REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.903 2.028 -6.837 1.00 25.40 ATOM 2 CB MET 1 1.483 0.854 -5.145 1.00 4.24 ATOM 3 HB1 MET 1 2.511 1.182 -5.207 1.00 38.39 ATOM 4 HB2 MET 1 1.388 -0.078 -5.689 1.00 43.33 ATOM 5 CG MET 1 1.127 0.587 -3.691 1.00 75.54 ATOM 6 HG1 MET 1 1.405 -0.431 -3.460 1.00 38.39 ATOM 7 HG2 MET 1 0.066 0.702 -3.530 1.00 1.02 ATOM 8 SD MET 1 1.998 1.677 -2.550 1.00 52.11 ATOM 9 CE MET 1 1.465 1.013 -0.974 1.00 41.12 ATOM 10 HE1 MET 1 0.390 1.080 -0.900 1.00 43.53 ATOM 11 HE2 MET 1 1.917 1.579 -0.173 1.00 21.30 ATOM 12 HE3 MET 1 1.767 -0.021 -0.898 1.00 13.30 ATOM 13 C MET 1 -0.861 1.429 -5.801 1.00 73.31 ATOM 14 O MET 1 -1.708 2.009 -5.123 1.00 75.42 ATOM 15 N MET 1 0.722 3.186 -5.134 1.00 32.12 ATOM 16 HT1 MET 1 0.284 3.932 -5.712 1.00 38.39 ATOM 17 HT2 MET 1 1.726 3.430 -4.993 1.00 38.39 ATOM 18 HT3 MET 1 0.246 3.172 -4.208 1.00 38.39 ATOM 19 CA MET 1 0.589 1.901 -5.811 1.00 50.32 ATOM 20 N GLY 2 -1.140 0.372 -6.558 1.00 73.22 ATOM 21 HN GLY 2 -0.422 -0.050 -7.089 1.00 38.39 ATOM 22 CA GLY 2 -2.489 -0.160 -6.622 1.00 11.21 ATOM 23 HA1 GLY 2 -3.089 0.496 -7.236 1.00 38.39 ATOM 24 HA2 GLY 2 -2.913 -0.182 -5.624 1.00 3.22 ATOM 25 C GLY 2 -2.535 -1.554 -7.215 1.00 54.24 ATOM 26 O GLY 2 -1.993 -1.796 -8.294 1.00 53.43 ATOM 27 N HIS 3 -3.183 -2.475 -6.509 1.00 12.11 ATOM 28 HN HIS 3 -3.590 -2.232 -5.644 1.00 38.39 ATOM 29 CA HIS 3 -3.297 -3.853 -6.972 1.00 72.31 ATOM 30 HA HIS 3 -3.041 -3.893 -8.026 1.00 0.03 ATOM 31 CB HIS 3 -2.326 -4.753 -6.207 1.00 1.42 ATOM 32 HB1 HIS 3 -2.471 -5.781 -6.513 1.00 38.39 ATOM 33 HB2 HIS 3 -2.524 -4.667 -5.149 1.00 75.04 ATOM 34 CG HIS 3 -0.886 -4.411 -6.436 1.00 42.03 ATOM 35 ND1 HIS 3 -0.022 -4.067 -5.418 1.00 14.13 ATOM 36 HD1 HIS 3 -0.252 -4.011 -4.467 1.00 44.23 ATOM 37 CD2 HIS 3 -0.158 -4.364 -7.577 1.00 11.44 ATOM 38 HD2 HIS 3 -0.515 -4.578 -8.575 1.00 25.22 ATOM 39 CE1 HIS 3 1.174 -3.821 -5.922 1.00 13.23 ATOM 40 HE1 HIS 3 2.049 -3.530 -5.360 1.00 64.35 ATOM 41 NE2 HIS 3 1.118 -3.994 -7.230 1.00 23.31 ATOM 42 HE2 HIS 3 1.887 -3.963 -7.837 1.00 38.39 ATOM 43 C HIS 3 -4.724 -4.367 -6.804 1.00 51.42 ATOM 44 O HIS 3 -5.239 -4.445 -5.688 1.00 54.05 ATOM 45 N HIS 4 -5.358 -4.715 -7.920 1.00 1.53 ATOM 46 HN HIS 4 -4.905 -4.626 -8.790 1.00 38.39 ATOM 47 CA HIS 4 -6.726 -5.220 -7.896 1.00 22.21 ATOM 48 HA HIS 4 -7.023 -5.390 -6.867 1.00 61.42 ATOM 49 CB HIS 4 -7.682 -4.195 -8.506 1.00 2.31 ATOM 50 HB1 HIS 4 -7.687 -3.310 -7.885 1.00 38.39 ATOM 51 HB2 HIS 4 -8.682 -4.606 -8.538 1.00 64.15 ATOM 52 CG HIS 4 -7.308 -3.779 -9.895 1.00 64.33 ATOM 53 ND1 HIS 4 -7.737 -4.448 -11.022 1.00 65.41 ATOM 54 HD1 HIS 4 -8.313 -5.241 -11.032 1.00 35.55 ATOM 55 CD2 HIS 4 -6.541 -2.755 -10.337 1.00 10.21 ATOM 56 HD2 HIS 4 -6.039 -2.020 -9.724 1.00 32.23 ATOM 57 CE1 HIS 4 -7.249 -3.855 -12.097 1.00 4.44 ATOM 58 HE1 HIS 4 -7.418 -4.160 -13.119 1.00 22.13 ATOM 59 NE2 HIS 4 -6.520 -2.824 -11.708 1.00 40.32 ATOM 60 HE2 HIS 4 -5.971 -2.266 -12.298 1.00 38.39 ATOM 61 C HIS 4 -6.830 -6.542 -8.651 1.00 24.02 ATOM 62 O HIS 4 -6.244 -6.705 -9.722 1.00 54.41 ATOM 63 N HIS 5 -7.577 -7.484 -8.085 1.00 33.12 ATOM 64 HN HIS 5 -8.022 -7.306 -7.225 1.00 38.39 ATOM 65 CA HIS 5 -7.758 -8.792 -8.705 1.00 25.23 ATOM 66 HA HIS 5 -7.252 -8.803 -9.662 1.00 20.41 ATOM 67 CB HIS 5 -7.159 -9.886 -7.820 1.00 31.02 ATOM 68 HB1 HIS 5 -7.461 -10.859 -8.190 1.00 38.39 ATOM 69 HB2 HIS 5 -7.524 -9.763 -6.812 1.00 23.04 ATOM 70 CG HIS 5 -5.662 -9.866 -7.773 1.00 32.41 ATOM 71 ND1 HIS 5 -4.882 -9.431 -8.823 1.00 60.43 ATOM 72 HD1 HIS 5 -5.206 -9.107 -9.687 1.00 25.30 ATOM 73 CD2 HIS 5 -4.802 -10.230 -6.793 1.00 33.02 ATOM 74 HD2 HIS 5 -5.067 -10.620 -5.820 1.00 31.43 ATOM 75 CE1 HIS 5 -3.607 -9.530 -8.492 1.00 41.21 ATOM 76 HE1 HIS 5 -2.769 -9.262 -9.118 1.00 44.15 ATOM 77 NE2 HIS 5 -3.531 -10.011 -7.264 1.00 73.55 ATOM 78 HE2 HIS 5 -2.708 -10.090 -6.738 1.00 38.39 ATOM 79 C HIS 5 -9.236 -9.076 -8.955 1.00 44.20 ATOM 80 O HIS 5 -10.078 -8.850 -8.085 1.00 64.02 ATOM 81 N HIS 6 -9.544 -9.571 -10.149 1.00 72.04 ATOM 82 HN HIS 6 -8.824 -9.737 -10.804 1.00 38.39 ATOM 83 CA HIS 6 -10.921 -9.885 -10.514 1.00 71.32 ATOM 84 HA HIS 6 -11.520 -8.997 -10.344 1.00 21.10 ATOM 85 CB HIS 6 -11.004 -10.273 -11.991 1.00 1.41 ATOM 86 HB1 HIS 6 -10.747 -11.319 -12.115 1.00 38.39 ATOM 87 HB2 HIS 6 -10.300 -9.673 -12.552 1.00 31.44 ATOM 88 CG HIS 6 -12.356 -10.048 -12.594 1.00 53.21 ATOM 89 ND1 HIS 6 -13.032 -8.849 -12.502 1.00 22.23 ATOM 90 HD1 HIS 6 -12.710 -8.044 -12.046 1.00 44.42 ATOM 91 