.810 -2.219 -14.634 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 10.133 -1.715 -14.150 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 10.318 -2.951 -15.046 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 5.110 -6.796 -17.888 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 5.266 -5.990 -18.427 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 4.146 -6.801 -17.748 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 11.070 -3.890 -27.264 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 11.355 -3.738 -28.197 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 10.963 -3.007 -26.905 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 15.820 0.551 -17.951 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 15.415 -0.251 -18.364 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 16.745 0.318 -17.848 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 4.790 -4.399 -14.487 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 5.204 -3.964 -15.262 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 4.331 -3.674 -14.029 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 13.551 -8.477 -31.869 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 13.150 -7.896 -32.561 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 13.862 -9.260 -32.370 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 6.582 -13.660 -15.025 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 6.658 -14.048 -15.915 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 6.866 -12.736 -15.146 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 10.518 -8.975 -18.485 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 11.192 -9.031 -19.205 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 9.928 -9.742 -18.652 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 12.974 -7.846 -14.582 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 12.248 -7.879 -15.242 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 12.994 -8.750 -14.207 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 14.177 -4.129 -13.288 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 14.468 -4.726 -14.010 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 14.091 -3.254 -13.723 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 8.145 -11.540 -15.975 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 8.679 -10.885 -15.505 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 8.717 -12.346 -15.999 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 10.129 -8.944 -13.423 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 10.290 -8.566 -14.304 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 10.962 -9.407 -13.206 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 10.670 -7.747 -16.024 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 10.547 -8.142 -16.917 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 10.535 -6.798 -16.164 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 14.195 -11.829 -15.896 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 13.698 -11.039 -16.204 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 14.386 -12.323 -16.718 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 5.850 -9.334 -19.010 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 6.561 -9.280 -19.682 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 5.795 -8.432 -18.645 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 8.588 -14.276 -13.265 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 9.298 -13.977 -13.853 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 7.764 -14.030 -13.741 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 18.979 -3.160 -32.669 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 19.359 -2.368 -32.280 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 18.917 -3.790 -31.915 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 5.690 -5.280 -22.136 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 4.744 -5.231 -22.397 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 6.112 -5.774 -22.869 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 17.200 -11.364 -26.630 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 16.522 -12.066 -26.719 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 16.860 -10.639 -27.187 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 19.779 -12.068 -26.024 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 19.696 -12.623 -25.214 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 18.850 -11.834 -26.248 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 19.408 -12.475 -31.886 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 19.255 -12.712 -30.959 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 19.080 -13.244 -32.390 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 0.813 -2.192 -17.554 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 1.762 -1.991 -17.388 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 0.460 -1.378 -17.930 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 8.265 0.006 -17.161 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 8.648 -0.489 -17.907 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 7.356 0.223 -17.459 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 12.559 1.129 -15.124 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 13.001 1.563 -15.892 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 11.607 1.279 -15.284 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 10.222 -15.780 -21.168 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 11.156 -15.755 -20.871 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 10.186 -16.569 -21.769 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 14.531 -12.525 -24.196 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 15.430 -12.233 -24.004 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 14.516 -12.620 -25.179 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 17.857 -14.166 -21.590 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 17.152 -13.859 -21.001 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 17.413 -14.821 -22.174 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 13.931 -15.006 -23.142 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 14.051 -14.127 -23.563 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 13.215 -15.438 -23.682 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 15.691 -18.605 -27.611 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 14.785 -18.668 -27.976 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 16.212 -19.241 -28.149 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 14.938 -13.162 -18.287 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 15.070 -13.912 -18.898 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 15.788 -13.101 -17.798 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 13.820 -3.422 -8.195 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 12.954 -3.153 -8.537 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 14.293 -2.569 -8.036 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 13.024 -6.871 -5.789 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 13.277 -5.958 -5.541 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 12.904 -7.325 -4.935 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 10.751 -9.075 -5.452 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 10.709 -8.257 -5.989 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 11.358 -8.846 -4.716 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 11.772 -8.359 -10.229 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 11.985 -7.637 -9.607 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 12.400 -8.228 -10.967 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 14.991 -1.029 -7.701 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 15.900 -0.731 -7.443 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 14.850 -0.624 -8.591 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 18.374 -13.036 0.968 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 18.463 -13.768 0.323 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 19.231 -13.001 1.405 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 4.083 -1.790 -13.498 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 4.083 -1.774 -12.509 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 4.918 -1.353 -13.743 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 16.583 -11.247 2.034 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 15.872 -11.877 2.275 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 17.249 -11.806 1.570 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 11.080 -4.292 -9.714 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 11.551 -5.024 -9.275 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 11.265 -4.433 -10.673 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 14.281 -5.081 -10.448 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 14.304 -4.425 -9.723 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 14.411 -4.549 -11.256 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 17.398 -0.011 -7.027 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 17.391 0.502 -6.188 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 18.282 0.120 -7.377 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 11.219 -1.924 1.457 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 11.690 -1.930 2.297 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 10.520 -1.239 1.577 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 13.792 -7.456 -11.897 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 13.988 -6.589 -11.484 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 13.486 -7.231 -12.797 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 9.289 -0.054 2.056 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 9.278 0.877 1.807 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 8.579 -0.135 2.702 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 17.969 -16.405 -11.421 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 18.876 -16.135 -11.606 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 17.461 -15.563 -11.430 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 6.340 -2.833 -5.358 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 5.490 -2.428 -5.082 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 6.715 -2.189 -5.992 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 4.823 0.228 -2.813 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 4.016 0.203 -2.281 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 4.695 -0.484 -3.475 