REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:19 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 13.558 -7.185 -5.043 1.00 4.44 ATOM 2 CB MET 1 14.689 -8.758 -5.951 1.00 11.14 ATOM 3 HB1 MET 1 13.816 -9.189 -6.422 1.00 36.60 ATOM 4 HB2 MET 1 14.847 -9.257 -5.003 1.00 32.01 ATOM 5 CG MET 1 15.908 -9.010 -6.823 1.00 20.12 ATOM 6 HG1 MET 1 16.310 -9.977 -6.560 1.00 36.60 ATOM 7 HG2 MET 1 16.666 -8.266 -6.656 1.00 44.53 ATOM 8 SD MET 1 15.510 -9.037 -8.581 1.00 64.42 ATOM 9 CE MET 1 17.109 -9.435 -9.284 1.00 4.52 ATOM 10 HE1 MET 1 17.443 -10.388 -8.902 1.00 34.20 ATOM 11 HE2 MET 1 17.821 -8.670 -9.014 1.00 72.54 ATOM 12 HE3 MET 1 17.027 -9.487 -10.360 1.00 15.44 ATOM 13 C MET 1 15.626 -6.652 -4.979 1.00 14.53 ATOM 14 O MET 1 16.539 -6.140 -5.625 1.00 23.24 ATOM 15 N MET 1 14.135 -6.579 -6.931 1.00 12.20 ATOM 16 HT1 MET 1 13.424 -7.099 -7.490 1.00 36.60 ATOM 17 HT2 MET 1 14.996 -6.463 -7.504 1.00 36.60 ATOM 18 HT3 MET 1 13.753 -5.633 -6.722 1.00 36.60 ATOM 19 CA MET 1 14.425 -7.275 -5.683 1.00 34.02 ATOM 20 N GLY 2 15.617 -6.697 -3.650 1.00 33.52 ATOM 21 HN GLY 2 14.853 -7.108 -3.180 1.00 36.60 ATOM 22 CA GLY 2 16.710 -6.133 -2.881 1.00 24.12 ATOM 23 HA1 GLY 2 16.452 -5.118 -2.617 1.00 36.60 ATOM 24 HA2 GLY 2 17.615 -6.112 -3.479 1.00 62.20 ATOM 25 C GLY 2 16.980 -6.905 -1.604 1.00 44.24 ATOM 26 O GLY 2 16.161 -6.905 -0.685 1.00 1.41 ATOM 27 N HIS 3 18.132 -7.567 -1.547 1.00 52.40 ATOM 28 HN HIS 3 18.758 -7.521 -2.309 1.00 36.60 ATOM 29 CA HIS 3 18.507 -8.347 -0.374 1.00 21.54 ATOM 30 HA HIS 3 17.608 -8.742 0.085 1.00 22.14 ATOM 31 CB HIS 3 19.397 -9.523 -0.780 1.00 53.31 ATOM 32 HB1 HIS 3 20.229 -9.150 -1.360 1.00 36.60 ATOM 33 HB2 HIS 3 18.821 -10.207 -1.385 1.00 23.44 ATOM 34 CG HIS 3 19.945 -10.289 0.384 1.00 61.42 ATOM 35 ND1 HIS 3 19.190 -10.623 1.488 1.00 20.13 ATOM 36 HD1 HIS 3 18.245 -10.400 1.624 1.00 41.23 ATOM 37 CD2 HIS 3 21.182 -10.790 0.610 1.00 2.25 ATOM 38 HD2 HIS 3 22.034 -10.717 -0.051 1.00 44.34 ATOM 39 CE1 HIS 3 19.939 -11.294 2.345 1.00 44.02 ATOM 40 HE1 HIS 3 19.614 -11.683 3.298 1.00 53.14 ATOM 41 NE2 HIS 3 21.153 -11.409 1.836 1.00 73.23 ATOM 42 HE2 HIS 3 21.930 -11.777 2.306 1.00 36.60 ATOM 43 C HIS 3 19.230 -7.477 0.650 1.00 42.13 ATOM 44 O HIS 3 19.167 -7.733 1.853 1.00 41.43 ATOM 45 N HIS 4 19.918 -6.448 0.164 1.00 74.00 ATOM 46 HN HIS 4 19.945 -6.290 -0.808 1.00 36.60 ATOM 47 CA HIS 4 20.653 -5.540 1.037 1.00 40.33 ATOM 48 HA HIS 4 21.149 -6.131 1.799 1.00 14.04 ATOM 49 CB HIS 4 21.701 -4.766 0.236 1.00 53.22 ATOM 50 HB1 HIS 4 21.976 -3.863 0.769 1.00 36.60 ATOM 51 HB2 HIS 4 21.286 -4.492 -0.724 1.00 22.51 ATOM 52 CG HIS 4 22.960 -5.539 -0.007 1.00 3.11 ATOM 53 ND1 HIS 4 23.577 -6.298 0.965 1.00 10.55 ATOM 54 HD1 HIS 4 23.273 -6.403 1.890 1.00 23.24 ATOM 55 CD2 HIS 4 23.718 -5.669 -1.121 1.00 23.23 ATOM 56 HD2 HIS 4 23.531 -5.209 -2.081 1.00 63.12 ATOM 57 CE1 HIS 4 24.661 -6.860 0.461 1.00 52.41 ATOM 58 HE1 HIS 4 25.342 -7.509 0.992 1.00 3.31 ATOM 59 NE2 HIS 4 24.769 -6.495 -0.804 1.00 0.31 ATOM 60 HE2 HIS 4 25.431 -6.843 -1.438 1.00 36.60 ATOM 61 C HIS 4 19.705 -4.566 1.731 1.00 70.43 ATOM 62 O HIS 4 18.654 -4.216 1.192 1.00 63.51 ATOM 63 N HIS 5 20.082 -4.133 2.929 1.00 25.13 ATOM 64 HN HIS 5 20.931 -4.443 3.317 1.00 36.60 ATOM 65 CA HIS 5 19.265 -3.200 3.697 1.00 25.22 ATOM 66 HA HIS 5 19.781 -3.010 4.628 1.00 13.23 ATOM 67 CB HIS 5 19.093 -1.889 2.930 1.00 45.02 ATOM 68 HB1 HIS 5 18.245 -1.955 2.259 1.00 36.60 ATOM 69 HB2 HIS 5 19.984 -1.704 2.345 1.00 54.11 ATOM 70 CG HIS 5 18.893 -0.698 3.816 1.00 65.21 ATOM 71 ND1 HIS 5 17.823 0.162 3.691 1.00 73.42 ATOM 72 HD1 HIS 5 17.104 0.088 3.030 1.00 72.24 ATOM 73 CD2 HIS 5 19.634 -0.227 4.846 1.00 2.11 ATOM 74 HD2 HIS 5 20.550 -0.657 5.225 1.00 20.53 ATOM 75 CE1 HIS 5 17.914 1.111 4.605 1.00 44.24 ATOM 76 HE1 HIS 5 17.215 1.922 4.746 1.00 51.42 ATOM 77 NE2 HIS 5 19.005 0.898 5.319 1.00 14.11 ATOM 78 HE2 HIS 5 19.261 1.398 6.122 1.00 36.60 ATOM 79 C HIS 5 17.899 -3.804 4.009 1.00 4.21 ATOM 80 O HIS 5 16.880 -3.115 3.963 1.00 13.22 ATOM 81 N HIS 6 17.886 -5.095 4.326 1.00 45.23 ATOM 82 HN HIS 6 18.731 -5.603 4.349 1.00 36.60 ATOM 83 CA HIS 6 16.645 -5.791 4.645 1.00 23.20 ATOM 84 HA HIS 6 15.934 -5.065 5.028 1.00 2.23 ATOM 85 CB HIS 6 16.061 -6.438 3.389 1.00 62.31 ATOM 86 HB1 HIS 6 16.713 -7.237 3.058 1.00 36.60 ATOM 87 HB2 HIS 6 15.997 -5.692 2.611 1.00 40.11 ATOM 88 CG HIS 6 14.689 -7.005 3.590 1.00 65.22 ATOM 89 ND1 HIS 6 13.711 -6.366 4.321 1.00 33.12 ATOM 90 HD1 HIS 6 13.805 -5.501 4.771 1.00 35.55 ATOM 91 CD2 HIS 6 14.135 -8.158 3.148 1.00 34.13 ATOM 92 HD2 HIS 6 14.618 -8.909 2.539 1.00 12.21 ATOM 93 CE1 HIS 6 12.614 -7.102 4.322 1.00 32.24 ATOM 94 HE1 HIS 6 11.686 -6.852 4.814 1.00 31.52 ATOM 95 NE2 HIS 6 12.845 -8.195 3.617 1.00 15.12 ATOM 96 HE2 HIS 6 12.172 -8.866 3.379 1.00 36.60 ATOM 97 C HIS 6 16.878 -6.852 5.717 1.00 53.21 ATOM 98 O HIS 6 17.862 -7.591 5.671 1.00 52.43 ATOM 99 N HIS 7 15.966 -6.921 6.682 1.00 41.21 ATOM 100 HN HIS 7 15.189 -6.313 6.659 1.00 36.60 ATOM 101 CA HIS 7 16.072 -7.891 7.766 1.00 61.12 ATOM 102 HA HIS 7 17.124 -8.005 7.998 1.00 33.41 ATOM 103 CB HIS 7 15.341 -7.382 9.008 1.00 54.30 ATOM 104 HB1 HIS 7 14.276 -7.553 8.906 1.00 36.60 ATOM 105 HB2 HIS 7 15.515 -6.319 9.107 1.00 54.42 ATOM 106 CG HIS 7 15.798 -8.028 10.280 1.00 40.55 ATOM 107 ND1 HIS 7 17.117 -8.341 10.532 1.00 32.13 ATOM 108 HD1 HIS 7 17.873 -8.172 9.934 1.00 63.22 ATOM 109 CD2 HIS 7 15.104 -8.417 11.374 1.00 33.41 ATOM 110 HD2 HIS 7 14.038 -8.322 11.524 1.00 42.24 ATOM 111 CE1 HIS 7 17.214 -8.897 11.726 1.00 33.55 ATOM 112 HE1 HIS 7 18.126 -9.244 12.189 1.00 54.32 ATOM 113 NE2 HIS 7 16.006 -8.955 12.259 1.00 61.05 ATOM 114 HE2 HIS 7 15.807 -9.228 13.179 1.00 36.60 ATOM 115 C HIS 7 15.502 -9.242 7.343 1.00 3.15 ATOM 116 O HIS 7 14.335 -9.344 6.965 1.00 13.14 ATOM 117 N HIS 8 16.334 -10.277 7.410 1.00 42.44 ATOM 118 HN HIS 8 17.239 -10.142 7.759 1.00 36.60 ATOM 119 CA HIS 8 15.913 -11.621 7.034 1.00 71.52 ATOM 120 HA HIS 8 14.967 -11.562 6.505 1.00 53.11 ATOM 121 CB HIS 8 16.940 -12.257 6.097 1.00 63.41 ATOM 122 HB1 HIS 8 17.048 -11.634 5.221 1.00 36.60 ATOM 123 HB2 HIS 8 16.593 -13.235 5.794 1.00 33.45 ATOM 124 CG HIS 8 18.295 -12.419 6.715 1.00 41.03 ATOM 125 ND1 HIS 8 18.763 -13.622 7.199 1.00 33.31 ATOM 126 HD1 HIS 8 18.274 -14.471 7.191 1.00 5.11 ATOM 127 CD2 HIS 8 19.285 -11.520 6.924 1.00 24.42 ATOM 128 HD2 HIS 8 19.263 -10.471 6.665 1.00 12.33 ATOM 129 CE1 HIS 8 19.981 -13.457 7.681 1.00 3.44 ATOM 130 HE1 HIS 8 20.595 -14.227 8.125 1.00 23.24 ATOM 131 NE2 HIS 8 20.322 -12.190 7.526 1.00 2.13 ATOM 132 HE2 HIS 8 21.209 -11.817 7.711 1.00 36.60 ATOM 133 C HIS 8 15.723 -12.496 8.269 1.00 22.52 ATOM 134 O HIS 8 16.452 -12.366 9.252 1.00 4.22 ATOM 135 N SER 9 14.739 -13.388 8.212 1.00 52.23 ATOM 136 HN SER 9 14.183 -13.451 7.402 1.00 36.60 ATOM 137 CA SER 9 14.450 -14.281 9.328 1.00 64.14 ATOM 138 HA SER 9 15.191 -14.128 10.105 1.00 71.32 ATOM 139 CB SER 9 13.074 -13.967 9.918 1.00 43.44 ATOM 140 HB1 SER 9 12.805 -14.721 10.648 1.00 36.60 ATOM 141 HB2 SER 9 12.340 -13.957 9.127 1.00 34.51 ATOM 142 OG SER 9 13.070 -12.702 10.556 1.00 3.43 ATOM 143 HG SER 9 13.456 -12.780 11.432 1.00 62.13 ATOM 144 C SER 9 14.505 -15.740 8.884 1.00 53.23 ATOM 145 O SER 9 13.851 -16.131 7.916 1.00 30.22 ATOM 146 N HIS 10 15.289 -16.540 9.598 1.00 22.42 ATOM 147 HN HIS 10 15.789 -16.170 10.365 1.00 36.60 ATOM 148 CA HIS 10 15.430 -17.957 9.279 1.00 15.24 ATOM 149 HA HIS 10 15.818 -18.036 8.270 1.00 43.35 ATOM 150 CB HIS 10 16.400 -18.627 10.252 1.00 5.53 ATOM 151 HB1 HIS 10 16.153 -19.678 10.353 1.00 36.60 ATOM 152 HB2 HIS 10 16.319 -18.156 11.221 1.00 64.35 ATOM 153 CG HIS 10 17.833 -18.542 9.822 1.00 34.51 ATOM 154 ND1 HIS 10 18.378 -17.420 9.235 1.00 35.01 ATOM 155 HD1 HIS 10 17.901 -16.586 9.043 1.00 35.52 ATOM 156 CD2 HIS 10 18.834 -19.449 9.898 1.00 25.51 ATOM 157 HD2 HIS 10 18.764 -20.447 10.306 1.00 64.41 ATOM 158 CE1 HIS 10 19.652 -17.641 8.967 1.00 1.20 ATOM 159 HE1 HIS 10 20.331 -16.939 8.506 1.00 72.23 ATOM 160 NE2 HIS 10 19.955 -18.865 9.360 1.00 34.00 ATOM 161 HE2 HIS 10 20.806 -19.319 9.188 1.00 36.60 ATOM 162 C HIS 10 14.077 -18.661 9.327 1.00 52.13 ATOM 163 O HIS 10 13.866 -19.666 8.648 1.00 15.34 ATOM 164 N MET 11 13.165 -18.127 10.133 1.00 40.23 ATOM 165 HN MET 11 13.384 -17.353 10.694 1.00 36.60 ATOM 166 CA MET 11 11.833 -18.704 10.268 1.00 72.43 ATOM 167 HA MET 11 11.291 -18.110 10.991 1.00 24.01 ATOM 168 CB MET 11 11.097 -18.663 8.927 1.00 43.22 ATOM 169 HB1 MET 11 11.505 -19.413 8.263 1.00 36.60 ATOM 170 HB2 MET 11 11.259 -17.687 8.486 1.00 71.52 ATOM 171 CG MET 11 9.601 -18.899 9.047 1.00 35.11 ATOM 172 HG1 MET 11 9.222 -18.364 9.908 1.00 36.60 ATOM 173 HG2 MET 11 9.420 -19.953 9.172 1.00 52.00 ATOM 174 SD MET 11 8.691 -18.347 7.591 1.00 10.04 ATOM 175 CE MET 11 7.074 -19.044 7.918 1.00 72.30 ATOM 176 HE1 MET 11 6.690 -18.644 8.845 1.00 1.12 ATOM 177 HE2 MET 11 7.154 -20.118 7.996 1.00 45.15 ATOM 178 HE3 MET 11 6.403 -18.790 7.111 1.00 4.32 ATOM 179 C MET 11 11.912 -20.141 10.773 1.00 31.41 ATOM 180 O MET 11 10.999 -20.937 10.554 1.00 25.03 ATOM 181 N ASN 12 13.009 -20.467 11.450 1.00 53.43 ATOM 182 HN ASN 12 13.684 -19.783 11.652 1.00 36.60 ATOM 183 CA ASN 12 13.207 -21.809 11.985 1.00 13.42 ATOM 184 HA ASN 12 13.178 -22.506 11.155 1.00 20.12 ATOM 185 CB ASN 12 14.561 -21.904 12.691 1.00 13.23 ATOM 186 HB1 ASN 12 14.530 -22.673 13.454 1.00 36.60 ATOM 187 HB2 ASN 12 14.792 -20.960 13.153 1.00 55.11 ATOM 188 CG ASN 12 15.688 -22.245 11.736 1.00 20.31 ATOM 189 OD1 ASN 12 15.466 -22.444 10.542 1.00 52.23 ATOM 190 ND2 ASN 12 16.906 -22.315 12.260 1.00 23.50 ATOM 191 HD21 ASN 12 17.024 -22.147 13.222 1.00 63.41 ATOM 192 HD22 ASN 12 17.649 -22.534 11.659 1.00 54.20 ATOM 193 C ASN 12 12.088 -22.178 12.955 1.00 50.14 ATOM 194 O ASN 12 11.505 -21.311 13.605 1.00 1.34 ATOM 195 N SER 13 11.794 -23.471 13.046 1.00 41.03 ATOM 196 HN SER 13 12.306 -24.121 12.507 1.00 36.60 ATOM 197 CA SER 13 10.743 -23.955 13.933 1.00 23.51 ATOM 198 HA SER 13 9.866 -23.342 13.788 1.00 65.15 ATOM 199 CB SER 13 10.389 -25.405 13.595 1.00 53.34 ATOM 200 HB1 SER 13 9.865 -25.862 14.426 1.00 36.60 ATOM 201 HB2 SER 13 11.293 -25.962 13.395 1.00 41.31 ATOM 202 OG SER 13 9.551 -25.472 12.454 1.00 54.42 ATOM 203 HG SER 13 10.082 -25.389 11.658 1.00 4.21 ATOM 204 C SER 13 11.175 -23.853 15.393 1.00 60.22 ATOM 205 O SER 13 10.352 -23.636 16.281 1.00 34.32 ATOM 206 N ALA 14 12.473 -24.011 15.632 1.00 72.31 ATOM 207 HN ALA 14 13.089 -24.198 14.886 1.00 36.60 ATOM 208 CA ALA 14 13.016 -23.935 16.983 1.00 75.15 ATOM 209 HA ALA 14 12.472 -24.616 17.610 1.00 11.24 ATOM 210 CB ALA 14 14.479 -24.351 16.987 1.00 30.55 ATOM 211 HB1 ALA 14 14.887 -24.273 17.978 1.00 74.22 ATOM 212 HB2 ALA 14 15.033 -23.700 16.327 1.00 34.21 ATOM 213 HB3 ALA 14 14.570 -25.364 16.635 1.00 72.55 ATOM 214 C ALA 14 12.861 -22.531 17.558 1.00 70.41 ATOM 215 O ALA 14 12.727 -22.359 18.769 1.00 52.02 ATOM 216 N GLU 15 12.882 -21.532 16.682 1.00 54.15 ATOM 217 HN GLU 15 13.008 -21.723 15.724 1.00 36.60 ATOM 218 CA GLU 15 12.745 -20.143 17.104 1.00 22.14 ATOM 219 HA GLU 15 13.504 -19.940 17.851 1.00 33.24 ATOM 220 CB GLU 15 12.950 -19.202 15.915 1.00 22.24 ATOM 221 HB1 GLU 15 12.563 -18.224 16.179 1.00 36.60 ATOM 222 HB2 GLU 15 12.395 -19.578 15.070 1.00 40.00 ATOM 223 CG GLU 15 14.404 -19.052 15.502 1.00 65.14 ATOM 224 HG1 GLU 15 14.688 -19.906 14.915 1.00 36.60 ATOM 225 HG2 GLU 15 15.023 -19.007 16.389 1.00 24.03 ATOM 226 CD GLU 15 14.653 -17.796 14.690 1.00 5.40 ATOM 227 OE1 GLU 15 13.885 -16.824 14.851 1.00 24.15 ATOM 228 OE2 GLU 15 15.615 -17.784 13.894 1.00 43.31 ATOM 229 C GLU 15 11.376 -19.897 17.731 1.00 31.34 ATOM 230 O GLU 15 11.277 -19.470 18.881 1.00 33.12 ATOM 231 N GLN 16 10.324 -20.170 16.966 1.00 12.04 ATOM 232 HN GLN 16 10.470 -20.509 16.050 1.00 36.60 ATOM 233 CA GLN 16 8.960 -19.977 17.446 1.00 24.23 ATOM 234 HA GLN 16 8.836 -18.931 17.693 1.00 33.32 ATOM 235 CB GLN 16 7.956 -20.348 16.354 1.00 34.13 ATOM 236 HB1 GLN 16 8.141 -19.726 15.490 1.00 36.60 ATOM 237 HB2 GLN 16 6.956 -20.147 16.720 1.00 55.13 ATOM 238 CG GLN 16 8.040 -21.802 15.918 1.00 10.03 ATOM 239 HG1 GLN 16 8.172 -22.441 16.775 1.00 36.60 ATOM 240 HG2 GLN 16 8.892 -21.912 15.266 1.00 41.41 ATOM 241 CD GLN 16 6.795 -22.266 15.189 1.00 54.33 ATOM 242 OE1 GLN 16 5.697 -22.262 15.746 1.00 12.44 ATOM 243 NE2 GLN 16 6.959 -22.669 13.934 1.00 13.22 ATOM 244 HE21 GLN 16 7.855 -22.650 13.535 1.00 51.34 ATOM 245 HE22 GLN 16 6.165 -22.975 13.448 1.00 20.44 ATOM 246 C GLN 16 8.701 -20.810 18.697 1.00 33.40 ATOM 247 O GLN 16 7.848 -20.470 19.518 1.00 40.43 ATOM 248 N THR 17 9.441 -21.906 18.837 1.00 3.40 ATOM 249 HN THR 17 10.079 -22.164 18.135 1.00 36.60 ATOM 250 CA THR 17 9.290 -22.789 19.987 1.00 42.44 ATOM 251 HA THR 17 8.236 -23.011 20.111 1.00 23.45 ATOM 252 CB THR 17 10.036 -24.120 19.774 1.00 10.45 ATOM 253 HB THR 17 11.084 -23.911 19.634 1.00 42.30 ATOM 254 OG1 THR 17 9.532 -24.783 18.610 1.00 63.12 ATOM 255 HG1 THR 17 10.262 -25.098 18.072 1.00 42.31 ATOM 256 CG2 THR 17 9.882 -25.025 20.987 1.00 71.41 ATOM 257 HG21 THR 17 10.562 -24.715 21.766 1.00 4.45 ATOM 258 HG22 THR 17 10.116 -26.018 20.682 1.00 32.42 ATOM 259 HG23 THR 17 8.864 -24.994 21.355 1.00 15.45 ATOM 260 C THR 17 9.806 -22.127 21.259 1.00 23.34 ATOM 261 O THR 17 9.147 -22.158 22.299 1.00 71.45 ATOM 262 N VAL 18 10.990 -21.528 21.172 1.00 73.14 ATOM 263 HN VAL 18 11.470 -21.535 20.310 1.00 36.60 ATOM 264 CA VAL 18 11.594 -20.857 22.316 1.00 33.14 ATOM 265 HA VAL 18 11.788 -21.602 23.077 1.00 13.42 ATOM 266 CB VAL 18 12.929 -20.190 21.936 1.00 53.22 ATOM 267 HB VAL 18 12.739 -19.458 21.162 1.00 35.30 ATOM 268 CG1 VAL 18 13.526 -19.469 23.134 1.00 4.14 ATOM 269 HG11 VAL 18 14.570 -19.244 22.952 1.00 74.32 ATOM 270 HG12 VAL 18 13.442 -20.085 24.014 1.00 4.33 ATOM 271 HG13 VAL 18 12.994 -18.543 23.297 1.00 54.45 ATOM 272 CG2 VAL 18 13.901 -21.221 21.384 1.00 22.32 ATOM 273 HG21 VAL 18 13.516 -22.216 21.514 1.00 53.12 ATOM 274 HG22 VAL 18 14.858 -21.146 21.877 1.00 55.33 ATOM 275 HG23 VAL 18 14.042 -21.036 20.331 1.00 51.33 ATOM 276 C VAL 18 10.656 -19.802 22.892 1.00 4.41 ATOM 277 O VAL 18 10.358 -19.805 24.087 1.00 54.11 ATOM 278 N THR 19 10.194 -18.897 22.034 1.00 32.51 ATOM 279 HN THR 19 10.466 -18.947 21.086 1.00 36.60 ATOM 280 CA THR 19 9.290 -17.835 22.457 1.00 45.32 ATOM 281 HA THR 19 9.743 -17.310 23.281 1.00 11.31 ATOM 282 CB THR 19 9.045 -16.822 21.323 1.00 44.44 ATOM 283 HB THR 19 8.608 -17.342 20.480 1.00 70.13 ATOM 284 OG1 THR 19 10.286 -16.234 20.914 1.00 13.13 ATOM 285 HG1 THR 19 10.213 -15.923 20.008 1.00 74.51 ATOM 286 CG2 THR 19 8.084 -15.730 21.770 1.00 64.50 ATOM 287 HG21 THR 19 8.367 -15.363 22.748 1.00 23.04 ATOM 288 HG22 THR 19 7.077 -16.119 21.806 1.00 11.00 ATOM 289 HG23 THR 19 8.122 -14.915 21.062 1.00 71.34 ATOM 290 C THR 19 7.951 -18.401 22.915 1.00 64.11 ATOM 291 O THR 19 7.298 -17.840 23.795 1.00 62.13 ATOM 292 N TRP 20 7.549 -19.515 22.314 1.00 0.10 ATOM 293 HN TRP 20 8.102 -19.914 21.603 1.00 36.60 ATOM 294 CA TRP 20 6.287 -20.158 22.662 1.00 53.52 ATOM 295 HA TRP 20 5.491 -19.444 22.502 1.00 12.13 ATOM 296 CB TRP 20 6.043 -21.369 21.761 1.00 34.41 ATOM 297 HB1 TRP 20 6.901 -22.015 21.787 1.00 36.60 ATOM 298 HB2 TRP 20 5.886 -21.026 20.751 1.00 1.52 ATOM 299 CG TRP 20 4.838 -22.169 22.155 1.00 20.43 ATOM 300 CD1 TRP 20 3.595 -21.687 22.450 1.00 33.42 ATOM 301 HD1 TRP 20 3.328 -20.641 22.433 1.00 3.33 ATOM 302 CD2 TRP 20 4.764 -23.592 22.299 1.00 14.12 ATOM 303 NE1 TRP 20 2.752 -22.725 22.769 1.00 52.32 ATOM 304 HE1 TRP 20 1.808 -22.635 23.016 1.00 43.41 ATOM 305 CE2 TRP 20 3.444 -23.903 22.683 1.00 64.33 ATOM 306 CE3 TRP 20 5.682 -24.633 22.139 1.00 11.03 ATOM 307 HE3 TRP 20 6.703 -24.437 21.846 1.00 31.04 ATOM 308 CZ2 TRP 20 3.025 -25.211 22.909 1.00 35.42 ATOM 309 HZ2 TRP 20 2.012 -25.443 23.203 1.00 41.24 ATOM 310 CZ3 TRP 20 5.264 -25.931 22.365 1.00 53.41 ATOM 311 HZ3 TRP 20 5.960 -26.748 22.248 1.00 73.22 ATOM 312 CH2 TRP 20 3.945 -26.211 22.746 1.00 53.14 ATOM 313 HH2 TRP 20 3.675 -27.225 22.908 1.00 22.02 ATOM 314 C TRP 20 6.279 -20.586 24.125 1.00 62.30 ATOM 315 O TRP 20 5.283 -20.412 24.828 1.00 30.12 ATOM 316 N LEU 21 7.395 -21.147 24.578 1.00 32.23 ATOM 317 HN LEU 21 8.162 -21.266 23.969 1.00 36.60 ATOM 318 CA LEU 21 7.516 -21.601 25.959 1.00 5.24 ATOM 319 HA LEU 21 6.646 -22.196 26.201 1.00 11.30 ATOM 320 CB LEU 21 8.767 -22.466 26.125 1.00 43.25 ATOM 321 HB1 LEU 21 8.835 -22.770 27.163 1.00 36.60 ATOM 322 HB2 LEU 21 9.629 -21.851 25.894 1.00 11.43 ATOM 323 CG LEU 21 8.833 -23.724 25.258 1.00 54.11 ATOM 324 HG LEU 21 8.721 -23.448 24.225 1.00 20.13 ATOM 325 CD1 LEU 21 10.180 -24.412 25.416 1.00 52.42 ATOM 326 HD11 LEU 21 10.970 -23.731 25.132 1.00 15.11 ATOM 327 HD12 LEU 21 10.219 -25.285 24.779 1.00 64.40 ATOM 328 HD13 LEU 21 10.318 -24.713 26.446 1.00 10.20 ATOM 329 CD2 LEU 21 7.700 -24.676 25.614 1.00 25.33 ATOM 330 HD21 LEU 21 7.764 -24.945 26.659 1.00 4.24 ATOM 331 HD22 LEU 21 7.774 -25.570 25.009 1.00 62.54 ATOM 332 HD23 LEU 21 6.750 -24.200 25.423 1.00 34.11 ATOM 333 C LEU 21 7.573 -20.416 26.919 1.00 63.33 ATOM 334 O LEU 21 7.099 -20.500 28.052 1.00 4.22 ATOM 335 N ILE 22 8.154 -19.314 26.456 1.00 72.30 ATOM 336 HN ILE 22 8.521 -19.300 25.542 1.00 36.60 ATOM 337 CA ILE 22 8.269 -18.112 27.272 1.00 51.11 ATOM 338 HA ILE 22 8.612 -18.397 28.254 1.00 72.20 ATOM 339 CB ILE 22 9.283 -17.120 26.673 1.00 42.14 ATOM 340 HB ILE 22 8.927 -16.824 25.694 1.00 71.31 ATOM 341 CG1 ILE 22 10.655 -17.783 26.531 1.00 50.32 ATOM 342 HG11 ILE 22 10.549 -18.781 26.146 1.00 36.60 ATOM 343 HG12 ILE 22 11.130 -17.840 27.500 1.00 51.31 ATOM 344 CG2 ILE 22 9.379 -15.872 27.538 1.00 74.30 ATOM 345 HG21 ILE 22 10.158 -15.227 27.154 1.00 2.43 ATOM 346 HG22 ILE 22 9.616 -16.148 28.556 1.00 72.21 ATOM 347 HG23 ILE 22 8.443 -15.334 27.519 1.00 55.14 ATOM 348 CD1 ILE 22 11.593 -17.039 25.605 1.00 34.15 ATOM 349 HD11 ILE 22 11.108 -16.856 24.663 1.00 1.41 ATOM 350 HD12 ILE 22 12.472 -17.638 25.437 1.00 51.24 ATOM 351 HD13 ILE 22 11.873 -16.103 26.047 1.00 72.32 ATOM 352 C ILE 22 6.920 -17.416 27.419 1.00 41.12 ATOM 353 O ILE 22 6.502 -17.074 28.525 1.00 2.55 ATOM 354 N THR 23 6.241 -17.210 26.295 1.00 73.54 ATOM 355 HN THR 23 6.630 -17.499 25.438 1.00 36.60 ATOM 356 CA THR 23 4.938 -16.556 26.297 1.00 24.23 ATOM 357 HA THR 23 5.050 -15.578 26.748 1.00 14.12 ATOM 358 CB THR 23 4.403 -16.364 24.866 1.00 62.12 ATOM 359 HB THR 23 5.152 -15.844 24.285 1.00 21.20 ATOM 360 OG1 THR 23 3.204 -15.582 24.892 1.00 70.11 ATOM 361 HG1 THR 23 3.428 -14.651 24.962 1.00 24.23 ATOM 362 CG2 THR 23 4.125 -17.707 24.207 1.00 12.14 ATOM 363 HG21 THR 23 3.840 -17.544 23.178 1.00 61.30 ATOM 364 HG22 THR 23 3.325 -18.220 24.717 1.00 11.11 ATOM 365 HG23 THR 23 5.006 -18.294 24.236 1.00 64.30 ATOM 366 C THR 23 3.923 -17.357 27.104 1.00 14.43 ATOM 367 O THR 23 2.966 -16.800 27.644 1.00 12.24 ATOM 368 N LEU 24 4.136 -18.665 27.183 1.00 21.44 ATOM 369 HN LEU 24 4.899 -19.067 26.710 1.00 36.60 ATOM 370 CA LEU 24 3.239 -19.543 27.926 1.00 33.52 ATOM 371 HA LEU 24 2.218 -19.289 27.664 1.00 23.41 ATOM 372 CB LEU 24 3.499 -21.004 27.554 1.00 74.13 ATOM 373 HB1 LEU 24 3.237 -21.635 28.398 1.00 36.60 ATOM 374 HB2 LEU 24 4.564 -21.114 27.385 1.00 15.23 ATOM 375 CG LEU 24 2.755 -21.526 26.324 1.00 41.45 ATOM 376 HG LEU 24 2.726 -20.753 25.567 1.00 44.22 ATOM 377 CD1 LEU 24 3.479 -22.725 25.731 1.00 50.42 ATOM 378 HD11 LEU 24 2.773 -23.455 25.352 1.00 61.23 ATOM 379 HD12 LEU 24 4.095 -23.178 26.484 1.00 45.05 ATOM 380 HD13 LEU 24 4.110 -22.401 24.931 1.00 44.50 ATOM 381 CD2 LEU 24 1.321 -21.889 26.681 1.00 24.33 ATOM 382 HD21 LEU 24 0.803 -22.233 25.797 1.00 54.43 ATOM 383 HD22 LEU 24 0.814 -21.018 27.073 1.00 4.10 ATOM 384 HD23 LEU 24 1.317 -22.672 27.427 1.00 10.10 ATOM 385 C LEU 24 3.410 -19.352 29.430 1.00 44.13 ATOM 386 O LEU 24 2.491 -19.605 30.207 1.00 1.10 ATOM 387 N GLY 25 4.595 -18.901 29.832 1.00 13.13 ATOM 388 HN GLY 25 5.312 -18.735 29.187 1.00 36.60 ATOM 389 CA GLY 25 4.865 -18.681 31.241 1.00 12.21 ATOM 390 HA1 GLY 25 3.972 -18.318 31.736 1.00 36.60 ATOM 391 HA2 GLY 25 5.635 -17.928 31.328 1.00 12.41 ATOM 392 C GLY 25 5.340 -19.937 31.944 1.00 71.25 ATOM 393 O GLY 25 4.969 -20.195 33.089 1.00 42.12 ATOM 394 N VAL 26 6.162 -20.723 31.256 1.00 62.04 ATOM 395 HN VAL 26 6.428 -20.462 30.350 1.00 36.60 ATOM 396 CA VAL 26 6.688 -21.960 31.820 1.00 4.02 ATOM 397 HA VAL 26 6.379 -22.046 32.857 1.00 35.22 ATOM 398 CB VAL 26 6.165 -23.192 31.058 1.00 45.01 ATOM 399 HB VAL 26 6.737 -24.062 31.356 1.00 43.54 ATOM 400 CG1 VAL 26 4.709 -23.458 31.407 1.00 1.31 ATOM 401 HG11 VAL 26 4.619 -23.639 32.469 1.00 32.21 ATOM 402 HG12 VAL 26 4.357 -24.320 30.870 1.00 53.53 ATOM 403 HG13 VAL 26 4.114 -22.598 31.139 1.00 1.23 ATOM 404 CG2 VAL 26 6.337 -23.002 29.558 1.00 34.23 ATOM 405 HG21 VAL 26 5.999 -23.893 29.047 1.00 72.22 ATOM 406 HG22 VAL 26 7.373 -22.840 29.318 1.00 13.11 ATOM 407 HG23 VAL 26 5.748 -22.163 29.221 1.00 62.20 ATOM 408 C VAL 26 8.213 -21.970 31.796 1.00 33.43 ATOM 409 O VAL 26 8.855 -22.491 32.709 1.00 5.42 ATOM 410 N LEU 27 8.786 -21.392 30.747 1.00 61.23 ATOM 411 HN LEU 27 8.242 -21.005 30.031 1.00 36.60 ATOM 412 CA LEU 27 10.237 -21.334 30.603 1.00 13.21 ATOM 413 HA LEU 27 10.697 -21.811 31.462 1.00 14.31 ATOM 414 CB LEU 27 10.676 -22.093 29.350 1.00 31.30 ATOM 415 HB1 LEU 27 10.110 -21.691 28.521 1.00 36.60 ATOM 416 HB2 LEU 27 10.405 -23.118 29.468 1.00 42.01 ATOM 417 CG LEU 27 12.161 -22.003 28.996 1.00 13.32 ATOM 418 HG LEU 27 12.463 -20.970 28.951 1.00 33.23 ATOM 419 CD1 LEU 27 13.005 -22.689 30.058 1.00 4.05 ATOM 420 HD11 LEU 27 12.747 -23.733 30.103 1.00 55.13 ATOM 421 HD12 LEU 27 12.824 -22.232 31.021 1.00 10.34 ATOM 422 HD13 LEU 27 14.053 -22.589 29.809 1.00 5.23 ATOM 423 CD2 LEU 27 12.421 -22.615 27.628 1.00 41.25 ATOM 424 HD21 LEU 27 12.146 -23.661 27.637 1.00 23.33 ATOM 425 HD22 LEU 27 13.470 -22.522 27.382 1.00 22.22 ATOM 426 HD23 LEU 27 11.835 -22.097 26.882 1.00 73.12 ATOM 427 C LEU 27 10.719 -19.888 30.531 1.00 71.52 ATOM 428 O LEU 27 10.269 -19.116 29.685 1.00 65.33 ATOM 429 N GLU 28 11.638 -19.531 31.423 1.00 73.24 ATOM 430 HN GLU 28 11.959 -20.194 32.080 1.00 36.60 ATOM 431 CA GLU 28 12.182 -18.179 31.458 1.00 14.31 ATOM 432 HA GLU 28 11.383 -17.508 31.742 1.00 12.34 ATOM 433 CB GLU 28 13.300 -18.082 32.497 1.00 24.14 ATOM 434 HB1 GLU 28 12.954 -18.525 33.421 1.00 36.60 ATOM 435 HB2 GLU 28 13.522 -17.038 32.670 1.00 1.03 ATOM 436 CG GLU 28 14.583 -18.781 32.078 1.00 52.11 ATOM 437 HG1 GLU 28 14.970 -18.314 31.185 1.00 36.60 ATOM 438 HG2 GLU 28 14.366 -19.819 31.875 1.00 32.45 ATOM 439 CD GLU 28 15.659 -18.714 33.144 1.00 43.22 ATOM 440 OE1 GLU 28 15.379 -18.178 34.236 1.00 14.15 ATOM 441 OE2 GLU 28 16.782 -19.196 32.886 1.00 74.34 ATOM 442 C GLU 28 12.710 -17.769 30.086 1.00 12.44 ATOM 443 O GLU 28 13.074 -18.616 29.271 1.00 3.31 ATOM 444 N SER 29 12.747 -16.463 29.839 1.00 24.14 ATOM 445 HN SER 29 12.457 -15.829 30.539 1.00 36.60 ATOM 446 CA SER 29 13.226 -15.940 28.565 1.00 5.45 ATOM 447 HA SER 29 12.939 -16.635 27.801 1.00 5.20 ATOM 448 CB SER 29 12.585 -14.582 28.274 1.00 13.31 ATOM 449 HB1 SER 29 11.711 -14.449 28.897 1.00 36.60 ATOM 450 HB2 SER 29 12.289 -14.528 27.243 1.00 11.13 ATOM 451 OG SER 29 13.488 -13.523 28.540 1.00 2.03 ATOM 452 HG SER 29 13.116 -12.697 28.221 1.00 10.53 ATOM 453 C SER 29 14.746 -15.806 28.570 1.00 3.01 ATOM 454 O SER 29 15.388 -15.767 29.620 1.00 64.01 ATOM 455 N PRO 30 15.337 -15.734 27.368 1.00 73.11 ATOM 456 CA PRO 30 16.788 -15.603 27.205 1.00 33.22 ATOM 457 HA PRO 30 17.319 -16.376 27.742 1.00 64.12 ATOM 458 CB PRO 30 16.994 -15.790 25.700 1.00 21.30 ATOM 459 HB1 PRO 30 17.196 -16.828 25.519 1.00 36.60 ATOM 460 HB2 PRO 30 17.814 -15.190 25.329 1.00 20.32 ATOM 461 CG PRO 30 15.698 -15.386 25.087 1.00 40.22 ATOM 462 HG1 PRO 30 15.553 -15.911 24.155 1.00 36.60 ATOM 463 HG2 PRO 30 15.686 -14.318 24.923 1.00 63.01 ATOM 464 CD PRO 30 14.633 -15.774 26.075 1.00 62.41 ATOM 465 HD1 PRO 30 14.283 -16.768 25.864 1.00 36.60 ATOM 466 HD2 PRO 30 13.829 -15.069 26.032 1.00 72.01 ATOM 467 C PRO 30 17.300 -14.237 27.647 1.00 13.43 ATOM 468 O PRO 30 16.562 -13.446 28.235 1.00 13.14 ATOM 469 N LYS 31 18.568 -13.964 27.360 1.00 21.03 ATOM 470 HN LYS 31 19.129 -14.649 26.930 1.00 36.60 ATOM 471 CA LYS 31 19.180 -12.692 27.726 1.00 15.04 ATOM 472 HA LYS 31 18.474 -12.121 28.311 1.00 32.50 ATOM 473 CB LYS 31 20.450 -12.930 28.545 1.00 64.41 ATOM 474 HB1 LYS 31 21.186 -12.166 28.317 1.00 36.60 ATOM 475 HB2 LYS 31 20.866 -13.893 28.279 1.00 31.03 ATOM 476 CG LYS 31 20.218 -12.922 30.046 1.00 52.01 ATOM 477 HG1 LYS 31 21.117 -13.263 30.542 1.00 36.60 ATOM 478 HG2 LYS 31 19.407 -13.601 30.277 1.00 24.33 ATOM 479 CD LYS 31 19.848 -11.535 30.545 1.00 22.21 ATOM 480 HD1 LYS 31 19.238 -11.645 31.430 1.00 36.60 ATOM 481 HD2 LYS 31 19.290 -10.991 29.798 1.00 31.02 ATOM 482 CE LYS 31 21.084 -10.727 30.912 1.00 75.30 ATOM 483 HE1 LYS 31 21.539 -10.358 30.005 1.00 36.60 ATOM 484 HE2 LYS 31 21.789 -11.361 31.436 1.00 75.35 ATOM 485 NZ LYS 31 20.750 -9.571 31.789 1.00 31.23 ATOM 486 HZ1 LYS 31 20.085 -8.930 31.307 1.00 3.04 ATOM 487 HZ2 LYS 31 21.614 -9.040 32.021 1.00 23.24 ATOM 488 HZ3 LYS 31 20.316 -9.903 32.676 1.00 62.14 ATOM 489 C LYS 31 19.509 -11.869 26.485 1.00 73.21 ATOM 490 O LYS 31 19.587 -10.642 26.543 1.00 13.13 ATOM 491 N LYS 32 19.700 -12.552 25.361 1.00 34.54 ATOM 492 HN LYS 32 19.669 -13.532 25.366 1.00 36.60 ATOM 493 CA LYS 32 20.017 -11.886 24.104 1.00 4.44 ATOM 494 HA LYS 32 19.514 -10.927 24.081 1.00 23.14 ATOM 495 CB LYS 32 21.526 -11.653 23.994 1.00 70.01 ATOM 496 HB1 LYS 32 21.816 -10.966 24.777 1.00 36.60 ATOM 497 HB2 LYS 32 21.756 -11.196 23.042 1.00 62.53 ATOM 498 CG LYS 32 22.350 -12.918 24.163 1.00 43.43 ATOM 499 HG1 LYS 32 21.779 -13.778 23.833 1.00 36.60 ATOM 500 HG2 LYS 32 22.594 -13.033 25.209 1.00 1.33 ATOM 501 CD LYS 32 23.644 -12.850 23.369 1.00 4.33 ATOM 502 HD1 LYS 32 24.314 -12.153 23.851 1.00 36.60 ATOM 503 HD2 LYS 32 23.432 -12.513 22.363 1.00 45.11 ATOM 504 CE LYS 32 24.321 -14.209 23.289 1.00 22.53 ATOM 505 HE1 LYS 32 23.642 -14.913 22.828 1.00 36.60 ATOM 506 HE2 LYS 32 24.559 -14.541 24.289 1.00 51.44 ATOM 507 NZ LYS 32 25.576 -14.158 22.489 1.00 72.43 ATOM 508 HZ1 LYS 32 26.253 -13.493 22.919 1.00 73.42 ATOM 509 HZ2 LYS 32 25.373 -13.849 21.516 1.00 71.50 ATOM 510 HZ3 LYS 32 26.012 -15.102 22.454 1.00 2.33 ATOM 511 C LYS 32 19.530 -12.706 22.915 1.00 65.54 ATOM 512 O LYS 32 18.875 -13.735 23.083 1.00 72.30 ATOM 513 N THR 33 19.856 -12.246 21.711 1.00 63.34 ATOM 514 HN THR 33 20.344 -11.396 21.628 1.00 36.60 ATOM 515 CA THR 33 19.452 -12.938 20.493 1.00 44.10 ATOM 516 HA THR 33 18.373 -12.857 20.420 1.00 15.43 ATOM 517 CB THR 33 20.077 -12.288 19.244 1.00 0.31 ATOM 518 HB THR 33 21.118 -12.585 19.170 1.00 43.33 ATOM 519 OG1 THR 33 20.014 -10.861 19.351 1.00 72.21 ATOM 520 HG1 THR 33 20.856 -10.520 19.665 1.00 33.12 ATOM 521 CG2 THR 33 19.358 -12.739 17.982 1.00 72.21 ATOM 522 HG21 THR 33 19.448 -13.810 17.875 1.00 73.20 ATOM 523 HG22 THR 33 19.803 -12.256 17.125 1.00 51.23 ATOM 524 HG23 THR 33 18.313 -12.469 18.043 1.00 32.35 ATOM 525 C THR 33 19.850 -14.409 20.539 1.00 52.13 ATOM 526 O THR 33 20.986 -14.744 20.875 1.00 70.33 ATOM 527 N ILE 34 18.908 -15.282 20.198 1.00 20.23 ATOM 528 HN ILE 34 18.018 -14.956 19.924 1.00 36.60 ATOM 529 CA ILE 34 19.162 -16.718 20.199 1.00 13.50 ATOM 530 HA ILE 34 19.889 -16.939 20.975 1.00 32.31 ATOM 531 CB ILE 34 17.880 -17.515 20.505 1.00 64.52 ATOM 532 HB ILE 34 17.191 -17.395 19.679 1.00 64.23 ATOM 533 CG1 ILE 34 17.217 -16.988 21.778 1.00 14.14 ATOM 534 HG11 ILE 34 16.285 -17.515 21.930 1.00 36.60 ATOM 535 HG12 ILE 34 17.005 -15.934 21.672 1.00 41.14 ATOM 536 CG2 ILE 34 18.199 -18.997 20.642 1.00 51.24 ATOM 537 HG21 ILE 34 18.999 -19.148 21.351 1.00 42.22 ATOM 538 HG22 ILE 34 18.498 -19.380 19.687 1.00 23.35 ATOM 539 HG23 ILE 34 17.319 -19.532 20.975 1.00 72.12 ATOM 540 CD1 ILE 34 18.059 -17.175 23.021 1.00 73.31 ATOM 541 HD11 ILE 34 17.512 -17.775 23.731 1.00 1.23 ATOM 542 HD12 ILE 34 18.267 -16.210 23.447 1.00 15.41 ATOM 543 HD13 ILE 34 18.997 -17.659 22.798 1.00 22.12 ATOM 544 C ILE 34 19.726 -17.177 18.859 1.00 55.23 ATOM 545 O ILE 34 18.988 -17.643 17.991 1.00 61.54 ATOM 546 N SER 35 21.038 -17.043 18.698 1.00 41.21 ATOM 547 HN SER 35 21.579 -16.671 19.436 1.00 36.60 ATOM 548 CA SER 35 21.702 -17.442 17.462 1.00 34.33 ATOM 549 HA SER 35 21.175 -16.991 16.631 1.00 55.21 ATOM 550 CB SER 35 23.148 -16.945 17.452 1.00 43.24 ATOM 551 HB1 SER 35 23.723 -17.491 16.713 1.00 36.60 ATOM 552 HB2 SER 35 23.588 -17.095 18.427 1.00 24.40 ATOM 553 OG SER 35 23.211 -15.565 17.135 1.00 12.12 ATOM 554 HG SER 35 23.135 -15.447 16.184 1.00 71.13 ATOM 555 C SER 35 21.672 -18.959 17.295 1.00 10.55 ATOM 556 O SER 35 21.738 -19.473 16.179 1.00 52.42 ATOM 557 N ASP 36 21.573 -19.668 18.414 1.00 74.41 ATOM 558 HN ASP 36 21.555 -19.219 19.288 1.00 36.60 ATOM 559 CA ASP 36 21.533 -21.126 18.393 1.00 21.03 ATOM 560 HA ASP 36 21.464 -21.472 17.371 1.00 20.11 ATOM 561 CB ASP 36 22.820 -21.701 18.988 1.00 52.22 ATOM 562 HB1 ASP 36 22.887 -22.749 18.737 1.00 36.60 ATOM 563 HB2 ASP 36 22.807 -21.593 20.066 1.00 3.02 ATOM 564 CG ASP 36 24.061 -21.004 18.465 1.00 33.21 ATOM 565 OD1 ASP 36 24.654 -20.204 19.218 1.00 1.15 ATOM 566 OD2 ASP 36 24.439 -21.260 17.303 1.00 0.10 ATOM 567 C ASP 36 20.325 -21.648 19.164 1.00 15.22 ATOM 568 O ASP 36 20.442 -22.165 20.275 1.00 21.32 ATOM 569 N PRO 37 19.134 -21.509 18.563 1.00 54.31 ATOM 570 CA PRO 37 17.880 -21.959 19.175 1.00 23.42 ATOM 571 HA PRO 37 17.751 -21.560 20.166 1.00 20.24 ATOM 572 CB PRO 37 16.806 -21.392 18.244 1.00 43.41 ATOM 573 HB1 PRO 37 16.477 -20.435 18.621 1.00 36.60 ATOM 574 HB2 PRO 37 15.958 -22.063 18.178 1.00 71.34 ATOM 575 CG PRO 37 17.488 -21.241 16.928 1.00 54.23 ATOM 576 HG1 PRO 37 17.028 -20.440 16.369 1.00 36.60 ATOM 577 HG2 PRO 37 17.430 -22.165 16.373 1.00 40.35 ATOM 578 CD PRO 37 18.919 -20.901 17.239 1.00 60.32 ATOM 579 HD1 PRO 37 19.054 -19.838 17.273 1.00 36.60 ATOM 580 HD2 PRO 37 19.568 -21.340 16.498 1.00 33.01 ATOM 581 C PRO 37 17.780 -23.480 19.239 1.00 2.44 ATOM 582 O PRO 37 17.323 -24.039 20.236 1.00 45.51 ATOM 583 N GLU 38 18.211 -24.142 18.170 1.00 34.13 ATOM 584 HN GLU 38 18.579 -23.648 17.405 1.00 36.60 ATOM 585 CA GLU 38 18.168 -25.598 18.107 1.00 64.32 ATOM 586 HA GLU 38 17.131 -25.900 18.095 1.00 50.33 ATOM 587 CB GLU 38 18.849 -26.095 16.830 1.00 70.24 ATOM 588 HB1 GLU 38 18.919 -27.177 16.865 1.00 36.60 ATOM 589 HB2 GLU 38 19.845 -25.681 16.783 1.00 63.14 ATOM 590 CG GLU 38 18.113 -25.709 15.558 1.00 51.42 ATOM 591 HG1 GLU 38 18.143 -24.634 15.454 1.00 36.60 ATOM 592 HG2 GLU 38 17.084 -26.033 15.636 1.00 53.43 ATOM 593 CD GLU 38 18.723 -26.332 14.318 1.00 64.42 ATOM 594 OE1 GLU 38 18.025 -27.115 13.641 1.00 34.44 ATOM 595 OE2 GLU 38 19.901 -26.037 14.024 1.00 12.21 ATOM 596 C GLU 38 18.842 -26.216 19.329 1.00 44.04 ATOM 597 O GLU 38 18.409 -27.250 19.834 1.00 75.31 ATOM 598 N GLY 39 19.908 -25.573 19.798 1.00 74.20 ATOM 599 HN GLY 39 20.236 -24.760 19.354 1.00 36.60 ATOM 600 CA GLY 39 20.625 -26.074 20.956 1.00 44.43 ATOM 601 HA1 GLY 39 21.652 -25.748 20.888 1.00 36.60 ATOM 602 HA2 GLY 39 20.609 -27.158 20.963 1.00 11.45 ATOM 603 C GLY 39 20.046 -25.566 22.261 1.00 33.22 ATOM 604 O GLY 39 19.953 -26.310 23.238 1.00 14.31 ATOM 605 N PHE 40 19.656 -24.296 22.280 1.00 50.14 ATOM 606 HN PHE 40 19.765 -23.742 21.471 1.00 36.60 ATOM 607 CA PHE 40 19.085 -23.689 23.476 1.00 13.31 ATOM 608 HA PHE 40 19.831 -23.721 24.258 1.00 53.31 ATOM 609 CB PHE 40 18.716 -22.228 23.206 1.00 31.53 ATOM 610 HB1 PHE 40 18.111 -22.181 22.309 1.00 36.60 ATOM 611 HB2 PHE 40 19.625 -21.664 23.041 1.00 53.33 ATOM 612 CG PHE 40 17.957 -21.584 24.331 1.00 25.13 ATOM 613 CD1 PHE 40 18.627 -21.067 25.429 1.00 51.55 ATOM 614 HD1 PHE 40 19.706 -21.128 25.475 1.00 63.55 ATOM 615 CD2 PHE 40 16.575 -21.495 24.291 1.00 24.43 ATOM 616 HD2 PHE 40 16.040 -21.898 23.445 1.00 51.11 ATOM 617 CE1 PHE 40 17.931 -20.474 26.465 1.00 2.23 ATOM 618 HE1 PHE 40 18.464 -20.075 27.315 1.00 55.33 ATOM 619 CE2 PHE 40 15.874 -20.903 25.325 1.00 23.31 ATOM 620 HE2 PHE 40 14.801 -20.845 25.288 1.00 62.44 ATOM 621 CZ PHE 40 16.553 -20.391 26.413 1.00 65.00 ATOM 622 HZ PHE 40 16.008 -19.928 27.222 1.00 52.31 ATOM 623 C PHE 40 17.852 -24.459 23.941 1.00 2.32 ATOM 624 O PHE 40 17.498 -24.432 25.121 1.00 71.14 ATOM 625 N LEU 41 17.203 -25.144 23.007 1.00 54.34 ATOM 626 HN LEU 41 17.495 -25.102 22.070 1.00 36.60 ATOM 627 CA LEU 41 16.009 -25.922 23.319 1.00 13.41 ATOM 628 HA LEU 41 15.459 -25.405 24.086 1.00 63.54 ATOM 629 CB LEU 41 15.123 -26.053 22.079 1.00 31.50 ATOM 630 HB1 LEU 41 14.462 -26.902 22.199 1.00 36.60 ATOM 631 HB2 LEU 41 15.778 -26.255 21.244 1.00 64.20 ATOM 632 CG LEU 41 14.272 -24.832 21.729 1.00 32.33 ATOM 633 HG LEU 41 14.899 -23.951 21.728 1.00 45.33 ATOM 634 CD1 LEU 41 13.672 -24.980 20.339 1.00 4.34 ATOM 635 HD11 LEU 41 13.175 -24.073 20.072 1.00 21.30 ATOM 636 HD12 LEU 41 12.962 -25.796 20.332 1.00 25.22 ATOM 637 HD13 LEU 41 14.455 -25.186 19.631 1.00 5.13 ATOM 638 CD2 LEU 41 13.176 -24.631 22.766 1.00 61.20 ATOM 639 HD21 LEU 41 13.620 -24.410 23.724 1.00 32.15 ATOM 640 HD22 LEU 41 12.581 -25.531 22.847 1.00 3.21 ATOM 641 HD23 LEU 41 12.536 -23.811 22.474 1.00 50.25 ATOM 642 C LEU 41 16.382 -27.305 23.841 1.00 33.51 ATOM 643 O LEU 41 15.840 -27.767 24.845 1.00 12.31 ATOM 644 N GLN 42 17.312 -27.961 23.154 1.00 55.23 ATOM 645 HN GLN 42 17.703 -27.545 22.349 1.00 36.60 ATOM 646 CA GLN 42 17.758 -29.291 23.549 1.00 33.35 ATOM 647 HA GLN 42 16.931 -29.973 23.409 1.00 44.25 ATOM 648 CB GLN 42 18.928 -29.741 22.673 1.00 20.44 ATOM 649 HB1 GLN 42 19.767 -29.074 22.827 1.00 36.60 ATOM 650 HB2 GLN 42 18.620 -29.674 21.638 1.00 64.35 ATOM 651 CG GLN 42 19.371 -31.172 22.937 1.00 15.30 ATOM 652 HG1 GLN 42 19.775 -31.573 22.018 1.00 36.60 ATOM 653 HG2 GLN 42 18.516 -31.768 23.232 1.00 73.43 ATOM 654 CD GLN 42 20.443 -31.263 24.004 1.00 20.45 ATOM 655 OE1 GLN 42 21.541 -30.728 23.846 1.00 74.33 ATOM 656 NE2 GLN 42 20.131 -31.944 25.101 1.00 35.00 ATOM 657 HE21 GLN 42 19.239 -32.353 25.177 1.00 43.42 ATOM 658 HE22 GLN 42 20.812 -32.013 25.802 1.00 40.14 ATOM 659 C GLN 42 18.169 -29.313 25.018 1.00 33.10 ATOM 660 O GLN 42 17.793 -30.217 25.764 1.00 10.43 ATOM 661 N ALA 43 18.943 -28.313 25.426 1.00 54.43 ATOM 662 HN ALA 43 19.215 -27.616 24.782 1.00 36.60 ATOM 663 CA ALA 43 19.403 -28.216 26.805 1.00 22.43 ATOM 664 HA ALA 43 19.803 -29.177 27.099 1.00 3.14 ATOM 665 CB ALA 43 20.527 -27.197 26.917 1.00 41.24 ATOM 666 HB1 ALA 43 21.328 -27.474 26.247 1.00 1.00 ATOM 667 HB2 ALA 43 20.900 -27.176 27.931 1.00 70.44 ATOM 668 HB3 ALA 43 20.158 -26.217 26.648 1.00 71.43 ATOM 669 C ALA 43 18.258 -27.848 27.742 1.00 33.11 ATOM 670 O ALA 43 18.089 -28.454 28.800 1.00 5.34 ATOM 671 N SER 44 17.473 -26.851 27.346 1.00 32.12 ATOM 672 HN SER 44 17.660 -26.399 26.488 1.00 36.60 ATOM 673 CA SER 44 16.345 -26.399 28.153 1.00 24.01 ATOM 674 HA SER 44 16.725 -26.082 29.115 1.00 22.24 ATOM 675 CB SER 44 15.653 -25.212 27.481 1.00 45.41 ATOM 676 HB1 SER 44 16.388 -24.473 27.211 1.00 36.60 ATOM 677 HB2 SER 44 14.947 -24.776 28.173 1.00 45.43 ATOM 678 OG SER 44 14.953 -25.621 26.319 1.00 42.52 ATOM 679 HG SER 44 14.404 -24.899 26.005 1.00 4.14 ATOM 680 C SER 44 15.344 -27.530 28.369 1.00 3.25 ATOM 681 O SER 44 14.597 -27.534 29.348 1.00 14.03 ATOM 682 N LEU 45 15.336 -28.488 27.449 1.00 15.41 ATOM 683 HN LEU 45 15.925 -28.429 26.665 1.00 36.60 ATOM 684 CA LEU 45 14.427 -29.625 27.537 1.00 34.35 ATOM 685 HA LEU 45 13.583 -29.358 28.163 1.00 15.31 ATOM 686 CB LEU 45 13.896 -29.989 26.149 1.00 3.44 ATOM 687 HB1 LEU 45 13.251 -30.856 26.235 1.00 36.60 ATOM 688 HB2 LEU 45 14.753 -30.262 25.557 1.00 61.34 ATOM 689 CG LEU 45 13.148 -28.881 25.406 1.00 65.43 ATOM 690 HG LEU 45 13.539 -27.916 25.698 1.00 34.04 ATOM 691 CD1 LEU 45 13.345 -29.020 23.904 1.00 33.41 ATOM 692 HD11 LEU 45 12.649 -29.735 23.518 1.00 40.13 ATOM 693 HD12 LEU 45 14.354 -29.335 23.673 1.00 32.22 ATOM 694 HD13 LEU 45 13.158 -28.065 23.439 1.00 34.35 ATOM 695 CD2 LEU 45 11.668 -28.909 25.757 1.00 40.02 ATOM 696 HD21 LEU 45 11.546 -28.782 26.824 1.00 71.53 ATOM 697 HD22 LEU 45 11.239 -29.855 25.458 1.00 21.40 ATOM 698 HD23 LEU 45 11.158 -28.106 25.243 1.00 55.40 ATOM 699 C LEU 45 15.123 -30.831 28.160 1.00 33.31 ATOM 700 O LEU 45 14.479 -31.819 28.515 1.00 71.14 ATOM 701 N LYS 46 16.442 -30.743 28.292 1.00 31.34 ATOM 702 HN LYS 46 16.908 -29.959 27.964 1.00 36.60 ATOM 703 CA LYS 46 17.227 -31.825 28.876 1.00 53.05 ATOM 704 HA LYS 46 17.180 -32.665 28.195 1.00 10.33 ATOM 705 CB LYS 46 18.684 -31.390 29.049 1.00 55.41 ATOM 706 HB1 LYS 46 18.810 -30.872 29.991 1.00 36.60 ATOM 707 HB2 LYS 46 18.934 -30.710 28.250 1.00 51.41 ATOM 708 CG LYS 46 19.674 -32.539 28.983 1.00 31.31 ATOM 709 HG1 LYS 46 19.876 -32.762 27.945 1.00 36.60 ATOM 710 HG2 LYS 46 19.243 -33.403 29.455 1.00 13.33 ATOM 711 CD LYS 46 20.982 -32.188 29.671 1.00 24.21 ATOM 712 HD1 LYS 46 21.174 -31.125 29.580 1.00 36.60 ATOM 713 HD2 LYS 46 21.779 -32.734 29.188 1.00 21.22 ATOM 714 CE LYS 46 20.958 -32.571 31.143 1.00 3.30 ATOM 715 HE1 LYS 46 21.313 -33.584 31.240 1.00 36.60 ATOM 716 HE2 LYS 46 19.947 -32.505 31.525 1.00 30.20 ATOM 717 NZ LYS 46 21.830 -31.683 31.961 1.00 13.42 ATOM 718 HZ1 LYS 46 21.791 -31.970 32.960 1.00 63.20 ATOM 719 HZ2 LYS 46 21.512 -30.694 31.887 1.00 4.20 ATOM 720 HZ3 LYS 46 22.817 -31.744 31.635 1.00 53.44 ATOM 721 C LYS 46 16.649 -32.252 30.221 1.00 1.02 ATOM 722 O LYS 46 16.220 -33.394 30.389 1.00 52.41 ATOM 723 N ASP 47 16.641 -31.328 31.176 1.00 75.41 ATOM 724 HN ASP 47 16.961 -30.423 30.959 1.00 36.60 ATOM 725 CA ASP 47 16.113 -31.609 32.506 1.00 10.22 ATOM 726 HA ASP 47 16.762 -32.334 32.975 1.00 63.20 ATOM 727 CB ASP 47 16.101 -30.335 33.352 1.00 12.33 ATOM 728 HB1 ASP 47 15.964 -30.603 34.389 1.00 36.60 ATOM 729 HB2 ASP 47 15.284 -29.697 33.038 1.00 63.21 ATOM 730 CG ASP 47 17.389 -29.546 33.229 1.00 4.51 ATOM 731 OD1 ASP 47 18.451 -30.079 33.614 1.00 43.03 ATOM 732 OD2 ASP 47 17.336 -28.395 32.747 1.00 2.13 ATOM 733 C ASP 47 14.706 -32.191 32.421 1.00 34.11 ATOM 734 O ASP 47 14.385 -33.167 33.098 1.00 74.01 ATOM 735 N GLY 48 13.869 -31.584 31.585 1.00 72.12 ATOM 736 HN GLY 48 14.165 -30.800 31.070 1.00 36.60 ATOM 737 CA GLY 48 12.505 -32.055 31.427 1.00 23.45 ATOM 738 HA1 GLY 48 12.459 -33.118 31.578 1.00 36.60 ATOM 739 HA2 GLY 48 12.196 -31.846 30.412 1.00 12.24 ATOM 740 C GLY 48 11.539 -31.360 32.366 1.00 45.41 ATOM 741 O GLY 48 10.329 -31.366 32.140 1.00 44.44 ATOM 742 N VAL 49 12.074 -30.759 33.424 1.00 2.14 ATOM 743 HN VAL 49 13.036 -30.743 33.532 1.00 36.60 ATOM 744 CA VAL 49 11.251 -30.056 34.401 1.00 2.03 ATOM 745 HA VAL 49 10.617 -30.787 34.888 1.00 1.03 ATOM 746 CB VAL 49 12.117 -29.369 35.474 1.00 41.10 ATOM 747 HB VAL 49 12.684 -28.574 35.007 1.00 54.23 ATOM 748 CG1 VAL 49 11.241 -28.755 36.555 1.00 32.54 ATOM 749 HG11 VAL 49 10.571 -29.505 36.954 1.00 44.23 ATOM 750 HG12 VAL 49 10.666 -27.940 36.144 1.00 40.14 ATOM 751 HG13 VAL 49 11.863 -28.374 37.354 1.00 3.24 ATOM 752 CG2 VAL 49 13.105 -30.358 36.074 1.00 3.40 ATOM 753 HG21 VAL 49 12.580 -31.241 36.405 1.00 60.00 ATOM 754 HG22 VAL 49 13.609 -29.905 36.919 1.00 1.00 ATOM 755 HG23 VAL 49 13.841 -30.633 35.338 1.00 41.13 ATOM 756 C VAL 49 10.371 -29.009 33.727 1.00 23.42 ATOM 757 O VAL 49 9.301 -28.665 34.229 1.00 22.44 ATOM 758 N VAL 50 10.829 -28.506 32.585 1.00 0.02 ATOM 759 HN VAL 50 11.711 -28.773 32.245 1.00 36.60 ATOM 760 CA VAL 50 10.083 -27.499 31.840 1.00 31.11 ATOM 761 HA VAL 50 9.609 -26.827 32.546 1.00 22.24 ATOM 762 CB VAL 50 11.012 -26.666 30.938 1.00 40.34 ATOM 763 HB VAL 50 11.500 -27.332 30.238 1.00 52.15 ATOM 764 CG1 VAL 50 10.211 -25.645 30.143 1.00 31.43 ATOM 765 HG11 VAL 50 10.890 -25.068 29.533 1.00 32.11 ATOM 766 HG12 VAL 50 9.684 -24.985 30.817 1.00 31.23 ATOM 767 HG13 VAL 50 9.503 -26.141 29.497 1.00 13.33 ATOM 768 CG2 VAL 50 12.088 -25.982 31.768 1.00 14.30 ATOM 769 HG21 VAL 50 11.635 -25.256 32.429 1.00 20.41 ATOM 770 HG22 VAL 50 12.785 -25.488 31.114 1.00 31.52 ATOM 771 HG23 VAL 50 12.622 -26.716 32.356 1.00 54.44 ATOM 772 C VAL 50 9.000 -28.142 30.981 1.00 41.24 ATOM 773 O VAL 50 7.923 -27.575 30.793 1.00 52.32 ATOM 774 N LEU 51 9.292 -29.329 30.461 1.00 44.34 ATOM 775 HN LEU 51 10.179 -29.725 30.620 1.00 36.60 ATOM 776 CA LEU 51 8.343 -30.051 29.620 1.00 2.43 ATOM 777 HA LEU 51 8.156 -29.447 28.749 1.00 23.45 ATOM 778 CB LEU 51 8.925 -31.403 29.206 1.00 70.24 ATOM 779 HB1 LEU 51 8.113 -32.115 29.091 1.00 36.60 ATOM 780 HB2 LEU 51 9.559 -31.757 30.001 1.00 1.41 ATOM 781 CG LEU 51 9.737 -31.416 27.910 1.00 2.22 ATOM 782 HG LEU 51 10.528 -30.683 27.982 1.00 74.33 ATOM 783 CD1 LEU 51 10.379 -32.778 27.696 1.00 53.14 ATOM 784 HD11 LEU 51 10.983 -32.758 26.799 1.00 2.20 ATOM 785 HD12 LEU 51 9.611 -33.533 27.595 1.00 73.42 ATOM 786 HD13 LEU 51 11.006 -33.016 28.543 1.00 40.43 ATOM 787 CD2 LEU 51 8.857 -31.046 26.725 1.00 31.22 ATOM 788 HD21 LEU 51 9.435 -31.102 25.812 1.00 33.32 ATOM 789 HD22 LEU 51 8.486 -30.041 26.843 1.00 55.54 ATOM 790 HD23 LEU 51 8.024 -31.732 26.661 1.00 4.04 ATOM 791 C LEU 51 7.018 -30.256 30.348 1.00 42.54 ATOM 792 O LEU 51 5.965 -29.832 29.871 1.00 52.34 ATOM 793 N CYS 52 7.079 -30.905 31.504 1.00 31.45 ATOM 794 HN CYS 52 7.954 -31.224 31.832 1.00 36.60 ATOM 795 CA CYS 52 5.884 -31.165 32.299 1.00 34.31 ATOM 796 HA CYS 52 5.258 -31.848 31.740 1.00 15.34 ATOM 797 CB CYS 52 6.264 -31.793 33.641 1.00 44.03 ATOM 798 HB1 CYS 52 5.566 -31.478 34.408 1.00 36.60 ATOM 799 HB2 CYS 52 7.257 -31.472 33.922 1.00 53.31 ATOM 800 SG CYS 52 6.261 -33.601 33.637 1.00 20.12 ATOM 801 HG CYS 52 6.757 -34.008 32.478 1.00 33.54 ATOM 802 C CYS 52 5.095 -29.881 32.530 1.00 13.35 ATOM 803 O CYS 52 3.875 -29.851 32.365 1.00 20.34 ATOM 804 N ARG 53 5.799 -28.821 32.915 1.00 32.20 ATOM 805 HN ARG 53 6.774 -28.907 33.043 1.00 36.60 ATOM 806 CA ARG 53 5.164 -27.534 33.172 1.00 32.22 ATOM 807 HA ARG 53 4.529 -27.644 34.041 1.00 13.14 ATOM 808 CB ARG 53 6.223 -26.465 33.450 1.00 74.54 ATOM 809 HB1 ARG 53 5.791 -25.482 33.304 1.00 36.60 ATOM 810 HB2 ARG 53 7.036 -26.591 32.754 1.00 73.13 ATOM 811 CG ARG 53 6.783 -26.515 34.862 1.00 71.34 ATOM 812 HG1 ARG 53 7.068 -27.532 35.096 1.00 36.60 ATOM 813 HG2 ARG 53 6.022 -26.185 35.553 1.00 24.01 ATOM 814 CD ARG 53 8.002 -25.618 35.009 1.00 14.13 ATOM 815 HD1 ARG 53 7.666 -24.591 35.020 1.00 36.60 ATOM 816 HD2 ARG 53 8.665 -25.770 34.169 1.00 53.44 ATOM 817 NE ARG 53 8.739 -25.894 36.240 1.00 54.33 ATOM 818 HE ARG 53 8.485 -26.691 36.762 1.00 12.20 ATOM 819 CZ ARG 53 9.731 -25.133 36.688 1.00 64.42 ATOM 820 NH1 ARG 53 10.104 -24.056 36.010 1.00 33.32 ATOM 821 HH11 ARG 53 9.656 -23.795 35.157 1.00 11.13 ATOM 822 HH12 ARG 53 10.853 -23.487 36.358 1.00 11.25 ATOM 823 NH2 ARG 53 10.354 -25.450 37.816 1.00 12.21 ATOM 824 HH21 ARG 53 10.078 -26.263 38.332 1.00 53.03 ATOM 825 HH22 ARG 53 11.103 -24.878 38.156 1.00 32.34 ATOM 826 C ARG 53 4.296 -27.111 31.991 1.00 15.30 ATOM 827 O ARG 53 3.161 -26.666 32.169 1.00 53.12 ATOM 828 N LEU 54 4.836 -27.251 30.786 1.00 61.42 ATOM 829 HN LEU 54 5.754 -27.606 30.705 1.00 36.60 ATOM 830 CA LEU 54 4.111 -26.883 29.574 1.00 23.15 ATOM 831 HA LEU 54 3.836 -25.844 29.642 1.00 11.33 ATOM 832 CB LEU 54 5.002 -27.074 28.346 1.00 71.44 ATOM 833 HB1 LEU 54 5.530 -28.007 28.458 1.00 36.60 ATOM 834 HB2 LEU 54 5.731 -26.275 28.335 1.00 31.12 ATOM 835 CG LEU 54 4.286 -27.094 26.994 1.00 3.25 ATOM 836 HG LEU 54 3.529 -27.863 26.992 1.00 1.23 ATOM 837 CD1 LEU 54 3.602 -25.761 26.734 1.00 42.14 ATOM 838 HD11 LEU 54 4.344 -24.988 26.773 1.00 71.53 ATOM 839 HD12 LEU 54 2.851 -25.582 27.491 1.00 23.52 ATOM 840 HD13 LEU 54 3.135 -25.768 25.759 1.00 30.41 ATOM 841 CD2 LEU 54 5.266 -27.420 25.877 1.00 71.43 ATOM 842 HD21 LEU 54 4.761 -27.401 24.932 1.00 31.01 ATOM 843 HD22 LEU 54 5.679 -28.405 26.038 1.00 62.11 ATOM 844 HD23 LEU 54 6.061 -26.700 25.871 1.00 5.10 ATOM 845 C LEU 54 2.839 -27.711 29.428 1.00 32.33 ATOM 846 O LEU 54 1.759 -27.172 29.180 1.00 24.23 ATOM 847 N LEU 55 2.972 -29.024 29.585 1.00 0.44 ATOM 848 HN LEU 55 3.864 -29.400 29.779 1.00 36.60 ATOM 849 CA LEU 55 1.832 -29.927 29.473 1.00 23.23 ATOM 850 HA LEU 55 1.396 -29.789 28.494 1.00 13.13 ATOM 851 CB LEU 55 2.292 -31.379 29.615 1.00 72.42 ATOM 852 HB1 LEU 55 2.802 -31.482 30.563 1.00 36.60 ATOM 853 HB2 LEU 55 2.996 -31.569 28.827 1.00 32.04 ATOM 854 CG LEU 55 1.194 -32.441 29.539 1.00 61.24 ATOM 855 HG LEU 55 0.519 -32.317 30.373 1.00 40.45 ATOM 856 CD1 LEU 55 0.389 -32.286 28.257 1.00 25.14 ATOM 857 HD11 LEU 55 -0.114 -31.333 28.251 1.00 60.22 ATOM 858 HD12 LEU 55 -0.345 -33.076 28.195 1.00 42.05 ATOM 859 HD13 LEU 55 1.049 -32.347 27.409 1.00 14.02 ATOM 860 CD2 LEU 55 1.795 -33.837 29.628 1.00 53.52 ATOM 861 HD21 LEU 55 1.019 -34.532 29.891 1.00 15.20 ATOM 862 HD22 LEU 55 2.562 -33.864 30.384 1.00 34.53 ATOM 863 HD23 LEU 55 2.225 -34.121 28.676 1.00 65.50 ATOM 864 C LEU 55 0.780 -29.610 30.531 1.00 54.35 ATOM 865 O LEU 55 -0.410 -29.851 30.327 1.00 2.51 ATOM 866 N GLU 56 1.226 -29.066 31.658 1.00 22.05 ATOM 867 HN GLU 56 2.190 -28.913 31.780 1.00 36.60 ATOM 868 CA GLU 56 0.322 -28.714 32.747 1.00 74.33 ATOM 869 HA GLU 56 -0.386 -29.525 32.876 1.00 65.31 ATOM 870 CB GLU 56 1.105 -28.512 34.045 1.00 32.05 ATOM 871 HB1 GLU 56 0.633 -27.728 34.628 1.00 36.60 ATOM 872 HB2 GLU 56 2.114 -28.201 33.810 1.00 22.11 ATOM 873 CG GLU 56 1.189 -29.761 34.906 1.00 22.33 ATOM 874 HG1 GLU 56 2.127 -30.252 34.700 1.00 36.60 ATOM 875 HG2 GLU 56 0.374 -30.432 34.667 1.00 14.20 ATOM 876 CD GLU 56 1.129 -29.453 36.390 1.00 50.23 ATOM 877 OE1 GLU 56 0.483 -30.224 37.130 1.00 72.14 ATOM 878 OE2 GLU 56 1.727 -28.441 36.811 1.00 42.24 ATOM 879 C GLU 56 -0.466 -27.451 32.413 1.00 41.44 ATOM 880 O GLU 56 -1.582 -27.257 32.894 1.00 55.13 ATOM 881 N ARG 57 0.125 -26.594 31.586 1.00 14.30 ATOM 882 HN ARG 57 1.025 -26.786 31.244 1.00 36.60 ATOM 883 CA ARG 57 -0.520 -25.348 31.189 1.00 41.23 ATOM 884 HA ARG 57 -0.879 -24.860 32.083 1.00 12.40 ATOM 885 CB ARG 57 0.478 -24.440 30.468 1.00 2.30 ATOM 886 HB1 ARG 57 -0.056 -23.752 29.821 1.00 36.60 ATOM 887 HB2 ARG 57 1.129 -25.041 29.860 1.00 30.33 ATOM 888 CG ARG 57 1.345 -23.619 31.409 1.00 31.33 ATOM 889 HG1 ARG 57 2.115 -23.146 30.826 1.00 36.60 ATOM 890 HG2 ARG 57 1.795 -24.271 32.144 1.00 0.51 ATOM 891 CD ARG 57 0.534 -22.549 32.123 1.00 33.31 ATOM 892 HD1 ARG 57 0.969 -22.390 33.099 1.00 36.60 ATOM 893 HD2 ARG 57 -0.487 -22.879 32.245 1.00 5.15 ATOM 894 NE ARG 57 0.545 -21.280 31.400 1.00 24.33 ATOM 895 HE ARG 57 1.215 -21.160 30.687 1.00 63.44 ATOM 896 CZ ARG 57 -0.293 -20.282 31.655 1.00 51.05 ATOM 897 NH1 ARG 57 -1.205 -20.405 32.609 1.00 10.51 ATOM 898 HH11 ARG 57 -1.283 -21.235 33.155 1.00 63.14 ATOM 899 HH12 ARG 57 -1.834 -19.646 32.790 1.00 15.24 ATOM 900 NH2 ARG 57 -0.220 -19.158 30.953 1.00 11.35 ATOM 901 HH21 ARG 57 0.467 -19.059 30.230 1.00 2.42 ATOM 902 HH22 ARG 57 -0.851 -18.403 31.143 1.00 25.24 ATOM 903 C ARG 57 -1.720 -25.620 30.286 1.00 22.22 ATOM 904 O ARG 57 -2.839 -25.195 30.578 1.00 64.15 ATOM 905 N LEU 58 -1.479 -26.331 29.190 1.00 54.53 ATOM 906 HN LEU 58 -0.572 -26.687 29.043 1.00 36.60 ATOM 907 CA LEU 58 -2.540 -26.660 28.244 1.00 41.44 ATOM 908 HA LEU 58 -3.163 -25.784 28.108 1.00 10.31 ATOM 909 CB LEU 58 -1.941 -27.046 26.890 1.00 10.01 ATOM 910 HB1 LEU 58 -2.730 -27.013 26.151 1.00 36.60 ATOM 911 HB2 LEU 58 -1.585 -28.070 26.959 1.00 74.54 ATOM 912 CG LEU 58 -0.781 -26.180 26.398 1.00 50.14 ATOM 913 HG LEU 58 -0.012 -26.136 27.151 1.00 41.34 ATOM 914 CD1 LEU 58 -0.156 -26.784 25.149 1.00 14.15 ATOM 915 HD11 LEU 58 -0.710 -26.480 24.278 1.00 44.00 ATOM 916 HD12 LEU 58 -0.150 -27.865 25.214 1.00 33.10 ATOM 917 HD13 LEU 58 0.861 -26.431 25.059 1.00 22.34 ATOM 918 CD2 LEU 58 -1.254 -24.759 26.125 1.00 31.45 ATOM 919 HD21 LEU 58 -1.942 -24.785 25.317 1.00 52.24 