CD2 HIS 6 -13.158 -10.876 -13.303 1.00 35.43 ATOM 92 HD2 HIS 6 -12.945 -11.902 -13.570 1.00 44.35 ATOM 93 CE1 HIS 6 -14.192 -8.951 -13.126 1.00 3.22 ATOM 94 HE1 HIS 6 -14.931 -8.169 -13.217 1.00 15.35 ATOM 95 NE2 HIS 6 -14.293 -10.171 -13.621 1.00 61.11 ATOM 96 HE2 HIS 6 -15.093 -10.542 -14.049 1.00 38.39 ATOM 97 C HIS 6 -11.468 -11.016 -9.648 1.00 11.10 ATOM 98 O HIS 6 -12.610 -10.964 -9.191 1.00 33.43 ATOM 99 N HIS 7 -10.646 -12.037 -9.427 1.00 43.31 ATOM 100 HN HIS 7 -9.739 -12.028 -9.815 1.00 38.39 ATOM 101 CA HIS 7 -11.048 -13.180 -8.616 1.00 25.32 ATOM 102 HA HIS 7 -12.126 -13.290 -8.671 1.00 40.44 ATOM 103 CB HIS 7 -10.405 -14.461 -9.148 1.00 64.23 ATOM 104 HB1 HIS 7 -10.690 -15.299 -8.530 1.00 38.39 ATOM 105 HB2 HIS 7 -9.330 -14.355 -9.122 1.00 12.44 ATOM 106 CG HIS 7 -10.802 -14.791 -10.554 1.00 72.40 ATOM 107 ND1 HIS 7 -12.057 -15.251 -10.893 1.00 32.21 ATOM 108 HD1 HIS 7 -12.797 -15.406 -10.270 1.00 61.10 ATOM 109 CD2 HIS 7 -10.103 -14.724 -11.711 1.00 24.31 ATOM 110 HD2 HIS 7 -9.077 -14.401 -11.822 1.00 4.42 ATOM 111 CE1 HIS 7 -12.112 -15.454 -12.197 1.00 61.41 ATOM 112 HE1 HIS 7 -12.971 -15.813 -12.745 1.00 34.34 ATOM 113 NE2 HIS 7 -10.939 -15.142 -12.717 1.00 44.21 ATOM 114 HE2 HIS 7 -10.736 -15.111 -13.675 1.00 38.39 ATOM 115 C HIS 7 -10.661 -12.972 -7.155 1.00 21.44 ATOM 116 O HIS 7 -10.147 -11.917 -6.782 1.00 31.23 ATOM 117 N HIS 8 -10.912 -13.985 -6.331 1.00 70.31 ATOM 118 HN HIS 8 -11.335 -14.799 -6.680 1.00 38.39 ATOM 119 CA HIS 8 -10.590 -13.913 -4.910 1.00 73.22 ATOM 120 HA HIS 8 -10.567 -12.872 -4.607 1.00 45.41 ATOM 121 CB HIS 8 -11.662 -14.627 -4.086 1.00 61.52 ATOM 122 HB1 HIS 8 -12.610 -14.133 -4.243 1.00 38.39 ATOM 123 HB2 HIS 8 -11.406 -14.572 -3.037 1.00 74.24 ATOM 124 CG HIS 8 -11.829 -16.072 -4.445 1.00 32.04 ATOM 125 ND1 HIS 8 -11.012 -17.069 -3.955 1.00 4.51 ATOM 126 HD1 HIS 8 -10.259 -16.942 -3.340 1.00 12.11 ATOM 127 CD2 HIS 8 -12.728 -16.686 -5.249 1.00 33.33 ATOM 128 HD2 HIS 8 -13.524 -16.208 -5.802 1.00 52.43 ATOM 129 CE1 HIS 8 -11.399 -18.233 -4.444 1.00 33.04 ATOM 130 HE1 HIS 8 -10.943 -19.189 -4.235 1.00 12.43 ATOM 131 NE2 HIS 8 -12.440 -18.029 -5.231 1.00 43.33 ATOM 132 HE2 HIS 8 -12.983 -18.733 -5.643 1.00 38.39 ATOM 133 C HIS 8 -9.223 -14.529 -4.631 