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 14.515 1.313 -4.196 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 14.212 2.223 -3.969 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 13.998 1.082 -4.996 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 7.839 3.043 -5.879 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 7.896 3.996 -5.749 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 7.025 2.782 -5.393 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 5.054 -4.006 -1.581 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 5.428 -4.500 -0.843 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 5.627 -3.209 -1.654 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 15.173 -9.013 1.104 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 15.326 -8.410 1.839 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 15.700 -9.808 1.336 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 11.671 -4.712 -12.328 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 11.237 -5.023 -13.128 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 12.568 -4.453 -12.627 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 12.630 -10.247 -13.113 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 13.514 -10.131 -12.707 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 12.554 -11.219 -13.240 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 12.656 -6.397 -8.514 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 13.395 -6.079 -9.076 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 13.070 -6.558 -7.637 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 12.488 -7.282 0.592 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 13.355 -7.675 0.406 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 11.901 -7.669 -0.089 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 13.915 -4.287 -5.561 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 14.854 -4.360 -5.346 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 13.905 -4.074 -6.522 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 3.639 -6.982 -12.481 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 3.289 -7.832 -12.144 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 3.441 -7.011 -13.445 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 13.685 -9.509 -1.215 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 14.290 -9.336 -0.461 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 13.534 -10.465 -1.183 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 13.392 -12.456 -1.471 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 12.827 -12.714 -2.235 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 14.291 -12.490 -1.824 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 9.463 -3.882 0.466 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 10.128 -3.260 0.814 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 9.614 -4.703 0.972 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 10.292 -6.777 -7.054 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 11.175 -6.774 -7.474 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 9.963 -5.859 -7.188 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 9.091 -2.561 -11.116 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 9.704 -3.281 -10.878 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 9.011 -2.034 -10.287 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 15.925 -12.032 -13.713 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 15.329 -12.007 -14.492 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 15.671 -11.245 -13.196 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 12.440 -2.091 -4.687 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 12.922 -2.917 -4.916 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 12.917 -1.750 -3.896 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 15.170 -9.776 -12.138 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 15.721 -9.888 -11.357 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 14.828 -8.854 -12.062 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 9.368 -1.106 -8.856 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 9.799 -1.363 -8.016 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 10.022 -0.527 -9.291 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 5.567 -7.453 -0.029 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 5.462 -7.158 0.882 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 6.517 -7.679 -0.098 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 12.032 -2.178 -1.258 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 11.903 -2.044 -0.298 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 12.813 -1.637 -1.474 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 12.286 -8.248 -3.316 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 11.586 -8.149 -2.637 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 13.031 -8.654 -2.823 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 9.352 -4.266 -7.551 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 9.774 -4.171 -8.432 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 9.513 -3.405 -7.117 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 10.242 -1.823 -6.345 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 9.911 -0.948 -6.046 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 11.033 -1.980 -5.786 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 13.042 0.156 -6.236 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 13.773 -0.246 -6.761 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 12.722 -0.579 -5.676 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 8.745 2.519 -8.691 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 9.625 2.259 -8.361 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 8.253 2.757 -7.891 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 17.244 1.420 -4.705 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 17.550 2.158 -4.172 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 16.290 1.348 -4.493 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 14.103 -0.112 -10.071 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 14.208 0.056 -11.024 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 13.186 0.146 -9.889 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 6.582 -1.759 -1.694 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 7.178 -1.521 -0.974 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 6.199 -0.912 -1.981 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 6.761 -3.211 -12.393 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 6.587 -2.442 -12.958 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 7.558 -2.956 -11.878 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 3.671 -1.654 -10.820 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 3.844 -1.269 -9.956 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 2.739 -1.947 -10.771 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 10.715 -10.982 -0.123 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 11.383 -11.569 -0.502 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 9.871 -11.269 -0.543 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 9.166 -13.716 -10.600 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 9.053 -14.603 -10.210 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 8.958 -13.844 -11.545 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 11.354 0.404 -10.358 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 10.568 0.907 -10.682 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 11.890 0.254 -11.172 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 10.525 -8.394 -1.148 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 9.626 -8.193 -0.809 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 10.717 -9.287 -0.791 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 11.161 1.435 -7.774 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 11.920 1.128 -7.227 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 11.403 1.173 -8.685 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 6.717 -0.855 -14.264 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 7.590 -0.725 -13.832 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 6.625 -0.083 -14.845 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 7.255 -0.685 -6.967 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 7.676 -0.894 -7.825 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 7.931 -0.150 -6.499 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 12.967 0.118 -12.608 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 13.202 -0.724 -13.034 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 12.840 0.736 -13.364 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 14.130 -0.988 -2.753 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 14.220 -0.108 -3.186 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 15.017 -1.182 -2.432 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 9.176 -0.595 -13.027 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 9.246 -1.306 -12.348 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 9.210 0.239 -12.501 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 10.195 -6.236 1.757 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 10.447 -6.377 2.683 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 10.994 -6.497 1.252 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 8.349 -11.555 -1.359 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 8.208 -10.701 -1.818 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 7.510 -11.710 -0.885 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 7.402 -10.219 1.948 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 8.068 -10.781 2.401 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 6.682 -10.129 2.609 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 11.272 -9.590 2.926 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 10.408 -9.434 3.370 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 11.036 -10.043 2.099 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 12.441 -7.145 3.421 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 12.089 -8.056 3.336 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 12.694 -6.906 2.512 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 16.757 -8.053 5.839 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 17.581 -7.604 6.042 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 17.040 -8.883 5.386 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 5.985 -11.566 0.071 