ATOM 920 HD22 LEU 58 -0.409 -24.140 25.859 1.00 24.45 ATOM 921 HD23 LEU 58 -1.736 -24.350 27.002 1.00 75.41 ATOM 922 C LEU 58 -3.407 -27.798 28.772 1.00 14.50 ATOM 923 O LEU 58 -4.628 -27.789 28.608 1.00 32.44 ATOM 924 N LEU 59 -2.770 -28.774 29.408 1.00 21.11 ATOM 925 HN LEU 59 -1.791 -28.749 29.497 1.00 36.60 ATOM 926 CA LEU 59 -3.483 -29.919 29.964 1.00 54.14 ATOM 927 HA LEU 59 -4.543 -29.771 29.852 1.00 51.25 ATOM 928 CB LEU 59 -3.091 -31.198 29.222 1.00 32.01 ATOM 929 HB1 LEU 59 -3.414 -32.050 29.812 1.00 36.60 ATOM 930 HB2 LEU 59 -2.018 -31.228 29.154 1.00 31.11 ATOM 931 CG LEU 59 -3.666 -31.361 27.814 1.00 3.14 ATOM 932 HG LEU 59 -3.326 -30.542 27.197 1.00 51.32 ATOM 933 CD1 LEU 59 -3.176 -32.656 27.185 1.00 51.44 ATOM 934 HD11 LEU 59 -3.462 -33.495 27.804 1.00 15.35 ATOM 935 HD12 LEU 59 -2.103 -32.627 27.091 1.00 62.32 ATOM 936 HD13 LEU 59 -3.613 -32.771 26.202 1.00 21.13 ATOM 937 CD2 LEU 59 -5.187 -31.325 27.852 1.00 65.43 ATOM 938 HD21 LEU 59 -5.555 -32.063 28.552 1.00 33.03 ATOM 939 HD22 LEU 59 -5.581 -31.541 26.867 1.00 22.54 ATOM 940 HD23 LEU 59 -5.521 -30.346 28.152 1.00 20.12 ATOM 941 C LEU 59 -3.192 -30.071 31.453 1.00 35.41 ATOM 942 O LEU 59 -2.463 -30.967 31.880 1.00 42.43 ATOM 943 N PRO 60 -3.778 -29.178 32.265 1.00 25.30 ATOM 944 CA PRO 60 -3.598 -29.195 33.720 1.00 51.52 ATOM 945 HA PRO 60 -2.550 -29.185 33.988 1.00 74.43 ATOM 946 CB PRO 60 -4.251 -27.886 34.172 1.00 31.14 ATOM 947 HB1 PRO 60 -3.506 -27.112 34.243 1.00 36.60 ATOM 948 HB2 PRO 60 -4.728 -28.009 35.137 1.00 31.25 ATOM 949 CG PRO 60 -5.249 -27.574 33.111 1.00 32.13 ATOM 950 HG1 PRO 60 -5.404 -26.507 33.055 1.00 36.60 ATOM 951 HG2 PRO 60 -6.180 -28.078 33.323 1.00 0.31 ATOM 952 CD PRO 60 -4.660 -28.084 31.825 1.00 22.45 ATOM 953 HD1 PRO 60 -4.096 -27.303 31.341 1.00 36.60 ATOM 954 HD2 PRO 60 -5.444 -28.445 31.179 1.00 21.43 ATOM 955 C PRO 60 -4.285 -30.387 34.375 1.00 33.45 ATOM 956 O PRO 60 -5.504 -30.533 34.298 1.00 34.53 ATOM 957 N GLY 61 -3.494 -31.239 35.022 1.00 53.23 ATOM 958 HN GLY 61 -2.529 -31.061 35.086 1.00 36.60 ATOM 959 CA GLY 61 -4.045 -32.408 35.682 1.00 51.02 ATOM 960 HA1 GLY 61 -5.128 -32.385 35.668 1.00 36.60 ATOM 961 HA2 GLY 61 -3.719 -32.401 36.711 1.00 22.54 ATOM 962 C GLY 61 -3.582 -33.704 35.047 1.00 22.21 ATOM 963 O GLY 61 -4.186 -34.757 35.255 1.00 65.32 ATOM 964 N THR 62 -2.507 -33.629 34.269 1.00 64.14 ATOM 965 HN THR 62 -2.052 -32.774 34.131 1.00 36.60 ATOM 966 CA THR 62 -1.964 -34.804 33.599 1.00 73.50 ATOM 967 HA THR 62 -2.705 -35.598 33.630 1.00 25.23 ATOM 968 CB THR 62 -1.637 -34.509 32.123 1.00 72.20 ATOM 969 HB THR 62 -0.644 -34.080 32.050 1.00 12.05 ATOM 970 OG1 THR 62 -2.574 -33.565 31.593 1.00 0.41 ATOM 971 HG1 THR 62 -3.477 -33.905 31.649 1.00 63.35 ATOM 972 CG2 THR 62 -1.673 -35.785 31.295 1.00 24.02 ATOM 973 HG21 THR 62 -1.441 -35.551 30.266 1.00 42.43 ATOM 974 HG22 THR 62 -2.659 -36.225 31.349 1.00 52.34 ATOM 975 HG23 THR 62 -0.944 -36.486 31.677 1.00 32.21 ATOM 976 C THR 62 -0.704 -35.302 34.297 1.00 31.51 ATOM 977 O THR 62 -0.469 -36.508 34.388 1.00 2.20 ATOM 978 N ILE 63 0.103 -34.368 34.789 1.00 35.31 ATOM 979 HN ILE 63 -0.143 -33.421 34.710 1.00 36.60 ATOM 980 CA ILE 63 1.338 -34.714 35.481 1.00 41.30 ATOM 981 HA ILE 63 1.813 -35.527 34.937 1.00 41.22 ATOM 982 CB ILE 63 2.317 -33.525 35.513 1.00 14.31 ATOM 983 HB ILE 63 1.927 -32.771 36.185 1.00 34.44 ATOM 984 CG1 ILE 63 2.456 -32.913 34.118 1.00 54.42 ATOM 985 HG11 ILE 63 3.179 -32.109 34.154 1.00 36.60 ATOM 986 HG12 ILE 63 1.509 -32.511 33.799 1.00 4.21 ATOM 987 CG2 ILE 63 3.673 -33.969 36.040 1.00 31.10 ATOM 988 HG21 ILE 63 3.590 -34.207 37.090 1.00 4.05 ATOM 989 HG22 ILE 63 4.391 -33.170 35.917 1.00 14.14 ATOM 990 HG23 ILE 63 4.016 -34.842 35.504 1.00 23.04 ATOM 991 CD1 ILE 63 2.921 -33.898 33.069 1.00 24.22 ATOM 992 HD11 ILE 63 3.438 -33.361 32.288 1.00 53.34 ATOM 993 HD12 ILE 63 2.064 -34.399 32.647 1.00 13.20 ATOM 994 HD13 ILE 63 3.582 -34.627 33.493 1.00 62.24 ATOM 995 C ILE 63 1.060 -35.167 36.910 1.00 73.30 ATOM 996 O ILE 63 0.824 -34.347 37.797 1.00 60.34 ATOM 997 N GLU 64 1.091 -36.479 37.125 1.00 14.35 ATOM 998 HN GLU 64 1.297 -37.088 36.376 1.00 36.60 ATOM 999 CA GLU 64 0.842 -37.041 38.448 1.00 44.12 ATOM 1000 HA GLU 64 -0.008 -36.530 38.884 1.00 31.33 ATOM 1001 CB GLU 64 0.512 -38.531 38.339 1.00 12.00 ATOM 1002 HB1 GLU 64 1.269 -39.011 37.735 1.00 36.60 ATOM 1003 HB2 GLU 64 -0.446 -38.631 37.845 1.00 61.32 ATOM 1004 CG GLU 64 0.452 -39.241 39.681 1.00 0.32 ATOM 1005 HG1 GLU 64 -0.006 -38.586 40.412 1.00 36.60 ATOM 1006 HG2 GLU 64 1.458 -39.476 39.994 1.00 40.31 ATOM 1007 CD GLU 64 -0.350 -40.526 39.626 1.00 33.21 ATOM 1008 OE1 GLU 64 0.248 -41.608 39.803 1.00 41.23 ATOM 1009 OE2 GLU 64 -1.577 -40.450 39.407 1.00 54.04 ATOM 1010 C GLU 64 2.050 -36.842 39.359 1.00 1.11 ATOM 1011 O GLU 64 1.907 -36.505 40.535 1.00 72.43 ATOM 1012 N LYS 65 3.241 -37.053 38.808 1.00 14.21 ATOM 1013 HN LYS 65 3.299 -37.349 37.869 1.00 36.60 ATOM 1014 CA LYS 65 4.475 -36.897 39.569 1.00 53.33 ATOM 1015 HA LYS 65 4.317 -36.132 40.322 1.00 34.42 ATOM 1016 CB LYS 65 4.833 -38.207 40.273 1.00 65.23 ATOM 1017 HB1 LYS 65 4.792 -39.012 39.553 1.00 36.60 ATOM 1018 HB2 LYS 65 4.107 -38.395 41.051 1.00 60.33 ATOM 1019 CG LYS 65 6.216 -38.201 40.901 1.00 23.41 ATOM 1020 HG1 LYS 65 6.964 -38.115 40.127 1.00 36.60 ATOM 1021 HG2 LYS 65 6.352 -39.143 41.409 1.00 41.34 ATOM 1022 CD LYS 65 6.378 -37.052 41.882 1.00 64.23 ATOM 1023 HD1 LYS 65 5.407 -36.720 42.231 1.00 36.60 ATOM 1024 HD2 LYS 65 6.877 -36.237 41.384 1.00 53.24 ATOM 1025 CE LYS 65 7.209 -37.462 43.088 1.00 13.04 ATOM 1026 HE1 LYS 65 7.415 -36.581 43.679 1.00 36.60 ATOM 1027 HE2 LYS 65 8.143 -37.890 42.750 1.00 54.43 ATOM 1028 NZ LYS 65 6.498 -38.456 43.939 1.00 32.12 ATOM 1029 HZ1 LYS 65 5.560 -38.095 44.217 1.00 63.15 ATOM 1030 HZ2 LYS 65 7.049 -38.639 44.802 1.00 15.33 ATOM 1031 HZ3 LYS 65 6.377 -39.353 43.431 1.00 24.14 ATOM 1032 C LYS 65 5.622 -36.464 38.661 1.00 21.23 ATOM 1033 O LYS 65 5.905 -37.109 37.651 1.00 14.40 ATOM 1034 N VAL 66 6.281 -35.370 39.029 1.00 42.01 ATOM 1035 HN VAL 66 6.014 -34.886 39.844 1.00 36.60 ATOM 1036 CA VAL 66 7.400 -34.853 38.249 1.00 32.24 ATOM 1037 HA VAL 66 7.607 -35.538 37.432 1.00 13.32 ATOM 1038 CB VAL 66 7.075 -33.472 37.649 1.00 70.50 ATOM 1039 HB VAL 66 6.073 -33.498 37.257 1.00 45.05 ATOM 1040 CG1 VAL 66 7.136 -32.396 38.722 1.00 53.22 ATOM 1041 HG11 VAL 66 6.769 -32.782 39.665 1.00 72.03 ATOM 1042 HG12 VAL 66 6.515 -31.566 38.419 1.00 32.05 ATOM 1043 HG13 VAL 66 8.149 -32.047 38.844 1.00 55.53 ATOM 1044 CG2 VAL 66 8.026 -33.152 36.506 1.00 41.01 ATOM 1045 HG21 VAL 66 8.134 -34.012 35.859 1.00 33.32 ATOM 1046 HG22 VAL 66 8.994 -32.869 36.892 1.00 22.12 ATOM 1047 HG23 VAL 66 7.625 -32.330 35.938 1.00 72.42 ATOM 1048 C VAL 66 8.659 -34.741 39.102 1.00 35.11 ATOM 1049 O VAL 66 8.588 -34.718 40.331 1.00 5.11 ATOM 1050 N TYR 67 9.809 -34.671 38.442 1.00 61.21 ATOM 1051 HN TYR 67 9.819 -34.740 37.463 1.00 36.60 ATOM 1052 CA TYR 67 11.085 -34.563 39.139 1.00 20.33 ATOM 1053 HA TYR 67 10.934 -34.712 40.193 1.00 5.43 ATOM 1054 CB TYR 67 12.051 -35.643 38.649 1.00 31.53 ATOM 1055 HB1 TYR 67 13.013 -35.504 39.128 1.00 36.60 ATOM 1056 HB2 TYR 67 12.176 -35.546 37.581 1.00 62.23 ATOM 1057 CG TYR 67 11.591 -37.051 38.955 1.00 54.02 ATOM 1058 CD1 TYR 67 11.785 -38.080 38.041 1.00 11.13 ATOM 1059 HD1 TYR 67 12.271 -37.864 37.111 1.00 42.43 ATOM 1060 CD2 TYR 67 10.961 -37.352 40.156 1.00 12.10 ATOM 1061 HD2 TYR 67 10.801 -36.578 40.889 1.00 51.11 ATOM 1062 CE1 TYR 67 11.366 -39.367 38.316 1.00 75.34 ATOM 1063 HE1 TYR 67 11.528 -40.155 37.604 1.00 35.01 ATOM 1064 CE2 TYR 67 10.540 -38.637 40.439 1.00 15.44 ATOM 1065 HE2 TYR 67 10.053 -38.850 41.379 1.00 3.22 ATOM 1066 CZ TYR 67 10.744 -39.641 39.516 1.00 11.31 ATOM 1067 OH TYR 67 10.324 -40.921 39.794 1.00 24.51 ATOM 1068 HH TYR 67 9.365 -40.972 39.730 1.00 31.50 ATOM 1069 C TYR 67 11.702 -33.183 38.935 1.00 22.05 ATOM 1070 O TYR 67 12.561 -32.979 38.077 1.00 23.25 ATOM 1071 N PRO 68 11.255 -32.211 39.744 1.00 53.21 ATOM 1072 CA PRO 68 11.749 -30.833 39.674 1.00 42.43 ATOM 1073 HA PRO 68 11.673 -30.436 38.674 1.00 62.14 ATOM 1074 CB PRO 68 10.803 -30.069 40.604 1.00 45.44 ATOM 1075 HB1 PRO 68 9.992 -29.655 40.024 1.00 36.60 ATOM 1076 HB2 PRO 68 11.326 -29.269 41.114 1.00 73.01 ATOM 1077 CG PRO 68 10.304 -31.094 41.562 1.00 70.22 ATOM 1078 HG1 PRO 68 9.324 -30.816 41.919 1.00 36.60 ATOM 1079 HG2 PRO 68 10.993 -31.190 42.389 1.00 35.42 ATOM 1080 CD PRO 68 10.232 -32.382 40.789 1.00 32.23 ATOM 1081 HD1 PRO 68 9.262 -32.488 40.371 1.00 36.60 ATOM 1082 HD2 PRO 68 10.463 -33.211 41.439 1.00 22.45 ATOM 1083 C PRO 68 13.189 -30.708 40.159 1.00 24.01 ATOM 1084 O PRO 68 13.881 -29.742 39.837 1.00 74.41 ATOM 1085 N GLU 69 13.635 -31.691 40.935 1.00 72.40 ATOM 1086 HN GLU 69 13.039 -32.425 41.200 1.00 36.60 ATOM 1087 CA GLU 69 14.993 -31.690 41.464 1.00 4.05 ATOM 1088 HA GLU 69 15.585 -30.951 40.939 1.00 54.32 ATOM 1089 CB GLU 69 14.986 -31.313 42.947 1.00 2.53 ATOM 1090 HB1 GLU 69 16.011 -31.224 43.285 1.00 36.60 ATOM 1091 HB2 GLU 69 14.496 -32.097 43.510 1.00 60.24 ATOM 1092 CG GLU 69 14.266 -30.007 43.239 1.00 4.35 ATOM 1093 HG1 GLU 69 13.203 -30.164 43.125 1.00 36.60 ATOM 1094 HG2 GLU 69 14.596 -29.255 42.535 1.00 23.44 ATOM 1095 CD GLU 69 14.532 -29.495 44.642 1.00 21.20 ATOM 1096 OE1 GLU 69 14.149 -28.343 44.935 1.00 24.00 ATOM 1097 OE2 GLU 69 15.123 -30.246 45.446 1.00 34.21 ATOM 1098 C GLU 69 15.651 -33.054 41.279 1.00 61.41 ATOM 1099 O GLU 69 15.856 -33.808 42.231 1.00 11.40 ATOM 1100 N PRO 70 15.990 -33.382 40.023 1.00 52.50 ATOM 1101 CA PRO 70 16.629 -34.656 39.682 1.00 40.11 ATOM 1102 HA PRO 70 16.055 -35.494 40.055 1.00 63.34 ATOM 1103 CB PRO 70 16.607 -34.665 38.151 1.00 24.13 ATOM 1104 HB1 PRO 70 15.725 -35.185 37.809 1.00 36.60 ATOM 1105 HB2 PRO 70 17.484 -35.160 37.771 1.00 35.01 ATOM 1106 CG PRO 70 16.565 -33.227 37.764 1.00 32.14 ATOM 1107 HG1 PRO 70 16.074 -33.118 36.808 1.00 36.60 ATOM 1108 HG2 PRO 70 17.568 -32.829 37.719 1.00 60.23 ATOM 1109 CD PRO 70 15.775 -32.532 38.839 1.00 23.32 ATOM 1110 HD1 PRO 70 14.737 -32.489 38.577 1.00 36.60 ATOM 1111 HD2 PRO 70 16.166 -31.539 38.996 1.00 64.33 ATOM 1112 C PRO 70 18.062 -34.741 40.195 1.00 45.01 ATOM 1113 O PRO 70 18.798 -33.754 40.175 1.00 64.21 ATOM 1114 N ARG 71 18.453 -35.926 40.653 1.00 14.24 ATOM 1115 HN ARG 71 17.813 -36.672 40.674 1.00 36.60 ATOM 1116 CA ARG 71 19.798 -36.139 41.172 1.00 3.23 ATOM 1117 HA ARG 71 20.347 -35.208 41.145 1.00 25.40 ATOM 1118 CB ARG 71 19.738 -36.635 42.618 1.00 12.53 ATOM 1119 HB1 ARG 71 20.741 -36.852 42.963 1.00 36.60 ATOM 1120 HB2 ARG 71 19.152 -37.542 42.651 1.00 35.12 ATOM 1121 CG ARG 71 19.115 -35.635 43.579 1.00 1.03 ATOM 1122 HG1 ARG 71 19.137 -36.051 44.576 1.00 36.60 ATOM 1123 HG2 ARG 71 18.092 -35.457 43.284 1.00 53.45 ATOM 1124 CD ARG 71 19.867 -34.313 43.573 1.00 71.24 ATOM 1125 HD1 ARG 71 19.510 -33.727 42.739 1.00 36.60 ATOM 1126 HD2 ARG 71 20.929 -34.490 43.447 1.00 33.21 ATOM 1127 NE ARG 71 19.647 -33.552 44.800 1.00 61.24 ATOM 1128 HE ARG 71 19.023 -32.794 44.755 1.00 2.34 ATOM 1129 CZ ARG 71 20.241 -33.833 45.954 1.00 13.54 ATOM 1130 NH1 ARG 71 21.086 -34.850 46.039 1.00 20.42 ATOM 1131 HH11 ARG 71 21.295 -35.425 45.252 1.00 30.31 ATOM 1132 HH12 ARG 71 21.530 -35.050 46.915 1.00 54.42 ATOM 1133 NH2 ARG 71 19.989 -33.093 47.027 1.00 24.54 ATOM 1134 HH21 ARG 71 19.351 -32.322 46.969 1.00 31.23 ATOM 1135 HH22 ARG 71 20.435 -33.302 47.900 1.00 64.20 ATOM 1136 C ARG 71 20.561 -37.141 40.311 1.00 33.51 ATOM 1137 O ARG 71 21.791 -37.140 40.282 1.00 63.25 ATOM 1138 N SER 72 19.821 -37.996 39.612 1.00 31.41 ATOM 1139 HN SER 72 18.846 -37.980 39.672 1.00 36.60 ATOM 1140 CA SER 72 20.427 -39.007 38.754 1.00 70.44 ATOM 1141 HA SER 72 21.505 -38.913 38.791 1.00 61.32 ATOM 1142 CB SER 72 20.050 -40.409 39.236 1.00 33.32 ATOM 1143 HB1 SER 72 20.755 -41.124 38.839 1.00 36.60 ATOM 1144 HB2 SER 72 19.052 -40.663 38.899 1.00 24.23 ATOM 1145 OG SER 72 20.075 -40.486 40.651 1.00 13.50 ATOM 1146 HG SER 72 19.259 -40.126 41.009 1.00 44.15 ATOM 1147 C SER 72 19.990 -38.822 37.304 1.00 41.43 ATOM 1148 O SER 72 19.238 -37.902 36.985 1.00 50.45 ATOM 1149 N GLU 73 20.468 -39.703 36.431 1.00 42.24 ATOM 1150 HN GLU 73 21.067 -40.423 36.744 1.00 36.60 ATOM 1151 CA GLU 73 20.128 -39.636 35.014 1.00 12.43 ATOM 1152 HA GLU 73 20.102 -38.595 34.714 1.00 0.15 ATOM 1153 CB GLU 73 21.188 -40.355 34.178 1.00 41.55 ATOM 1154 HB1 GLU 73 21.342 -41.343 34.587 1.00 36.60 ATOM 1155 HB2 GLU 73 22.112 -39.798 34.248 1.00 0.04 ATOM 1156 CG GLU 73 20.813 -40.497 32.712 1.00 43.11 ATOM 1157 HG1 GLU 73 20.500 -39.540 32.335 1.00 36.60 ATOM 1158 HG2 GLU 73 19.998 -41.201 32.624 1.00 73.22 ATOM 1159 CD GLU 73 21.962 -41.007 31.863 1.00 55.10 ATOM 1160 OE1 GLU 73 23.123 -40.670 32.173 1.00 3.43 ATOM 1161 OE2 GLU 73 21.699 -41.743 30.889 1.00 51.52 ATOM 1162 C GLU 73 18.756 -40.251 34.755 1.00 52.04 ATOM 1163 O GLU 73 18.005 -39.781 33.900 1.00 73.31 ATOM 1164 N SER 74 18.436 -41.305 35.498 1.00 23.42 ATOM 1165 HN SER 74 19.081 -41.650 36.159 1.00 36.60 ATOM 1166 CA SER 74 17.157 -41.989 35.346 1.00 1.32 ATOM 1167 HA SER 74 17.091 -42.357 34.331 1.00 2.55 ATOM 1168 CB SER 74 17.072 -43.176 36.307 1.00 13.02 ATOM 1169 HB1 SER 74 16.149 -43.713 36.137 1.00 36.60 ATOM 1170 HB2 SER 74 17.097 -42.818 37.327 1.00 14.01 ATOM 1171 OG SER 74 18.158 -44.066 36.116 1.00 11.11 ATOM 1172 HG SER 74 17.983 -44.633 35.360 1.00 32.34 ATOM 1173 C SER 74 15.996 -41.031 35.598 1.00 25.15 ATOM 1174 O SER 74 14.991 -41.059 34.890 1.00 13.31 ATOM 1175 N GLU 75 16.145 -40.185 36.613 1.00 20.54 ATOM 1176 HN GLU 75 16.972 -40.209 37.151 1.00 36.60 ATOM 1177 CA GLU 75 15.109 -39.220 36.960 1.00 11.21 ATOM 1178 HA GLU 75 14.153 -39.732 36.964 1.00 63.55 ATOM 1179 CB GLU 75 15.370 -38.635 38.350 1.00 43.34 ATOM 1180 HB1 GLU 75 14.899 -37.662 38.412 1.00 36.60 ATOM 1181 HB2 GLU 75 16.437 -38.510 38.483 1.00 12.14 ATOM 1182 CG GLU 75 14.853 -39.504 39.483 1.00 22.22 ATOM 1183 HG1 GLU 75 15.633 -40.192 39.774 1.00 36.60 ATOM 1184 HG2 GLU 75 13.989 -40.064 39.147 1.00 33.24 ATOM 1185 CD GLU 75 14.446 -38.696 40.700 1.00 43.52 ATOM 1186 OE1 GLU 75 14.597 -39.207 41.829 1.00 31.40 ATOM 1187 OE2 GLU 75 13.977 -37.552 40.523 1.00 4.10 ATOM 1188 C GLU 75 15.043 -38.098 35.928 1.00 45.22 ATOM 1189 O GLU 75 13.960 -37.645 35.555 1.00 24.13 ATOM 1190 N CYS 76 16.209 -37.654 35.471 1.00 61.02 ATOM 1191 HN CYS 76 17.047 -38.042 35.818 1.00 36.60 ATOM 1192 CA CYS 76 16.285 -36.584 34.482 1.00 4.15 ATOM 1193 HA CYS 76 15.824 -35.702 34.909 1.00 3.11 ATOM 1194 CB CYS 76 17.745 -36.284 34.137 1.00 73.24 ATOM 1195 HB1 CYS 76 17.819 -35.945 33.110 1.00 36.60 ATOM 1196 HB2 CYS 76 18.335 -37.182 34.249 1.00 61.42 ATOM 1197 SG CYS 76 18.501 -35.007 35.169 1.00 54.41 ATOM 1198 HG CYS 76 18.264 -33.832 34.605 1.00 22.30 ATOM 1199 C CYS 76 15.516 -36.955 33.219 1.00 64.13 ATOM 1200 O CYS 76 14.875 -36.107 32.598 1.00 55.31 ATOM 1201 N LEU 77 15.587 -38.227 32.842 1.00 53.00 ATOM 1202 HN LEU 77 16.120 -38.865 33.372 1.00 36.60 ATOM 1203 CA LEU 77 14.898 -38.711 31.650 1.00 22.14 ATOM 1204 HA LEU 77 15.024 -37.981 30.860 1.00 4.11 ATOM 1205 CB LEU 77 15.506 -40.037 31.189 1.00 2.14 ATOM 1206 HB1 LEU 77 14.880 -40.454 30.406 1.00 36.60 ATOM 1207 HB2 LEU 77 15.473 -40.712 32.036 1.00 32.22 ATOM 1208 CG LEU 77 16.945 -39.973 30.676 1.00 41.11 ATOM 1209 HG LEU 77 17.514 -39.284 31.286 1.00 24.22 ATOM 1210 CD1 LEU 77 17.610 -41.337 30.778 1.00 34.02 ATOM 1211 HD11 LEU 77 17.073 -42.052 30.169 1.00 24.42 ATOM 1212 HD12 LEU 77 17.603 -41.667 31.808 1.00 24.21 ATOM 1213 HD13 LEU 77 18.633 -41.269 30.434 1.00 2.44 ATOM 1214 CD2 LEU 77 16.977 -39.468 29.241 1.00 61.44 ATOM 1215 HD21 LEU 77 17.996 -39.462 28.886 1.00 53.21 ATOM 1216 HD22 LEU 77 16.578 -38.465 29.202 1.00 13.23 ATOM 1217 HD23 LEU 77 16.382 -40.117 28.612 1.00 4.12 ATOM 1218 C LEU 77 13.407 -38.888 31.917 1.00 31.03 ATOM 1219 O LEU 77 12.579 -38.690 31.028 1.00 62.42 ATOM 1220 N SER 78 13.071 -39.260 33.149 1.00 43.44 ATOM 1221 HN SER 78 13.776 -39.422 33.819 1.00 36.60 ATOM 1222 CA SER 78 11.680 -39.465 33.533 1.00 55.45 ATOM 1223 HA SER 78 11.289 -40.286 32.948 1.00 1.12 ATOM 1224 CB SER 78 11.586 -39.826 35.016 1.00 14.53 ATOM 1225 HB1 SER 78 11.484 -38.932 35.594 1.00 36.60 ATOM 1226 HB2 SER 78 12.479 -40.352 35.325 1.00 35.43 ATOM 1227 OG SER 78 10.466 -40.657 35.269 1.00 1.20 ATOM 1228 HG SER 78 10.677 -41.564 35.033 1.00 73.44 ATOM 1229 C SER 78 10.848 -38.218 33.247 1.00 10.42 ATOM 1230 O SER 78 9.719 -38.308 32.768 1.00 52.14 ATOM 1231 N ASN 79 11.416 -37.054 33.546 1.00 2.05 ATOM 1232 HN ASN 79 12.318 -37.041 33.946 1.00 36.60 ATOM 1233 CA ASN 79 10.728 -35.788 33.323 1.00 1.42 ATOM 1234 HA ASN 79 9.881 -35.747 33.994 1.00 42.15 ATOM 1235 CB ASN 79 11.668 -34.615 33.610 1.00 62.04 ATOM 1236 HB1 ASN 79 11.274 -33.742 33.139 1.00 36.60 ATOM 1237 HB2 ASN 79 12.646 -34.831 33.212 1.00 2.51 ATOM 1238 CG ASN 79 11.786 -34.317 35.092 1.00 61.21 ATOM 1239 OD1 ASN 79 10.837 -34.508 35.852 1.00 14.40 ATOM 1240 ND2 ASN 79 12.956 -33.847 35.509 1.00 13.25 ATOM 1241 HD21 ASN 79 13.679 -33.714 34.855 1.00 22.03 ATOM 1242 HD22 ASN 79 13.054 -33.651 36.463 1.00 34.41 ATOM 1243 C ASN 79 10.205 -35.697 31.893 1.00 65.34 ATOM 1244 O ASN 79 9.117 -35.175 31.651 1.00 71.23 ATOM 1245 N ILE 80 10.988 -36.210 30.949 1.00 4.32 ATOM 1246 HN ILE 80 11.854 -36.611 31.196 1.00 36.60 ATOM 1247 CA ILE 80 10.604 -36.188 29.543 1.00 32.54 ATOM 1248 HA ILE 80 10.182 -35.213 29.317 1.00 33.50 ATOM 1249 CB ILE 80 11.819 -36.410 28.624 1.00 63.31 ATOM 1250 HB ILE 80 12.237 -37.381 28.852 1.00 74.43 ATOM 1251 CG1 ILE 80 12.877 -35.332 28.871 1.00 33.30 ATOM 1252 HG11 ILE 80 12.944 -35.117 29.929 1.00 36.60 ATOM 1253 HG12 ILE 80 12.608 -34.427 28.355 1.00 41.51 ATOM 1254 CG2 ILE 80 11.387 -36.411 27.165 1.00 33.23 ATOM 1255 HG21 ILE 80 10.727 -37.238 26.974 1.00 34.23 ATOM 1256 HG22 ILE 80 12.250 -36.509 26.533 1.00 44.44 ATOM 1257 HG23 ILE 80 10.879 -35.485 26.933 1.00 4.45 ATOM 1258 CD1 ILE 80 14.264 -35.732 28.419 1.00 11.12 ATOM 1259 HD11 ILE 80 14.897 -34.858 28.391 1.00 14.20 ATOM 1260 HD12 ILE 80 14.223 -36.178 27.436 1.00 64.33 ATOM 1261 HD13 ILE 80 14.675 -36.446 29.117 1.00 53.14 ATOM 1262 C ILE 80 9.554 -37.253 29.245 1.00 55.14 ATOM 1263 O ILE 80 8.563 -36.988 28.563 1.00 11.13 ATOM 1264 N ARG 81 9.776 -38.457 29.760 1.00 23.34 ATOM 1265 HN ARG 81 10.596 -38.615 30.286 1.00 36.60 ATOM 1266 CA ARG 81 8.849 -39.562 29.549 1.00 33.14 ATOM 1267 HA ARG 81 8.860 -39.812 28.508 1.00 2.44 ATOM 1268 CB ARG 81 9.276 -40.779 30.372 1.00 22.01 ATOM 1269 HB1 ARG 81 8.400 -41.320 30.715 1.00 36.60 ATOM 1270 HB2 ARG 81 9.828 -40.443 31.240 1.00 42.13 ATOM 1271 CG ARG 81 10.158 -41.752 29.607 1.00 60.21 ATOM 1272 HG1 ARG 81 10.594 -42.446 30.304 1.00 36.60 ATOM 1273 HG2 ARG 81 10.948 -41.201 29.113 1.00 23.10 ATOM 1274 CD ARG 81 9.365 -42.516 28.558 1.00 30.21 ATOM 1275 HD1 ARG 81 9.105 -41.834 27.762 1.00 36.60 ATOM 1276 HD2 ARG 81 8.460 -42.903 28.999 1.00 72.35 ATOM 1277 NE ARG 81 10.132 -43.620 27.989 1.00 65.45 ATOM 1278 HE ARG 81 10.444 -43.521 27.063 1.00 11.32 ATOM 1279 CZ ARG 81 10.424 -44.733 28.653 1.00 13.04 ATOM 1280 NH1 ARG 81 10.013 -44.888 29.904 1.00 30.25 ATOM 1281 HH11 ARG 81 9.475 -44.196 30.373 1.00 43.33 ATOM 1282 HH12 ARG 81 10.249 -45.728 30.397 1.00 74.55 ATOM 1283 NH2 ARG 81 11.127 -45.693 28.067 1.00 74.34 ATOM 1284 HH21 ARG 81 11.440 -45.582 27.122 1.00 53.14 ATOM 1285 HH22 ARG 81 11.348 -46.533 28.567 1.00 43.12 ATOM 1286 C ARG 81 7.426 -39.156 29.923 1.00 30.51 ATOM 1287 O ARG 81 6.478 -39.440 29.192 1.00 32.31 ATOM 1288 N GLU 82 7.286 -38.492 31.066 1.00 44.21 ATOM 1289 HN GLU 82 8.083 -38.307 31.617 1.00 36.60 ATOM 1290 CA GLU 82 5.979 -38.049 31.536 1.00 2.14 ATOM 1291 HA GLU 82 5.401 -38.934 31.770 1.00 63.41 ATOM 1292 CB GLU 82 6.130 -37.186 32.791 1.00 55.11 ATOM 1293 HB1 GLU 82 5.980 -36.154 32.537 1.00 36.60 ATOM 1294 HB2 GLU 82 7.127 -37.299 33.193 1.00 43.30 ATOM 1295 CG GLU 82 5.150 -37.543 33.896 1.00 10.23 ATOM 1296 HG1 GLU 82 5.289 -36.856 34.718 1.00 36.60 ATOM 1297 HG2 GLU 82 5.355 -38.549 34.230 1.00 34.43 ATOM 1298 CD GLU 82 3.705 -37.470 33.441 1.00 23.33 ATOM 1299 OE1 GLU 82 3.419 -36.704 32.497 1.00 30.34 ATOM 1300 OE2 GLU 82 2.861 -38.179 34.029 1.00 44.22 ATOM 1301 C GLU 82 5.247 -37.265 30.451 1.00 3.20 ATOM 1302 O GLU 82 4.128 -37.607 30.070 1.00 72.40 ATOM 1303 N PHE 83 5.888 -36.210 29.958 1.00 73.14 ATOM 1304 HN PHE 83 6.783 -35.983 30.308 1.00 36.60 ATOM 1305 CA PHE 83 5.298 -35.376 28.917 1.00 10.53 ATOM 1306 HA PHE 83 4.441 -34.873 29.340 1.00 15.42 ATOM 1307 CB PHE 83 6.306 -34.326 28.444 1.00 55.22 ATOM 1308 HB1 PHE 83 7.236 -34.822 28.197 1.00 36.60 ATOM 1309 HB2 PHE 83 6.489 -33.629 29.253 1.00 55.12 ATOM 1310 CG PHE 83 5.845 -33.552 27.242 1.00 54.20 ATOM 1311 CD1 PHE 83 6.111 -34.011 25.962 1.00 3.50 ATOM 1312 HD1 PHE 83 6.657 -34.935 25.828 1.00 61.24 ATOM 1313 CD2 PHE 83 5.144 -32.366 27.392 1.00 3.21 ATOM 1314 HD2 PHE 83 4.938 -31.994 28.383 1.00 14.52 ATOM 1315 CE1 PHE 83 5.689 -33.300 24.855 1.00 40.34 ATOM 1316 HE1 PHE 83 5.902 -33.670 23.866 1.00 33.13 ATOM 1317 CE2 PHE 83 4.719 -31.651 26.288 1.00 10.33 ATOM 1318 HE2 PHE 83 4.181 -30.731 26.429 1.00 64.12 ATOM 1319 CZ PHE 83 4.991 -32.119 25.018 1.00 70.12 ATOM 1320 HZ PHE 83 4.671 -31.572 24.151 1.00 3.21 ATOM 1321 C PHE 83 4.837 -36.224 27.736 1.00 41.24 ATOM 1322 O PHE 83 3.739 -36.034 27.211 1.00 41.43 ATOM 1323 N LEU 84 5.684 -37.160 27.322 1.00 73.05 ATOM 1324 HN LEU 84 6.535 -37.282 27.802 1.00 36.60 ATOM 1325 CA LEU 84 5.365 -38.038 26.201 1.00 31.42 ATOM 1326 HA LEU 84 5.105 -37.421 25.350 1.00 33.43 ATOM 1327 CB LEU 84 6.580 -38.892 25.835 1.00 43.11 ATOM 1328 HB1 LEU 84 6.347 -39.448 24.935 1.00 36.60 ATOM 1329 HB2 LEU 84 6.730 -39.607 26.639 1.00 44.33 ATOM 1330 CG LEU 84 7.892 -38.135 25.620 1.00 75.23 ATOM 1331 HG LEU 84 7.993 -37.356 26.350 1.00 74.12 ATOM 1332 CD1 LEU 84 9.080 -39.070 25.782 1.00 61.14 ATOM 1333 HD11 LEU 84 9.226 -39.277 26.820 1.00 40.53 ATOM 1334 HD12 LEU 84 9.976 -38.606 25.390 1.00 21.23 ATOM 1335 HD13 LEU 84 8.899 -39.998 25.257 1.00 41.10 ATOM 1336 CD2 LEU 84 7.910 -37.479 24.247 1.00 73.32 ATOM 1337 HD21 LEU 84 7.437 -38.127 23.530 1.00 3.24 ATOM 1338 HD22 LEU 84 8.930 -37.304 23.950 1.00 35.24 ATOM 1339 HD23 LEU 84 7.380 -36.539 24.289 1.00 72.21 ATOM 1340 C LEU 84 4.179 -38.938 26.535 1.00 64.20 ATOM 1341 O LEU 84 3.464 -39.395 25.643 1.00 13.14 ATOM 1342 N ARG 85 3.977 -39.187 27.825 1.00 74.04 ATOM 1343 HN ARG 85 4.598 -38.838 28.491 1.00 36.60 ATOM 1344 CA ARG 85 2.877 -40.031 28.276 1.00 21.22 ATOM 1345 HA ARG 85 2.815 -40.882 27.610 1.00 13.52 ATOM 1346 CB ARG 85 3.133 -40.518 29.704 1.00 71.23 ATOM 1347 HB1 ARG 85 2.708 -39.816 30.411 1.00 36.60 ATOM 1348 HB2 ARG 85 4.202 -40.563 29.876 1.00 21.12 ATOM 1349 CG ARG 85 2.546 -41.890 29.994 1.00 53.13 ATOM 1350 HG1 ARG 85 1.525 -41.926 29.639 1.00 36.60 ATOM 1351 HG2 ARG 85 2.561 -42.055 31.061 1.00 42.33 ATOM 1352 CD ARG 85 3.346 -42.993 29.318 1.00 52.51 ATOM 1353 HD1 ARG 85 3.487 -42.753 28.274 1.00 36.60 ATOM 1354 HD2 ARG 85 2.786 -43.914 29.396 1.00 52.31 ATOM 1355 NE ARG 85 4.651 -43.184 29.944 1.00 21.12 ATOM 1356 HE ARG 85 4.898 -42.588 30.690 1.00 14.22 ATOM 1357 CZ ARG 85 5.520 -44.114 29.563 1.00 34.12 ATOM 1358 NH1 ARG 85 5.223 -44.933 28.563 1.00 3.23 ATOM 1359 HH11 ARG 85 4.350 -44.869 28.081 1.00 3.12 ATOM 1360 HH12 ARG 85 5.884 -45.632 28.281 1.00 54.55 ATOM 1361 NH2 ARG 85 6.688 -44.226 30.182 1.00 32.35 ATOM 1362 HH21 ARG 85 6.918 -43.610 30.938 1.00 52.35 ATOM 1363 HH22 ARG 85 7.345 -44.927 29.896 1.00 34.42 ATOM 1364 C ARG 85 1.552 -39.277 28.214 1.00 31.34 ATOM 1365 O ARG 85 0.506 -39.861 27.934 1.00 62.33 ATOM 1366 N GLY 86 1.605 -37.975 28.479 1.00 35.34 ATOM 1367 HN GLY 86 2.457 -37.548 28.717 1.00 36.60 ATOM 1368 CA GLY 86 0.402 -37.163 28.449 1.00 23.03 ATOM 1369 HA1 GLY 86 0.583 -36.265 29.007 1.00 36.60 ATOM 1370 HA2 GLY 86 -0.414 -37.700 28.918 1.00 72.54 ATOM 1371 C GLY 86 -0.006 -36.784 27.040 1.00 72.14 ATOM 1372 O GLY 86 -1.098 -37.132 26.588 1.00 40.21 ATOM 1373 N CYS 87 0.870 -36.069 26.344 1.00 42.43 ATOM 1374 HN CYS 87 1.729 -35.820 26.763 1.00 36.60 ATOM 1375 CA CYS 87 0.594 -35.640 24.977 1.00 13.42 ATOM 1376 HA CYS 87 -0.270 -34.989 25.001 1.00 13.24 ATOM 1377 CB CYS 87 1.793 -34.882 24.406 1.00 0.30 ATOM 1378 HB1 CYS 87 1.844 -35.024 23.333 1.00 36.60 ATOM 1379 HB2 CYS 87 2.703 -35.261 24.849 1.00 62.14 ATOM 1380 SG CYS 87 1.749 -33.099 24.703 1.00 1.32 ATOM 1381 HG CYS 87 0.564 -32.799 25.214 1.00 75.44 ATOM 1382 C CYS 87 0.262 -36.834 24.089 1.00 33.20 ATOM 1383 O CYS 87 -0.490 -36.712 23.123 1.00 61.43 ATOM 1384 N GLY 88 0.829 -37.989 24.423 1.00 61.41 ATOM 1385 HN GLY 88 1.457 -38.042 25.174 1.00 36.60 ATOM 1386 CA GLY 88 0.583 -39.189 23.645 1.00 73.24 ATOM 1387 HA1 GLY 88 1.435 -39.845 23.750 1.00 36.60 ATOM 1388 HA2 GLY 88 0.473 -38.935 22.597 1.00 50.23 ATOM 1389 C GLY 88 -0.655 -39.934 24.103 1.00 13.14 ATOM 1390 O GLY 88 -1.122 -40.851 23.429 1.00 62.15 ATOM 1391 N ALA 89 -1.188 -39.540 25.256 1.00 62.04 ATOM 1392 HN ALA 89 -0.785 -38.813 25.756 1.00 36.60 ATOM 1393 CA ALA 89 -2.379 -40.176 25.804 1.00 71.43 ATOM 1394 HA ALA 89 -2.423 -41.203 25.457 1.00 1.54 ATOM 1395 CB ALA 89 -2.307 -40.212 27.323 1.00 11.41 ATOM 1396 HB1 ALA 89 -1.588 -40.956 27.626 1.00 11.30 ATOM 1397 HB2 ALA 89 -3.275 -40.469 27.736 1.00 5.15 ATOM 1398 HB3 ALA 89 -2.002 -39.245 27.695 1.00 62.45 ATOM 1399 C ALA 89 -3.644 -39.457 25.349 1.00 74.13 ATOM 1400 O ALA 89 -4.447 -40.009 24.596 1.00 31.02 ATOM 1401 N SER 90 -3.816 -38.223 25.811 1.00 54.33 ATOM 1402 HN SER 90 -3.127 -37.821 26.393 1.00 36.60 ATOM 1403 CA SER 90 -4.987 -37.429 25.454 1.00 20.45 ATOM 1404 HA SER 90 -5.869 -38.044 25.582 1.00 33.52 ATOM 1405 CB SER 90 -5.104 -36.212 26.374 1.00 23.42 ATOM 1406 HB1 SER 90 -4.127 -35.770 26.515 1.00 36.60 ATOM 1407 HB2 SER 90 -5.499 -36.522 27.330 1.00 30.10 ATOM 1408 OG SER 90 -5.968 -35.236 25.820 1.00 10.43 ATOM 1409 HG SER 90 -6.176 -34.577 26.486 1.00 11.32 ATOM 1410 C SER 90 -4.914 -36.976 23.999 1.00 20.45 ATOM 1411 O SER 90 -5.740 -37.366 23.173 1.00 14.03 ATOM 1412 N LEU 91 -3.919 -36.151 23.693 1.00 53.11 ATOM 1413 HN LEU 91 -3.279 -35.884 24.396 1.00 36.60 ATOM 1414 CA LEU 91 -3.737 -35.643 22.337 1.00 25.44 ATOM 1415 HA LEU 91 -4.660 -35.166 22.028 1.00 11.05 ATOM 1416 CB LEU 91 -2.604 -34.615 22.305 1.00 34.21 ATOM 1417 HB1 LEU 91 -2.114 -34.676 21.345 1.00 36.60 ATOM 1418 HB2 LEU 91 -1.885 -34.892 23.060 1.00 4.23 ATOM 1419 CG LEU 91 -3.011 -33.161 22.545 1.00 13.01 ATOM 1420 HG LEU 91 -3.776 -33.123 23.309 1.00 22.32 ATOM 1421 CD1 LEU 91 -1.824 -32.349 23.040 1.00 34.33 ATOM 1422 HD11 LEU 91 -1.169 -32.103 22.222 1.00 64.52 ATOM 1423 HD12 LEU 91 -1.273 -32.907 23.786 1.00 41.43 ATOM 1424 HD13 LEU 91 -2.188 -31.434 23.485 1.00 63.41 ATOM 1425 CD2 LEU 91 -3.584 -32.551 21.274 1.00 11.21 ATOM 1426 HD21 LEU 91 -3.714 -31.483 21.396 1.00 20.33 ATOM 1427 HD22 LEU 91 -4.541 -33.004 21.063 1.00 32.00 ATOM 1428 HD23 LEU 91 -2.912 -32.743 20.454 1.00 4.25 ATOM 1429 C LEU 91 -3.434 -36.780 21.366 1.00 32.34 ATOM 1430 O LEU 91 -3.877 -36.763 20.218 1.00 41.12 ATOM 1431 N ARG 92 -2.679 -37.768 21.836 1.00 34.04 ATOM 1432 HN ARG 92 -2.332 -37.734 22.755 1.00 36.60 ATOM 1433 CA ARG 92 -2.319 -38.914 21.010 1.00 10.31 ATOM 1434 HA ARG 92 -1.705 -39.562 21.603 1.00 71.54 ATOM 1435 CB ARG 92 -3.576 -39.662 20.563 1.00 62.43 ATOM 1436 HB1 ARG 92 -3.946 -39.239 19.637 1.00 36.60 ATOM 1437 HB2 ARG 92 -4.337 -39.533 21.325 1.00 24.33 ATOM 1438 CG ARG 92 -3.355 -41.151 20.351 1.00 62.15 ATOM 1439 HG1 ARG 92 -2.604 -41.507 21.042 1.00 36.60 ATOM 1440 HG2 ARG 92 -3.014 -41.309 19.338 1.00 64.35 ATOM 1441 CD ARG 92 -4.636 -41.941 20.568 1.00 70.04 ATOM 1442 HD1 ARG 92 -5.467 -41.391 20.143 1.00 36.60 ATOM 1443 HD2 ARG 92 -4.803 -42.060 21.629 1.00 45.54 ATOM 1444 NE ARG 92 -4.585 -43.253 19.928 1.00 54.35 ATOM 1445 HE ARG 92 -5.095 -43.369 19.096 1.00 21.04 ATOM 1446 CZ ARG 92 -3.893 -44.279 20.409 1.00 43.04 ATOM 1447 NH1 ARG 92 -3.196 -44.146 21.529 1.00 72.00 ATOM 1448 HH11 ARG 92 -3.173 -43.291 22.036 1.00 43.54 ATOM 1449 HH12 ARG 92 -2.675 -44.927 21.879 1.00 54.32 ATOM 1450 NH2 ARG 92 -3.896 -45.442 19.769 1.00 51.51 ATOM 1451 HH21 ARG 92 -4.420 -45.549 18.922 1.00 11.42 ATOM 1452 HH22 ARG 92 -3.374 -46.218 20.130 1.00 75.04 ATOM 1453 C ARG 92 -1.515 -38.473 19.790 1.00 13.12 ATOM 1454 O ARG 92 -1.524 -39.138 18.754 1.00 72.43 ATOM 1455 N LEU 93 -0.822 -37.347 19.920 1.00 21.34 ATOM 1456 HN LEU 93 -0.815 -36.878 20.781 1.00 36.60 ATOM 1457 CA LEU 93 -0.013 -36.817 18.829 1.00 43.52 ATOM 1458 HA LEU 93 -0.565 -36.933 17.904 1.00 65.35 ATOM 1459 CB LEU 93 0.262 -35.328 19.048 1.00 14.32 ATOM 1460 HB1 LEU 93 -0.705 -34.844 19.082 1.00 36.60 ATOM 1461 HB2 LEU 93 0.781 -34.941 18.181 1.00 1.12 ATOM 1462 CG LEU 93 1.034 -34.968 20.318 1.00 44.45 ATOM 1463 HG LEU 93 0.953 -35.770 21.039 1.00 22.54 ATOM 1464 CD1 LEU 93 2.511 -34.778 20.008 1.00 62.43 ATOM 1465 HD11 LEU 93 3.083 -35.467 20.611 1.00 3.12 ATOM 1466 HD12 LEU 93 2.827 -33.769 20.242 1.00 71.54 ATOM 1467 HD13 LEU 93 2.718 -34.971 18.966 1.00 31.21 ATOM 1468 CD2 LEU 93 0.457 -33.713 20.956 1.00 55.11 ATOM 1469 HD21 LEU 93 0.675 -33.718 22.011 1.00 65.43 ATOM 1470 HD22 LEU 93 -0.604 -33.670 20.814 1.00 30.34 ATOM 1471 HD23 LEU 93 0.897 -32.830 20.510 1.00 31.32 ATOM 1472 C LEU 93 1.305 -37.576 18.709 1.00 52.34 ATOM 1473 O LEU 93 1.563 -38.513 19.463 1.00 14.21 ATOM 1474 N GLU 94 2.135 -37.163 17.756 1.00 3.53 ATOM 1475 HN GLU 94 1.878 -36.398 17.196 1.00 36.60 ATOM 1476 CA GLU 94 3.427 -37.804 17.539 1.00 11.41 ATOM 1477 HA GLU 94 3.257 -38.870 17.438 1.00 61.34 ATOM 1478 CB GLU 94 4.064 -37.293 16.245 1.00 55.21 ATOM 1479 HB1 GLU 94 4.879 -37.955 15.988 1.00 36.60 ATOM 1480 HB2 GLU 94 4.458 -36.296 16.409 1.00 41.14 ATOM 1481 CG GLU 94 3.095 -37.222 15.077 1.00 73.35 ATOM 1482 HG1 GLU 94 2.530 -36.304 15.150 1.00 36.60 ATOM 1483 HG2 GLU 94 2.418 -38.065 15.119 1.00 40.31 ATOM 1484 CD GLU 94 3.798 -37.247 13.733 1.00 32.23 ATOM 1485 OE1 GLU 94 4.753 -38.036 13.578 1.00 44.33 ATOM 1486 OE2 GLU 94 3.392 -36.478 12.837 1.00 15.44 ATOM 1487 C GLU 94 4.365 -37.549 18.715 1.00 21.03 ATOM 1488 O GLU 94 4.698 -36.404 19.023 1.00 13.04 ATOM 1489 N THR 95 4.789 -38.625 19.370 1.00 30.55 ATOM 1490 HN THR 95 4.503 -39.521 19.077 1.00 36.60 ATOM 1491 CA THR 95 5.687 -38.520 20.514 1.00 71.35 ATOM 1492 HA THR 95 5.700 -37.493 20.868 1.00 43.12 ATOM 1493 CB THR 95 5.218 -39.411 21.680 1.00 43.51 ATOM 1494 HB THR 95 5.920 -39.317 22.499 1.00 14.32 ATOM 1495 OG1 THR 95 5.169 -40.779 21.262 1.00 24.45 ATOM 1496 HG1 THR 95 5.262 -41.354 22.026 1.00 44.34 ATOM 1497 CG2 THR 95 3.847 -38.977 22.175 1.00 52.43 ATOM 1498 HG21 THR 95 3.893 -37.954 22.519 1.00 22.43 ATOM 1499 HG22 THR 95 3.542 -39.616 22.991 1.00 31.14 ATOM 1500 HG23 THR 95 3.129 -39.055 21.371 1.00 52.20 ATOM 1501 C THR 95 7.110 -38.910 20.132 1.00 5.21 ATOM 1502 O THR 95 7.334 -39.568 19.116 1.00 75.12 ATOM 1503 N PHE 96 8.071 -38.500 20.953 1.00 4.24 ATOM 1504 HN PHE 96 7.835 -37.988 21.731 1.00 36.60 ATOM 1505 CA PHE 96 9.475 -38.806 20.701 1.00 33.14 ATOM 1506 HA PHE 96 9.552 -39.477 19.854 1.00 33.21 ATOM 1507 CB PHE 96 10.247 -37.526 20.374 1.00 21.52 ATOM 1508 HB1 PHE 96 9.792 -37.048 19.516 1.00 36.60 ATOM 1509 HB2 PHE 96 11.265 -37.793 20.129 1.00 4.42 ATOM 1510 CG PHE 96 10.277 -36.538 21.505 1.00 30.51 ATOM 1511 CD1 PHE 96 9.151 -35.796 21.824 1.00 23.41 ATOM 1512 HD1 PHE 96 8.243 -35.933 21.256 1.00 24.34 ATOM 1513 CD2 PHE 96 11.431 -36.351 22.249 1.00 60.52 ATOM 1514 HD2 PHE 96 12.310 -36.914 22.008 1.00 50.00 ATOM 1515 CE1 PHE 96 9.175 -34.887 22.864 1.00 2.44 ATOM 1516 HE1 PHE 96 8.291 -34.315 23.102 1.00 73.31 ATOM 1517 CE2 PHE 96 11.461 -35.444 23.290 1.00 12.54 ATOM 1518 HE2 PHE 96 12.359 -35.309 23.864 1.00 15.51 ATOM 1519 CZ PHE 96 10.332 -34.709 23.598 1.00 70.32 ATOM 1520 HZ PHE 96 10.353 -33.999 24.411 1.00 13.33 ATOM 1521 C PHE 96 10.105 -39.500 21.906 1.00 54.04 ATOM 1522 O PHE 96 9.480 -39.627 22.959 1.00 23.11 ATOM 1523 N ASP 97 11.345 -39.947 21.741 1.00 34.21 ATOM 1524 HN ASP 97 11.801 -39.804 20.877 1.00 36.60 ATOM 1525 CA ASP 97 12.060 -40.628 22.814 1.00 65.02 ATOM 1526 HA ASP 97 11.333 -41.129 23.449 1.00 54.43 ATOM 1527 CB ASP 97 13.017 -41.672 22.235 1.00 2.42 ATOM 1528 HB1 ASP 97 13.904 -41.748 22.853 1.00 36.60 ATOM 1529 HB2 ASP 97 13.310 -41.386 21.238 1.00 75.32 ATOM 1530 CG ASP 97 12.391 -43.050 22.157 1.00 65.25 ATOM 1531 OD1 ASP 97 12.188 -43.546 21.029 1.00 43.44 ATOM 1532 OD2 ASP 97 12.104 -43.634 23.223 1.00 50.50 ATOM 1533 C ASP 97 12.834 -39.630 23.670 1.00 51.01 ATOM 1534 O ASP 97 13.331 -38.622 23.169 1.00 51.21 ATOM 1535 N ALA 98 12.930 -39.918 24.964 1.00 42.32 ATOM 1536 HN ALA 98 12.516 -40.747 25.306 1.00 36.60 ATOM 1537 CA ALA 98 13.644 -39.046 25.889 1.00 34.21 ATOM 1538 HA ALA 98 13.325 -38.031 25.715 1.00 0.40 ATOM 1539 CB ALA 98 13.299 -39.408 27.326 1.00 4.24 ATOM 1540 HB1 ALA 98 13.791 -38.723 28.003 1.00 40.12 ATOM 1541 HB2 ALA 98 13.624 -40.418 27.535 1.00 42.23 ATOM 1542 HB3 ALA 98 12.230 -39.341 27.464 1.00 14.52 ATOM 1543 C ALA 98 15.150 -39.126 25.668 1.00 62.23 ATOM 1544 O ALA 98 15.884 -38.191 25.984 1.00 51.31 ATOM 1545 N ASN 99 15.605 -40.250 25.123 1.00 32.12 ATOM 1546 HN ASN 99 14.972 -40.963 24.882 1.00 36.60 ATOM 1547 CA ASN 99 17.025 -40.452 24.861 1.00 61.41 ATOM 1548 HA ASN 99 17.563 -40.314 25.788 1.00 45.44 ATOM 1549 CB ASN 99 17.273 -41.873 24.350 1.00 24.11 ATOM 1550 HB1 ASN 99 18.338 -42.043 24.275 1.00 36.60 ATOM 1551 HB2 ASN 99 16.824 -41.988 23.373 1.00 15.54 ATOM 1552 CG ASN 99 16.685 -42.928 25.267 1.00 74.15 ATOM 1553 OD1 ASN 99 15.917 -43.787 24.831 1.00 42.52 ATOM 1554 ND2 ASN 99 17.042 -42.868 26.544 1.00 21.21 ATOM 1555 HD21 ASN 99 17.661 -42.167 26.843 1.00 2.31 ATOM 1556 HD22 ASN 99 16.666 -43.540 27.150 1.00 33.55 ATOM 1557 C ASN 99 17.541 -39.437 23.845 1.00 34.41 ATOM 1558 O ASN 99 18.502 -38.715 24.108 1.00 50.44 ATOM 1559 N ASP 100 16.894 -39.389 22.685 1.00 25.04 ATOM 1560 HN ASP 100 16.141 -40.009 22.531 1.00 36.60 ATOM 1561 CA ASP 100 17.286 -38.462 21.630 1.00 11.32 ATOM 1562 HA ASP 100 18.276 -38.738 21.294 1.00 33.52 ATOM 1563 CB ASP 100 16.318 -38.560 20.450 1.00 15.04 ATOM 1564 HB1 ASP 100 16.388 -39.547 20.016 1.00 36.60 ATOM 1565 HB2 ASP 100 16.583 -37.830 19.713 1.00 75.43 ATOM 1566 CG ASP 100 14.879 -38.314 20.860 1.00 33.53 ATOM 1567 OD1 ASP 100 14.063 -39.254 20.755 1.00 32.30 ATOM 1568 OD2 ASP 100 14.569 -37.183 21.287 1.00 12.22 ATOM 1569 C ASP 100 17.326 -37.029 22.153 1.00 23.11 ATOM 1570 O ASP 100 18.070 -36.191 21.642 1.00 23.00 ATOM 1571 N LEU 101 16.521 -36.754 23.173 1.00 22.55 ATOM 1572 HN LEU 101 15.909 -37.441 23.519 1.00 36.60 ATOM 1573 CA LEU 101 16.464 -35.422 23.766 1.00 73.54 ATOM 1574 HA LEU 101 16.557 -34.692 22.972 1.00 0.01 ATOM 1575 CB LEU 101 15.121 -35.212 24.467 1.00 33.21 ATOM 1576 HB1 LEU 101 14.923 -36.078 25.084 1.00 36.60 ATOM 1577 HB2 LEU 101 14.366 -35.160 23.700 1.00 33.14 ATOM 1578 CG LEU 101 15.009 -33.963 25.342 1.00 73.11 ATOM 1579 HG LEU 101 15.700 -34.038 26.169 1.00 34.31 ATOM 1580 CD1 LEU 101 15.366 -32.719 24.544 1.00 51.21 ATOM 1581 HD11 LEU 101 16.272 -32.864 23.980 1.00 4.21 ATOM 1582 HD12 LEU 101 15.527 -31.915 25.228 1.00 72.33 ATOM 1583 HD13 LEU 101 14.564 -32.469 23.877 1.00 64.51 ATOM 1584 CD2 LEU 101 13.607 -33.843 25.922 1.00 3.55 ATOM 1585 HD21 LEU 101 13.636 -33.237 26.808 1.00 23.53 ATOM 1586 HD22 LEU 101 13.228 -34.807 26.164 1.00 44.55 ATOM 1587 HD23 LEU 101 12.945 -33.382 25.200 1.00 35.05 ATOM 1588 C LEU 101 17.605 -35.217 24.756 1.00 24.22 ATOM 1589 O LEU 101 18.193 -34.137 24.827 1.00 34.31 ATOM 1590 N TYR 102 17.916 -36.261 25.517 1.00 11.43 ATOM 1591 HN TYR 102 17.410 -37.102 25.422 1.00 36.60 ATOM 1592 CA TYR 102 18.987 -36.195 26.504 1.00 4.10 ATOM 1593 HA TYR 102 18.872 -35.268 27.053 1.00 24.20 ATOM 1594 CB TYR 102 18.891 -37.376 27.472 1.00 42.34 ATOM 1595 HB1 TYR 102 19.329 -38.262 27.025 1.00 36.60 ATOM 1596 HB2 TYR 102 17.848 -37.564 27.663 1.00 64.52 ATOM 1597 CG TYR 102 19.553 -37.120 28.807 1.00 52.02 ATOM 1598 CD1 TYR 102 19.188 -36.030 29.587 1.00 0.24 ATOM 1599 HD1 TYR 102 18.416 -35.363 29.231 1.00 61.23 ATOM 1600 CD2 TYR 102 20.543 -37.967 29.287 1.00 23.45 ATOM 1601 HD2 TYR 102 20.842 -38.821 28.694 1.00 14.53 ATOM 1602 CE1 TYR 102 19.790 -35.792 30.808 1.00 42.53 ATOM 1603 HE1 TYR 102 19.492 -34.939 31.400 1.00 1.14 ATOM 1604 CE2 TYR 102 21.150 -37.738 30.507 1.00 12.22 ATOM 1605 HE2 TYR 102 21.918 -38.409 30.863 1.00 4.50 ATOM 1606 CZ TYR 102 20.770 -36.649 31.263 1.00 1.44 ATOM 1607 OH TYR 102 21.373 -36.416 32.478 1.00 11.33 ATOM 1608 HH TYR 102 22.268 -36.089 32.342 1.00 1.25 ATOM 1609 C TYR 102 20.354 -36.189 25.825 1.00 34.21 ATOM 1610 O TYR 102 21.149 -35.270 26.016 1.00 40.21 ATOM 1611 N GLN 103 20.617 -37.222 25.032 1.00 61.53 ATOM 1612 HN GLN 103 19.935 -37.924 24.912 1.00 36.60 ATOM 1613 CA GLN 103 21.887 -37.337 24.324 1.00 73.31 ATOM 1614 HA GLN 103 22.687 -37.081 25.010 1.00 44.43 ATOM 1615 CB GLN 103 22.097 -38.773 23.840 1.00 22.14 ATOM 1616 HB1 GLN 103 22.989 -38.821 23.227 1.00 36.60 ATOM 1617 HB2 GLN 103 21.246 -39.055 23.236 1.00 15.21 ATOM 1618 CG GLN 103 22.220 -39.784 24.970 1.00 54.45 ATOM 1619 HG1 GLN 103 21.905 -40.748 24.596 1.00 36.60 ATOM 1620 HG2 GLN 103 21.570 -39.495 25.786 1.00 21.42 ATOM 1621 CD GLN 103 23.640 -39.916 25.483 1.00 52.21 ATOM 1622 OE1 GLN 103 24.591 -39.971 24.703 1.00 24.34 ATOM 1623 NE2 GLN 103 23.791 -39.967 26.801 1.00 13.12 ATOM 1624 HE21 GLN 103 22.996 -39.919 27.379 1.00 71.42 ATOM 1625 HE22 GLN 103 24.702 -40.052 27.151 1.00 24.14 ATOM 1626 C GLN 103 21.939 -36.377 23.140 1.00 10.24 ATOM 1627 O GLN 103 23.013 -36.068 22.626 1.00 52.22 ATOM 1628 N GLY 104 20.770 -35.908 22.713 1.00 45.30 ATOM 1629 HN GLY 104 19.930 -36.196 23.126 1.00 36.60 ATOM 1630 CA GLY 104 20.706 -34.987 21.593 1.00 74.53 ATOM 1631 HA1 GLY 104 21.443 -34.205 21.729 1.00 36.60 ATOM 1632 HA2 GLY 104 19.730 -34.530 21.567 1.00 53.35 ATOM 1633 C GLY 104 20.966 -35.671 20.265 1.00 30.11 ATOM 1634 O GLY 104 21.371 -35.027 19.298 1.00 54.03 ATOM 1635 N GLN 105 20.735 -36.979 20.219 1.00 31.14 ATOM 1636 HN GLN 105 20.370 -37.437 21.010 1.00 36.60 ATOM 1637 CA GLN 105 20.950 -37.750 19.001 1.00 72.24 ATOM 1638 HA GLN 105 21.965 -37.578 18.666 1.00 41.04 ATOM 1639 CB GLN 105 20.772 -39.244 19.279 1.00 50.21 ATOM 1640 HB1 GLN 105 20.966 -39.801 18.370 1.00 36.60 ATOM 1641 HB2 GLN 105 19.747 -39.420 19.582 1.00 42.23 ATOM 1642 CG GLN 105 21.677 -39.769 20.382 1.00 60.24 ATOM 1643 HG1 GLN 105 21.185 -40.608 20.853 1.00 36.60 ATOM 1644 HG2 GLN 105 21.842 -39.001 21.121 1.00 22.41 ATOM 1645 CD GLN 105 23.028 -40.221 19.862 1.00 13.02 ATOM 1646 OE1 GLN 105 23.875 -39.401 19.506 1.00 34.20 ATOM 1647 NE2 GLN 105 23.236 -41.532 19.817 1.00 45.44 ATOM 1648 HE21 GLN 105 22.524 -42.143 20.114 1.00 74.34 ATOM 1649 HE22 GLN 105 24.104 -41.843 19.484 1.00 22.45 ATOM 1650 C GLN 105 19.990 -37.308 17.901 1.00 64.14 ATOM 1651 O GLN 105 20.409 -37.002 16.785 1.00 72.21 ATOM 1652 N ASN 106 18.701 -37.278 18.223 1.00 5.44 ATOM 1653 HN ASN 106 18.429 -37.523 19.128 1.00 36.60 ATOM 1654 CA ASN 106 17.682 -36.874 17.262 1.00 41.23 ATOM 1655 HA ASN 106 18.161 -36.561 16.341 1.00 11.05 ATOM 1656 CB ASN 106 16.759 -38.051 16.940 1.00 24.24 ATOM 1657 HB1 ASN 106 16.131 -37.778 16.106 1.00 36.60 ATOM 1658 HB2 ASN 106 16.141 -38.281 17.785 1.00 75.22 ATOM 1659 CG ASN 106 17.529 -39.299 16.551 1.00 15.03 ATOM 1660 OD1 ASN 106 18.734 -39.248 16.308 1.00 42.23 ATOM 1661 ND2 ASN 106 16.832 -40.428 16.491 1.00 63.21 ATOM 1662 HD21 ASN 106 15.881 -40.412 16.696 1.00 52.32 ATOM 1663 HD22 ASN 106 17.311 -41.245 16.239 1.00 13.04 ATOM 1664 C ASN 106 16.863 -35.703 17.796 1.00 3.25 ATOM 1665 O ASN 106 15.892 -35.893 18.529 1.00 71.54 ATOM 1666 N PHE 107 17.262 -34.491 17.425 1.00 12.31 ATOM 1667 HN PHE 107 18.042 -34.401 16.826 1.00 36.60 ATOM 1668 CA PHE 107 16.566 -33.288 17.867 1.00 34.12 ATOM 1669 HA PHE 107 16.317 -33.406 18.915 1.00 1.15 ATOM 1670 CB PHE 107 17.469 -32.063 17.711 1.00 64.40 ATOM 1671 HB1 PHE 107 17.674 -31.902 16.659 1.00 36.60 ATOM 1672 HB2 PHE 107 18.402 -32.256 18.223 1.00 54.02 ATOM 1673 CG PHE 107 16.884 -30.808 18.292 1.00 31.21 ATOM 1674 CD1 PHE 107 16.522 -30.751 19.628 1.00 14.11 ATOM 1675 HD1 PHE 107 16.664 -31.619 20.258 1.00 43.02 ATOM 1676 CD2 PHE 107 16.695 -29.686 17.502 1.00 42.31 ATOM 1677 HD2 PHE 107 16.973 -29.715 16.457 1.00 45.32 ATOM 1678 CE1 PHE 107 15.983 -29.597 20.166 1.00 32.32 ATOM 1679 HE1 PHE 107 15.704 -29.566 21.209 1.00 2.21 ATOM 1680 CE2 PHE 107 16.157 -28.529 18.034 1.00 24.34 ATOM 1681 HE2 PHE 107 16.014 -27.662 17.407 1.00 31.31 ATOM 1682 CZ PHE 107 15.800 -28.485 19.368 1.00 74.42 ATOM 1683 HZ PHE 107 15.375 -27.588 19.780 1.00 15.02 ATOM 1684 C PHE 107 15.275 -33.086 17.079 1.00 41.34 ATOM 1685 O PHE 107 14.299 -32.544 17.594 1.00 13.44 ATOM 1686 N ASN 108 15.280 -33.526 15.824 1.00 10.54 ATOM 1687 HN ASN 108 16.097 -33.931 15.451 1.00 36.60 ATOM 1688 CA ASN 108 14.111 -33.392 14.963 1.00 34.11 ATOM 1689 HA ASN 108 13.962 -32.341 14.764 1.00 73.13 ATOM 1690 CB ASN 108 14.342 -34.120 13.637 1.00 2.42 ATOM 1691 HB1 ASN 108 15.329 -33.878 13.269 1.00 36.60 ATOM 1692 HB2 ASN 108 13.608 -33.785 12.918 1.00 1.03 ATOM 1693 CG ASN 108 14.242 -35.626 13.779 1.00 31.12 ATOM 1694 OD1 ASN 108 15.176 -36.281 14.241 1.00 4.25 ATOM 1695 ND2 ASN 108 13.104 -36.183 13.381 1.00 63.33 ATOM 1696 HD21 ASN 108 12.390 -35.611 13.020 1.00 1.44 ATOM 1697 HD22 ASN 108 13.020 -37.156 13.465 1.00 43.41 ATOM 1698 C ASN 108 12.864 -33.945 15.648 1.00 5.43 ATOM 1699 O ASN 108 11.756 -33.451 15.439 1.00 43.41 ATOM 1700 N LYS 109 13.054 -34.972 16.469 1.00 73.52 ATOM 1701 HN LYS 109 13.960 -35.320 16.600 1.00 36.60 ATOM 1702 CA LYS 109 11.947 -35.592 17.187 1.00 32.44 ATOM 1703 HA LYS 109 11.164 -35.821 16.475 1.00 71.02 ATOM 1704 CB LYS 109 12.405 -36.895 17.847 1.00 65.15 ATOM 1705 HB1 LYS 109 11.524 -37.463 18.089 1.00 36.60 ATOM 1706 HB2 LYS 109 12.955 -36.678 18.754 1.00 4.44 ATOM 1707 CG LYS 109 13.284 -37.753 16.952 1.00 1.34 ATOM 1708 HG1 LYS 109 14.265 -37.330 16.952 1.00 36.60 ATOM 1709 HG2 LYS 109 12.891 -37.739 15.942 1.00 63.51 ATOM 1710 CD LYS 109 13.367 -39.183 17.458 1.00 34.22 ATOM 1711 HD1 LYS 109 12.889 -39.265 18.427 1.00 36.60 ATOM 1712 HD2 LYS 109 14.397 -39.456 17.556 1.00 62.11 ATOM 1713 CE LYS 109 12.689 -40.153 16.502 1.00 45.45 ATOM 1714 HE1 LYS 109 11.750 -39.734 16.163 1.00 36.60 ATOM 1715 HE2 LYS 109 12.494 -41.074 17.031 1.00 24.31 ATOM 1716 NZ LYS 109 13.544 -40.454 15.320 1.00 43.10 ATOM 1717 HZ1 LYS 109 13.986 -39.586 14.948 1.00 73.55 ATOM 1718 HZ2 LYS 109 12.965 -40.876 14.567 1.00 62.54 ATOM 1719 HZ3 LYS 109 14.288 -41.130 15.579 1.00 43.34 ATOM 1720 C LYS 109 11.386 -34.646 18.244 1.00 52.22 ATOM 1721 O LYS 109 10.171 -34.497 18.376 1.00 31.11 ATOM 1722 N VAL 110 12.278 -34.007 18.993 1.00 5.51 ATOM 1723 HN VAL 110 13.233 -34.138 18.807 1.00 36.60 ATOM 1724 CA VAL 110 11.872 -33.072 20.036 1.00 63.10 ATOM 1725 HA VAL 110 11.197 -33.592 20.707 1.00 32.04 ATOM 1726 CB VAL 110 13.083 -32.580 20.851 1.00 10.20 ATOM 1727 HB VAL 110 13.686 -31.934 20.225 1.00 35.53 ATOM 1728 CG1 VAL 110 12.623 -31.776 22.058 1.00 22.51 ATOM 1729 HG11 VAL 110 12.031 -32.402 22.711 1.00 35.20 ATOM 1730 HG12 VAL 110 12.034 -30.928 21.740 1.00 73.14 ATOM 1731 HG13 VAL 110 13.486 -31.419 22.589 1.00 63.40 ATOM 1732 CG2 VAL 110 13.949 -33.755 21.280 1.00 12.55 ATOM 1733 HG21 VAL 110 13.359 -34.474 21.807 1.00 55.51 ATOM 1734 HG22 VAL 110 14.741 -33.405 21.926 1.00 52.22 ATOM 1735 HG23 VAL 110 14.393 -34.220 20.416 1.00 54.45 ATOM 1736 C VAL 110 11.149 -31.868 19.444 1.00 72.03 ATOM 1737 O VAL 110 10.039 -31.531 19.858 1.00 75.53 ATOM 1738 N LEU 111 11.784 -31.222 18.472 1.00 21.21 ATOM 1739 HN LEU 111 12.673 -31.542 18.185 1.00 36.60 ATOM 1740 CA LEU 111 11.201 -30.054 17.821 1.00 71.41 ATOM 1741 HA LEU 111 11.095 -29.284 18.569 1.00 13.23 ATOM 1742 CB LEU 111 12.112 -29.567 16.693 1.00 2.42 ATOM 1743 HB1 LEU 111 11.825 -30.066 15.773 1.00 36.60 ATOM 1744 HB2 LEU 111 13.129 -29.864 16.924 1.00 74.12 ATOM 1745 CG LEU 111 12.116 -28.059 16.438 1.00 3.12 ATOM 1746 HG LEU 111 11.105 -27.731 16.243 1.00 34.21 ATOM 1747 CD1 LEU 111 12.625 -27.312 17.661 1.00 20.14 ATOM 1748 HD11 LEU 111 13.585 -26.874 17.464 1.00 12.31 ATOM 1749 HD12 LEU 111 12.724 -27.973 18.510 1.00 5.31 ATOM 1750 HD13 LEU 111 11.925 -26.535 17.910 1.00 33.42 ATOM 1751 CD2 LEU 111 12.963 -27.727 15.218 1.00 12.30 ATOM 1752 HD21 LEU 111 12.570 -28.244 14.353 1.00 54.14 ATOM 1753 HD22 LEU 111 13.985 -28.037 15.387 1.00 63.43 ATOM 1754 HD23 LEU 111 12.937 -26.661 15.037 1.00 60.01 ATOM 1755 C LEU 111 9.816 -30.374 17.268 1.00 34.04 ATOM 1756 O LEU 111 8.852 -29.653 17.526 1.00 11.12 ATOM 1757 N SER 112 9.723 -31.461 16.509 1.00 44.01 ATOM 1758 HN SER 112 10.533 -31.999 16.335 1.00 36.60 ATOM 1759 CA SER 112 8.456 -31.876 15.919 1.00 41.24 ATOM 1760 HA SER 112 8.161 -31.125 15.200 1.00 12.12 ATOM 1761 CB SER 112 8.619 -33.215 15.198 1.00 63.33 ATOM 1762 HB1 SER 112 9.265 -33.861 15.776 1.00 36.60 ATOM 1763 HB2 SER 112 9.057 -33.047 14.225 1.00 61.04 ATOM 1764 OG SER 112 7.368 -33.860 15.030 1.00 45.21 ATOM 1765 HG SER 112 6.907 -33.481 14.277 1.00 63.32 ATOM 1766 C SER 112 7.371 -31.988 16.985 1.00 30.21 ATOM 1767 O SER 112 6.220 -31.614 16.758 1.00 65.44 ATOM 1768 N SER 113 7.747 -32.506 18.150 1.00 34.22 ATOM 1769 HN SER 113 8.681 -32.798 18.275 1.00 36.60 ATOM 1770 CA SER 113 6.806 -32.672 19.252 1.00 73.22 ATOM 1771 HA SER 113 5.963 -33.249 18.894 1.00 51.53 ATOM 1772 CB SER 113 7.466 -33.431 20.404 1.00 21.24 ATOM 1773 HB1 SER 113 8.141 -32.780 20.945 1.00 36.60 ATOM 1774 HB2 SER 113 8.022 -34.255 19.992 1.00 52.12 ATOM 1775 OG SER 113 6.495 -33.941 21.302 1.00 61.11 ATOM 1776 HG SER 113 6.108 -33.218 21.803 1.00 41.44 ATOM 1777 C SER 113 6.300 -31.319 19.743 1.00 73.24 ATOM 1778 O SER 113 5.094 -31.105 19.876 1.00 61.10 ATOM 1779 N LEU 114 7.229 -30.409 20.010 1.00 4.21 ATOM 1780 HN LEU 114 8.178 -30.637 19.867 1.00 36.60 ATOM 1781 CA LEU 114 6.880 -29.075 20.487 1.00 75.15 ATOM 1782 HA LEU 114 6.274 -29.180 21.376 1.00 21.32 ATOM 1783 CB LEU 114 8.144 -28.289 20.836 1.00 2.05 ATOM 1784 HB1 LEU 114 7.840 -27.343 21.266 1.00 36.60 ATOM 1785 HB2 LEU 114 8.685 -28.089 19.918 1.00 25.50 ATOM 1786 CG LEU 114 9.109 -28.968 21.809 1.00 61.20 ATOM 1787 HG LEU 114 9.531 -29.837 21.344 1.00 53.24 ATOM 1788 CD1 LEU 114 10.254 -28.033 22.165 1.00 24.10 ATOM 1789 HD11 LEU 114 9.864 -27.131 22.611 1.00 1.12 ATOM 1790 HD12 LEU 114 10.816 -27.794 21.276 1.00 50.14 ATOM 1791 HD13 LEU 114 10.907 -28.522 22.869 1.00 24.32 ATOM 1792 CD2 LEU 114 8.374 -29.416 23.064 1.00 61.21 ATOM 1793 HD21 LEU 114 7.639 -30.165 22.810 1.00 14.32 ATOM 1794 HD22 LEU 114 7.882 -28.569 23.522 1.00 72.05 ATOM 1795 HD23 LEU 114 9.080 -29.840 23.766 1.00 63.45 ATOM 1796 C LEU 114 6.070 -28.318 19.439 1.00 52.30 ATOM 1797 O LEU 114 5.127 -27.598 19.769 1.00 44.52 ATOM 1798 N VAL 115 6.442 -28.487 18.174 1.00 5.02 ATOM 1799 HN VAL 115 7.200 -29.078 17.966 1.00 36.60 ATOM 1800 CA VAL 115 5.749 -27.822 17.077 1.00 21.24 ATOM 1801 HA VAL 115 5.668 -26.766 17.314 1.00 11.22 ATOM 1802 CB VAL 115 6.528 -27.960 15.756 1.00 53.04 ATOM 1803 HB VAL 115 6.624 -29.012 15.522 1.00 43.23 ATOM 1804 CG1 VAL 115 5.774 -27.287 14.619 1.00 51.40 ATOM 1805 HG11 VAL 115 6.397 -27.264 13.733 1.00 72.31 ATOM 1806 HG12 VAL 115 5.516 -26.274 14.896 1.00 22.33 ATOM 1807 HG13 VAL 115 4.873 -27.839 14.396 1.00 74.32 ATOM 1808 CG2 VAL 115 7.926 -27.377 15.898 1.00 33.41 ATOM 1809 HG21 VAL 115 8.351 -27.611 16.856 1.00 33.12 ATOM 1810 HG22 VAL 115 7.887 -26.300 15.793 1.00 21.34 ATOM 1811 HG23 VAL 115 8.558 -27.784 15.122 1.00 25.40 ATOM 1812 