1.00 4.10 ATOM 134 O HIS 8 -8.709 -15.312 -5.429 1.00 71.45 ATOM 135 N SER 9 -8.638 -14.168 -3.493 1.00 63.21 ATOM 136 HN SER 9 -9.091 -13.526 -2.896 1.00 38.39 ATOM 137 CA SER 9 -7.327 -14.682 -3.111 1.00 15.41 ATOM 138 HA SER 9 -7.165 -15.637 -3.597 1.00 20.40 ATOM 139 CB SER 9 -6.228 -13.714 -3.553 1.00 52.12 ATOM 140 HB1 SER 9 -5.310 -13.910 -3.014 1.00 38.39 ATOM 141 HB2 SER 9 -6.542 -12.700 -3.357 1.00 12.10 ATOM 142 OG SER 9 -5.963 -13.842 -4.939 1.00 53.03 ATOM 143 HG SER 9 -5.395 -14.602 -5.091 1.00 22.34 ATOM 144 C SER 9 -7.249 -14.903 -1.603 1.00 75.24 ATOM 145 O SER 9 -8.190 -14.597 -0.870 1.00 31.42 ATOM 146 N HIS 10 -6.121 -15.437 -1.148 1.00 23.32 ATOM 147 HN HIS 10 -5.409 -15.686 -1.783 1.00 38.39 ATOM 148 CA HIS 10 -5.918 -15.700 0.273 1.00 71.14 ATOM 149 HA HIS 10 -6.555 -15.028 0.833 1.00 1.42 ATOM 150 CB HIS 10 -6.307 -17.140 0.607 1.00 34.31 ATOM 151 HB1 HIS 10 -7.384 -17.210 0.639 1.00 38.39 ATOM 152 HB2 HIS 10 -5.910 -17.424 1.570 1.00 31.00 ATOM 153 CG HIS 10 -5.818 -18.141 -0.394 1.00 5.01 ATOM 154 ND1 HIS 10 -6.610 -18.646 -1.403 1.00 41.32 ATOM 155 HD1 HIS 10 -7.548 -18.412 -1.566 1.00 51.11 ATOM 156 CD2 HIS 10 -4.607 -18.730 -0.538 1.00 11.52 ATOM 157 HD2 HIS 10 -3.737 -18.568 0.083 1.00 1.10 ATOM 158 CE1 HIS 10 -5.909 -19.503 -2.124 1.00 3.33 ATOM 159 HE1 HIS 10 -6.271 -20.053 -2.980 1.00 65.34 ATOM 160 NE2 HIS 10 -4.690 -19.571 -1.620 1.00 23.34 ATOM 161 HE2 HIS 10 -3.993 -20.196 -1.910 1.00 38.39 ATOM 162 C HIS 10 -4.467 -15.447 0.670 1.00 20.43 ATOM 163 O HIS 10 -3.557 -15.478 -0.158 1.00 25.40 ATOM 164 N PRO 11 -4.244 -15.190 1.968 1.00 75.32 ATOM 165 CA PRO 11 -2.906 -14.927 2.504 1.00 0.04 ATOM 166 HA PRO 11 -2.416 -14.129 1.962 1.00 42.42 ATOM 167 CB PRO 11 -3.182 -14.474 3.940 1.00 13.12 ATOM 168 HB1 PRO 11 -3.247 -13.397 3.968 1.00 38.39 ATOM 169 HB2 PRO 11 -2.399 -14.804 4.608 1.00 20.22 ATOM 170 CG PRO 11 -4.490 -15.096 4.289 1.00 55.25 ATOM 171 HG1 PRO 11 -4.999 -14.493 5.026 1.00 38.39 ATOM 172 HG2 PRO 11 -4.332 -16.096 4.665 1.00 14.02 ATOM 173 CD PRO 11 -5.282 -15.137 3.011 1.00 74.50 ATOM 174 HD1 PRO 11 -5.882 -14.244 2.912 1.00 38.39 ATOM 175 HD2 PRO 11 -5.906 -16.010 3.001 1.00 14.22 ATOM 176 C PRO 11 -2.024 -16.171 2.499 1.00 51.13 ATOM 177 