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 5.105 -11.450 0.476 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 6.588 -11.067 0.671 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 1.361 -1.451 -13.674 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 1.340 -0.525 -13.936 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 2.319 -1.682 -13.683 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 4.030 -1.483 -4.832 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 4.105 -0.796 -5.530 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 3.146 -1.332 -4.438 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 5.321 -10.673 3.724 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 5.410 -11.554 4.145 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 4.951 -10.105 4.431 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 4.828 0.536 -6.499 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 5.140 1.285 -5.954 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 5.658 0.121 -6.833 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 9.329 0.750 -5.895 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 8.811 1.562 -5.703 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 10.032 1.059 -6.510 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 5.603 2.328 -4.435 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 5.462 1.574 -3.819 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 5.118 3.056 -4.031 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 13.721 3.853 -3.613 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 13.906 4.371 -2.822 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 13.266 4.465 -4.199 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 16.065 -14.545 -8.717 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 16.812 -15.117 -8.509 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 16.210 -14.290 -9.649 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 13.376 -15.052 -8.597 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 14.322 -14.804 -8.491 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 13.408 -15.891 -9.099 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 16.366 -14.136 -11.549 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 15.536 -14.603 -11.793 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 16.419 -13.402 -12.192 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 5.479 -9.470 -11.710 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 5.712 -10.388 -11.886 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 4.509 -9.446 -11.815 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 4.431 -13.087 -1.706 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 3.706 -12.434 -1.599 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 5.178 -12.691 -1.213 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 9.158 1.639 -11.329 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 8.812 2.026 -10.493 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 9.019 2.351 -11.999 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 17.131 -10.440 4.672 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 16.632 -11.125 5.140 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 17.096 -10.714 3.735 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 12.728 -6.619 6.072 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 12.679 -6.669 5.086 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 13.021 -5.718 6.250 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 6.612 -8.174 5.551 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 6.682 -7.544 6.273 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 5.658 -8.396 5.517 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 8.972 -9.074 4.414 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 8.067 -8.767 4.649 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 9.533 -8.742 5.154 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 9.209 -14.762 6.888 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 10.182 -14.639 6.947 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 8.970 -15.139 7.738 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 9.028 -11.657 3.631 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 9.880 -12.012 3.982 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 8.936 -10.782 4.072 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 10.506 -8.170 6.445 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 10.589 -8.498 7.345 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 11.287 -7.588 6.328 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 9.708 1.220 -15.219 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 9.658 0.495 -14.575 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 9.214 0.879 -16.003 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 26.095 -33.699 -18.065 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 26.953 -33.449 -17.656 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 26.136 -34.679 -18.124 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 24.820 -38.877 -16.708 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 24.135 -38.615 -16.060 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 24.335 -39.441 -17.345 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 22.220 -37.726 -19.723 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 22.877 -36.993 -19.770 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 21.678 -37.604 -20.505 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 25.806 -36.360 -17.823 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 26.136 -36.463 -16.910 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 25.393 -37.217 -18.020 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 26.354 -37.192 -15.202 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 27.125 -37.661 -14.805 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 25.883 -37.893 -15.705 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 20.237 -45.924 -18.827 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 20.976 -46.488 -19.062 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 20.512 -45.504 -17.985 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 23.861 -35.568 -20.065 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 24.591 -35.460 -19.437 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 23.708 -34.670 -20.412 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 24.318 -33.972 -16.009 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 24.928 -33.652 -15.333 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 24.837 -33.915 -16.844 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 27.718 -32.908 -13.771 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 27.504 -33.186 -12.850 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 27.743 -31.942 -13.724 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 22.909 -35.632 -14.288 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 22.879 -36.535 -14.681 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 23.271 -35.071 -15.007 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 23.124 -44.763 -14.985 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 22.693 -45.157 -14.193 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 24.031 -44.610 -14.707 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 22.220 -30.974 -26.761 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 23.003 -31.542 -26.889 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 22.509 -30.099 -27.091 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 23.309 -31.416 -23.081 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 23.853 -31.793 -23.811 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 23.329 -32.109 -22.384 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 25.191 -36.146 -12.914 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 25.698 -36.426 -13.713 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 24.305 -35.918 -13.267 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 28.308 -33.307 -16.484 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 28.018 -33.061 -15.585 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 29.171 -33.722 -16.347 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 29.844 -34.630 -14.302 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 29.548 -35.548 -14.329 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 29.041 -34.125 -14.067 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 22.058 -32.548 -16.682 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 22.772 -33.212 -16.609 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 21.642 -32.734 -17.551 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 20.879 -32.712 -19.221 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 20.621 -31.757 -19.235 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 20.092 -33.175 -19.583 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 23.177 -32.895 -20.748 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 22.305 -32.892 -20.291 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 23.773 -32.466 -20.120 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 26.642 -40.161 -3.285 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 27.504 -39.795 -3.571 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 26.740 -40.280 -2.315 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 20.386 -41.971 -8.087 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 20.303 -41.165 -7.526 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 20.069 -41.679 -8.975 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 23.052 -42.569 -8.382 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 22.113 -42.357 -8.181 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 23.095 -43.530 -8.320 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 29.268 -31.247 -3.076 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 29.466 -31.275 -2.113 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 29.106 -32.184 -3.310 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 28.891 -39.227 -4.560 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 29.834 -39.288 -4.734 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 28.472 -39.638 -5.353 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 25.380 -36.955 -4.674 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 24.782 -37.703 -4.521 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 25.785 -37.146 -5.554 