C VAL 115 4.346 -28.390 16.890 1.00 45.52 ATOM 1813 O VAL 115 3.425 -27.678 16.489 1.00 14.23 ATOM 1814 N THR 116 4.191 -29.677 17.182 1.00 33.04 ATOM 1815 HN THR 116 4.962 -30.207 17.492 1.00 36.60 ATOM 1816 CA THR 116 2.901 -30.341 17.046 1.00 74.23 ATOM 1817 HA THR 116 2.426 -29.987 16.137 1.00 75.31 ATOM 1818 CB THR 116 3.064 -31.869 16.931 1.00 5.52 ATOM 1819 HB THR 116 3.563 -32.233 17.820 1.00 11.41 ATOM 1820 OG1 THR 116 3.861 -32.191 15.786 1.00 25.32 ATOM 1821 HG1 THR 116 4.280 -33.046 15.914 1.00 64.52 ATOM 1822 CG2 THR 116 1.710 -32.551 16.821 1.00 34.42 ATOM 1823 HG21 THR 116 1.222 -32.555 17.784 1.00 73.42 ATOM 1824 HG22 THR 116 1.853 -33.570 16.492 1.00 32.25 ATOM 1825 HG23 THR 116 1.089 -32.031 16.103 1.00 20.44 ATOM 1826 C THR 116 1.992 -30.026 18.228 1.00 31.24 ATOM 1827 O THR 116 0.807 -29.740 18.055 1.00 54.32 ATOM 1828 N LEU 117 2.554 -30.080 19.431 1.00 71.21 ATOM 1829 HN LEU 117 3.505 -30.326 19.510 1.00 36.60 ATOM 1830 CA LEU 117 1.794 -29.799 20.644 1.00 73.51 ATOM 1831 HA LEU 117 1.027 -30.548 20.736 1.00 25.42 ATOM 1832 CB LEU 117 2.704 -29.883 21.871 1.00 72.24 ATOM 1833 HB1 LEU 117 3.616 -29.345 21.646 1.00 36.60 ATOM 1834 HB2 LEU 117 2.955 -30.924 22.028 1.00 13.33 ATOM 1835 CG LEU 117 2.129 -29.322 23.172 1.00 64.40 ATOM 1836 HG LEU 117 1.907 -28.274 23.052 1.00 55.43 ATOM 1837 CD1 LEU 117 0.831 -30.028 23.530 1.00 31.43 ATOM 1838 HD11 LEU 117 0.744 -30.962 22.991 1.00 41.55 ATOM 1839 HD12 LEU 117 0.002 -29.396 23.267 1.00 20.54 ATOM 1840 HD13 LEU 117 0.788 -30.229 24.594 1.00 54.52 ATOM 1841 CD2 LEU 117 3.140 -29.455 24.302 1.00 61.11 ATOM 1842 HD21 LEU 117 4.153 -29.379 23.926 1.00 15.14 ATOM 1843 HD22 LEU 117 3.000 -30.400 24.782 1.00 15.44 ATOM 1844 HD23 LEU 117 2.967 -28.668 25.019 1.00 55.53 ATOM 1845 C LEU 117 1.143 -28.422 20.572 1.00 1.33 ATOM 1846 O LEU 117 0.101 -28.184 21.181 1.00 73.41 ATOM 1847 N ASN 118 1.765 -27.518 19.822 1.00 0.45 ATOM 1848 HN ASN 118 2.617 -27.741 19.384 1.00 36.60 ATOM 1849 CA ASN 118 1.245 -26.163 19.670 1.00 65.54 ATOM 1850 HA ASN 118 0.846 -25.837 20.623 1.00 65.33 ATOM 1851 CB ASN 118 2.368 -25.207 19.261 1.00 71.42 ATOM 1852 HB1 ASN 118 2.881 -25.613 18.401 1.00 36.60 ATOM 1853 HB2 ASN 118 3.068 -25.111 20.079 1.00 32.21 ATOM 1854 CG ASN 118 1.850 -23.828 18.902 1.00 2.10 ATOM 1855 OD1 ASN 118 1.658 -23.511 17.728 1.00 1.31 ATOM 1856 ND2 ASN 118 1.622 -23.000 19.915 1.00 41.12 ATOM 1857 HD21 ASN 118 1.775 -23.312 20.812 1.00 10.32 ATOM 1858 HD22 ASN 118 1.304 -22.097 19.706 1.00 4.14 ATOM 1859 C ASN 118 0.126 -26.124 18.634 1.00 41.03 ATOM 1860 O ASN 118 -0.919 -25.513 18.856 1.00 75.03 ATOM 1861 N LYS 119 0.353 -26.780 17.501 1.00 75.42 ATOM 1862 HN LYS 119 1.214 -27.247 17.375 1.00 36.60 ATOM 1863 CA LYS 119 -0.636 -26.823 16.430 1.00 32.21 ATOM 1864 HA LYS 119 -0.907 -25.804 16.178 1.00 71.44 ATOM 1865 CB LYS 119 -0.050 -27.508 15.193 1.00 5.43 ATOM 1866 HB1 LYS 119 -0.856 -27.865 14.562 1.00 36.60 ATOM 1867 HB2 LYS 119 0.536 -28.359 15.517 1.00 45.32 ATOM 1868 CG LYS 119 0.823 -26.595 14.349 1.00 15.50 ATOM 1869 HG1 LYS 119 1.330 -25.885 14.991 1.00 36.60 ATOM 1870 HG2 LYS 119 0.198 -26.059 13.650 1.00 12.21 ATOM 1871 CD LYS 119 1.871 -27.380 13.579 1.00 73.10 ATOM 1872 HD1 LYS 119 2.454 -27.972 14.269 1.00 36.60 ATOM 1873 HD2 LYS 119 2.519 -26.683 13.068 1.00 20.13 ATOM 1874 CE LYS 119 1.233 -28.304 12.553 1.00 54.54 ATOM 1875 HE1 LYS 119 0.361 -27.825 12.125 1.00 36.60 ATOM 1876 HE2 LYS 119 0.933 -29.215 13.047 1.00 61.14 ATOM 1877 NZ LYS 119 2.175 -28.643 11.451 1.00 73.35 ATOM 1878 HZ1 LYS 119 3.017 -29.125 11.830 1.00 34.55 ATOM 1879 HZ2 LYS 119 2.477 -27.780 10.953 1.00 75.12 ATOM 1880 HZ3 LYS 119 1.709 -29.274 10.768 1.00 62.31 ATOM 1881 C LYS 119 -1.895 -27.557 16.881 1.00 51.10 ATOM 1882 O LYS 119 -3.010 -27.066 16.701 1.00 62.31 ATOM 1883 N VAL 120 -1.710 -28.734 17.469 1.00 22.43 ATOM 1884 HN VAL 120 -0.795 -29.079 17.565 1.00 36.60 ATOM 1885 CA VAL 120 -2.831 -29.534 17.948 1.00 24.55 ATOM 1886 HA VAL 120 -3.445 -29.800 17.096 1.00 11.53 ATOM 1887 CB VAL 120 -2.346 -30.831 18.624 1.00 72.20 ATOM 1888 HB VAL 120 -3.209 -31.367 18.971 1.00 71.40 ATOM 1889 CG1 VAL 120 -1.622 -31.717 17.622 1.00 44.00 ATOM 1890 HG11 VAL 120 -0.796 -31.188 17.182 1.00 52.10 ATOM 1891 HG12 VAL 120 -2.310 -32.009 16.842 1.00 11.23 ATOM 1892 HG13 VAL 120 -1.256 -32.605 18.119 1.00 44.33 ATOM 1893 CG2 VAL 120 -1.450 -30.511 19.811 1.00 40.44 ATOM 1894 HG21 VAL 120 -2.058 -30.159 20.630 1.00 45.31 ATOM 1895 HG22 VAL 120 -0.752 -29.758 19.552 1.00 50.40 ATOM 1896 HG23 VAL 120 -0.920 -31.400 20.127 1.00 71.34 ATOM 1897 C VAL 120 -3.684 -28.748 18.937 1.00 54.13 ATOM 1898 O VAL 120 -4.902 -28.923 19.000 1.00 22.22 ATOM 1899 N THR 121 -3.038 -27.879 19.708 1.00 54.43 ATOM 1900 HN THR 121 -2.061 -27.781 19.628 1.00 36.60 ATOM 1901 CA THR 121 -3.738 -27.065 20.694 1.00 44.21 ATOM 1902 HA THR 121 -4.549 -27.650 21.117 1.00 20.44 ATOM 1903 CB THR 121 -2.799 -26.641 21.839 1.00 13.45 ATOM 1904 HB THR 121 -3.291 -25.887 22.438 1.00 3.30 ATOM 1905 OG1 THR 121 -1.587 -26.099 21.304 1.00 4.03 ATOM 1906 HG1 THR 121 -1.729 -25.184 21.047 1.00 24.13 ATOM 1907 CG2 THR 121 -2.478 -27.823 22.742 1.00 50.44 ATOM 1908 HG21 THR 121 -3.057 -27.744 23.650 1.00 11.05 ATOM 1909 HG22 THR 121 -1.435 -27.820 22.985 1.00 10.45 ATOM 1910 HG23 THR 121 -2.718 -28.757 22.249 1.00 15.00 ATOM 1911 C THR 121 -4.335 -25.817 20.053 1.00 31.23 ATOM 1912 O THR 121 -5.326 -25.272 20.539 1.00 61.51 ATOM 1913 N ALA 122 -3.726 -25.370 18.960 1.00 54.12 ATOM 1914 HN ALA 122 -2.916 -25.817 18.637 1.00 36.60 ATOM 1915 CA ALA 122 -4.200 -24.188 18.251 1.00 15.31 ATOM 1916 HA ALA 122 -4.153 -23.354 18.931 1.00 64.32 ATOM 1917 CB ALA 122 -3.293 -23.882 17.069 1.00 3.51 ATOM 1918 HB1 ALA 122 -2.271 -23.813 17.411 1.00 52.33 ATOM 1919 HB2 ALA 122 -3.585 -22.942 16.624 1.00 40.21 ATOM 1920 HB3 ALA 122 -3.372 -24.668 16.332 1.00 31.11 ATOM 1921 C ALA 122 -5.640 -24.369 17.782 1.00 60.31 ATOM 1922 O ALA 122 -6.391 -23.401 17.664 1.00 34.21 ATOM 1923 N ASP 123 -6.017 -25.615 17.515 1.00 55.31 ATOM 1924 HN ASP 123 -5.372 -26.354 17.602 1.00 36.60 ATOM 1925 CA ASP 123 -7.368 -25.923 17.059 1.00 63.24 ATOM 1926 HA ASP 123 -7.662 -25.160 16.345 1.00 31.41 ATOM 1927 CB ASP 123 -7.398 -27.291 16.375 1.00 41.12 ATOM 1928 HB1 ASP 123 -7.507 -28.075 17.115 1.00 36.60 ATOM 1929 HB2 ASP 123 -6.468 -27.440 15.843 1.00 11.22 ATOM 1930 CG ASP 123 -8.528 -27.412 15.372 1.00 51.25 ATOM 1931 OD1 ASP 123 -9.250 -28.430 15.411 1.00 24.12 ATOM 1932 OD2 ASP 123 -8.691 -26.489 14.546 1.00 5.41 ATOM 1933 C ASP 123 -8.353 -25.901 18.223 1.00 52.11 ATOM 1934 O ASP 123 -9.543 -25.644 18.037 1.00 40.23 ATOM 1935 N ILE 124 -7.850 -26.173 19.422 1.00 12.33 ATOM 1936 HN ILE 124 -6.897 -26.367 19.513 1.00 36.60 ATOM 1937 CA ILE 124 -8.686 -26.184 20.616 1.00 14.31 ATOM 1938 HA ILE 124 -9.538 -26.829 20.427 1.00 51.13 ATOM 1939 CB ILE 124 -7.923 -26.738 21.833 1.00 22.42 ATOM 1940 HB ILE 124 -7.098 -26.075 22.054 1.00 53.44 ATOM 1941 CG1 ILE 124 -7.370 -28.131 21.524 1.00 33.45 ATOM 1942 HG11 ILE 124 -6.712 -28.081 20.670 1.00 36.60 ATOM 1943 HG12 ILE 124 -8.188 -28.801 21.301 1.00 51.30 ATOM 1944 CG2 ILE 124 -8.830 -26.781 23.053 1.00 35.14 ATOM 1945 HG21 ILE 124 -8.285 -27.158 23.906 1.00 63.13 ATOM 1946 HG22 ILE 124 -9.673 -27.427 22.858 1.00 63.43 ATOM 1947 HG23 ILE 124 -9.189 -25.790 23.287 1.00 54.30 ATOM 1948 CD1 ILE 124 -6.581 -28.735 22.665 1.00 34.03 ATOM 1949 HD11 ILE 124 -7.252 -29.010 23.465 1.00 73.42 ATOM 1950 HD12 ILE 124 -5.858 -28.019 23.031 1.00 52.15 ATOM 1951 HD13 ILE 124 -6.064 -29.616 22.314 1.00 1.12 ATOM 1952 C ILE 124 -9.195 -24.784 20.944 1.00 40.00 ATOM 1953 O ILE 124 -10.325 -24.614 21.401 1.00 45.34 ATOM 1954 N GLY 125 -8.353 -23.783 20.706 1.00 64.13 ATOM 1955 HN GLY 125 -7.477 -23.974 20.302 1.00 36.60 ATOM 1956 CA GLY 125 -8.735 -22.410 20.980 1.00 72.32 ATOM 1957 HA1 GLY 125 -9.216 -22.355 21.950 1.00 36.60 ATOM 1958 HA2 GLY 125 -9.437 -22.087 20.226 1.00 12.33 ATOM 1959 C GLY 125 -7.549 -21.466 20.978 1.00 71.51 ATOM 1960 O GLY 125 -7.688 -20.283 20.666 1.00 73.01 ATOM 1961 N LEU 126 -6.379 -21.989 21.328 1.00 10.24 ATOM 1962 HN LEU 126 -6.322 -22.942 21.540 1.00 36.60 ATOM 1963 HA LEU 126 -5.387 -20.249 21.867 1.00 13.40 ATOM 1964 CB LEU 126 -4.073 -21.909 22.159 1.00 71.32 ATOM 1965 HB1 LEU 126 -3.327 -21.179 22.444 1.00 36.60 ATOM 1966 HB2 LEU 126 -3.603 -22.637 21.505 1.00 52.31 ATOM 1967 CG LEU 126 -4.534 -22.644 23.418 1.00 11.33 ATOM 1968 HG LEU 126 -5.268 -23.388 23.158 1.00 73.41 ATOM 1969 CD1 LEU 126 -3.368 -23.371 24.069 1.00 3.44 ATOM 1970 HD11 LEU 126 -2.635 -22.654 24.412 1.00 21.32 ATOM 1971 HD12 LEU 126 -2.909 -24.038 23.357 1.00 23.23 ATOM 1972 HD13 LEU 126 -3.736 -23.940 24.910 1.00 4.30 ATOM 1973 CD2 LEU 126 -5.173 -21.671 24.399 1.00 71.22 ATOM 1974 HD21 LEU 126 -4.459 -20.905 24.671 1.00 55.14 ATOM 1975 HD22 LEU 126 -5.483 -22.203 25.288 1.00 31.30 ATOM 1976 HD23 LEU 126 -6.039 -21.210 23.946 1.00 4.22 ATOM 1977 CA LEU 126 -5.163 -21.184 21.368 1.00 41.14 ATOM 1978 C LEU 126 -4.666 -20.879 19.958 1.00 12.31 ATOM 1979 OT1 LEU 126 -5.345 -21.247 18.972 1.00 36.60 ATOM 1980 OT2 LEU 126 -3.597 -20.235 19.833 1.00 36.60 ATOM 1981 OH2 TIP3 1 -4.518 -44.627 12.727 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -4.378 -45.218 11.988 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -4.350 -43.754 12.371 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -1.963 -41.946 14.304 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -2.012 -42.901 14.267 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -2.789 -41.678 14.706 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -4.811 -50.453 14.784 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -5.218 -49.972 14.064 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -4.770 -51.358 14.477 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -4.681 -38.078 15.411 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -4.481 -37.654 14.576 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -4.025 -37.735 16.018 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -8.113 -42.950 13.043 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -9.014 -42.767 12.775 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -8.079 -42.691 13.964 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -2.418 -44.905 14.247 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -3.270 -44.667 13.880 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -1.828 -44.922 13.494 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -6.238 -40.320 13.091 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -6.840 -40.875 12.596 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.957 -39.653 12.465 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -8.080 -42.096 15.635 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -8.431 -42.952 15.878 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -7.354 -41.953 16.242 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.957 -45.699 13.056 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -6.212 -45.111 12.936 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.714 -45.117 13.119 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -9.548 -46.905 16.312 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -8.595 -46.821 16.284 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -9.708 -47.616 16.931 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -7.818 -50.397 16.877 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -7.626 -51.328 16.766 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -6.961 -49.972 16.867 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -6.502 -47.608 14.955 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -6.783 -46.899 14.377 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -5.559 -47.681 14.804 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -2.252 -39.416 9.287 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -2.274 -39.231 10.226 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -1.562 -38.847 8.946 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -2.689 -39.849 12.209 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -3.176 -40.584 11.838 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -2.140 -40.242 12.887 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -3.900 -47.258 14.387 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -3.317 -47.992 14.578 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -3.336 -46.486 14.433 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -2.403 -49.355 15.071 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -3.266 -49.734 14.906 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -1.799 -50.094 14.997 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -4.316 -40.795 15.017 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -5.098 -40.981 14.497 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -4.388 -39.866 15.234 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -8.766 -46.909 23.903 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -8.677 -45.965 23.771 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -9.405 -47.184 23.245 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -6.127 -44.715 25.624 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -6.568 -45.435 26.074 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -6.140 -43.994 26.254 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -9.016 -39.610 25.836 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -8.396 -40.287 25.563 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -9.224 -39.828 26.744 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -8.969 -44.308 22.946 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -9.265 -44.630 22.095 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.293 -43.408 22.988 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -5.615 -42.875 27.972 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -6.557 -42.817 28.133 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -5.339 -41.969 27.835 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -4.518 -44.627 31.583 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.378 -45.218 30.844 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -4.350 -43.754 31.227 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -10.045 -47.665 21.355 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -10.757 -47.130 21.004 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.354 -47.609 20.695 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -9.991 -49.207 18.394 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -9.290 -49.185 19.045 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -9.689 -49.835 17.738 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -6.639 -47.455 22.307 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -7.371 -47.227 22.880 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -6.192 -48.169 22.762 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -8.318 -42.553 28.557 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -8.559 -41.891 29.205 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -8.516 -43.387 28.982 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -7.768 -48.293 19.992 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -7.189 -48.143 20.739 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -7.354 -47.822 19.269 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -10.042 -41.556 23.427 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -9.568 -41.261 24.205 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -10.605 -40.818 23.194 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.963 -41.946 33.160 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -2.012 -42.901 33.123 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -2.789 -41.678 33.562 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -10.570 -38.600 21.842 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -10.645 -38.721 20.896 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -10.537 -37.650 21.961 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -7.468 -39.446 18.845 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -7.093 -40.190 18.374 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -7.464 -39.716 19.763 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -9.419 -49.996 22.457 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -9.828 -49.181 22.165 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -8.699 -50.136 21.842 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.883 -45.596 20.712 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -12.627 -46.103 20.389 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -12.017 -45.547 21.658 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -4.733 -46.463 29.498 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -4.091 -46.006 28.955 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -5.563 -46.350 29.036 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -7.267 -50.915 20.572 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -6.375 -51.052 20.891 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -7.210 -50.124 20.035 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -9.757 -44.137 19.737 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -10.052 -43.311 20.119 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -10.460 -44.757 19.933 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -8.113 -42.950 31.899 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -9.014 -42.767 31.631 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -8.079 -42.691 32.820 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -2.382 -50.705 20.266 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -2.936 -51.101 19.594 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -2.281 -49.795 19.989 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -2.418 -44.905 33.103 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -3.270 -44.667 32.736 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -1.828 -44.922 32.350 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -6.926 -47.111 27.753 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -7.854 -47.343 27.726 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -6.475 -47.888 27.423 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -6.238 -40.320 31.947 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -6.840 -40.875 31.452 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -5.957 -39.653 31.321 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -10.928 -41.563 20.204 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -11.745 -41.066 20.257 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -10.399 -41.088 19.564 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -6.055 -49.322 26.292 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -6.852 -49.737 25.963 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -5.610 -50.013 26.783 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -10.565 -40.968 17.137 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -11.209 -41.599 17.459 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -9.803 -41.499 16.905 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -9.654 -44.194 16.964 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -9.922 -44.014 17.865 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -9.860 -45.120 16.833 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -4.238 -44.059 35.703 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.104 -44.164 36.097 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -3.862 -43.300 36.150 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -2.784 -44.964 27.989 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -1.950 -45.342 27.708 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -2.672 -44.021 27.870 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -4.297 -42.086 30.296 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -4.945 -41.761 30.921 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -4.815 -42.526 29.621 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -3.926 -50.608 17.983 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -3.829 -49.941 17.303 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -4.066 -51.424 17.501 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -4.756 -49.228 23.604 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -4.906 -50.173 23.584 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -5.110 -48.947 24.448 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -5.046 -51.645 22.066 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -4.766 -52.552 22.191 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -4.287 -51.211 21.677 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -8.519 -38.738 32.720 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -7.842 -39.370 32.480 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -8.197 -38.336 33.528 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -10.595 -38.678 28.770 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -11.052 -38.149 28.116 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -10.432 -38.075 29.495 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -8.268 -39.800 29.715 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -9.172 -39.635 29.449 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -7.839 -38.947 29.649 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.663 -38.230 30.010 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.845 -37.314 29.799 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -5.487 -38.640 29.163 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -10.243 -39.109 19.043 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -9.377 -38.743 18.865 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -10.490 -39.549 18.230 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -4.316 -40.795 33.873 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -5.098 -40.981 33.353 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -4.388 -39.866 34.090 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -7.363 -41.094 43.453 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -6.938 -41.801 42.968 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -7.046 -40.293 43.036 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.204 -43.193 41.962 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.461 -43.883 41.350 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -6.133 -43.636 42.807 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -7.468 -39.446 37.701 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -7.093 -40.190 37.230 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -7.464 -39.716 38.619 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -7.799 -39.520 40.450 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -8.734 -39.420 40.629 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -7.519 -40.229 41.028 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -6.694 -43.943 37.408 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -6.341 -44.323 38.212 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -7.643 -44.036 37.494 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -5.828 -45.270 39.634 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -6.105 -45.998 40.190 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.901 -45.151 39.840 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -5.961 -41.151 36.227 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -5.678 -41.945 36.680 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -5.221 -40.918 35.666 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -3.396 -46.671 36.098 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -3.669 -47.096 35.285 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -3.356 -45.740 35.881 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.252 -39.416 46.999 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.274 -39.231 47.938 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -1.562 -38.847 46.658 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -2.937 -45.802 40.073 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -2.087 -45.381 40.201 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -2.932 -46.542 40.681 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -2.543 -47.749 41.897 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -3.269 -48.228 42.295 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -1.962 -47.543 42.629 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -2.275 -47.848 38.288 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -2.796 -47.491 37.569 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -2.308 -47.173 38.966 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -5.514 -39.326 42.571 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -4.861 -39.673 41.963 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -5.003 -38.837 43.217 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -10.243 -39.109 37.899 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -9.377 -38.743 37.721 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -10.490 -39.549 37.086 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -9.833 -28.798 8.466 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -9.871 -29.444 9.171 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -10.156 -29.264 7.695 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -11.444 -26.365 8.872 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -11.140 -27.051 8.278 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -10.722 -26.247 9.490 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -2.781 -34.764 9.733 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.732 -34.154 10.469 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.355 -34.303 9.010 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -8.303 -31.971 9.200 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -8.160 -32.918 9.220 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -8.409 -31.764 8.271 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.389 -33.286 11.969 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.078 -32.628 11.874 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -2.374 -33.483 12.906 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -13.769 -27.276 10.834 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -14.509 -26.678 10.937 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -13.055 -26.722 10.518 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -15.361 -25.312 11.621 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -15.367 -24.433 11.243 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -16.215 -25.395 12.046 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.615 -24.019 9.116 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -6.557 -23.961 9.277 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -5.339 -23.113 8.979 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.518 -25.771 12.727 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -4.378 -26.362 11.988 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -4.350 -24.898 12.371 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.676 -29.431 10.793 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -3.328 -28.736 10.882 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.211 -29.221 9.983 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -6.742 -30.425 12.519 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -6.662 -29.662 13.091 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -7.343 -30.146 11.828 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -8.318 -23.697 9.701 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -8.559 -23.035 10.349 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -8.516 -24.531 10.126 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -13.747 -24.801 13.684 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -14.059 -24.019 14.140 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -14.397 -24.954 12.998 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -16.827 -28.603 12.913 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -16.757 -27.952 13.611 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -17.718 -28.500 12.578 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -15.508 -22.729 14.448 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -15.500 -22.865 13.500 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -16.424 -22.847 14.700 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -4.811 -31.597 14.784 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.218 -31.116 14.064 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -4.770 -32.502 14.477 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.054 -33.265 13.005 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.568 -33.391 13.802 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -7.209 -32.353 12.760 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -9.151 -30.056 11.086 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -8.827 -30.687 10.443 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -9.591 -30.591 11.747 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -4.681 -19.222 15.411 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -4.481 -18.798 14.576 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -4.025 -18.879 16.018 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -12.427 -32.953 10.171 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -13.262 -32.499 10.281 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -11.903 -32.677 10.923 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -4.733 -27.607 10.642 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -4.091 -27.150 10.099 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -5.563 -27.494 10.180 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -6.926 -28.255 8.897 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -7.854 -28.487 8.870 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -6.475 -29.032 8.567 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -12.441 -22.115 10.921 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -12.078 -21.260 10.688 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -11.909 -22.407 11.662 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -6.238 -21.464 13.091 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -6.840 -22.019 12.596 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -5.957 -20.797 12.465 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -9.381 -34.490 11.388 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -8.683 -34.416 12.038 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -9.762 -35.354 11.543 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -10.861 -32.124 12.505 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -10.742 -31.550 13.262 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -10.206 -32.812 12.620 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -4.657 -34.217 13.340 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -5.573 -33.954 13.252 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -4.321 -34.220 12.443 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -14.657 -21.620 16.906 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -13.889 -22.079 17.247 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -14.678 -21.846 15.976 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -14.568 -30.520 13.034 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -15.186 -29.845 13.315 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -14.224 -30.199 12.201 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -14.228 -33.165 14.117 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -14.078 -33.894 13.514 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -14.226 -32.388 13.558 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -12.234 -29.356 11.849 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.483 -29.512 11.276 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -12.573 -28.504 11.573 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -15.750 -31.967 16.028 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -16.517 -32.499 15.818 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -15.071 -32.277 15.429 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -11.746 -33.017 15.604 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -11.982 -33.237 16.506 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -12.529 -33.224 15.095 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -9.030 -33.890 14.680 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -9.978 -33.858 14.812 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -8.718 -34.515 15.334 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -7.396 -35.256 16.685 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -7.493 -36.208 16.679 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -7.718 -34.987 17.546 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -2.689 -20.993 12.209 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -3.176 -21.728 11.838 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -2.140 -21.386 12.887 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -2.784 -26.108 9.133 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -1.950 -26.486 8.852 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -2.672 -25.165 9.014 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -4.297 -23.230 11.440 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -4.945 -22.905 12.065 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -4.815 -23.670 10.765 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -4.434 -32.208 8.646 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -3.501 -31.996 8.612 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -4.669 -32.106 9.569 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -4.405 -31.471 11.422 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -5.248 -31.203 11.788 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -3.962 -30.649 11.211 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -2.602 -35.382 15.125 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -3.519 -35.111 15.089 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -2.479 -35.917 14.341 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -10.864 -21.167 14.620 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -10.679 -21.501 15.498 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -10.017 -20.858 14.298 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -8.519 -19.882 13.864 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -7.842 -20.514 13.624 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -8.197 -19.480 14.672 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -3.601 -37.292 12.944 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -4.414 -36.967 12.556 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.368 -38.052 12.411 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -8.268 -20.944 10.859 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -9.172 -20.779 10.593 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -7.839 -20.091 10.793 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -5.663 -19.374 11.154 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -5.845 -18.458 10.943 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -5.487 -19.784 10.307 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -7.492 -38.012 16.324 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -7.416 -38.438 17.178 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -6.599 -37.998 15.982 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -9.833 -28.798 27.322 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -9.871 -29.444 28.027 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -10.156 -29.264 26.551 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.016 -20.754 25.836 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -8.396 -21.431 25.563 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -9.224 -20.972 26.744 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -11.444 -26.365 27.728 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -11.140 -27.051 27.134 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -10.722 -26.247 28.346 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -13.372 -29.923 25.306 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -12.756 -30.449 25.815 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -13.958 -30.563 24.902 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -12.312 -37.646 26.855 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -12.429 -38.595 26.801 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -13.167 -37.314 27.128 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -14.994 -27.969 24.190 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -15.324 -28.339 23.371 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -14.406 -28.639 24.536 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -13.627 -24.541 26.871 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -13.722 -25.119 26.114 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -12.898 -24.912 27.367 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -14.627 -29.200 27.823 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -14.062 -29.079 27.060 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -14.308 -28.563 28.462 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -8.318 -23.697 28.557 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -8.559 -23.035 29.205 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -8.516 -24.531 28.982 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -16.004 -28.899 21.779 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -16.296 -28.131 21.288 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -16.678 -29.559 21.616 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.984 -23.516 32.036 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -10.897 -22.690 32.511 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -11.848 -23.846 32.285 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -16.916 -20.955 23.623 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -16.764 -21.303 24.502 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -17.767 -21.311 23.368 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -10.380 -37.021 31.007 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -9.960 -37.436 31.760 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -11.313 -37.199 31.124 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -10.718 -34.528 18.292 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.972 -34.509 19.215 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.975 -35.400 17.991 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -14.955 -31.556 23.640 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -15.848 -31.897 23.581 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -14.504 -31.933 22.884 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -10.317 -30.965 33.945 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -10.880 -31.669 34.265 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -9.491 -31.085 34.412 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -8.415 -31.694 25.271 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -8.610 -31.089 24.556 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -8.233 -32.528 24.836 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -13.836 -34.083 17.393 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -14.267 -34.528 18.123 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -14.554 -33.711 16.881 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -9.151 -30.056 29.942 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -8.827 -30.687 29.299 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -9.591 -30.591 30.603 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -12.373 -34.129 24.726 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -13.284 -34.072 25.015 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -11.868 -34.189 25.537 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -13.892 -32.500 21.209 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -12.960 -32.371 21.387 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -14.107 -31.830 20.560 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -15.218 -31.305 18.776 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -15.760 -31.685 18.085 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -14.384 -31.111 18.347 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -4.681 -19.222 34.267 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -4.481 -18.798 33.432 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -4.025 -18.879 34.874 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -11.053 -31.341 26.613 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -10.489 -31.888 26.066 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -11.201 -31.863 27.402 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -12.427 -32.953 29.027 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -13.262 -32.499 29.137 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -11.903 -32.677 29.779 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -7.985 -33.926 18.911 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -8.923 -33.814 18.760 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -7.688 -33.069 19.217 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -10.363 -26.556 31.949 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.709 -26.937 32.755 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.563 -25.622 32.020 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -12.733 -29.467 34.009 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -13.029 -29.633 33.114 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -11.802 -29.687 33.999 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -8.113 -24.094 31.899 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -9.014 -23.911 31.631 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -8.079 -23.835 32.820 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -14.383 -23.927 23.886 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -13.856 -23.154 23.685 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -15.263 -23.702 23.584 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -14.272 -21.242 23.007 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -15.222 -21.137 23.059 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -13.921 -20.422 23.352 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.897 -26.016 29.478 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -9.323 -26.243 30.304 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -8.316 -26.754 29.295 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -6.238 -21.464 31.947 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -6.840 -22.019 31.452 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -5.957 -20.797 31.321 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -17.213 -27.152 19.965 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -17.899 -26.800 20.532 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -16.690 -26.389 19.719 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -9.381 -34.490 30.244 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -8.683 -34.416 30.894 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.762 -35.354 30.399 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -8.597 -34.838 21.341 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -8.377 -34.366 20.538 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -8.039 -34.443 22.012 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -11.397 -33.110 22.176 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -10.585 -32.606 22.222 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -11.642 -33.255 23.090 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -10.861 -32.124 31.361 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -10.742 -31.550 32.118 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -10.206 -32.812 31.476 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -10.513 -36.029 23.114 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -10.860 -35.411 23.759 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -9.855 -35.528 22.633 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.590 -21.664 20.186 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -13.429 -20.864 19.685 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.787 -21.357 21.071 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -16.597 -24.538 18.862 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -16.005 -23.839 19.138 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -16.138 -24.971 18.143 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -8.080 -23.240 34.491 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -8.431 -24.096 34.734 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -7.354 -23.097 35.098 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -15.006 -26.385 17.228 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -14.942 -27.179 17.759 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -14.353 -26.504 16.539 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.692 -26.759 34.529 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -13.020 -26.488 33.671 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -12.540 -27.700 34.441 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -13.857 -28.413 19.534 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -14.316 -28.897 20.220 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -13.602 -29.081 18.898 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -12.786 -30.170 17.797 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -12.966 -30.324 16.869 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.835 -30.062 17.841 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.548 -28.049 35.168 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -8.595 -27.965 35.140 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -9.708 -28.760 35.787 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -12.234 -29.356 30.705 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -11.483 -29.512 30.132 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -12.573 -28.504 30.429 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -11.746 -33.017 34.460 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -11.982 -33.237 35.362 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -12.529 -33.224 33.951 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -9.030 -33.890 33.536 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -9.978 -33.858 33.668 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -8.718 -34.515 34.190 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.888 -19.479 18.798 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -11.955 -19.321 18.942 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -13.152 -18.804 18.173 