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 27.769 -40.343 -6.835 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 26.835 -40.659 -6.761 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 28.142 -40.880 -7.542 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 27.928 -36.746 -3.635 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 28.265 -37.548 -4.083 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 26.986 -36.695 -3.913 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 24.113 -39.496 -3.999 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 25.057 -39.526 -3.718 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 23.915 -40.420 -4.241 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 26.123 -37.329 1.383 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 27.038 -37.678 1.296 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 25.969 -37.297 2.355 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 28.472 -34.010 -3.040 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 27.618 -34.134 -2.579 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 28.542 -34.791 -3.616 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 25.233 -41.401 -6.838 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 25.080 -41.812 -5.959 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 24.502 -41.736 -7.388 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 29.412 -36.358 -1.388 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 28.847 -36.588 -2.163 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 29.567 -35.404 -1.486 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 28.984 -32.016 -6.861 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 29.047 -32.558 -7.672 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 29.877 -31.649 -6.753 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 26.314 -40.930 -0.701 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 25.803 -41.639 -1.148 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 26.714 -41.378 0.063 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 31.486 -37.797 -0.201 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 30.847 -37.201 -0.645 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 32.092 -38.058 -0.899 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 25.016 -42.188 -4.212 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 24.869 -42.743 -3.417 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 25.737 -41.579 -3.945 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 24.446 -38.963 0.050 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 25.085 -39.673 -0.177 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 24.996 -38.284 0.503 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 27.169 -36.450 -9.419 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 27.028 -37.123 -10.118 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 26.406 -35.847 -9.513 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 21.620 -40.335 -13.576 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 20.986 -41.073 -13.451 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 22.142 -40.333 -12.756 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 26.740 -37.654 -6.955 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 27.020 -37.166 -7.758 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 27.192 -38.513 -7.027 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 29.654 -31.287 -0.396 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 28.684 -31.228 -0.335 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 29.956 -31.254 0.535 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 24.965 -34.929 -10.386 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 24.029 -34.969 -10.115 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 24.980 -35.362 -11.265 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 28.243 -38.458 -13.747 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 27.742 -38.427 -12.902 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 28.978 -39.049 -13.564 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 24.741 -39.557 -10.234 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 23.927 -40.003 -10.555 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 24.748 -39.734 -9.287 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 22.458 -40.995 -10.748 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 22.741 -41.656 -10.093 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 21.482 -40.968 -10.656 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 29.516 -33.025 -9.330 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 29.554 -33.926 -9.709 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 30.381 -32.629 -9.570 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 26.590 -38.094 -11.547 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 26.022 -37.425 -11.988 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 25.947 -38.714 -11.125 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 29.320 -35.328 -10.828 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 28.866 -35.983 -10.265 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 28.594 -34.772 -11.176 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 22.735 -39.516 2.200 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 23.261 -39.333 1.396 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 21.806 -39.356 1.920 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 22.718 -38.233 -15.083 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 22.531 -38.883 -14.375 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 22.038 -38.426 -15.762 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 28.742 -37.878 0.854 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 29.577 -38.369 0.910 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 28.815 -37.381 0.011 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 22.795 -41.471 -0.599 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 22.694 -40.603 -1.036 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 21.878 -41.698 -0.308 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 27.295 -33.481 -11.115 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 27.688 -32.967 -10.383 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 26.435 -33.789 -10.759 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 22.522 -38.826 -1.860 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 23.106 -38.962 -2.633 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 23.144 -38.675 -1.114 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 24.814 -43.058 -1.560 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 25.191 -43.540 -0.801 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 23.997 -42.641 -1.202 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 30.331 -30.874 2.238 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 30.250 -30.604 3.184 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 30.903 -31.673 2.273 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 33.438 -31.991 0.584 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 34.322 -31.991 0.159 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 33.058 -31.125 0.335 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 34.832 -30.388 -3.161 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 34.561 -29.506 -2.865 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 34.266 -30.561 -3.944 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 35.767 -31.558 -0.865 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 35.437 -31.195 -1.717 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 36.703 -31.700 -1.016 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 31.301 -33.792 -12.060 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 30.800 -34.496 -11.601 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 31.086 -33.927 -13.002 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 29.534 -35.822 2.537 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 29.058 -36.511 2.042 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 29.272 -35.976 3.474 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 28.881 -36.547 5.069 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 28.273 -37.143 5.546 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 29.554 -36.310 5.734 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 26.531 -35.358 7.224 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 26.279 -34.800 6.473 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 27.334 -34.927 7.582 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 26.874 -37.901 6.444 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 26.526 -38.555 7.058 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 26.669 -37.033 6.871 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 28.947 -34.112 7.741 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 29.640 -34.713 7.383 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 29.400 -33.613 8.429 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 25.792 -37.008 4.066 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 25.917 -36.046 4.211 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 26.259 -37.425 4.823 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 31.902 -33.154 2.500 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 31.567 -33.954 2.072 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 32.594 -32.818 1.878 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 26.349 -43.313 0.886 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 26.776 -43.808 1.589 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 25.620 -42.827 1.339 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 32.115 -36.542 2.238 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 31.184 -36.259 2.362 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 32.095 -37.069 1.420 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 30.914 -35.794 6.797 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 31.375 -35.432 5.995 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 31.530 -36.447 7.144 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 24.291 -41.798 1.735 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 23.733 -41.705 0.936 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 23.870 -41.207 2.383 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 24.930 -29.306 5.926 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 24.335 -29.472 6.664 