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -4.678 -34.344 17.100 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -4.068 -34.716 17.737 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -5.515 -34.766 17.296 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -8.519 -19.882 32.720 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.842 -20.514 32.480 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -8.197 -19.480 33.528 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -10.595 -19.822 28.770 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -11.052 -19.293 28.116 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -10.432 -19.219 29.495 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -8.268 -20.944 29.715 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -9.172 -20.779 29.449 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -7.839 -20.091 29.649 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -5.663 -19.374 30.010 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -5.845 -18.458 29.799 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -5.487 -19.784 29.163 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -13.680 -21.507 26.978 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -13.467 -22.395 26.691 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -13.615 -21.541 27.933 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.171 -35.843 26.123 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.846 -36.472 26.378 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -9.607 -36.327 25.520 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -13.265 -37.282 23.758 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -12.391 -36.894 23.728 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -13.401 -37.497 24.681 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -12.121 -35.202 20.648 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -11.943 -35.848 21.331 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -12.175 -34.368 21.115 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -7.492 -38.012 35.180 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -7.416 -38.438 36.034 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -6.599 -37.998 34.838 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -7.426 -33.739 42.585 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -6.780 -34.068 43.210 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -6.916 -33.221 41.962 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -10.045 -28.809 40.211 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -10.757 -28.274 39.860 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -9.354 -28.753 39.551 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -9.991 -30.351 37.250 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -9.290 -30.329 37.901 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -9.689 -30.979 36.594 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -6.639 -28.599 41.163 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.371 -28.371 41.736 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -6.192 -29.313 41.618 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -7.768 -29.437 38.848 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -7.189 -29.287 39.595 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -7.354 -28.966 38.125 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -2.880 -23.321 37.038 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -2.807 -22.382 37.208 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -1.975 -23.626 36.981 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -10.718 -34.528 37.148 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -10.972 -34.509 38.071 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -10.975 -35.400 36.847 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -9.419 -31.140 41.313 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -9.828 -30.325 41.021 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -8.699 -31.280 40.698 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -7.985 -33.926 37.767 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.923 -33.814 37.616 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -7.688 -33.069 38.073 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -7.267 -32.059 39.428 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -6.375 -32.196 39.747 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.210 -31.268 38.891 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -9.757 -25.281 38.593 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -10.052 -24.455 38.975 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -10.460 -25.901 38.789 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -4.086 -23.063 39.587 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -4.459 -23.889 39.897 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -3.809 -23.246 38.690 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -6.694 -25.087 37.408 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -6.341 -25.467 38.212 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -7.643 -25.180 37.494 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -2.190 -20.607 37.609 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -1.447 -20.021 37.469 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -2.885 -20.039 37.942 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -5.828 -26.414 39.634 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -6.105 -27.142 40.190 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -4.901 -26.295 39.840 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -8.597 -34.838 40.197 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.377 -34.366 39.394 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -8.039 -34.443 40.868 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -5.961 -22.295 36.227 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -5.678 -23.089 36.680 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -5.221 -22.062 35.666 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.654 -25.338 35.820 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -9.922 -25.158 36.721 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -9.860 -26.264 35.689 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -12.786 -30.170 36.653 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -12.966 -30.324 35.725 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -11.835 -30.062 36.697 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -2.937 -26.946 40.073 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -2.087 -26.525 40.201 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -2.932 -27.686 40.681 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -2.543 -28.893 41.897 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -3.269 -29.372 42.295 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -1.962 -28.687 42.629 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -4.756 -30.372 42.460 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -4.906 -31.317 42.440 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -5.110 -30.091 43.304 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.046 -32.789 40.922 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -4.766 -33.696 41.047 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -4.287 -32.355 40.533 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -4.432 -35.526 40.971 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -4.250 -35.975 41.796 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -5.032 -36.111 40.507 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -5.029 -37.736 45.091 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -4.425 -37.188 44.590 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -5.898 -37.416 44.851 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -3.302 -36.597 43.425 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -2.690 -37.111 42.898 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -2.919 -35.719 43.448 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -6.355 -37.226 39.956 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -7.058 -36.612 39.746 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -6.800 -38.064 40.087 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -7.396 -16.400 16.685 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -7.493 -17.352 16.679 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -7.718 -16.131 17.546 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -12.788 -19.189 14.712 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -12.076 -19.829 14.698 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -12.889 -18.922 13.798 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -12.435 -17.506 16.766 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -12.566 -17.982 15.945 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -13.034 -16.762 16.710 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -2.602 -16.526 15.125 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -3.519 -16.255 15.089 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -2.479 -17.061 14.341 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -3.601 -18.436 12.944 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -4.414 -18.111 12.556 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -3.368 -19.196 12.411 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -2.781 -15.908 28.589 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -2.732 -15.298 29.325 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -2.355 -15.447 27.866 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -7.426 -14.883 23.729 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -6.780 -15.212 24.354 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -6.916 -14.365 23.106 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -2.389 -14.430 30.825 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -3.078 -13.772 30.730 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -2.374 -14.627 31.762 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -5.662 -15.592 25.710 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -5.877 -16.358 26.242 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -5.006 -15.120 26.223 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -5.315 -16.877 29.389 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -6.051 -16.266 29.351 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -4.631 -16.462 28.863 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -12.312 -18.790 26.855 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -12.429 -19.739 26.801 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -13.167 -18.458 27.128 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -10.718 -15.672 18.292 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -10.972 -15.653 19.215 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -10.975 -16.544 17.991 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -12.373 -15.273 24.726 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -13.284 -15.216 25.015 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -11.868 -15.333 25.537 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -7.968 -16.038 27.990 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -8.645 -15.907 28.654 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -8.454 -16.193 27.180 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -7.985 -15.070 18.911 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -8.923 -14.958 18.760 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -7.688 -14.213 19.217 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -7.267 -13.203 20.572 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -6.375 -13.340 20.891 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -7.210 -12.412 20.035 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -2.382 -12.993 20.266 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -2.936 -13.389 19.594 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -2.281 -12.083 19.989 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -8.597 -15.982 21.341 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -8.377 -15.510 20.538 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -8.039 -15.587 22.012 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -11.397 -14.254 22.176 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -10.585 -13.750 22.222 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -11.642 -14.399 23.090 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -10.513 -17.173 23.114 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -10.860 -16.555 23.759 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -9.855 -16.672 22.633 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -4.657 -15.361 32.196 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -5.573 -15.098 32.108 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -4.321 -15.364 31.299 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -7.396 -16.400 35.541 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -7.493 -17.352 35.535 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -7.718 -16.131 36.402 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -3.926 -12.896 17.983 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -3.829 -12.229 17.303 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -4.066 -13.712 17.501 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -4.678 -15.488 17.100 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -4.068 -15.860 17.737 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -5.515 -15.910 17.296 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -5.046 -13.933 22.066 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.766 -14.840 22.191 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -4.287 -13.499 21.677 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -4.434 -13.352 27.502 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -3.501 -13.140 27.468 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -4.669 -13.250 28.425 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -4.405 -12.615 30.278 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -5.248 -12.347 30.644 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -3.962 -11.793 30.067 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -4.432 -16.670 22.115 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -4.250 -17.119 22.940 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -5.032 -17.255 21.651 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -2.602 -16.526 33.981 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -3.519 -16.255 33.945 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -2.479 -17.061 33.197 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -10.171 -16.987 26.123 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -10.846 -17.616 26.378 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -9.607 -17.471 25.520 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -3.302 -17.741 24.569 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -2.690 -18.255 24.042 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -2.919 -16.863 24.592 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -13.265 -18.426 23.758 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -12.391 -18.038 23.728 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -13.401 -18.641 24.681 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -7.708 -18.396 25.407 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -7.632 -18.301 24.458 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -7.984 -19.304 25.536 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -12.121 -16.346 20.648 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -11.943 -16.992 21.331 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -12.175 -15.512 21.115 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -7.492 -19.156 35.180 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -7.416 -19.582 36.034 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -6.599 -19.142 34.838 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -4.070 -18.831 38.661 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.969 -18.692 38.956 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -3.818 -18.000 38.259 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -4.678 -15.488 35.956 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -4.068 -15.860 36.593 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -5.515 -15.910 36.152 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -2.566 -16.603 37.499 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -2.153 -17.324 37.023 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -1.884 -15.933 37.557 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 2.315 -43.589 8.594 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 1.945 -44.391 8.225 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 3.256 -43.758 8.641 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 9.840 -39.610 6.980 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 10.460 -40.287 6.707 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 9.632 -39.828 7.888 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 3.495 -44.168 11.621 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 3.489 -43.289 11.243 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 2.641 -44.251 12.046 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 13.241 -42.875 9.116 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 12.299 -42.817 9.277 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 13.517 -41.969 8.979 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 14.338 -44.627 12.727 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 14.478 -45.218 11.988 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 14.506 -43.754 12.371 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 5.229 -43.397 8.015 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 5.134 -43.975 7.258 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 5.958 -43.768 8.511 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 10.538 -42.553 9.701 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 10.297 -41.891 10.349 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 10.340 -43.387 10.126 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 5.109 -43.657 13.684 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 4.797 -42.875 14.140 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 4.459 -43.810 12.998 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 7.872 -42.372 13.180 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 7.959 -41.546 13.655 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 7.008 -42.702 13.429 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 1.194 -44.069 12.781 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 1.411 -44.430 13.641 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 0.339 -44.443 12.571 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 1.773 -45.604 15.019 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 2.506 -45.350 15.580 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 0.993 -45.400 15.534 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 14.123 -46.463 10.642 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 14.765 -46.006 10.099 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 13.293 -46.350 10.180 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 8.493 -45.412 13.093 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 8.147 -45.793 13.899 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 8.293 -44.478 13.164 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -0.894 -47.840 12.940 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -0.671 -48.258 13.772 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -1.496 -48.453 12.518 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 10.743 -42.950 13.043 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 9.842 -42.767 12.775 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 10.777 -42.691 13.964 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 16.438 -44.905 14.247 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 15.586 -44.667 13.880 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 17.028 -44.922 13.494 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 6.415 -40.971 10.921 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 6.778 -40.116 10.688 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 6.947 -41.263 11.662 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 9.959 -44.872 10.622 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 9.533 -45.099 11.448 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 10.540 -45.610 10.439 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 0.391 -41.282 10.933 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 0.608 -42.214 10.902 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 0.638 -41.008 11.817 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 13.888 -40.066 9.058 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 13.732 -39.388 8.401 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 14.820 -39.994 9.261 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -0.491 -45.585 16.240 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -0.347 -46.487 15.954 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -1.264 -45.299 15.752 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 6.164 -45.615 15.673 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 5.836 -45.344 14.815 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 6.316 -46.556 15.585 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 11.899 -45.699 13.056 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 12.644 -45.111 12.936 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 11.142 -45.117 13.119 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 0.341 -48.385 15.660 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 0.749 -49.242 15.539 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 0.081 -48.370 16.581 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 9.308 -46.905 16.312 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 10.261 -46.821 16.284 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 9.148 -47.616 16.931 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 12.354 -47.608 14.955 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 12.073 -46.899 14.377 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 13.297 -47.681 14.804 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 16.604 -39.416 9.287 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 16.582 -39.231 10.226 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 17.294 -38.847 8.946 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 16.167 -39.849 12.209 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 15.680 -40.584 11.838 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 16.716 -40.242 12.887 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 14.618 -44.059 16.847 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 13.752 -44.164 17.241 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 14.994 -43.300 17.294 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 14.559 -42.086 11.440 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 13.911 -41.761 12.065 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 14.041 -42.526 10.765 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 14.956 -47.258 14.387 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 15.539 -47.992 14.578 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 15.520 -46.486 14.433 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 0.727 -42.397 15.402 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -0.094 -42.222 14.942 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 0.475 -42.470 16.323 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 3.681 -41.422 11.661 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 3.256 -40.613 11.378 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 4.586 -41.337 11.359 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 8.261 -38.678 9.914 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 7.804 -38.149 9.260 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 8.424 -38.075 10.639 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 10.588 -39.800 10.859 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 9.684 -39.635 10.593 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 11.017 -38.947 10.793 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 0.498 -39.543 8.619 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 0.479 -39.968 9.476 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 1.303 -39.861 8.210 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 2.639 -40.833 7.274 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 2.420 -41.749 7.443 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 3.463 -40.693 7.740 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 5.176 -40.363 8.122 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 5.389 -41.251 7.835 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 5.241 -40.397 9.077 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.391 -48.039 28.915 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 1.433 -48.665 29.639 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 2.094 -47.416 29.097 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -1.075 -49.929 22.843 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -1.523 -49.083 22.825 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -1.636 -50.509 22.328 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -0.365 -47.767 24.969 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -0.151 -48.537 25.496 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 0.373 -47.678 24.366 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 10.553 -50.827 28.056 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 10.696 -51.774 28.076 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 10.447 -50.620 27.127 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 0.328 -50.329 26.090 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 0.982 -50.879 26.522 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 0.352 -50.603 25.174 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 5.484 -48.779 25.306 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 6.100 -49.305 25.815 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 4.898 -49.419 24.902 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 2.112 -51.916 27.355 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 2.725 -51.283 27.728 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 2.624 -52.388 26.698 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 14.338 -44.627 31.583 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 14.478 -45.218 30.844 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 14.506 -43.754 31.227 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 8.811 -47.665 21.355 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 8.099 -47.130 21.004 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 9.502 -47.609 20.695 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 8.865 -49.207 18.394 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 9.566 -49.185 19.045 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 9.167 -49.835 17.738 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 16.180 -48.287 29.649 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 15.528 -47.592 29.738 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 16.645 -48.077 28.839 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 12.114 -49.281 31.375 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 12.194 -48.518 31.947 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 11.513 -49.002 30.684 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 3.862 -46.825 24.190 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 3.532 -47.195 23.371 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 4.450 -47.495 24.536 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 11.088 -48.293 19.992 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 11.667 -48.143 20.739 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 11.502 -47.822 19.269 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 2.029 -47.459 31.769 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 2.099 -46.808 32.467 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 1.138 -47.356 31.434 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 2.852 -47.755 21.779 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 2.560 -46.987 21.288 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 2.178 -48.415 21.616 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -1.055 -45.392 30.594 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -1.556 -45.420 29.779 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -1.049 -46.298 30.904 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 14.045 -50.453 33.640 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 13.638 -49.972 32.920 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 14.086 -51.358 33.333 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 11.802 -52.121 31.861 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 11.288 -52.247 32.658 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 11.647 -51.209 31.616 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 12.565 -47.260 17.622 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 12.607 -47.483 16.692 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 13.414 -46.862 17.812 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 3.904 -50.633 28.728 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 3.262 -50.674 29.437 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 3.941 -49.707 28.490 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 3.901 -50.412 23.640 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 3.008 -50.753 23.581 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 4.352 -50.789 22.884 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 9.437 -49.996 22.457 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 9.028 -49.181 22.165 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 10.157 -50.136 21.842 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 8.539 -49.821 33.945 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 7.976 -50.525 34.265 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 9.365 -49.941 34.412 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 10.441 -50.550 25.271 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 10.246 -49.945 24.556 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 10.623 -51.384 24.836 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 1.654 -50.313 30.595 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 1.616 -49.913 31.463 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 1.163 -51.130 30.685 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -0.463 -52.451 19.869 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 0.011 -51.860 19.284 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -1.181 -51.920 20.216 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 1.773 -45.604 33.875 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 2.506 -45.350 34.436 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 0.993 -45.400 34.390 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 7.803 -50.197 26.613 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 8.367 -50.744 26.066 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 7.655 -50.719 27.402 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 6.429 -51.809 29.027 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 5.594 -51.355 29.137 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 6.953 -51.533 29.779 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 6.973 -45.596 20.712 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 6.229 -46.103 20.389 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 6.839 -45.547 21.658 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 11.589 -50.915 20.572 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 12.481 -51.052 20.891 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 11.646 -50.124 20.035 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 -0.894 -47.840 31.796 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -0.671 -48.258 32.628 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 -1.496 -48.453 31.374 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 6.123 -48.323 34.009 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 5.827 -48.489 33.114 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 7.054 -48.543 33.999 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 0.228 -47.921 18.473 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 0.844 -47.294 18.852 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -0.634 -47.605 18.744 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 5.900 -45.120 23.462 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.659 -44.195 23.504 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 5.160 -45.579 23.858 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 6.253 -42.831 16.999 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 6.492 -43.579 16.451 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 5.984 -43.219 17.831 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 1.643 -46.008 19.965 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 0.957 -45.656 20.532 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 2.166 -45.245 19.719 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 7.995 -50.980 31.361 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 8.114 -50.406 32.118 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 8.650 -51.668 31.476 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 12.801 -49.322 26.292 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 12.004 -49.737 25.963 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 13.246 -50.013 26.783 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 2.259 -43.394 18.862 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 2.851 -42.695 19.138 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 2.718 -43.827 18.143 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 0.575 -50.730 17.978 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 0.530 -49.791 18.157 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 -0.313 -50.966 17.708 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -0.491 -45.585 35.096 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -0.347 -46.487 34.810 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -1.264 -45.299 34.608 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 3.850 -45.241 17.228 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 3.914 -46.035 17.759 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 4.503 -45.360 16.539 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 6.164 -45.615 34.529 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 5.836 -45.344 33.671 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 6.316 -46.556 34.441 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 9.202 -44.194 16.964 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 8.934 -44.014 17.865 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 8.996 -45.120 16.833 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 4.999 -47.269 19.534 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 4.540 -47.753 20.220 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 5.254 -47.937 18.898 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 4.288 -49.376 31.890 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 3.670 -48.701 32.171 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 4.632 -49.055 31.057 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 9.308 -46.905 35.168 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 10.261 -46.821 35.140 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 9.148 -47.616 35.787 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 15.460 -46.671 17.242 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 15.187 -47.096 16.429 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 15.500 -45.740 17.025 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 6.622 -48.212 30.705 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 7.373 -48.368 30.132 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 6.283 -47.360 30.429 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 12.354 -47.608 33.811 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 12.073 -46.899 33.233 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 13.297 -47.681 33.660 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 -0.464 -43.699 18.281 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 0.450 -43.620 18.554 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 -0.457 -44.386 17.614 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 15.919 -45.802 21.217 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 16.769 -45.381 21.345 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 15.924 -46.542 21.825 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 16.313 -47.749 23.041 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 15.587 -48.228 23.439 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 16.894 -47.543 23.773 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 16.581 -47.848 19.432 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 16.060 -47.491 18.713 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 16.548 -47.173 20.110 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 14.100 -49.228 23.604 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 13.950 -50.173 23.584 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 13.746 -48.947 24.448 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 -0.865 -47.150 27.614 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 -0.681 -47.232 26.679 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 -0.016 -47.274 28.038 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 14.956 -47.258 33.243 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 15.539 -47.992 33.434 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 15.520 -46.486 33.289 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 16.453 -49.355 33.927 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 15.590 -49.734 33.762 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 17.057 -50.094 33.853 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 14.422 -51.064 27.502 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 15.355 -50.852 27.468 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 14.187 -50.962 28.425 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 14.451 -50.327 30.278 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 13.608 -50.059 30.644 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 14.894 -49.505 30.067 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 0.727 -42.397 34.258 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 -0.094 -42.222 33.798 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 0.475 -42.470 35.179 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 10.090 -46.909 42.759 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 10.179 -45.965 42.627 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 9.451 -47.184 42.101 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 12.729 -44.715 44.480 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 12.288 -45.435 44.930 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 12.716 -43.994 45.110 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 2.315 -43.589 46.306 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 1.945 -44.391 45.937 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 3.256 -43.758 46.353 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -0.365 -47.767 43.825 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -0.151 -48.537 44.352 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 0.373 -47.678 43.222 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 7.412 -45.221 46.584 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 7.716 -45.907 45.990 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 8.134 -45.103 47.202 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 13.241 -42.875 46.828 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 12.299 -42.817 46.989 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 13.517 -41.969 46.691 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 8.811 -47.665 40.211 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 8.099 -47.130 39.860 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 9.502 -47.609 39.551 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 12.217 -47.455 41.163 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 11.485 -47.227 41.736 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 12.664 -48.169 41.618 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 3.862 -46.825 43.046 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 3.532 -47.195 42.227 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 4.450 -47.495 43.392 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 5.229 -43.397 45.727 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 5.134 -43.975 44.970 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 5.958 -43.768 46.223 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 10.538 -42.553 47.413 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 10.297 -41.891 48.061 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 10.340 -43.387 47.838 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 11.088 -48.293 38.848 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 11.667 -48.143 39.595 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 11.502 -47.822 38.125 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 2.852 -47.755 40.635 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 2.560 -46.987 40.144 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 2.178 -48.415 40.472 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 -1.304 -42.612 46.334 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 -0.358 -42.756 46.315 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 -1.417 -41.828 46.871 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 12.565 -47.260 36.478 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 12.607 -47.483 35.548 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 13.414 -46.862 36.668 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 6.973 -45.596 39.568 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 6.229 -46.103 39.245 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 6.839 -45.547 40.514 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 2.098 -46.301 45.337 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 2.843 -46.303 44.736 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 2.176 -47.125 45.819 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 16.474 -50.705 39.122 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 15.920 -51.101 38.450 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 16.575 -49.795 38.845 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 4.473 -42.783 42.742 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 5.000 -42.010 42.541 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 3.593 -42.558 42.440 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 0.228 -47.921 37.329 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 0.844 -47.294 37.708 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 -0.634 -47.605 37.600 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 5.900 -45.120 42.318 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 5.659 -44.195 42.360 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 5.160 -45.579 42.714 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 6.415 -40.971 48.633 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 6.778 -40.116 48.400 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 6.947 -41.263 49.374 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 12.162 -43.943 37.408 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 12.515 -44.323 38.212 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 11.213 -44.036 37.494 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 13.028 -45.270 39.634 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 12.751 -45.998 40.190 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 13.955 -45.151 39.840 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 6.253 -42.831 35.855 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 6.492 -43.579 35.307 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 5.984 -43.219 36.687 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 5.190 -43.261 38.311 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 5.337 -43.781 39.101 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 5.187 -42.354 38.617 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 1.643 -46.008 38.821 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 0.957 -45.656 39.388 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 2.166 -45.245 38.575 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 13.888 -40.066 46.770 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 13.732 -39.388 46.113 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 14.820 -39.994 46.973 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 3.850 -45.241 36.084 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 3.914 -46.035 36.615 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 4.503 -45.360 35.395 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 4.999 -47.269 38.390 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 4.540 -47.753 39.076 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 5.254 -47.937 37.754 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 -0.945 -40.225 44.019 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 -1.279 -41.106 44.191 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 -0.723 -39.880 44.883 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 16.604 -39.416 46.999 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 16.582 -39.231 47.938 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 17.294 -38.847 46.658 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 15.919 -45.802 40.073 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 16.769 -45.381 40.201 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 15.924 -46.542 40.681 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 16.313 -47.749 41.897 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 15.587 -48.228 42.295 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 16.894 -47.543 42.629 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 16.072 -44.964 46.845 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 16.906 -45.342 46.564 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 16.184 -44.021 46.726 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 14.559 -42.086 49.152 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 13.911 -41.761 49.777 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 14.041 -42.526 48.477 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 16.581 -47.848 38.288 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 16.060 -47.491 37.569 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 16.548 -47.173 38.966 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 14.930 -50.608 36.839 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 15.027 -49.941 36.159 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 14.790 -51.424 36.357 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 3.681 -41.422 49.373 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 3.256 -40.613 49.090 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 4.586 -41.337 49.071 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 1.083 -38.166 49.420 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 0.363 -37.726 48.969 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 0.717 -38.417 50.269 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 3.550 -38.566 48.450 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 2.685 -38.494 48.854 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 3.495 -38.019 47.666 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 8.261 -38.678 47.626 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 7.804 -38.149 46.972 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 8.424 -38.075 48.351 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 10.588 -39.800 48.571 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 9.684 -39.635 48.305 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 11.017 -38.947 48.505 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 13.193 -38.230 48.866 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 13.011 -37.314 48.655 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 13.369 -38.640 48.019 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 0.498 -39.543 46.331 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 0.479 -39.968 47.188 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 1.303 -39.861 45.922 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 2.639 -40.833 44.986 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 2.420 -41.749 45.155 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 3.463 -40.693 45.452 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 10.090 -28.053 5.047 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 10.179 -27.109 4.915 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 9.451 -28.328 4.389 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 9.023 -28.798 8.466 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 8.985 -29.444 9.171 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 8.700 -29.264 7.695 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 12.729 -25.859 6.768 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 12.288 -26.579 7.218 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 12.716 -25.138 7.398 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 2.315 -24.733 8.594 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 1.945 -25.535 8.225 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.256 -24.902 8.641 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 -0.365 -28.911 6.113 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 -0.151 -29.681 6.640 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 0.373 -28.822 5.510 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 7.412 -26.365 8.872 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 7.716 -27.051 8.278 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 8.134 -26.247 9.490 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 16.075 -34.764 9.733 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 16.124 -34.154 10.469 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 16.501 -34.303 9.010 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 10.553 -31.971 9.200 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 10.696 -32.918 9.220 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 10.447 -31.764 8.271 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 3.708 -33.870 6.472 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 3.751 -33.010 6.054 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 3.250 -34.422 5.839 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 0.328 -31.473 7.234 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 0.982 -32.023 7.666 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 0.352 -31.747 6.318 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 5.484 -29.923 6.450 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 6.100 -30.449 6.959 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 4.898 -30.563 6.046 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 9.887 -25.452 4.090 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 9.591 -25.774 3.239 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 9.563 -24.552 4.132 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 13.194 -34.448 6.854 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 12.979 -35.214 7.386 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 13.850 -33.976 7.367 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 2.112 -33.060 8.499 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 2.725 -32.427 8.872 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 2.624 -33.532 7.842 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 6.544 -37.646 7.999 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 6.427 -38.595 7.945 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 5.689 -37.314 8.272 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 11.493 -22.238 5.741 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 11.918 -22.945 5.256 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 11.810 -21.437 5.324 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 12.652 -24.337 4.250 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 12.395 -25.027 3.638 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 12.723 -24.780 5.095 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 16.180 -29.431 10.793 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 15.528 -28.736 10.882 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 16.645 -29.221 9.983 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 3.862 -27.969 5.334 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 3.532 -28.339 4.515 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 4.450 -28.639 5.680 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 5.229 -24.541 8.015 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 5.134 -25.119 7.258 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 5.958 -24.912 8.511 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 8.814 -22.700 4.571 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 9.288 -22.405 5.349 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 8.251 -21.962 4.338 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 -1.304 -23.756 8.622 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 -0.358 -23.900 8.603 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 -1.417 -22.972 9.159 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 8.286 -19.744 2.986 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 8.211 -19.865 2.040 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 8.319 -18.794 3.105 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 1.940 -20.955 4.767 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 2.092 -21.303 5.646 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 1.089 -21.311 4.512 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 11.057 -20.664 2.738 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 10.122 -20.564 2.917 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 11.337 -21.373 3.316 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 3.813 -36.743 8.777 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 2.952 -36.830 8.369 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 3.791 -35.887 9.204 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 8.476 -37.021 12.151 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 8.896 -37.436 12.904 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 7.543 -37.199 12.268 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 3.901 -31.556 4.784 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 3.008 -31.897 4.725 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 4.352 -31.933 4.028 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 9.705 -30.056 11.086 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 10.029 -30.687 10.443 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 9.265 -30.591 11.747 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 6.483 -34.129 5.870 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 5.572 -34.072 6.159 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 6.988 -34.189 6.681 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 1.311 -32.500 4.697 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 0.422 -32.400 4.357 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 1.607 -33.342 4.351 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 10.888 -34.894 9.134 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 10.211 -34.763 9.798 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 10.402 -35.049 8.324 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 7.803 -31.341 7.757 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 8.367 -31.888 7.210 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 7.655 -31.863 8.546 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 6.429 -32.953 10.171 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 5.594 -32.499 10.281 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 6.953 -32.677 10.923 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 14.123 -27.607 10.642 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 14.765 -27.150 10.099 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 13.293 -27.494 10.180 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 2.098 -27.445 7.625 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 2.843 -27.447 7.024 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 2.176 -28.269 8.107 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 14.770 -23.063 1.875 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 14.397 -23.889 2.185 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 15.047 -23.246 0.978 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.930 -28.255 8.897 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.002 -28.487 8.870 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 12.381 -29.032 8.567 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 4.473 -23.927 5.030 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 5.000 -23.154 4.829 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 3.593 -23.702 4.728 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 4.584 -21.242 4.151 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 3.634 -21.137 4.203 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 4.935 -20.422 4.496 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 0.391 -22.426 10.933 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 0.608 -23.358 10.902 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 0.638 -22.152 11.817 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 9.475 -34.490 11.388 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 10.173 -34.416 12.038 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 9.094 -35.354 11.543 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 7.928 -22.707 1.348 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 7.111 -22.210 1.401 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 8.457 -22.232 0.708 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 5.266 -21.664 1.330 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 5.427 -20.864 0.829 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 5.069 -21.357 2.215 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 12.801 -30.466 7.436 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 12.004 -30.881 7.107 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 13.246 -31.157 7.927 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 1.383 -37.092 7.795 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 1.154 -37.033 6.868 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 0.940 -37.884 8.102 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 -0.398 -20.539 15.286 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 0.142 -20.756 16.045 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 -0.879 -21.345 15.096 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 -0.865 -28.294 8.758 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 -0.681 -28.376 7.823 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 -0.016 -28.418 9.182 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 14.422 -32.208 8.646 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 15.355 -31.996 8.612 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 14.187 -32.106 9.569 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -0.046 -34.711 7.790 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 0.399 -35.503 8.092 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 0.420 -33.995 8.221 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 -1.742 -31.712 8.859 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 -1.250 -31.933 8.069 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 -1.380 -30.871 9.140 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 -1.465 -36.716 11.258 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 -2.130 -36.962 11.901 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 -1.908 -36.094 10.681 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 1.083 -19.310 11.708 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 0.363 -18.870 11.257 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 0.717 -19.561 12.557 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 3.550 -19.710 10.738 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 2.685 -19.638 11.142 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 3.495 -19.163 9.954 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 0.498 -20.687 8.619 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 0.479 -21.112 9.476 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 1.303 -21.005 8.210 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 2.639 -21.977 7.274 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 2.420 -22.893 7.443 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 3.463 -21.837 7.740 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 8.685 -35.843 7.267 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 8.010 -36.472 7.522 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 9.249 -36.327 6.664 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 13.827 -37.736 7.379 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 14.431 -37.188 6.878 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 12.958 -37.416 7.139 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 11.148 -37.252 6.551 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 11.224 -37.157 5.602 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 10.872 -38.160 6.680 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 8.613 -20.253 0.187 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 9.479 -19.887 0.009 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 8.366 -20.693 -0.626 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 15.322 -20.690 2.867 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 15.128 -21.438 2.302 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 15.283 -19.932 2.283 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.618 -25.203 35.703 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 13.752 -25.308 36.097 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 14.994 -24.444 36.150 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 9.023 -28.798 46.178 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 8.985 -29.444 46.883 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 8.700 -29.264 45.407 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 -1.075 -31.073 41.699 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 -1.523 -30.227 41.681 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 -1.636 -31.653 41.184 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 -0.365 -28.911 43.825 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 -0.151 -29.681 44.352 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 0.373 -28.822 43.222 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 7.412 -26.365 46.584 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 7.716 -27.051 45.990 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 8.134 -26.247 47.202 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 16.075 -34.764 47.445 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 16.124 -34.154 48.181 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 16.501 -34.303 46.722 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 10.553 -31.971 46.912 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 10.696 -32.918 46.932 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 10.447 -31.764 45.983 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 3.708 -33.870 44.184 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 3.751 -33.010 43.766 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.250 -34.422 43.551 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 0.328 -31.473 44.946 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 0.982 -32.023 45.378 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 0.352 -31.747 44.030 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 5.484 -29.923 44.162 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 6.100 -30.449 44.671 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 4.898 -30.563 43.758 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 16.467 -33.286 49.681 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 15.778 -32.628 49.586 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 16.482 -33.483 50.618 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 2.518 -34.952 48.258 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 2.299 -34.422 47.492 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 1.850 -34.725 48.906 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 9.887 -25.452 41.802 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 9.591 -25.774 40.951 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 9.563 -24.552 41.844 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 2.112 -33.060 46.211 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 2.725 -32.427 46.584 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 2.624 -33.532 45.554 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 -0.384 -25.641 40.115 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 -0.656 -25.412 39.226 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 -0.339 -24.803 40.575 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 13.241 -24.019 46.828 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 12.299 -23.961 46.989 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 13.517 -23.113 46.691 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 13.541 -35.733 48.245 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 12.805 -35.122 48.207 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 14.225 -35.318 47.719 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 11.493 -22.238 43.453 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 11.918 -22.945 42.968 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 11.810 -21.437 43.036 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 12.652 -24.337 41.962 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 12.395 -25.027 41.350 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 12.723 -24.780 42.807 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 14.338 -25.771 50.439 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 14.478 -26.362 49.700 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 14.506 -24.898 50.083 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 12.114 -30.425 50.231 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 12.194 -29.662 50.803 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 11.513 -30.146 49.540 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 3.862 -27.969 43.046 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 3.532 -28.339 42.227 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 4.450 -28.639 43.392 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 10.538 -23.697 47.413 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 10.297 -23.035 48.061 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 10.340 -24.531 47.838 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 8.814 -22.700 42.283 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 9.288 -22.405 43.061 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 8.251 -21.962 42.050 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 2.852 -28.899 40.635 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 2.560 -28.131 40.144 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 2.178 -29.559 40.472 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.976 -23.321 37.038 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 16.049 -22.382 37.208 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 16.881 -23.626 36.981 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 8.286 -19.744 40.698 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 8.211 -19.865 39.752 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 8.319 -18.794 40.817 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 11.388 -20.590 37.701 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 11.763 -21.334 37.230 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 11.392 -20.860 38.619 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 11.057 -20.664 40.450 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 10.122 -20.564 40.629 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 11.337 -21.373 41.028 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 14.045 -31.597 52.496 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 13.638 -31.116 51.776 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 14.086 -32.502 52.189 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 3.813 -36.743 46.489 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 2.952 -36.830 46.081 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 3.791 -35.887 46.916 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 8.476 -37.021 49.863 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 8.896 -37.436 50.616 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 7.543 -37.199 49.980 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 11.802 -33.265 50.717 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 11.288 -33.391 51.514 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 11.647 -32.353 50.472 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 3.904 -31.777 47.584 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 3.262 -31.818 48.293 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 3.941 -30.851 47.346 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 3.901 -31.556 42.496 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 3.008 -31.897 42.437 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 4.352 -31.933 41.740 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 -1.738 -34.341 43.301 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 -1.107 -34.370 44.021 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 -1.288 -34.766 42.571 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 9.705 -30.056 48.798 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 10.029 -30.687 48.155 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 9.265 -30.591 49.459 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 1.311 -32.500 42.409 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 0.422 -32.400 42.069 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 1.607 -33.342 42.063 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 10.888 -34.894 46.846 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 10.211 -34.763 47.510 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 10.402 -35.049 46.036 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 7.803 -31.341 45.469 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 8.367 -31.888 44.922 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 7.655 -31.863 46.258 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 6.429 -32.953 47.883 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 5.594 -32.499 47.993 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 6.953 -32.677 48.635 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 10.743 -24.094 50.755 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 9.842 -23.911 50.487 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 10.777 -23.835 51.676 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 16.438 -26.049 51.959 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 15.586 -25.811 51.592 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 17.028 -26.066 51.206 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 14.770 -23.063 39.587 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 14.397 -23.889 39.897 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 15.047 -23.246 38.690 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 4.473 -23.927 42.742 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 5.000 -23.154 42.541 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 3.593 -23.702 42.440 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 5.900 -26.264 42.318 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 5.659 -25.339 42.360 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 5.160 -26.723 42.714 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 9.959 -26.016 48.334 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 9.533 -26.243 49.160 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 10.540 -26.754 48.151 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 16.666 -20.607 37.609 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 17.409 -20.021 37.469 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 15.971 -20.039 37.942 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 5.190 -24.405 38.311 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 5.337 -24.925 39.101 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 5.187 -23.498 38.617 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 9.475 -34.490 49.100 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 10.173 -34.416 49.750 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 9.094 -35.354 49.255 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 5.266 -21.664 39.042 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 5.427 -20.864 38.541 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 5.069 -21.357 39.927 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 14.199 -34.217 51.052 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 13.283 -33.954 50.964 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 14.535 -34.220 50.155 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 2.259 -24.538 37.718 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 2.851 -23.839 37.994 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 2.718 -24.971 36.999 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.888 -21.210 46.770 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 13.732 -20.532 46.113 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 14.820 -21.138 46.973 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 1.383 -37.092 45.507 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 1.154 -37.033 44.580 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 0.940 -37.884 45.814 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 0.313 -23.152 41.668 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 -0.519 -22.679 41.695 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 0.859 -22.642 41.069 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 11.899 -26.843 50.768 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 12.644 -26.255 50.648 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 11.142 -26.261 50.831 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 5.040 -34.795 49.321 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 5.576 -34.344 48.669 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 4.188 -34.903 48.899 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 12.354 -28.752 52.667 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 12.073 -28.043 52.089 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 13.297 -28.825 52.516 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 5.846 -37.339 49.753 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 5.748 -36.392 49.647 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 5.103 -37.711 49.277 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 5.968 -19.479 37.654 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 6.901 -19.321 37.798 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 5.704 -18.804 37.029 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 -0.464 -24.843 37.137 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 0.450 -24.764 37.410 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 -0.457 -25.530 36.470 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 14.559 -23.230 49.152 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 13.911 -22.905 49.777 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 14.041 -23.670 48.477 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 14.956 -28.402 52.099 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 15.539 -29.136 52.290 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 15.520 -27.630 52.145 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 16.453 -30.499 52.783 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 15.590 -30.878 52.618 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 17.057 -31.238 52.709 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 -0.046 -34.711 45.502 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 0.399 -35.503 45.804 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 0.420 -33.995 45.933 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 16.254 -35.382 52.837 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 15.337 -35.111 52.801 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 16.377 -35.917 52.053 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 13.342 -20.470 42.571 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 13.995 -20.817 41.963 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 13.853 -19.981 43.217 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 15.255 -37.292 50.656 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 14.442 -36.967 50.268 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 15.488 -38.052 50.123 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 11.148 -37.252 44.263 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 11.224 -37.157 43.314 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 10.872 -38.160 44.392 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 -0.251 -21.463 39.502 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 -0.936 -21.501 38.834 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 -0.248 -20.550 39.790 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 8.613 -20.253 37.899 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 9.479 -19.887 37.721 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 8.366 -20.693 37.086 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 15.322 -20.690 40.579 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 15.128 -21.438 40.014 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 15.283 -19.932 39.995 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 1.567 -20.543 36.527 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 1.299 -20.256 37.400 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 2.338 -21.089 36.679 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 10.090 -9.197 -13.809 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 10.179 -8.253 -13.941 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 9.451 -9.472 -14.467 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 9.023 -9.942 -10.390 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 8.985 -10.588 -9.685 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 8.700 -10.408 -11.161 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 12.729 -7.003 -12.088 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 12.288 -7.723 -11.638 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 12.716 -6.282 -11.458 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 7.412 -7.509 -9.984 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 7.716 -8.195 -10.578 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 8.134 -7.391 -9.366 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 16.075 -15.908 -9.123 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 16.124 -15.298 -8.387 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 16.501 -15.447 -9.846 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 10.553 -13.115 -9.656 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 10.696 -14.062 -9.636 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 10.447 -12.908 -10.585 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 16.467 -14.430 -6.887 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 15.778 -13.772 -6.982 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 16.482 -14.627 -5.950 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 13.194 -15.592 -12.002 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 12.979 -16.358 -11.470 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 13.850 -15.120 -11.489 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 11.493 -3.382 -13.115 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 11.918 -4.089 -13.600 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 11.810 -2.581 -13.532 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 12.652 -5.481 -14.606 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 12.395 -6.171 -15.218 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 12.723 -5.924 -13.761 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 12.217 -9.743 -15.405 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 11.485 -9.515 -14.832 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 12.664 -10.457 -14.950 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 10.538 -4.841 -9.155 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 10.297 -4.179 -8.507 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 10.340 -5.675 -8.730 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 7.872 -4.660 -5.676 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 7.959 -3.834 -5.201 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 7.008 -4.990 -5.427 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 14.045 -12.741 -4.072 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 13.638 -12.260 -4.792 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 14.086 -13.646 -4.379 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 11.802 -14.409 -5.851 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 11.288 -14.535 -5.054 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 11.647 -13.497 -6.096 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.539 -12.109 -3.767 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 7.976 -12.813 -3.447 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 9.365 -12.229 -3.300 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 10.441 -12.838 -12.441 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 10.246 -12.233 -13.156 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 10.623 -13.672 -12.876 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 9.705 -11.200 -7.770 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 10.029 -11.831 -8.413 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 9.265 -11.735 -7.109 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 14.175 -0.366 -3.445 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.375 0.058 -4.280 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 14.831 -0.023 -2.838 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 8.493 -7.700 -5.763 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 8.147 -8.081 -4.957 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 8.293 -6.766 -5.692 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 9.959 -7.160 -8.234 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 9.533 -7.387 -7.408 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.540 -7.898 -8.417 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 12.618 -2.608 -5.765 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 12.016 -3.163 -6.260 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 12.899 -1.941 -6.391 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 14.199 -15.361 -5.516 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 13.283 -15.098 -5.604 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 14.535 -15.364 -6.413 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 12.801 -11.610 -11.420 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 12.004 -12.025 -11.749 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 13.246 -12.301 -10.929 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 13.888 -2.354 -9.798 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 13.732 -1.676 -10.455 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 14.820 -2.282 -9.595 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 10.776 -4.384 -3.221 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 10.425 -5.240 -2.978 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 11.502 -4.241 -2.614 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 9.308 -9.193 -2.544 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 10.261 -9.109 -2.572 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 9.148 -9.904 -1.925 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.038 -12.685 -1.979 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 11.230 -13.616 -2.090 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 11.895 -12.260 -1.989 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 16.604 -1.704 -9.569 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 16.582 -1.519 -8.630 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 17.294 -1.135 -9.910 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 16.167 -2.137 -6.647 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 15.680 -2.872 -7.018 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 16.716 -2.530 -5.969 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 15.919 -8.090 -16.495 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 16.769 -7.669 -16.367 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 15.924 -8.830 -15.887 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 16.313 -10.037 -14.671 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 15.587 -10.516 -14.273 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 16.894 -9.831 -13.939 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 14.100 -11.516 -14.108 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 13.950 -12.461 -14.128 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 13.746 -11.235 -13.264 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 16.453 -11.643 -3.785 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 15.590 -12.022 -3.950 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 17.057 -12.382 -3.859 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 14.422 -13.352 -10.210 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 15.355 -13.140 -10.244 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 14.187 -13.250 -9.287 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 7.992 -2.311 -4.236 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 8.177 -2.645 -3.358 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 8.839 -2.002 -4.558 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.337 -1.026 -4.992 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.014 -1.658 -5.232 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 10.659 -0.624 -4.184 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 10.588 -2.088 -7.997 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 9.684 -1.923 -8.263 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 11.017 -1.235 -8.063 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 13.193 -0.518 -7.702 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 13.011 0.398 -7.913 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 13.369 -0.928 -8.549 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 9.023 -9.942 8.466 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 8.985 -10.588 9.171 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 8.700 -10.408 7.695 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 9.840 -1.898 6.980 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 10.460 -2.575 6.707 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 9.632 -2.116 7.888 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 7.412 -7.509 8.872 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 7.716 -8.195 8.278 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 8.134 -7.391 9.490 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 3.708 -15.014 6.472 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 3.751 -14.154 6.054 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 3.250 -15.566 5.839 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 11.430 -14.883 4.873 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 12.076 -15.212 5.498 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 11.940 -14.365 4.250 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 2.518 -16.096 10.546 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 2.299 -15.566 9.780 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 1.850 -15.869 11.194 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 2.112 -14.204 8.499 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 2.725 -13.571 8.872 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 2.624 -14.676 7.842 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 8.811 -9.953 2.499 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 8.099 -9.418 2.148 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 9.502 -9.897 1.839 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.865 -11.495 -0.462 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 9.566 -11.473 0.189 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.167 -12.123 -1.118 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 10.538 -4.841 9.701 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 10.297 -4.179 10.349 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 10.340 -5.675 10.126 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 8.814 -3.844 4.571 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 9.288 -3.549 5.349 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 8.251 -3.106 4.338 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 14.786 -18.831 0.949 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 13.887 -18.692 1.244 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 15.038 -18.000 0.547 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 16.893 -4.234 14.304 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 16.844 -5.189 14.267 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 16.067 -3.966 14.706 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 8.286 -0.888 2.986 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 8.211 -1.009 2.040 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.319 0.062 3.105 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 11.388 -1.734 -0.011 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 11.763 -2.478 -0.482 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 11.392 -2.004 0.907 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 11.057 -1.808 2.738 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 10.122 -1.708 2.917 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 11.337 -2.517 3.316 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 14.045 -12.741 14.784 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 13.638 -12.260 14.064 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 14.086 -13.646 14.477 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 12.565 -9.548 -1.234 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 12.607 -9.771 -2.164 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 13.414 -9.150 -1.044 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 3.904 -12.921 9.872 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 3.262 -12.962 10.581 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 3.941 -11.995 9.634 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 3.901 -12.700 4.784 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 3.008 -13.041 4.725 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 4.352 -13.077 4.028 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 9.437 -12.284 3.601 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 9.028 -11.469 3.309 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 10.157 -12.424 2.986 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 8.539 -12.109 15.089 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 7.976 -12.813 15.409 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 9.365 -12.229 15.556 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 10.441 -12.838 6.415 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 10.246 -12.233 5.700 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 10.623 -13.672 5.980 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 6.483 -15.273 5.870 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 5.572 -15.216 6.159 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.988 -15.333 6.681 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 4.964 -13.644 2.353 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 5.896 -13.515 2.531 