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 24.446 -29.642 5.147 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 32.235 -35.057 4.568 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 32.185 -34.217 4.073 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 32.368 -35.733 3.871 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 25.789 -26.538 -41.071 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 24.896 -26.930 -41.195 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 26.354 -27.060 -41.645 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 24.515 -20.318 -39.212 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 23.659 -20.194 -38.757 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 24.890 -19.420 -39.250 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 25.777 -21.654 -41.368 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 25.254 -21.268 -40.637 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 26.536 -22.084 -40.921 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 30.209 -21.613 -41.338 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 30.701 -21.323 -42.110 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 30.727 -21.260 -40.576 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 27.992 -22.620 -40.066 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 28.783 -22.397 -40.611 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 28.136 -22.145 -39.236 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 21.699 -17.714 -47.064 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 21.798 -17.937 -47.997 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 21.205 -16.862 -47.072 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 25.776 -18.303 -41.410 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 25.640 -18.465 -42.374 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 26.451 -18.944 -41.160 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 26.329 -24.702 -39.163 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 26.160 -25.365 -39.875 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 26.913 -24.039 -39.588 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 29.733 -16.368 -34.357 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 29.008 -15.770 -34.647 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 30.553 -15.870 -34.563 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 24.035 -17.254 -45.724 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 23.753 -16.545 -45.131 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 23.234 -17.464 -46.244 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 31.009 -24.380 -34.171 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 31.057 -23.631 -34.797 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 30.048 -24.530 -34.059 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 23.757 -26.921 -35.917 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 23.046 -27.505 -36.249 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 23.812 -26.207 -36.593 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 33.016 -22.025 -37.203 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 32.215 -22.109 -36.639 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 33.151 -22.911 -37.554 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 22.739 -18.550 -42.936 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 23.624 -18.741 -43.323 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 22.855 -18.721 -41.990 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 29.777 -19.013 -34.950 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 29.790 -18.066 -34.683 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 30.196 -19.483 -34.197 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 25.243 -18.911 -43.942 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 25.392 -19.845 -44.223 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 25.079 -18.428 -44.782 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 26.991 -19.191 -37.233 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 26.561 -19.182 -36.348 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 26.460 -18.553 -37.758 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 29.555 -20.114 -37.378 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 29.790 -19.593 -36.576 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 28.641 -19.821 -37.587 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 21.301 -27.891 -36.788 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 20.810 -28.657 -36.473 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 20.930 -27.137 -36.269 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 34.541 -22.750 -33.356 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 34.078 -23.581 -33.103 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 35.459 -23.018 -33.478 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 20.247 -15.404 -47.082 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 19.558 -15.981 -46.684 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 19.759 -14.583 -47.325 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 37.230 -19.179 -32.879 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 37.816 -19.011 -33.625 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 37.823 -19.396 -32.153 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 30.745 -22.075 -35.713 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 30.199 -21.530 -36.318 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 30.732 -21.578 -34.865 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 26.247 -21.781 -37.565 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 26.612 -20.891 -37.390 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 25.487 -21.610 -38.151 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 30.609 -20.907 -33.169 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 29.951 -21.440 -32.666 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 31.415 -20.938 -32.617 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 26.155 -26.203 -34.778 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 26.439 -25.586 -35.486 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 25.361 -26.643 -35.150 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 31.552 -20.664 -39.186 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 32.243 -21.010 -38.593 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 30.855 -20.341 -38.577 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 33.122 -24.948 -32.596 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 33.098 -25.898 -32.439 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 32.338 -24.780 -33.179 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 33.944 -20.573 -34.979 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 34.088 -21.401 -34.484 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 33.725 -20.870 -35.884 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 22.568 -26.741 -33.410 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 23.041 -26.062 -32.896 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 23.087 -26.816 -34.240 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 28.242 -24.351 -34.136 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 27.690 -25.117 -33.901 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 27.926 -24.098 -35.031 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 24.212 -29.123 -31.972 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 24.802 -28.351 -32.084 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 23.347 -28.805 -32.262 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 20.997 -14.444 -41.532 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 21.732 -14.191 -40.947 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 20.576 -15.214 -41.065 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 26.876 -24.206 -36.538 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 26.844 -24.646 -37.416 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 26.689 -23.261 -36.746 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 20.524 -25.906 -35.095 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 21.145 -26.113 -34.371 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 20.517 -24.926 -35.132 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 23.387 -27.815 -41.410 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 22.962 -27.442 -40.602 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 22.869 -28.598 -41.607 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 25.081 -17.600 -38.315 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 25.155 -17.019 -39.096 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 24.332 -17.230 -37.817 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 29.849 -13.015 -34.684 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 29.989 -13.139 -33.721 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 30.728 -13.125 -35.063 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 32.163 -15.052 -34.605 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 32.692 -15.037 -35.409 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 32.731 -15.530 -33.952 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 22.435 -12.924 -37.954 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 22.105 -12.014 -38.113 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 22.917 -13.145 -38.776 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 23.117 -15.620 -37.626 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 22.695 -14.739 -37.589 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 22.672 -16.068 -38.388 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 22.259 -15.949 -43.648 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 22.440 -16.869 -43.361 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 21.775 -15.559 -42.897 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 24.571 -16.028 -40.550 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 23.662 -16.389 -40.387 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 25.049 -16.770 -40.987 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 18.867 -13.079 -47.249 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 18.562 -12.639 -48.069 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 19.386 -12.384 -46.793 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 27.327 -19.115 -20.299 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 27.366 -18.132 -20.292 