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 4.749 -12.974 1.704 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 7.803 -12.485 7.757 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 8.367 -13.032 7.210 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 7.655 -13.007 8.546 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 2.805 -16.349 4.175 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 2.488 -17.251 4.140 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 3.586 -16.347 3.623 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 6.429 -14.097 10.171 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 5.594 -13.643 10.281 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 6.953 -13.821 10.923 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 6.973 -7.884 1.856 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 6.229 -8.391 1.533 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 6.839 -7.835 2.802 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 10.871 -15.070 0.055 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 9.933 -14.958 -0.096 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 11.168 -14.213 0.361 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 8.493 -7.700 13.093 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 8.147 -8.081 13.899 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 8.293 -6.766 13.164 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 11.589 -13.203 1.716 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 12.481 -13.340 2.035 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.646 -12.412 1.179 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 9.099 -6.425 0.881 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 8.804 -5.599 1.263 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 8.396 -7.045 1.077 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 10.743 -5.238 13.043 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.842 -5.055 12.775 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 10.777 -4.979 13.964 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 5.900 -7.408 4.606 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 5.659 -6.483 4.648 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 5.160 -7.867 5.002 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 9.959 -7.160 10.622 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 9.533 -7.387 11.448 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 10.540 -7.898 10.439 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 12.162 -6.231 -0.304 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 12.515 -6.611 0.500 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 11.213 -6.324 -0.218 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 12.618 -2.608 13.091 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 12.016 -3.163 12.596 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 12.899 -1.941 12.465 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 9.475 -15.634 11.388 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 10.173 -15.560 12.038 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 9.094 -16.498 11.543 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 10.259 -15.982 2.485 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 10.479 -15.510 1.682 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 10.817 -15.587 3.156 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 7.928 -3.851 1.348 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 7.111 -3.354 1.401 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.457 -3.376 0.708 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 7.459 -14.254 3.320 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 8.271 -13.750 3.366 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 7.214 -14.399 4.234 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 7.995 -13.268 12.505 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 8.114 -12.694 13.262 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 8.650 -13.956 12.620 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 13.888 -2.354 9.058 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 13.732 -1.676 8.401 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 14.820 -2.282 9.261 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 1.383 -18.236 7.795 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 1.154 -18.177 6.868 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 0.940 -19.028 8.102 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 10.776 -4.384 15.635 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 10.425 -5.240 15.878 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 11.502 -4.241 16.242 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 12.895 -3.439 -1.485 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 13.178 -4.233 -1.032 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 13.635 -3.206 -2.046 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 9.202 -6.482 -1.892 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 8.934 -6.302 -0.991 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 8.996 -7.408 -2.023 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 9.308 -9.193 16.312 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 10.261 -9.109 16.284 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 9.148 -9.904 16.931 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 4.628 -14.309 14.117 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 4.778 -15.038 13.514 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 4.630 -13.532 13.558 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 5.040 -15.939 11.609 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 5.576 -15.488 10.957 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 4.188 -16.047 11.187 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 6.622 -10.500 11.849 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 7.373 -10.656 11.276 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 6.283 -9.648 11.573 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 11.038 -12.685 16.877 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 11.230 -13.616 16.766 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 11.895 -12.260 16.867 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 12.354 -9.896 14.955 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 12.073 -9.187 14.377 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 13.297 -9.969 14.804 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 5.846 -18.483 12.041 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 5.748 -17.536 11.935 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 5.103 -18.855 11.565 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 7.110 -14.161 15.604 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 6.874 -14.381 16.506 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 6.327 -14.368 15.095 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 9.826 -15.034 14.680 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 8.878 -15.002 14.812 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 10.138 -15.659 15.334 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 16.604 -1.704 9.287 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 16.582 -1.519 10.226 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 17.294 -1.135 8.946 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 16.167 -2.137 12.209 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 15.680 -2.872 11.838 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 16.716 -2.530 12.887 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 14.618 -6.347 16.847 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 13.752 -6.452 17.241 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 14.994 -5.588 17.294 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 14.930 -12.896 -0.873 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 15.027 -12.229 -1.553 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 14.790 -13.712 -1.355 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 14.178 -15.488 -1.756 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 14.788 -15.860 -1.119 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 13.341 -15.910 -1.560 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 13.810 -13.933 3.210 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 14.090 -14.840 3.335 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 14.569 -13.499 2.821 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 14.424 -16.670 3.259 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 14.606 -17.119 4.084 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 13.824 -17.255 2.795 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 -0.046 -15.855 7.790 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 0.399 -16.647 8.092 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 0.420 -15.139 8.221 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 16.290 -16.603 -0.213 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 16.703 -17.324 -0.689 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 16.972 -15.933 -0.155 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 10.588 -2.088 10.859 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 9.684 -1.923 10.593 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 11.017 -1.235 10.793 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 13.193 -0.518 11.154 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 13.011 0.398 10.943 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 13.369 -0.928 10.307 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 1.011 -18.353 5.089 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 0.234 -18.587 4.581 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 1.542 -19.150 5.097 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 12.501 -18.370 2.244 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 11.798 -17.756 2.034 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 12.056 -19.208 2.375 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 6.735 -16.346 1.792 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 6.913 -16.992 2.475 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.681 -15.512 2.259 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 0.969 -17.839 14.606 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 0.603 -18.604 15.049 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 1.882 -17.810 14.893 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.942 -18.488 16.142 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 3.841 -18.762 15.957 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.556 -19.231 16.606 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 14.540 -3.083 15.017 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 13.758 -3.269 14.497 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 14.468 -2.154 15.234 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 10.090 -9.197 23.903 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 10.179 -8.253 23.771 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 9.451 -9.472 23.245 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 9.023 -9.942 27.322 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 8.985 -10.588 28.027 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 8.700 -10.408 26.551 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 1.391 -10.327 28.915 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 1.433 -10.953 29.639 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 2.094 -9.704 29.097 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.729 -7.003 25.624 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 12.288 -7.723 26.074 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 12.716 -6.282 26.254 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 -1.075 -12.217 22.843 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 -1.523 -11.371 22.825 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 -1.636 -12.797 22.328 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 -0.365 -10.055 24.969 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 -0.151 -10.825 25.496 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 0.373 -9.966 24.366 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 0.328 -12.617 26.090 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 0.982 -13.167 26.522 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 0.352 -12.891 25.174 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 5.484 -11.067 25.306 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 6.100 -11.593 25.815 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 4.898 -11.707 24.902 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 14.338 -6.915 31.583 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 14.478 -7.506 30.844 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 14.506 -6.042 31.227 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 8.811 -9.953 21.355 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 8.099 -9.418 21.004 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 9.502 -9.897 20.695 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 8.865 -11.495 18.394 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 9.566 -11.473 19.045 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 9.167 -12.123 17.738 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 12.217 -9.743 22.307 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 11.485 -9.515 22.880 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 12.664 -10.457 22.762 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 3.862 -9.113 24.190 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 3.532 -9.483 23.371 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 4.450 -9.783 24.536 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 4.229 -10.344 27.823 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 4.794 -10.223 27.060 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 4.548 -9.707 28.462 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 11.088 -10.581 19.992 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 11.667 -10.431 20.739 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 11.502 -10.110 19.269 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 2.852 -10.043 21.779 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 2.560 -9.275 21.288 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 2.178 -10.703 21.616 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 15.976 -4.465 18.182 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.049 -3.526 18.352 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 16.881 -4.770 18.125 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 16.893 -4.234 33.160 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 16.844 -5.189 33.123 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 16.067 -3.966 33.562 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 14.045 -12.741 33.640 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 13.638 -12.260 32.920 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 14.086 -13.646 33.333 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 12.565 -9.548 17.622 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 12.607 -9.771 16.692 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 13.414 -9.150 17.812 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 3.904 -12.921 28.728 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 3.262 -12.962 29.437 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 3.941 -11.995 28.490 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 8.539 -12.109 33.945 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 7.976 -12.813 34.265 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.365 -12.229 34.412 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 1.654 -12.601 30.595 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 1.616 -12.201 31.463 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 1.163 -13.418 30.685 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 5.020 -15.227 17.393 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.589 -15.672 18.123 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 4.302 -14.855 16.881 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 -1.738 -15.485 24.445 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 -1.107 -15.514 25.165 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 -1.288 -15.910 23.715 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 -0.463 -14.739 19.869 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 0.011 -14.148 19.284 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 -1.181 -14.208 20.216 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 9.705 -11.200 29.942 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 10.029 -11.831 29.299 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 9.265 -11.735 30.603 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 3.638 -12.449 18.776 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 3.096 -12.829 18.085 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 4.472 -12.255 18.347 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 6.973 -7.884 20.712 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 6.229 -8.391 20.389 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 6.839 -7.835 21.658 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 14.123 -8.751 29.498 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 14.765 -8.294 28.955 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 13.293 -8.638 29.036 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 2.098 -8.589 26.481 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 2.843 -8.591 25.880 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 2.176 -9.413 26.963 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 16.438 -7.193 33.103 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 15.586 -6.955 32.736 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 17.028 -7.210 32.350 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 11.930 -9.399 27.753 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 11.002 -9.631 27.726 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 12.381 -10.176 27.423 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 9.959 -7.160 29.478 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 9.533 -7.387 30.304 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 10.540 -7.898 29.295 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 12.162 -6.231 18.552 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 12.515 -6.611 19.356 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 11.213 -6.324 18.638 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 13.028 -7.558 20.778 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 12.751 -8.286 21.334 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 13.955 -7.439 20.984 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 7.995 -13.268 31.361 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 8.114 -12.694 32.118 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 8.650 -13.956 31.476 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 4.000 -16.110 19.802 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 3.917 -15.221 20.148 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 4.890 -16.375 20.033 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 0.575 -13.018 17.978 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 0.530 -12.079 18.157 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 -0.313 -13.254 17.708 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 11.899 -7.987 31.912 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 12.644 -7.399 31.792 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 11.142 -7.405 31.975 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 4.999 -9.557 19.534 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 4.540 -10.041 20.220 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 5.254 -10.225 18.898 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 4.288 -11.664 31.890 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 3.670 -10.989 32.171 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 4.632 -11.343 31.057 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 6.070 -11.314 17.797 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 5.890 -11.468 16.869 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 7.021 -11.206 17.841 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 15.460 -8.959 17.242 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 15.187 -9.384 16.429 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 15.500 -8.028 17.025 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 4.628 -14.309 32.973 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 4.778 -15.038 32.370 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 4.630 -13.532 32.414 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 6.622 -10.500 30.705 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 7.373 -10.656 30.132 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 6.283 -9.648 30.429 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 11.038 -12.685 35.733 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 11.230 -13.616 35.622 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 11.895 -12.260 35.723 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 12.354 -9.896 33.811 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 12.073 -9.187 33.233 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 13.297 -9.969 33.660 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 3.106 -13.111 34.884 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 2.339 -13.643 34.674 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 3.785 -13.421 34.285 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 7.110 -14.161 34.460 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 6.874 -14.381 35.362 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 6.327 -14.368 33.951 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 9.826 -15.034 33.536 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 8.878 -15.002 33.668 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 10.138 -15.659 34.190 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 1.287 -15.190 34.589 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 1.498 -15.897 33.978 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 1.175 -15.628 35.433 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 14.618 -6.347 35.703 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 13.752 -6.452 36.097 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 14.994 -5.588 36.150 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 15.919 -8.090 21.217 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 16.769 -7.669 21.345 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 15.924 -8.830 21.825 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 16.313 -10.037 23.041 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 15.587 -10.516 23.439 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 16.894 -9.831 23.773 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 16.072 -7.252 27.989 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 16.906 -7.630 27.708 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 16.184 -6.309 27.870 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 14.930 -12.896 17.983 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 15.027 -12.229 17.303 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 14.790 -13.712 17.501 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 14.100 -11.516 23.604 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 13.950 -12.461 23.584 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 13.746 -11.235 24.448 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 -0.865 -9.438 27.614 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 -0.681 -9.520 26.679 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 -0.016 -9.562 28.038 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 14.956 -9.546 33.243 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 15.539 -10.280 33.434 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 15.520 -8.774 33.289 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 16.453 -11.643 33.927 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.590 -12.022 33.762 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 17.057 -12.382 33.853 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 -1.267 -14.167 33.755 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 -0.348 -14.289 33.991 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 -1.717 -14.917 34.144 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 -1.742 -12.856 27.715 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 -1.250 -13.077 26.925 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 -1.380 -12.015 27.996 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 -1.429 -16.598 21.770 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 -2.354 -16.389 21.640 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 -0.975 -16.114 21.080 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 1.709 -16.639 18.191 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 2.200 -17.269 17.663 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 2.332 -16.343 18.854 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 14.786 -18.831 38.661 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 13.887 -18.692 38.956 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.038 -18.000 38.259 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 8.138 -15.672 37.148 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 7.884 -15.653 38.071 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 7.881 -16.544 36.847 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 5.020 -15.227 36.249 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 4.589 -15.672 36.979 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 4.302 -14.855 35.737 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 10.871 -15.070 37.767 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 9.933 -14.958 37.616 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 11.168 -14.213 38.073 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 16.474 -12.993 39.122 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 15.920 -13.389 38.450 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 16.575 -12.083 38.845 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 4.000 -16.110 38.658 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 3.917 -15.221 39.004 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 4.890 -16.375 38.889 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 15.460 -8.959 36.098 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 15.187 -9.384 35.285 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 15.500 -8.028 35.881 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 16.581 -10.136 38.288 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 16.060 -9.779 37.569 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 16.548 -9.461 38.966 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 14.930 -12.896 36.839 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 15.027 -12.229 36.159 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 14.790 -13.712 36.357 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 14.424 -16.670 40.971 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 14.606 -17.119 41.796 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 13.824 -17.255 40.507 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 -0.152 -18.555 38.604 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 0.287 -17.944 38.013 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 -0.786 -18.017 39.078 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 12.501 -18.370 39.956 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 11.798 -17.756 39.746 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 12.056 -19.208 40.087 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 1.709 -16.639 37.047 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 2.200 -17.269 36.519 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 2.332 -16.343 37.710 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 6.735 -16.346 39.504 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 6.913 -16.992 40.187 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 6.681 -15.512 39.971 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 16.734 0.221 -2.080 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 17.084 -0.433 -2.686 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 16.881 1.058 -2.520 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 16.254 2.330 -3.731 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 15.337 2.601 -3.767 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 16.377 1.795 -4.515 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 15.255 0.420 -5.912 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 14.442 0.745 -6.300 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 15.488 -0.340 -6.445 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 13.827 -0.024 -11.477 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 14.431 0.524 -11.978 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 12.958 0.296 -11.717 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 11.364 -0.300 -2.532 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 11.440 -0.726 -1.678 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 12.257 -0.286 -2.874 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 16.075 2.948 9.733 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 16.124 3.558 10.469 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 16.501 3.409 9.010 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 11.430 3.973 4.873 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 12.076 3.644 5.498 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 11.940 4.491 4.250 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 16.467 4.426 11.969 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 15.778 5.084 11.874 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 16.482 4.229 12.906 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 13.194 3.264 6.854 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 12.979 2.498 7.386 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 13.850 3.736 7.367 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.541 1.979 10.533 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 12.805 2.590 10.495 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 14.225 2.394 10.007 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 14.786 0.025 0.949 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 13.887 0.164 1.244 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.038 0.856 0.547 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 16.474 5.863 1.410 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 15.920 5.467 0.738 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 16.575 6.773 1.133 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 16.313 8.819 4.185 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 15.587 8.340 4.583 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 16.894 9.025 4.917 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.930 5.960 -0.873 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 15.027 6.627 -1.553 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 14.790 5.144 -1.355 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 14.100 7.340 4.748 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 13.950 6.395 4.728 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 13.746 7.621 5.592 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 14.178 3.368 -1.756 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 14.788 2.996 -1.119 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 13.341 2.946 -1.560 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 13.810 4.923 3.210 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 14.090 4.016 3.335 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 14.569 5.357 2.821 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 14.422 5.504 8.646 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 15.355 5.716 8.612 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 14.187 5.606 9.569 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 16.290 2.253 -0.213 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.703 1.532 -0.689 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 16.972 2.923 -0.155 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 13.827 -0.024 7.379 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 14.431 0.524 6.878 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 12.958 0.296 7.139 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 11.148 0.460 6.551 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 11.224 0.555 5.602 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 10.872 -0.448 6.680 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 12.501 0.486 2.244 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 11.798 1.100 2.034 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 12.056 -0.352 2.375 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 22.351 -44.168 11.621 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 22.345 -43.289 11.243 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 21.497 -44.251 12.046 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 23.965 -43.657 13.684 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 23.653 -42.875 14.140 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 23.315 -43.810 12.998 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 22.204 -41.585 14.448 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 22.212 -41.721 13.500 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 21.288 -41.703 14.700 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 17.801 -45.392 11.738 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 17.300 -45.420 10.923 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 17.807 -46.298 12.048 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 26.728 -42.372 13.180 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 26.815 -41.546 13.655 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 25.864 -42.702 13.429 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 20.050 -44.069 12.781 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 20.267 -44.430 13.641 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 19.195 -44.443 12.571 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 20.629 -45.604 15.019 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 21.362 -45.350 15.580 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 19.849 -45.400 15.534 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 19.247 -41.282 10.933 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 19.464 -42.214 10.902 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 19.494 -41.008 11.817 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 29.632 -42.096 15.635 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 29.281 -42.952 15.878 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 30.358 -41.953 16.242 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 18.365 -45.585 16.240 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 18.509 -46.487 15.954 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 17.592 -45.299 15.752 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 25.020 -45.615 15.673 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 24.692 -45.344 14.815 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 25.172 -46.556 15.585 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 22.537 -41.422 11.661 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 22.112 -40.613 11.378 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 23.442 -41.337 11.359 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 26.848 -40.023 14.620 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 27.033 -40.357 15.498 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 27.695 -39.714 14.298 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 29.193 -38.738 13.864 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 29.870 -39.370 13.624 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 29.515 -38.336 14.672 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 19.939 -38.166 11.708 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 19.219 -37.726 11.257 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 19.573 -38.417 12.557 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 22.406 -38.566 10.738 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 21.541 -38.494 11.142 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 22.351 -38.019 9.954 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 19.354 -39.543 8.619 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 19.335 -39.968 9.476 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 20.159 -39.861 8.210 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 20.247 -48.039 28.915 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 20.289 -48.665 29.639 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 20.950 -47.416 29.097 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 17.781 -49.929 22.843 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 17.333 -49.083 22.825 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 17.220 -50.509 22.328 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 18.491 -47.767 24.969 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 18.705 -48.537 25.496 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 19.229 -47.678 24.366 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 28.696 -39.610 25.836 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 29.316 -40.287 25.563 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 28.488 -39.828 26.744 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 26.268 -45.221 27.728 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 26.572 -45.907 27.134 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 26.990 -45.103 28.346 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 19.184 -50.329 26.090 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 19.838 -50.879 26.522 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 19.208 -50.603 25.174 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 28.743 -44.308 22.946 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 28.447 -44.630 22.095 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 28.419 -43.408 22.988 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 23.943 -46.132 29.690 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 23.203 -45.534 29.793 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 24.657 -45.578 29.374 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 18.472 -44.497 21.259 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 18.200 -44.268 20.370 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 18.517 -43.659 21.719 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 30.349 -41.094 24.597 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 30.774 -41.801 24.112 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 30.666 -40.293 24.180 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 31.508 -43.193 23.106 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 31.251 -43.883 22.494 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 31.579 -43.636 23.951 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 27.667 -47.665 21.355 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 26.955 -47.130 21.004 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 28.358 -47.609 20.695 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 22.718 -46.825 24.190 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 22.388 -47.195 23.371 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 23.306 -47.495 24.536 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 23.085 -48.056 27.823 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 23.650 -47.935 27.060 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 23.404 -47.419 28.462 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 29.394 -42.553 28.557 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 29.153 -41.891 29.205 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 29.196 -43.387 28.982 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 20.885 -47.459 31.769 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 20.955 -46.808 32.467 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 19.994 -47.356 31.434 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 21.708 -47.755 21.779 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 21.416 -46.987 21.288 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 21.034 -48.415 21.616 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 17.801 -45.392 30.594 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 17.300 -45.420 29.779 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 17.807 -46.298 30.904 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 27.142 -38.600 21.842 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 27.067 -38.721 20.896 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 27.175 -37.650 21.961 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 30.244 -39.446 18.845 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 30.619 -40.190 18.374 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 30.248 -39.716 19.763 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 29.913 -39.520 21.594 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 28.978 -39.420 21.773 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 30.193 -40.229 22.172 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 25.829 -45.596 20.712 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 25.085 -46.103 20.389 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 25.695 -45.547 21.658 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 27.349 -45.412 31.949 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 27.003 -45.793 32.755 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 27.149 -44.478 32.020 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 20.954 -46.301 26.481 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 21.699 -46.303 25.880 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 21.032 -47.125 26.963 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 27.955 -44.137 19.737 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 27.660 -43.311 20.119 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 27.252 -44.757 19.933 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 17.962 -47.840 31.796 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 18.185 -48.258 32.628 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 17.360 -48.453 31.374 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 24.979 -48.323 34.009 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 24.683 -48.489 33.114 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 25.910 -48.543 33.999 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 29.599 -42.950 31.899 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 28.698 -42.767 31.631 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 29.633 -42.691 32.820 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 19.084 -47.921 18.473 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 19.700 -47.294 18.852 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 18.222 -47.605 18.744 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 24.756 -45.120 23.462 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 24.515 -44.195 23.504 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 24.016 -45.579 23.858 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 28.815 -44.872 29.478 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 28.389 -45.099 30.304 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 29.396 -45.610 29.295 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 20.499 -46.008 19.965 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 19.813 -45.656 20.532 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 21.022 -45.245 19.719 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 27.147 -40.968 17.137 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 26.503 -41.599 17.459 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 27.909 -41.499 16.905 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 29.632 -42.096 34.491 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 29.281 -42.952 34.734 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 30.358 -41.953 35.098 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 22.706 -45.241 17.228 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 22.770 -46.035 17.759 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 23.359 -45.360 16.539 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 25.020 -45.615 34.529 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 24.692 -45.344 33.671 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 25.172 -46.556 34.441 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 28.058 -44.194 16.964 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 27.790 -44.014 17.865 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 27.852 -45.120 16.833 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 19.197 -48.385 34.516 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 19.605 -49.242 34.395 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 18.937 -48.370 35.437 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 23.855 -47.269 19.534 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 23.396 -47.753 20.220 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 24.110 -47.937 18.898 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 23.144 -49.376 31.890 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 22.526 -48.701 32.171 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 23.488 -49.055 31.057 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 24.926 -49.026 17.797 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 24.746 -49.180 16.869 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 25.877 -48.918 17.841 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 25.478 -48.212 30.705 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 26.229 -48.368 30.132 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 25.139 -47.360 30.429 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 21.962 -50.823 34.884 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 21.195 -51.355 34.674 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 22.641 -51.133 34.285 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 18.392 -43.699 18.281 