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 26.965 -19.330 -21.165 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 21.539 -23.127 -24.880 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 22.126 -23.148 -24.095 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 21.905 -23.811 -25.471 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 21.782 -25.945 -21.808 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 21.011 -26.464 -22.137 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 22.351 -25.841 -22.587 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 24.369 -25.415 -23.530 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 24.656 -26.323 -23.725 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 25.030 -24.850 -23.998 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 24.270 -28.936 -22.404 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 24.052 -29.845 -22.702 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 24.679 -28.518 -23.193 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 28.830 -21.385 -28.349 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 29.603 -20.847 -28.632 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 29.005 -22.268 -28.745 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 29.688 -23.905 -29.111 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 30.569 -23.710 -29.514 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 29.324 -24.603 -29.667 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 26.495 -20.475 -27.252 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 25.935 -21.243 -27.426 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 27.350 -20.696 -27.695 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 26.838 -19.155 -24.808 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 27.768 -18.900 -24.788 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 26.711 -19.531 -25.706 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 32.010 -23.418 -30.511 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 32.334 -22.530 -30.737 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 32.470 -24.006 -31.136 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 27.112 -23.816 -18.001 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 26.235 -24.055 -17.646 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 27.028 -22.855 -18.212 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 26.582 -23.657 -30.715 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 26.629 -24.228 -29.921 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 25.761 -23.930 -31.155 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 22.633 -20.188 -20.467 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 22.970 -20.117 -21.383 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 21.793 -19.709 -20.488 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 22.812 -17.157 -23.776 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 23.707 -16.843 -24.023 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 22.440 -16.423 -23.240 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 23.202 -15.188 -27.360 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 22.376 -15.003 -27.855 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 23.565 -14.298 -27.159 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 33.032 -21.027 -31.776 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 33.554 -21.678 -32.292 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 33.474 -20.171 -31.963 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 23.168 -26.106 -19.472 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 22.610 -25.620 -18.852 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 22.721 -25.989 -20.338 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 24.649 -26.517 -27.003 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 24.216 -27.314 -27.387 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 23.908 -25.891 -26.860 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 31.295 -27.086 -14.226 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 31.949 -27.706 -13.897 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 31.342 -27.188 -15.205 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 21.011 -27.040 -16.995 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 21.801 -27.616 -17.058 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 20.391 -27.409 -17.651 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 25.730 -26.826 -32.150 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 25.183 -26.027 -32.006 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 26.042 -26.737 -33.077 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 25.372 -27.785 -24.661 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 26.266 -28.090 -24.850 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 25.086 -27.349 -25.496 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 24.103 -24.576 -32.174 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 24.065 -24.329 -33.131 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 23.556 -23.891 -31.733 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 20.749 -27.255 -26.949 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 20.638 -27.821 -27.739 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 20.613 -27.865 -26.199 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 26.637 -25.263 -28.425 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 27.067 -24.659 -27.789 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 25.920 -25.690 -27.901 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 26.652 -21.247 -18.661 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 25.705 -21.100 -18.459 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 26.916 -20.451 -19.166 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 28.109 -23.552 -26.757 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 28.287 -22.626 -27.008 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 28.819 -24.053 -27.199 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 26.116 -23.734 -24.758 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 25.847 -22.815 -24.562 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 26.827 -23.642 -25.423 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 30.976 -20.193 -29.575 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 31.743 -20.402 -30.128 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 30.848 -19.235 -29.693 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 24.524 -23.649 -16.806 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 24.382 -22.895 -17.413 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 24.287 -23.289 -15.918 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 31.117 -25.180 -18.149 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 30.466 -24.810 -18.793 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 31.844 -24.548 -18.162 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 24.733 -18.305 -27.674 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 25.352 -19.046 -27.537 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 25.283 -17.503 -27.532 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 25.046 -21.214 -24.030 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 25.703 -20.511 -24.207 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 24.217 -20.721 -23.834 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 26.374 -16.225 -27.038 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 27.352 -16.211 -27.178 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 26.086 -15.332 -27.285 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 34.502 -18.921 -32.898 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 35.481 -19.009 -32.843 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 34.268 -19.377 -33.742 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 20.233 -30.095 -19.481 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 19.827 -29.250 -19.207 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 20.643 -29.895 -20.343 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 20.217 -14.586 -20.232 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 19.367 -14.459 -20.699 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 20.039 -14.275 -19.326 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 29.494 -17.815 -29.780 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 29.280 -17.190 -30.513 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 28.886 -18.552 -29.915 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 29.272 -23.939 -19.691 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 28.468 -23.961 -19.126 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 28.963 -23.576 -20.525 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 29.044 -16.332 -27.498 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 29.253 -16.824 -28.323 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 29.902 -16.050 -27.168 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 26.665 -27.812 -29.704 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 26.488 -27.540 -30.625 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 26.838 -26.973 -29.238 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 24.685 -32.054 -27.709 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 24.814 -31.287 -28.317 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 24.887 -32.821 -28.256 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 33.705 -16.299 -32.785 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 34.338 -15.969 -32.140 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 33.886 -17.266 -32.826 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 21.614 -21.650 -16.634 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 21.415 -22.607 -16.736 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 20.885 -21.197 -17.129 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 21.520 -24.427 -16.496 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 21.257 -25.352 -16.731 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 22.480 -24.480 -16.372 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 24.757 -26.260 -15.867 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 25.645 -26.361 -15.465 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 24.756 -25.347 -16.221 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 28.521 -22.387 -32.201 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 28.511 -23.097 -32.879 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 27.915 -22.719 -31.502 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 23.527 -28.321 -17.189 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 23.946 -28.335 -18.068 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 23.996 -27.598 -16.711 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 24.758 -28.244 -19.772 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 24.281 -27.381 -19.696 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 24.640 -28.500 -20.711 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 26.713 -29.248 -18.176 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 27.268 -29.758 -18.771 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 26.037 -28.839 -18.766 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 27.289 -26.604 -14.731 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 27.766 -26.455 -13.893 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 27.856 -26.158 -15.408 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 31.655 -27.545 -16.878 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 31.742 -28.191 -17.582 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 31.445 -26.705 -17.344 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 26.383 -29.083 -15.498 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 26.762 -28.210 -15.254 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 26.554 -29.155 -16.468 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 28.784 -16.207 -31.835 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 29.135 -16.436 -32.725 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 28.066 -15.588 -32.018 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 19.653 -13.464 -23.646 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 19.020 -13.628 -22.920 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 20.418 -14.018 -23.423 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 23.270 -23.088 -22.734 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 23.680 -23.977 -22.825 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 23.957 -22.475 -23.054 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 25.003 -32.370 -25.011 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 25.746 -32.980 -24.978 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 24.902 -32.164 -25.966 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 20.233 -25.193 -19.622 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 20.715 -25.499 -20.414 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 20.336 -24.227 -19.646 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 21.511 -29.673 -21.944 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 21.959 -30.453 -22.334 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 22.241 -29.059 -21.743 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 25.408 -16.707 -24.558 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 25.660 -16.537 -25.494 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 25.823 -17.566 -24.357 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 28.069 -16.492 -20.473 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 28.921 -16.952 -20.297 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 28.204 -15.606 -20.130 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 29.996 -18.297 -19.794 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 29.227 -18.897 -19.792 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 30.679 -18.783 -19.326 1.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 23.301 -28.686 -27.984 1.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 22.442 -28.596 -28.451 1.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 23.878 -29.144 -28.632 1.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 25.053 -30.061 -29.565 1.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 25.780 -29.400 -29.503 1.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 24.722 -29.963 -30.489 1.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 30.650 -14.031 -32.293 1.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 30.280 -14.782 -31.806 1.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 31.384 -14.413 -32.799 1.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 18.890 -14.820 -33.467 1.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 18.681 -15.568 -34.041 1.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 19.425 -15.216 -32.739 1.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 33.491 -25.112 -2.290 1.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 33.072 -24.830 -1.454 1.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 33.627 -26.072 -2.175 1.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 25.886 -26.838 -3.553 1.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 25.780 -26.843 -4.535 1.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 26.810 -27.137 -3.409 1.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 16.539 -23.911 -9.324 1.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 17.020 -23.525 -10.063 1.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 16.228 -23.137 -8.813 1.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 33.633 -24.743 -5.010 1.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 33.563 -24.751 -4.029 1.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 34.116 -23.936 -5.206 1.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 30.355 -28.566 -8.559 1.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 29.967 -28.172 -9.366 1.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 30.297 -27.844 -7.891 1.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 28.352 -27.938 -2.999 1.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 28.404 -27.969 -2.022 1.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 29.185 -27.493 -3.271 1.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 27.590 -24.094 0.295 1.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 26.682 -23.741 0.145 1.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 27.969 -24.153 -0.588 1.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 32.955 -30.194 -5.134 1.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 32.521 -30.552 -5.937 1.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 33.062 -29.237 -5.324 1.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 21.776 -18.236 -12.127 1.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 22.516 -17.949 -12.670 1.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 22.197 -18.640 -11.338 1.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 25.512 -24.638 -7.072 1.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 25.103 -24.755 -7.951 1.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 25.533 -25.543 -6.697 1.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 30.713 -26.528 -1.300 1.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 31.164 -25.784 -0.852 1.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 30.641 -27.211 -0.613 1.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 25.005 -23.467 -0.287 1.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 24.687 -22.720 -0.842 1.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 24.652 -24.261 -0.733 1.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 23.789 -25.239 -9.265 1.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 23.712 -25.628 -10.157 1.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 23.634 -26.004 -8.655 1.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 24.165 -21.444 -1.987 1.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 23.655 -21.343 -2.821 1.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 24.394 -20.543 -1.741 1.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 32.402 -29.576 -0.271 1.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 31.995 -29.824 -1.126 1.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 31.657 -29.242 0.258 1.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 28.686 -27.537 -10.534 1.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 27.989 -27.110 -9.992 1.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 28.769 -26.959 -11.324 1.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 29.235 -25.985 -12.830 1.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 29.425 -25.050 -12.968 1.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 29.957 -26.451 -13.320 1.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 29.949 -26.570 -6.719 1.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 29.892 -25.631 -6.922 1.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 30.155 -26.597 -5.760 1.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 27.684 -28.460 -0.325 1.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 27.439 -29.399 -0.444 1.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 26.833 -28.016 -0.123 1.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 32.098 -24.564 0.102 1.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 32.073 -23.654 0.417 1.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 31.825 -25.098 0.887 1.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 24.377 -28.470 -10.065 1.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 23.975 -28.271 -9.177 1.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 23.960 -27.821 -10.668 1.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 33.215 -27.431 -4.883 1.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 33.663 -27.443 -4.016 1.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 33.361 -26.516 -5.215 1.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 23.558 -26.454 -11.794 1.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 22.727 -26.147 -12.181 1.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 24.217 -26.288 -12.484 1.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 30.636 -26.764 -4.027 1.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 31.500 -27.114 -4.329 1.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 30.776 -26.573 -3.071 1.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 24.791 -22.736 -5.276 1.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 25.531 -22.782 -4.664 1.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 25.009 -23.403 -5.967 1.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 24.182 -25.736 -1.737 1.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 24.833 -26.086 -2.393 1.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 23.421 -25.484 -2.272 1.