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 19.306 -43.620 18.554 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 18.399 -44.386 17.614 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 17.991 -47.150 27.614 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 18.175 -47.232 26.679 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 18.840 -47.274 28.038 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 17.114 -50.568 27.715 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 17.606 -50.789 26.925 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 17.476 -49.727 27.996 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 32.198 -39.326 23.715 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 32.851 -39.673 23.107 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 32.709 -38.837 24.361 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 29.193 -38.738 32.720 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 29.870 -39.370 32.480 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 29.515 -38.336 33.528 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 27.117 -38.678 28.770 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 26.660 -38.149 28.116 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 27.280 -38.075 29.495 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 29.444 -39.800 29.715 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 28.540 -39.635 29.449 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 29.873 -38.947 29.649 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 21.171 -43.589 46.306 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 20.801 -44.391 45.937 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 22.112 -43.758 46.353 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 18.472 -44.497 40.115 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 18.200 -44.268 39.226 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 18.517 -43.659 40.575 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 22.718 -46.825 43.046 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 22.388 -47.195 42.227 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 23.306 -47.495 43.392 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 24.085 -43.397 45.727 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 23.990 -43.975 44.970 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 24.814 -43.768 46.223 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 27.670 -41.556 42.283 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 28.144 -41.261 43.061 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 27.107 -40.818 42.050 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 21.708 -47.755 40.635 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 21.416 -46.987 40.144 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 21.034 -48.415 40.472 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 17.552 -42.612 46.334 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 18.498 -42.756 46.315 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 17.439 -41.828 46.871 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 27.142 -38.600 40.698 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 27.067 -38.721 39.752 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 27.175 -37.650 40.817 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 22.494 -50.161 37.632 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 21.952 -50.541 36.941 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 23.328 -49.967 37.203 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 25.829 -45.596 39.568 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 25.085 -46.103 39.245 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 25.695 -45.547 40.514 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 20.954 -46.301 45.337 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 21.699 -46.303 44.736 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 21.032 -47.125 45.819 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 23.329 -42.783 42.742 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 23.856 -42.010 42.541 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 22.449 -42.558 42.440 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 19.084 -47.921 37.329 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 19.700 -47.294 37.708 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 18.222 -47.605 37.600 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 24.756 -45.120 42.318 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 24.515 -44.195 42.360 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 24.016 -45.579 42.714 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.271 -40.971 48.633 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 25.634 -40.116 48.400 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 25.803 -41.263 49.374 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 19.247 -41.282 48.645 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 19.464 -42.214 48.614 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 19.494 -41.008 49.529 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 25.109 -42.831 35.855 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 25.348 -43.579 35.307 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 24.840 -43.219 36.687 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 24.046 -43.261 38.311 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 24.193 -43.781 39.101 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 24.043 -42.354 38.617 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 20.499 -46.008 38.821 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 19.813 -45.656 39.388 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 21.022 -45.245 38.575 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 26.784 -41.563 39.060 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 25.967 -41.066 39.113 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 27.313 -41.088 38.420 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 24.122 -40.520 39.042 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 24.283 -39.720 38.541 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 23.925 -40.213 39.927 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 19.431 -50.730 36.834 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 19.386 -49.791 37.013 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 18.543 -50.966 36.564 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 27.147 -40.968 35.993 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 26.503 -41.599 36.315 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 27.909 -41.499 35.761 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 22.706 -45.241 36.084 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 22.770 -46.035 36.615 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 23.359 -45.360 35.395 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 28.058 -44.194 35.820 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 27.790 -44.014 36.721 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 27.852 -45.120 35.689 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 23.855 -47.269 38.390 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 23.396 -47.753 39.076 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 24.110 -47.937 37.754 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 24.824 -38.335 37.654 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 25.757 -38.177 37.798 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 24.560 -37.660 37.029 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 17.911 -40.225 44.019 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 17.577 -41.106 44.191 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 18.133 -39.880 44.883 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 22.537 -41.422 49.373 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 22.112 -40.613 49.090 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 23.442 -41.337 49.071 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.939 -38.166 49.420 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.219 -37.726 48.969 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 19.573 -38.417 50.269 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 22.406 -38.566 48.450 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 21.541 -38.494 48.854 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 22.351 -38.019 47.666 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 27.117 -38.678 47.626 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 26.660 -38.149 46.972 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 27.280 -38.075 48.351 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 19.354 -39.543 46.331 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 19.335 -39.968 47.188 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 20.159 -39.861 45.922 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 21.495 -40.833 44.986 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 21.276 -41.749 45.155 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 22.319 -40.693 45.452 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 24.032 -40.363 45.834 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.245 -41.251 45.547 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.097 -40.397 46.789 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 27.469 -39.109 37.899 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 28.335 -38.743 37.721 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 27.222 -39.549 37.086 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 20.247 -29.183 10.059 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 20.289 -29.809 10.783 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 20.950 -28.560 10.241 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 21.171 -24.733 8.594 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 20.801 -25.535 8.225 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 22.112 -24.902 8.641 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 18.491 -28.911 6.113 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 18.705 -29.681 6.640 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 19.229 -28.822 5.510 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 19.184 -31.473 7.234 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 19.838 -32.023 7.666 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 19.208 -31.747 6.318 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 21.374 -34.952 10.546 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 21.155 -34.422 9.780 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 20.706 -34.725 11.194 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 23.943 -27.276 10.834 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 23.203 -26.678 10.937 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 24.657 -26.722 10.518 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 24.085 -24.541 8.015 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 23.990 -25.119 7.258 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 24.814 -24.912 8.511 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 23.085 -29.200 8.967 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 23.650 -29.079 8.204 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 23.404 -28.563 9.606 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.965 -24.801 13.684 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 23.653 -24.019 14.140 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 23.315 -24.954 12.998 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 26.728 -23.516 13.180 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 26.815 -22.690 13.655 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 25.864 -23.846 13.429 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 20.796 -20.955 4.767 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 20.948 -21.303 5.646 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 19.945 -21.311 4.512 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 22.760 -31.777 9.872 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 22.118 -31.818 10.581 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 22.797 -30.851 9.634 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 20.510 -31.457 11.739 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.472 -31.057 12.607 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 20.019 -32.274 11.829 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 27.349 -26.556 13.093 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 27.003 -26.937 13.899 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 27.149 -25.622 13.164 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 20.954 -27.445 7.625 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 21.699 -27.447 7.024 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 21.032 -28.269 8.107 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 24.979 -29.467 15.153 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 24.683 -29.633 14.258 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 25.910 -29.687 15.143 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 29.599 -24.094 13.043 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 28.698 -23.911 12.775 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 29.633 -23.835 13.964 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 23.329 -23.927 5.030 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 23.856 -23.154 4.829 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 22.449 -23.702 4.728 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 25.271 -22.115 10.921 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 25.634 -21.260 10.688 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 25.803 -22.407 11.662 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.440 -21.242 4.151 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 22.490 -21.137 4.203 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 23.791 -20.422 4.496 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 19.596 -34.231 12.498 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 18.703 -33.892 12.431 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 19.497 -35.086 12.916 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 19.169 -23.152 3.956 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.337 -22.679 3.983 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.715 -22.642 3.357 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 29.632 -23.240 15.635 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 29.281 -24.096 15.878 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 30.358 -23.097 16.242 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 25.020 -26.759 15.673 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 24.692 -26.488 14.815 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 25.172 -27.700 15.585 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 23.144 -30.520 13.034 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 22.526 -29.845 13.315 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 23.488 -30.199 12.201 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 28.164 -28.049 16.312 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 29.117 -27.965 16.284 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 28.004 -28.760 16.931 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 23.484 -33.165 14.117 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 23.634 -33.894 13.514 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 23.486 -32.388 13.558 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 23.896 -34.795 11.609 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 24.432 -34.344 10.957 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 23.044 -34.903 11.187 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.478 -29.356 11.849 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 26.229 -29.512 11.276 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.139 -28.504 11.573 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 21.962 -31.967 16.028 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 21.195 -32.499 15.818 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 22.641 -32.277 15.429 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 24.702 -37.339 12.041 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 24.604 -36.392 11.935 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 23.959 -37.711 11.565 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.966 -33.017 15.604 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 25.730 -33.237 16.506 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.183 -33.224 15.095 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 24.924 -38.045 14.712 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 25.636 -38.685 14.698 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 24.823 -37.778 13.798 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 25.277 -36.362 16.766 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 25.146 -36.838 15.945 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 24.678 -35.618 16.710 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 17.041 -19.450 4.502 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 16.394 -19.912 3.969 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 17.396 -20.122 5.085 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 17.911 -21.369 6.307 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 17.577 -22.250 6.479 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 18.133 -21.024 7.171 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 17.991 -28.294 8.758 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 18.175 -28.376 7.823 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 18.840 -28.418 9.182 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 18.810 -34.711 7.790 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 19.255 -35.503 8.092 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 19.276 -33.995 8.221 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 17.114 -31.712 8.859 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 17.606 -31.933 8.069 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 17.476 -30.871 9.140 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 22.537 -22.566 11.661 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 22.112 -21.757 11.378 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 23.442 -22.481 11.359 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 29.193 -19.882 13.864 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 29.870 -20.514 13.624 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 29.515 -19.480 14.672 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 27.117 -19.822 9.914 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 26.660 -19.293 9.260 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 27.280 -19.219 10.639 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 21.495 -21.977 7.274 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 21.276 -22.893 7.443 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 22.319 -21.837 7.740 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 24.032 -21.507 8.122 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 24.245 -22.395 7.835 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 24.097 -21.541 9.077 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 30.220 -38.012 16.324 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 30.296 -38.438 17.178 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 31.113 -37.998 15.982 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 28.946 -28.053 23.903 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 29.035 -27.109 23.771 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 28.307 -28.328 23.245 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 27.879 -28.798 27.322 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 27.841 -29.444 28.027 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 27.556 -29.264 26.551 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 28.696 -20.754 25.836 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 29.316 -21.431 25.563 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 28.488 -20.972 26.744 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 26.268 -26.365 27.728 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 26.572 -27.051 27.134 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 26.990 -26.247 28.346 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 30.286 -33.739 23.729 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 30.932 -34.068 24.354 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 30.796 -33.221 23.106 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 28.743 -25.452 22.946 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 28.447 -25.774 22.095 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 28.419 -24.552 22.988 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 23.943 -27.276 29.690 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 23.203 -26.678 29.793 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 24.657 -26.722 29.374 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 22.351 -25.312 30.477 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 22.345 -24.433 30.099 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 21.497 -25.395 30.902 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 27.667 -28.809 21.355 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 26.955 -28.274 21.004 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 28.358 -28.753 20.695 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 27.721 -30.351 18.394 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 28.422 -30.329 19.045 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 28.023 -30.979 17.738 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 24.085 -24.541 26.871 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.990 -25.119 26.114 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 24.814 -24.912 27.367 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 23.965 -24.801 32.540 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 23.653 -24.019 32.996 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 23.315 -24.954 31.854 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 27.670 -22.700 23.427 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 28.144 -22.405 24.205 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 27.107 -21.962 23.194 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 22.204 -22.729 33.304 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 22.212 -22.865 32.356 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 21.288 -22.847 33.556 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 30.244 -20.590 18.845 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 30.619 -21.334 18.374 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 30.248 -20.860 19.763 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 29.913 -20.664 21.594 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 28.978 -20.564 21.773 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 30.193 -21.373 22.172 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 20.050 -25.213 31.637 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 20.267 -25.574 32.497 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 19.195 -25.587 31.427 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 27.332 -37.021 31.007 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 27.752 -37.436 31.760 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 26.399 -37.199 31.124 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 26.994 -34.528 18.292 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 26.740 -34.509 19.215 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 26.737 -35.400 17.991 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 28.293 -31.140 22.457 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 27.884 -30.325 22.165 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 29.013 -31.280 21.842 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 27.395 -30.965 33.945 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 26.832 -31.669 34.265 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 28.221 -31.085 34.412 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 29.297 -31.694 25.271 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 29.102 -31.089 24.556 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 29.479 -32.528 24.836 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 28.561 -30.056 29.942 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 28.885 -30.687 29.299 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 28.121 -30.591 30.603 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 29.744 -34.894 27.990 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 29.067 -34.763 28.654 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 29.258 -35.049 27.180 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 26.659 -31.341 26.613 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 27.223 -31.888 26.066 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 26.511 -31.863 27.402 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.285 -32.953 29.027 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.450 -32.499 29.137 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.809 -32.677 29.779 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 25.829 -26.740 20.712 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 25.085 -27.247 20.389 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 25.695 -26.691 21.658 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 29.727 -33.926 18.911 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 28.789 -33.814 18.760 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 30.024 -33.069 19.217 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 27.349 -26.556 31.949 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 27.003 -26.937 32.755 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 27.149 -25.622 32.020 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 27.955 -25.281 19.737 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 27.660 -24.455 20.119 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 27.252 -25.901 19.933 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 24.979 -29.467 34.009 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 24.683 -29.633 33.114 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 25.910 -29.687 33.999 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 23.329 -23.927 23.886 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 23.856 -23.154 23.685 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 22.449 -23.702 23.584 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 24.756 -26.264 23.462 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 24.515 -25.339 23.504 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 24.016 -26.723 23.858 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 25.271 -22.115 29.777 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 25.634 -21.260 29.544 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 25.803 -22.407 30.518 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.440 -21.242 23.007 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 22.490 -21.137 23.059 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.791 -20.422 23.352 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 31.018 -25.087 18.552 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 31.371 -25.467 19.356 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 30.069 -25.180 18.638 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 19.247 -22.426 29.789 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 19.464 -23.358 29.758 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 19.494 -22.152 30.673 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 28.331 -34.490 30.244 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 29.029 -34.416 30.894 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 27.950 -35.354 30.399 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 29.115 -34.838 21.341 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 29.335 -34.366 20.538 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 29.673 -34.443 22.012 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 26.315 -33.110 22.176 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 27.127 -32.606 22.222 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 26.070 -33.255 23.090 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 26.851 -32.124 31.361 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 26.970 -31.550 32.118 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 27.506 -32.812 31.476 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 27.199 -36.029 23.114 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.852 -35.411 23.759 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 27.857 -35.528 22.633 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.055 -21.620 35.762 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.823 -22.079 36.103 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 23.034 -21.846 34.832 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 31.751 -22.295 17.371 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 32.034 -23.089 17.824 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 32.491 -22.062 16.810 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.020 -26.759 34.529 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 24.692 -26.488 33.671 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.172 -27.700 34.441 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 28.058 -25.338 16.964 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 27.790 -25.158 17.865 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 27.852 -26.264 16.833 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.855 -28.413 19.534 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 23.396 -28.897 20.220 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 24.110 -29.081 18.898 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 24.926 -30.170 17.797 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 24.746 -30.324 16.869 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 25.877 -30.062 17.841 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 28.164 -28.049 35.168 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 29.117 -27.965 35.140 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 28.004 -28.760 35.787 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 25.478 -29.356 30.705 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 26.229 -29.512 30.132 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 25.139 -28.504 30.429 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 25.966 -33.017 34.460 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 25.730 -33.237 35.362 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 25.183 -33.224 33.951 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 28.682 -33.890 33.536 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 27.734 -33.858 33.668 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 28.994 -34.515 34.190 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 25.277 -36.362 35.622 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 25.146 -36.838 34.801 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 24.678 -35.618 35.566 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 19.583 -23.541 34.258 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.762 -23.366 33.798 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 19.331 -23.614 35.179 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 22.537 -22.566 30.517 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 22.112 -21.757 30.234 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 23.442 -22.481 30.215 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 22.406 -19.710 29.594 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 21.541 -19.638 29.998 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 22.351 -19.163 28.810 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 24.032 -21.507 26.978 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 24.245 -22.395 26.691 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 24.097 -21.541 27.933 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 27.541 -35.843 26.123 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 26.866 -36.472 26.378 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 28.105 -36.327 25.520 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 30.004 -37.252 25.407 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 30.080 -37.157 24.458 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 29.728 -38.160 25.536 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 31.357 -37.226 21.100 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 30.654 -36.612 20.890 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 30.912 -38.064 21.231 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 24.340 -29.923 44.162 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 24.956 -30.449 44.671 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 23.754 -30.563 43.758 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 23.943 -27.276 48.546 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 23.203 -26.678 48.649 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 24.657 -26.722 48.230 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 18.472 -25.641 40.115 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 18.200 -25.412 39.226 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 18.517 -24.803 40.575 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 25.400 -37.646 45.711 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 25.283 -38.595 45.657 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 24.545 -37.314 45.984 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 22.718 -27.969 43.046 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 22.388 -28.339 42.227 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 23.306 -28.639 43.392 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 23.085 -29.200 46.679 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 23.650 -29.079 45.916 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 23.404 -28.563 47.318 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 20.885 -28.603 50.625 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 20.955 -27.952 51.323 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 19.994 -28.500 50.290 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.708 -28.899 40.635 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 21.416 -28.131 40.144 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.034 -29.559 40.472 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 17.801 -26.536 49.450 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 17.300 -26.564 48.635 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 17.807 -27.442 49.760 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 17.552 -23.756 46.334 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 18.498 -23.900 46.315 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 17.439 -22.972 46.871 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 27.332 -37.021 49.863 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 27.752 -37.436 50.616 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 26.399 -37.199 49.980 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 26.994 -34.528 37.148 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 26.740 -34.509 38.071 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 26.737 -35.400 36.847 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 22.757 -31.556 42.496 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 21.864 -31.897 42.437 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 23.208 -31.933 41.740 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 23.876 -34.083 36.249 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 23.445 -34.528 36.979 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 23.158 -33.711 35.737 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 25.339 -34.129 43.582 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 24.428 -34.072 43.871 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 25.844 -34.189 44.393 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 23.820 -32.500 40.065 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 24.752 -32.371 40.243 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 23.605 -31.830 39.416 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 22.494 -31.305 37.632 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 21.952 -31.685 36.941 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 23.328 -31.111 37.203 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 26.659 -31.341 45.469 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 27.223 -31.888 44.922 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 26.511 -31.863 46.258 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 25.285 -32.953 47.883 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 24.450 -32.499 47.993 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.809 -32.677 48.635 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 20.954 -27.445 45.337 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 21.699 -27.447 44.736 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 21.032 -28.269 45.819 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 17.962 -28.984 50.652 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 18.185 -29.402 51.484 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 17.360 -29.597 50.230 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 20.499 -27.152 38.821 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 19.813 -26.800 39.388 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 21.022 -26.389 38.575 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 28.331 -34.490 49.100 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 29.029 -34.416 49.750 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 27.950 -35.354 49.255 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 29.115 -34.838 40.197 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 29.335 -34.366 39.394 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 29.673 -34.443 40.868 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 26.315 -33.110 41.032 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 27.127 -32.606 41.078 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.070 -33.255 41.946 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.851 -32.124 50.217 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 26.970 -31.550 50.974 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 27.506 -32.812 50.332 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.199 -36.029 41.970 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.852 -35.411 42.615 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.857 -35.528 41.489 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 21.115 -24.538 37.718 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 21.707 -23.839 37.994 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 21.574 -24.971 36.999 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 19.169 -23.152 41.668 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 18.337 -22.679 41.695 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 19.715 -22.642 41.069 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 22.706 -26.385 36.084 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 22.770 -27.179 36.615 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 23.359 -26.504 35.395 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 19.197 -29.529 53.372 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 19.605 -30.386 53.251 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 18.937 -29.514 54.293 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.855 -28.413 38.390 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 23.396 -28.897 39.076 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.110 -29.081 37.754 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.144 -30.520 50.746 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 22.526 -29.845 51.027 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.488 -30.199 49.913 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 24.926 -30.170 36.653 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 24.746 -30.324 35.725 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.877 -30.062 36.697 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 23.484 -33.165 51.829 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 23.634 -33.894 51.226 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 23.486 -32.388 51.270 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 23.896 -34.795 49.321 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.432 -34.344 48.669 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.044 -34.903 48.899 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 25.478 -29.356 49.561 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.229 -29.512 48.988 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 25.139 -28.504 49.285 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 21.962 -31.967 53.740 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 21.195 -32.499 53.530 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 22.641 -32.277 53.141 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 24.702 -37.339 49.753 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 24.604 -36.392 49.647 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 23.959 -37.711 49.277 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 20.143 -34.046 53.445 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 20.354 -34.753 52.834 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 20.031 -34.484 54.289 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 18.392 -24.843 37.137 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 19.306 -24.764 37.410 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 18.399 -25.530 36.470 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 17.911 -21.369 44.019 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 17.577 -22.250 44.191 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 18.133 -21.024 44.883 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 17.589 -33.023 52.611 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 18.508 -33.145 52.847 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 17.139 -33.773 53.000 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 17.391 -36.716 48.970 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 16.726 -36.962 49.613 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 16.948 -36.094 48.393 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 27.541 -35.843 44.979 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.866 -36.472 45.234 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 28.105 -36.327 44.376 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 18.605 -21.463 39.502 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 17.920 -21.501 38.834 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 18.608 -20.550 39.790 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 25.591 -35.202 39.504 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 25.769 -35.848 40.187 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 25.537 -34.368 39.971 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 19.825 -36.695 52.318 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 19.459 -37.460 52.761 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 20.738 -36.666 52.605 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 20.423 -20.543 36.527 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 20.155 -20.256 37.400 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 21.194 -21.089 36.679 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 21.171 -5.877 -10.262 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 20.801 -6.679 -10.631 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 22.112 -6.046 -10.215 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 17.781 -12.217 -14.869 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 17.333 -11.371 -14.887 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 17.220 -12.797 -15.384 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 19.184 -12.617 -11.622 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 19.838 -13.167 -11.190 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 19.208 -12.891 -12.538 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 21.374 -16.096 -8.310 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 21.155 -15.566 -9.076 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 20.706 -15.869 -7.662 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.943 -8.420 -8.022 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.203 -7.822 -7.919 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.657 -7.866 -8.338 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 20.968 -14.204 -10.357 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 21.581 -13.571 -9.984 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 21.480 -14.676 -11.014 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 22.351 -6.456 -7.235 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.345 -5.577 -7.613 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 21.497 -6.539 -6.810 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 18.472 -6.785 -16.453 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 18.200 -6.556 -17.342 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 18.517 -5.947 -15.993 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 22.718 -9.113 -13.522 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.388 -9.483 -14.341 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 23.306 -9.783 -13.176 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 23.085 -10.344 -9.889 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 23.650 -10.223 -10.652 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 23.404 -9.707 -9.250 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 23.965 -5.945 -5.172 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 23.653 -5.163 -4.716 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 23.315 -6.098 -5.858 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 20.885 -9.747 -5.943 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 20.955 -9.096 -5.245 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 19.994 -9.644 -6.278 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 