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 23.404 -22.701 -14.529 1.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 22.730 -22.206 -15.022 1.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 23.087 -22.676 -13.596 1.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 22.318 -22.490 -12.023 1.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 21.543 -21.909 -11.929 1.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 22.693 -22.537 -11.123 1.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 33.628 -27.938 -2.188 1.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 32.774 -28.335 -2.467 1.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 33.762 -28.286 -1.286 1.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 31.938 -32.001 -10.096 1.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 32.778 -31.572 -10.287 1.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 31.781 -32.583 -10.879 1.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 27.875 -30.075 -9.642 1.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 28.653 -30.515 -9.267 1.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 28.228 -29.233 -10.005 1.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 31.070 -26.110 2.059 1.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 30.835 -26.984 1.678 1.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 31.220 -26.300 3.018 1.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 31.477 -30.812 -7.450 1.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 31.140 -29.953 -7.795 1.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 31.683 -31.325 -8.254 1.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 26.522 -27.257 -8.741 1.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 26.111 -27.204 -7.852 1.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 25.802 -27.583 -9.314 1.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 25.493 -25.732 2.231 1.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 25.318 -24.836 1.902 1.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 26.452 -25.728 2.440 1.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 28.848 -25.199 -16.402 1.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 29.673 -25.245 -16.914 1.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 28.245 -24.667 -16.964 1.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 30.141 -28.425 0.917 1.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 30.155 -29.237 1.476 1.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 29.233 -28.414 0.533 1.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 28.284 -25.716 2.339 1.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 29.260 -25.762 2.326 1.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 28.069 -25.082 1.614 1.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 28.333 -27.698 4.227 1.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 27.831 -28.440 3.871 1.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 28.194 -26.977 3.574 1.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 29.465 -28.485 6.665 1.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 28.805 -29.006 7.175 1.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 28.937 -28.053 5.970 1.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 30.948 -26.852 4.643 1.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 30.033 -27.191 4.574 1.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 31.213 -27.076 5.544 1.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 23.887 -27.314 3.903 1.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 24.487 -27.357 4.660 1.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 24.334 -26.711 3.277 1.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 30.495 -30.297 4.875 1.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 31.293 -30.621 5.302 1.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 30.112 -29.669 5.524 1.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 20.779 -16.290 -17.267 1.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 20.039 -16.896 -17.035 1.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 21.243 -16.746 -17.977 1.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 23.304 -22.525 -9.366 1.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 23.380 -23.507 -9.381 1.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 23.864 -22.260 -8.625 1.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 25.106 -27.513 0.196 1.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 25.212 -26.939 0.988 1.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 24.692 -26.923 -0.471 1.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 31.476 -29.600 -2.910 1.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 31.987 -29.910 -3.689 1.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 30.634 -30.095 -2.967 1.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 25.573 -30.652 -10.995 1.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 25.062 -29.898 -10.617 1.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 26.443 -30.594 -10.548 1.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 27.261 -29.958 7.295 1.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 26.490 -29.569 6.842 1.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 27.281 -30.885 6.973 1.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 27.282 -32.497 6.222 1.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 27.127 -33.031 5.426 1.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 27.912 -33.029 6.748 1.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 21.587 -33.635 6.099 1.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 21.990 -33.778 6.960 1.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 21.386 -34.540 5.775 1.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 26.091 -34.284 4.322 1.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 26.448 -34.330 3.398 1.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 25.251 -33.822 4.226 1.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 25.814 -12.267 -38.698 1.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 26.735 -11.986 -38.655 1.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 25.317 -11.430 -38.881 1.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 23.846 -13.436 -40.276 1.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 24.128 -14.354 -40.507 1.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 24.619 -13.065 -39.795 1.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 22.731 -11.447 -46.025 1.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 23.515 -11.277 -45.497 1.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 22.637 -12.423 -46.011 1.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 21.802 -10.290 -38.486 1.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 21.233 -9.830 -39.115 1.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 21.377 -10.128 -37.614 1.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 21.597 -12.499 -43.366 1.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 21.780 -12.956 -44.213 1.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 21.359 -13.224 -42.750 1.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 25.552 -14.422 -36.836 1.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 24.842 -14.983 -37.211 1.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 25.659 -13.704 -37.492 1.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 22.037 -12.243 -32.490 1.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 22.124 -12.073 -33.448 1.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 21.061 -12.245 -32.334 1.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 27.636 -14.643 -34.780 1.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 28.262 -13.883 -34.819 1.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 27.107 -14.561 -35.599 1.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 24.837 -14.838 -34.212 1.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 24.881 -14.755 -35.186 1.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 25.769 -14.855 -33.939 1.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 20.619 -10.382 -36.022 1.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 21.331 -10.914 -35.613 1.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 19.791 -10.792 -35.682 1.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 23.382 -11.158 -41.800 1.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 22.746 -11.435 -42.488 1.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 23.580 -11.982 -41.316 1.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 20.126 -10.768 -46.487 1.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 19.812 -10.597 -45.575 1.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 21.105 -10.839 -46.395 1.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 22.156 -14.083 -45.586 1.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 21.551 -14.486 -46.245 1.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 22.278 -14.791 -44.913 1.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 22.544 -12.320 -35.225 1.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 22.462 -12.583 -36.167 1.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 23.345 -12.771 -34.924 1.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 22.791 -14.943 -32.336 1.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 23.512 -14.986 -32.999 1.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 22.580 -13.990 -32.277 1.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 25.743 -13.944 -24.811 1.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 26.442 -13.732 -24.189 1.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 25.521 -14.876 -24.616 1.00 0.00 WAT1 ATOM 4731 OH2 TIP3 1099 22.310 -11.570 -25.090 1.00 0.00 WAT1 ATOM 4732 H1 TIP3 1099 21.466 -11.756 -25.554 1.00 0.00 WAT1 ATOM 4733 H2 TIP3 1099 22.043 -11.109 -24.292 1.00 0.00 WAT1 ATOM 4734 OH2 TIP3 1100 24.179 -12.723 -26.712 1.00 0.00 WAT1 ATOM 4735 H1 TIP3 1100 23.521 -12.229 -26.175 1.00 0.00 WAT1 ATOM 4736 H2 TIP3 1100 24.822 -13.058 -26.052 1.00 0.00 WAT1 ATOM 4737 OH2 TIP3 1101 20.182 -12.548 -28.803 1.00 0.00 WAT1 ATOM 4738 H1 TIP3 1101 20.099 -12.314 -27.857 1.00 0.00 WAT1 ATOM 4739 H2 TIP3 1101 20.914 -11.988 -29.127 1.00 0.00 WAT1 ATOM 4740 OH2 TIP3 1102 22.426 -11.283 -29.939 1.00 0.00 WAT1 ATOM 4741 H1 TIP3 1102 22.361 -11.578 -30.877 1.00 0.00 WAT1 ATOM 4742 H2 TIP3 1102 23.173 -11.785 -29.584 1.00 0.00 WAT1 END