22.204 -3.873 -4.408 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 22.212 -4.009 -5.356 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 21.288 -3.991 -4.156 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 17.552 -4.900 -10.234 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 18.498 -5.044 -10.253 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 17.439 -4.116 -9.697 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 26.728 -4.660 -5.676 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 26.815 -3.834 -5.201 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 25.864 -4.990 -5.427 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 22.760 -12.921 -8.984 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 22.118 -12.962 -8.275 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 22.797 -11.995 -9.222 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.395 -12.109 -3.767 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 26.832 -12.813 -3.447 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 28.221 -12.229 -3.300 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 20.510 -12.601 -7.117 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 20.472 -12.201 -6.249 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 20.019 -13.418 -7.027 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 17.118 -15.485 -13.267 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 17.749 -15.514 -12.547 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 17.568 -15.910 -13.997 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 20.167 -13.644 -14.159 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.278 -13.544 -14.499 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 20.463 -14.486 -14.505 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 27.349 -7.700 -5.763 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 27.003 -8.081 -4.957 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 27.149 -6.766 -5.692 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 20.954 -8.589 -11.231 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 21.699 -8.591 -11.832 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 21.032 -9.413 -10.749 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 24.979 -10.611 -3.703 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 24.683 -10.777 -4.598 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 25.910 -10.831 -3.713 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 29.599 -5.238 -5.813 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 28.698 -5.055 -6.081 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 29.633 -4.979 -4.892 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.271 -3.259 -7.935 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.634 -2.404 -8.168 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.803 -3.551 -7.194 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 19.596 -15.375 -6.358 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 18.703 -15.036 -6.425 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 19.497 -16.230 -5.940 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.247 -3.570 -7.923 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 19.464 -4.502 -7.954 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.494 -3.296 -7.039 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.169 -4.296 -14.900 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 18.337 -3.823 -14.873 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 19.715 -3.786 -15.499 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 18.458 -1.683 -3.570 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 18.998 -1.900 -2.811 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 17.977 -2.489 -3.760 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 29.632 -4.384 -3.221 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 29.281 -5.240 -2.978 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 30.358 -4.241 -2.614 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 30.755 -7.987 -5.800 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 31.500 -7.399 -5.920 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 29.998 -7.405 -5.737 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 23.144 -11.664 -5.822 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 22.526 -10.989 -5.541 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 23.488 -11.343 -6.655 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 28.164 -9.193 -2.544 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 29.117 -9.109 -2.572 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.004 -9.904 -1.925 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 23.484 -14.309 -4.739 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 23.634 -15.038 -5.342 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 23.486 -13.532 -5.298 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.478 -10.500 -7.007 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.229 -10.656 -7.580 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 25.139 -9.648 -7.283 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 31.210 -9.896 -3.901 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 30.929 -9.187 -4.479 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 32.153 -9.969 -4.052 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.962 -13.111 -2.828 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.195 -13.643 -3.038 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 22.641 -13.421 -3.427 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 25.966 -14.161 -3.252 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 25.730 -14.381 -2.350 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.183 -14.368 -3.761 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 20.143 -15.190 -3.123 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 20.354 -15.897 -3.734 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.031 -15.628 -2.279 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 17.911 -2.513 -12.549 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 17.577 -3.394 -12.377 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 18.133 -2.168 -11.685 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 17.589 -14.167 -3.957 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 18.508 -14.289 -3.721 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 17.139 -14.917 -3.568 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 18.810 -15.855 -11.066 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 19.255 -16.647 -10.764 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 19.276 -15.139 -10.635 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 22.537 -3.710 -7.195 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 22.112 -2.901 -7.478 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 23.442 -3.625 -7.497 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 26.848 -2.311 -4.236 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 27.033 -2.645 -3.358 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 27.695 -2.002 -4.558 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 19.939 -0.454 -7.148 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 19.219 -0.014 -7.599 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 19.573 -0.705 -6.299 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 19.354 -1.831 -10.237 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 19.335 -2.256 -9.380 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 20.159 -2.149 -10.646 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 28.946 -9.197 5.047 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 29.035 -8.253 4.915 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 28.307 -9.472 4.389 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 27.879 -9.942 8.466 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 27.841 -10.588 9.171 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 27.556 -10.408 7.695 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 21.171 -5.877 8.594 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 20.801 -6.679 8.225 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 22.112 -6.046 8.641 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 26.268 -7.509 8.872 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 26.572 -8.195 8.278 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 26.990 -7.391 9.490 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 24.340 -11.067 6.450 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 24.956 -11.593 6.959 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 23.754 -11.707 6.046 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 28.743 -6.596 4.090 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 28.447 -6.918 3.239 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 28.419 -5.696 4.132 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 23.943 -8.420 10.834 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 23.203 -7.822 10.937 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 24.657 -7.866 10.518 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 22.351 -6.456 11.621 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 22.345 -5.577 11.243 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 21.497 -6.539 12.046 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 25.400 -18.790 7.999 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 25.283 -19.739 7.945 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 24.545 -18.458 8.272 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 31.508 -5.481 4.250 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 31.251 -6.171 3.638 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 31.579 -5.924 5.095 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 27.667 -9.953 2.499 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.955 -9.418 2.148 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 28.358 -9.897 1.839 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 27.721 -11.495 -0.462 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 28.422 -11.473 0.189 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 28.023 -12.123 -1.118 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 31.073 -9.743 3.451 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 30.341 -9.515 4.024 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 31.520 -10.457 3.906 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.718 -9.113 5.334 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.388 -9.483 4.515 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 23.306 -9.783 5.680 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 24.085 -5.685 8.015 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 23.990 -6.263 7.258 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 24.814 -6.056 8.511 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 23.965 -5.945 13.684 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 23.653 -5.163 14.140 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.315 -6.098 12.998 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 29.944 -10.581 1.136 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 30.523 -10.431 1.883 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 30.358 -10.110 0.413 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 27.670 -3.844 4.571 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 28.144 -3.549 5.349 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 27.107 -3.106 4.338 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 22.204 -3.873 14.448 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 22.212 -4.009 13.500 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 21.288 -3.991 14.700 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 27.142 -0.888 2.986 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 27.067 -1.009 2.040 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 27.175 0.062 3.105 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 30.244 -1.734 -0.011 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 30.619 -2.478 -0.482 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 30.248 -2.004 0.907 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 29.913 -1.808 2.738 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 28.978 -1.708 2.917 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 30.193 -2.517 3.316 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 27.332 -18.165 12.151 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 27.752 -18.580 12.904 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 26.399 -18.343 12.268 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 31.421 -9.548 -1.234 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 31.463 -9.771 -2.164 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 32.270 -9.150 -1.044 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.994 -15.672 -0.564 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 26.740 -15.653 0.359 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 26.737 -16.544 -0.865 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 28.293 -12.284 3.601 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 27.884 -11.469 3.309 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 29.013 -12.424 2.986 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 27.395 -12.109 15.089 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 26.832 -12.813 15.409 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 28.221 -12.229 15.556 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 20.510 -12.601 11.739 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 20.472 -12.201 12.607 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.019 -13.418 11.829 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 23.876 -15.227 -1.463 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 23.445 -15.672 -0.733 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 23.158 -14.855 -1.975 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 18.393 -14.739 1.013 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 18.867 -14.148 0.428 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 17.675 -14.208 1.360 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 25.339 -15.273 5.870 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 24.428 -15.216 6.159 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 25.844 -15.333 6.681 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 20.629 -7.892 15.019 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 21.362 -7.638 15.580 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 19.849 -7.688 15.534 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 26.659 -12.485 7.757 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 27.223 -13.032 7.210 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 26.511 -13.007 8.546 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 21.661 -16.349 4.175 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 21.344 -17.251 4.140 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 22.442 -16.347 3.623 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 25.285 -14.097 10.171 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 24.450 -13.643 10.281 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 25.809 -13.821 10.923 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 24.979 -10.611 15.153 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 24.683 -10.777 14.258 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 25.910 -10.831 15.143 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 31.018 -6.231 -0.304 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 31.371 -6.611 0.500 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 30.069 -6.324 -0.218 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 19.596 -15.375 12.498 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 18.703 -15.036 12.431 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 19.497 -16.230 12.916 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 31.884 -7.558 1.922 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 31.607 -8.286 2.478 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 32.811 -7.439 2.128 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 19.247 -3.570 10.933 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 19.464 -4.502 10.902 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 19.494 -3.296 11.817 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 28.331 -15.634 11.388 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 29.029 -15.560 12.038 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 27.950 -16.498 11.543 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 26.315 -14.254 3.320 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 27.127 -13.750 3.366 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 26.070 -14.399 4.234 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 26.851 -13.268 12.505 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 26.970 -12.694 13.262 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 27.506 -13.956 12.620 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 22.856 -16.110 0.946 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.773 -15.221 1.292 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.746 -16.375 1.177 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 27.147 -3.256 -1.719 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 26.503 -3.887 -1.397 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 27.909 -3.787 -1.951 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 31.751 -3.439 -1.485 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 32.034 -4.233 -1.032 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 32.491 -3.206 -2.046 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 18.365 -7.873 16.240 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 18.509 -8.775 15.954 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 17.592 -7.587 15.752 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 25.020 -7.903 15.673 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.692 -7.632 14.815 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 25.172 -8.844 15.585 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 23.144 -11.664 13.034 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 22.526 -10.989 13.315 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 23.488 -11.343 12.201 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 24.926 -11.314 -1.059 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 24.746 -11.468 -1.987 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 25.877 -11.206 -1.015 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 23.896 -15.939 11.609 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 24.432 -15.488 10.957 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 23.044 -16.047 11.187 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 25.478 -10.500 11.849 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 26.229 -10.656 11.276 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 25.139 -9.648 11.573 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 29.894 -12.685 16.877 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 30.086 -13.616 16.766 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 30.751 -12.260 16.867 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 24.702 -18.483 12.041 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 24.604 -17.536 11.935 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 23.959 -18.855 11.565 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 28.682 -15.034 14.680 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 27.734 -15.002 14.812 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 28.994 -15.659 15.334 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 30.316 -16.400 16.685 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 30.219 -17.352 16.679 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 29.994 -16.131 17.546 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 24.824 -0.623 -0.058 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 25.757 -0.465 0.086 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 24.560 0.052 -0.683 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 17.427 -16.598 2.914 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 16.502 -16.389 2.784 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 17.881 -16.114 2.224 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 19.583 -4.685 15.402 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 18.762 -4.510 14.942 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 19.331 -4.758 16.323 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 22.537 -3.710 11.661 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 22.112 -2.901 11.378 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 23.442 -3.625 11.359 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 19.939 -0.454 11.708 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.219 -0.014 11.257 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.573 -0.705 12.557 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 22.406 -0.854 10.738 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 21.541 -0.782 11.142 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 22.351 -0.307 9.954 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 19.354 -1.831 8.619 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 19.335 -2.256 9.476 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 20.159 -2.149 8.210 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 21.495 -3.121 7.274 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 21.276 -4.037 7.443 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 22.319 -2.981 7.740 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 24.032 -2.651 8.122 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 24.245 -3.539 7.835 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 24.097 -2.685 9.077 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 18.704 -18.555 0.892 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 19.143 -17.944 0.301 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 18.070 -18.017 1.366 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 24.447 -18.426 4.902 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 25.321 -18.038 4.872 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 24.311 -18.641 5.825 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 20.565 -16.639 -0.665 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 21.056 -17.269 -1.193 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 21.188 -16.343 -0.002 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 25.591 -16.346 1.792 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 25.769 -16.992 2.475 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 25.537 -15.512 2.259 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 27.469 -1.397 0.187 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 28.335 -1.031 0.009 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 27.222 -1.837 -0.626 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 30.220 -19.156 16.324 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 30.296 -19.582 17.178 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 31.113 -19.142 15.982 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 28.946 -9.197 23.903 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 29.035 -8.253 23.771 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 28.307 -9.472 23.245 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 27.879 -9.942 27.322 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 27.841 -10.588 28.027 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 27.556 -10.408 26.551 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 21.171 -5.877 27.450 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 20.801 -6.679 27.081 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 22.112 -6.046 27.497 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 26.268 -7.509 27.728 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 26.572 -8.195 27.134 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 26.990 -7.391 28.346 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 29.409 -13.115 28.056 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 29.552 -14.062 28.076 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 29.303 -12.908 27.127 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 30.286 -14.883 23.729 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 30.932 -15.212 24.354 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 30.796 -14.365 23.106 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 32.050 -15.592 25.710 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 31.835 -16.358 26.242 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 32.706 -15.120 26.223 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 18.472 -6.785 21.259 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 18.200 -6.556 20.370 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 18.517 -5.947 21.719 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.400 -18.790 26.855 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 25.283 -19.739 26.801 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 24.545 -18.458 27.128 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 27.667 -9.953 21.355 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 26.955 -9.418 21.004 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 28.358 -9.897 20.695 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 27.721 -11.495 18.394 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 28.422 -11.473 19.045 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 28.023 -12.123 17.738 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 31.073 -9.743 22.307 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 30.341 -9.515 22.880 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 31.520 -10.457 22.762 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 24.085 -5.685 26.871 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 23.990 -6.263 26.114 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 24.814 -6.056 27.367 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 23.965 -5.945 32.540 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 23.653 -5.163 32.996 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 23.315 -6.098 31.854 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 29.944 -10.581 19.992 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 30.523 -10.431 20.739 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 30.358 -10.110 19.269 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 22.204 -3.873 33.304 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 22.212 -4.009 32.356 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 21.288 -3.991 33.556 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 17.552 -4.900 27.478 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 18.498 -5.044 27.459 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 17.439 -4.116 28.015 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 26.728 -4.660 32.036 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 26.815 -3.834 32.511 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 25.864 -4.990 32.285 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 22.669 -17.887 27.633 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 21.808 -17.974 27.225 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 22.647 -17.031 28.060 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 27.395 -12.109 33.945 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 26.832 -12.813 34.265 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 28.221 -12.229 34.412 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 29.297 -12.838 25.271 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 29.102 -12.233 24.556 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 29.479 -13.672 24.836 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.561 -11.200 29.942 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 28.885 -11.831 29.299 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 28.121 -11.735 30.603 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 29.744 -16.038 27.990 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 29.067 -15.907 28.654 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 29.258 -16.193 27.180 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 26.659 -12.485 26.613 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.223 -13.032 26.066 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 26.511 -13.007 27.402 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 25.285 -14.097 29.027 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 24.450 -13.643 29.137 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 25.809 -13.821 29.779 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 25.829 -7.884 20.712 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 25.085 -8.391 20.389 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 25.695 -7.835 21.658 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 29.727 -15.070 18.911 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 28.789 -14.958 18.760 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 30.024 -14.213 19.217 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 27.349 -7.700 31.949 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 27.003 -8.081 32.755 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 27.149 -6.766 32.020 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 30.445 -13.203 20.572 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 31.337 -13.340 20.891 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 30.502 -12.412 20.035 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 24.979 -10.611 34.009 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 24.683 -10.777 33.114 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 25.910 -10.831 33.999 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 23.329 -5.071 23.886 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 23.856 -4.298 23.685 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 22.449 -4.846 23.584 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 24.756 -7.408 23.462 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 24.515 -6.483 23.504 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 24.016 -7.867 23.858 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 19.247 -3.570 29.789 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 19.464 -4.502 29.758 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 19.494 -3.296 30.673 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 24.046 -5.549 19.455 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 24.193 -6.069 20.245 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 24.043 -4.642 19.761 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 29.115 -15.982 21.341 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 29.335 -15.510 20.538 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 29.673 -15.587 22.012 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 26.851 -13.268 31.361 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 26.970 -12.694 32.118 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 27.506 -13.956 31.476 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 31.657 -11.610 26.292 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 30.860 -12.025 25.963 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 32.102 -12.301 26.783 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 21.115 -5.682 18.862 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 21.707 -4.983 19.138 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.574 -6.115 18.143 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 19.169 -4.296 22.812 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 18.337 -3.823 22.839 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 19.715 -3.786 22.213 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 18.365 -7.873 35.096 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 18.509 -8.775 34.810 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 17.592 -7.587 34.608 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.706 -7.529 17.228 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 22.770 -8.323 17.759 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.359 -7.648 16.539 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 25.020 -7.903 34.529 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 24.692 -7.632 33.671 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 25.172 -8.844 34.441 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 23.855 -9.557 19.534 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 23.396 -10.041 20.220 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 24.110 -10.225 18.898 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 24.926 -11.314 17.797 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 24.746 -11.468 16.869 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 25.877 -11.206 17.841 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 23.484 -14.309 32.973 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 23.634 -15.038 32.370 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 23.486 -13.532 32.414 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 23.896 -15.939 30.465 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 24.432 -15.488 29.813 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 23.044 -16.047 30.043 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 25.478 -10.500 30.705 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 26.229 -10.656 30.132 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 25.139 -9.648 30.429 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 21.962 -13.111 34.884 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 21.195 -13.643 34.674 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 22.641 -13.421 34.285 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 24.702 -18.483 30.897 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.604 -17.536 30.791 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 23.959 -18.855 30.421 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 25.966 -14.161 34.460 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 25.730 -14.381 35.362 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 25.183 -14.368 33.951 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 20.143 -15.190 34.589 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 20.354 -15.897 33.978 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 20.031 -15.628 35.433 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 18.392 -5.987 18.281 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.306 -5.908 18.554 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 18.399 -6.674 17.614 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 32.956 -11.516 23.604 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 32.806 -12.461 23.584 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 32.602 -11.235 24.448 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 32.666 -13.933 22.066 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 32.946 -14.840 22.191 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 33.425 -13.499 21.677 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 17.589 -14.167 33.755 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 18.508 -14.289 33.991 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 17.139 -14.917 34.144 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 19.583 -4.685 34.258 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 18.762 -4.510 33.798 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 19.331 -4.758 35.179 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 22.537 -3.710 30.517 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 22.112 -2.901 30.234 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 23.442 -3.625 30.215 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 21.495 -3.121 26.130 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 21.276 -4.037 26.299 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 22.319 -2.981 26.596 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 27.541 -16.987 26.123 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 26.866 -17.616 26.378 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 28.105 -17.471 25.520 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 24.447 -18.426 23.758 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 25.321 -18.038 23.728 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 24.311 -18.641 24.681 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 30.004 -18.396 25.407 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 30.080 -18.301 24.458 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 29.728 -19.304 25.536 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 31.357 -18.370 21.100 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 30.654 -17.756 20.890 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 30.912 -19.208 21.231 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 21.798 -18.488 34.998 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 22.697 -18.762 34.813 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 21.412 -19.231 35.462 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 23.876 -15.227 36.249 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 23.445 -15.672 36.979 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 23.158 -14.855 35.737 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 18.393 -14.739 38.725 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 18.867 -14.148 38.140 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 17.675 -14.208 39.072 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 22.494 -12.449 37.632 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 21.952 -12.829 36.941 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 23.328 -12.255 37.203 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 19.084 -10.209 37.329 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 19.700 -9.582 37.708 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 18.222 -9.893 37.600 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 25.109 -5.119 35.855 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 25.348 -5.867 35.307 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 24.840 -5.507 36.687 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 20.499 -8.296 38.821 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 19.813 -7.944 39.388 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 21.022 -7.533 38.575 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 21.115 -5.682 37.718 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 21.707 -4.983 37.994 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 21.574 -6.115 36.999 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 19.431 -13.018 36.834 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 19.386 -12.079 37.013 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 18.543 -13.254 36.564 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 22.706 -7.529 36.084 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 22.770 -8.323 36.615 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 23.359 -7.648 35.395 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 23.855 -9.557 38.390 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 23.396 -10.041 39.076 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 24.110 -10.225 37.754 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 24.926 -11.314 36.653 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 24.746 -11.468 35.725 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 25.877 -11.206 36.697 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 18.392 -5.987 37.137 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 19.306 -5.908 37.410 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 18.399 -6.674 36.470 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 17.427 -16.598 40.626 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 16.502 -16.389 40.496 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 17.881 -16.114 39.936 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 18.704 -18.555 38.604 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 19.143 -17.944 38.013 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 18.070 -18.017 39.078 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 20.565 -16.639 37.047 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 21.056 -17.269 36.519 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 21.188 -16.343 37.710 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 24.924 -0.333 -4.144 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 25.636 -0.973 -4.158 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 24.823 -0.066 -5.058 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 25.277 1.350 -2.090 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 25.146 0.874 -2.911 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 24.678 2.094 -2.146 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 17.391 0.996 -7.598 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 16.726 0.750 -6.955 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 16.948 1.618 -8.175 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 19.825 1.017 -4.250 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 19.459 0.252 -3.807 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 20.738 1.046 -3.963 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 21.798 0.368 -2.714 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 22.697 0.094 -2.899 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 21.412 -0.375 -2.250 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 17.781 6.639 3.987 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 17.333 7.485 3.969 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 17.220 6.059 3.472 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 18.491 8.801 6.113 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 18.705 8.031 6.640 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 19.229 8.890 5.510 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 22.564 3.842 6.472 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 22.607 4.702 6.054 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 22.106 3.290 5.839 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 19.184 6.239 7.234 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 19.838 5.689 7.666 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 19.208 5.965 6.318 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 21.374 2.760 10.546 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 21.155 3.290 9.780 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 20.706 2.987 11.194 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 20.968 4.652 8.499 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 21.581 5.285 8.872 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 21.480 4.180 7.842 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 25.400 0.066 7.999 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 25.283 -0.883 7.945 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 24.545 0.398 8.272 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 22.669 0.969 8.777 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 21.808 0.882 8.369 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 22.647 1.825 9.204 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 22.760 5.935 9.872 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 22.118 5.894 10.581 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 22.797 6.861 9.634 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 22.757 6.156 4.784 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 21.864 5.815 4.725 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 23.208 5.779 4.028 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 18.393 4.117 1.013 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 18.867 4.708 0.428 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 17.675 4.648 1.360 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 25.339 3.583 5.870 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 24.428 3.640 6.159 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 25.844 3.523 6.681 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 20.167 5.212 4.697 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 19.278 5.312 4.357 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 20.463 4.370 4.351 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 23.820 5.212 2.353 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 24.752 5.341 2.531 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 23.605 5.882 1.704 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 19.596 3.481 12.498 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 18.703 3.820 12.431 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 19.497 2.626 12.916 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 27.199 1.683 4.258 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 26.852 2.301 4.903 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 27.857 2.184 3.777 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 22.856 2.746 0.946 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 22.773 3.635 1.292 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 23.746 2.481 1.177 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 19.431 5.838 -0.878 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 19.386 6.777 -0.699 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 18.543 5.602 -1.148 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 17.114 6.000 8.859 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 17.606 5.779 8.069 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 17.476 6.841 9.140 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 17.391 0.996 11.258 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 16.726 0.750 11.901 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 16.948 1.618 10.681 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 24.447 0.430 4.902 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 25.321 0.818 4.872 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 24.311 0.215 5.825 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 20.565 2.217 -0.665 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 21.056 1.587 -1.193 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 21.188 2.513 -0.002 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 25.591 2.510 1.792 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 25.769 1.864 2.475 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 25.537 3.344 2.259 0.00 0.00 WAT1 END