O PRO 11 -2.504 -17.284 2.708 1.00 21.13 ATOM 178 N ASN 12 -0.732 -15.974 2.258 1.00 40.41 ATOM 179 HN ASN 12 -0.406 -15.055 2.101 1.00 38.39 ATOM 180 CA ASN 12 0.217 -17.080 2.225 1.00 21.40 ATOM 181 HA ASN 12 -0.132 -17.796 1.490 1.00 12.01 ATOM 182 CB ASN 12 1.603 -16.579 1.814 1.00 70.11 ATOM 183 HB1 ASN 12 2.027 -15.987 2.616 1.00 38.39 ATOM 184 HB2 ASN 12 1.503 -15.958 0.935 1.00 41.11 ATOM 185 CG ASN 12 2.554 -17.714 1.483 1.00 14.44 ATOM 186 OD1 ASN 12 2.144 -18.749 0.958 1.00 54.41 ATOM 187 ND2 ASN 12 3.831 -17.523 1.791 1.00 23.31 ATOM 188 HD21 ASN 12 4.101 -16.675 2.211 1.00 12.43 ATOM 189 HD22 ASN 12 4.462 -18.244 1.585 1.00 74.22 ATOM 190 C ASN 12 0.296 -17.770 3.584 1.00 72.03 ATOM 191 O ASN 12 -0.124 -17.214 4.598 1.00 41.33 ATOM 192 N GLU 13 0.837 -18.984 3.595 1.00 60.25 ATOM 193 HN GLU 13 1.109 -19.403 2.747 1.00 38.39 ATOM 194 CA GLU 13 0.970 -19.749 4.829 1.00 64.34 ATOM 195 HA GLU 13 -0.018 -19.999 5.173 1.00 4.33 ATOM 196 CB GLU 13 1.755 -21.038 4.574 1.00 43.23 ATOM 197 HB1 GLU 13 2.815 -20.810 4.535 1.00 38.39 ATOM 198 HB2 GLU 13 1.454 -21.442 3.616 1.00 20.45 ATOM 199 CG GLU 13 1.519 -22.112 5.622 1.00 31.01 ATOM 200 HG1 GLU 13 0.608 -22.638 5.378 1.00 38.39 ATOM 201 HG2 GLU 13 1.415 -21.648 6.595 1.00 24.15 ATOM 202 CD GLU 13 2.651 -23.118 5.692 1.00 62.21 ATOM 203 OE1 GLU 13 2.808 -23.903 4.734 1.00 43.04 ATOM 204 OE2 GLU 13 3.381 -23.120 6.706 1.00 75.12 ATOM 205 C GLU 13 1.664 -18.924 5.909 1.00 53.45 ATOM 206 O GLU 13 1.198 -18.854 7.045 1.00 12.12 ATOM 207 N GLU 14 2.780 -18.301 5.543 1.00 10.45 ATOM 208 HN GLU 14 3.105 -18.393 4.615 1.00 38.39 ATOM 209 CA GLU 14 3.538 -17.481 6.481 1.00 22.14 ATOM 210 HA GLU 14 3.705 -18.060 7.382 1.00 62.51 ATOM 211 CB GLU 14 4.894 -17.102 5.881 1.00 12.14 ATOM 212 HB1 GLU 14 5.392 -16.388 6.527 1.00 38.39 ATOM 213 HB2 GLU 14 4.720 -16.634 4.922 1.00 30.22 ATOM 214 CG GLU 14 5.814 -18.290 5.658 1.00 42.12 ATOM 215 HG1 GLU 14 6.538 -18.024 4.902 1.00 38.39 ATOM 216 HG2 GLU 14 5.236 -19.137 5.313 1.00 51.43 ATOM 217 CD GLU 14 6.562 -18.693 6.914 1.00 42.12 ATOM 218 OE1 GLU 14 6.313 -18.083 7.975 1.00 64.14 ATOM 219 OE2 GLU 14 7.397 -19.619 6.835 1.00 14.12 ATOM 220 C GLU 14 2.763 -16.220 6.852 1.00 20.01 ATOM 221 O GLU 14 2.925 -15.678 7.945 1.00 42.32 ATOM 222 N ALA 15 1.921 -15.759 5.933 1.00 13.14 ATOM 223 HN ALA 15 1.858 -16.206 5.064 1.00 38.39 ATOM 224 CA ALA 15 1.119 -14.563 6.163 1.00 23.32 ATOM 225 HA ALA 15 1.782 -13.761 6.466 1.00 62.41 ATOM 226 CB ALA 15 0.429 -14.135 4.877 1.00 73.43 ATOM 227 HB1 ALA 15 -0.079 -13.194 5.035 1.00 72.44 ATOM 228 HB2 ALA 15 -0.285 -14.880 4.577 1.00 20.34 ATOM 229 HB3 ALA 15 1.168 -14.014 4.099 1.00 74.10 ATOM 230 C ALA 15 0.092 -14.795 7.266 1.00 55.13 ATOM 231 O ALA 15 -0.027 -13.996 8.195 1.00 42.23 ATOM 232 N ARG 16 -0.650 -15.892 7.156 1.00 20.30 ATOM 233 HN ARG 16 -0.515 -16.472 6.375 1.00 38.39 ATOM 234 CA ARG 16 -1.669 -16.227 8.143 1.00 33.41 ATOM 235 HA ARG 16 -2.307 -15.363 8.280 1.00 22.23 ATOM 236 CB ARG 16 -2.525 -17.394 7.647 1.00 33.45 ATOM 237 HB1 ARG 16 -3.117 -17.052 6.810 1.00 38.39 ATOM 238 HB2 ARG 16 -3.195 -17.704 8.441 1.00 44.41 ATOM 239 CG ARG 16 -1.713 -18.594 7.189 1.00 64.21 ATOM 240 HG1 ARG 16 -0.961 -18.819 7.922 1.00 38.39 ATOM 241 HG2 ARG 16 -1.252 -18.381 6.248 1.00 72.32 ATOM 242 CD ARG 16 -2.585 -19.829 7.026 1.00 12.14 ATOM 243 HD1 ARG 16 -2.864 -20.174 8.006 1.00 38.39 ATOM 244 HD2 ARG 16 -2.023 -20.605 6.529 1.00 3.12 ATOM 245 NE ARG 16 -3.810 -19.540 6.285 1.00 42.01 ATOM 246 HE ARG 16 -4.629 -19.395 6.807 1.00 14.32 ATOM 247 CZ ARG 16 -3.866 -19.465 4.960 1.00 52.02 ATOM 248 NH1 ARG 16 -2.773 -19.657 4.235 1.00 71.05 ATOM 249 HH11 ARG 16 -1.901 -19.856 4.655 1.00 50.55 ATOM 250 HH12 ARG 16 -2.827 -19.600 3.236 1.00 75.22 ATOM 251 NH2 ARG 16 -5.018 -19.198 4.358 1.00 50.24 ATOM 252 HH21 ARG 16 -5.846 -19.051 4.901 1.00 12.31 ATOM 253 HH22 ARG 16 -5.064 -19.142 3.358 1.00 74.44 ATOM 254 C ARG 16 -1.032 -16.583 9.483 1.00 32.12 ATOM 255 O ARG 16 -1.593 -16.303 10.543 1.00 34.14 ATOM 256 N LEU 17 0.142 -17.202 9.428 1.00 0.24 ATOM 257 HN LEU 17 0.546 -17.408 8.553 1.00 38.39 ATOM 258 CA LEU 17 0.856 -17.597 10.638 1.00 40.43 ATOM 259 HA LEU 17 0.216 -18.260 11.204 1.00 4.42 ATOM 260 CB LEU 17 2.141 -18.342 10.274 1.00 22.44 ATOM 261 HB1 LEU 17 2.685 -17.737 9.561 1.00 38.39 ATOM 262 HB2 LEU 17 1.860 -19.268 9.790 1.00 72.52 ATOM 263 CG LEU 17 3.079 -18.669 11.437 1.00 61.31 ATOM 264 HG LEU 17 3.440 -17.751 11.876 1.00 14.44 ATOM 265 CD1 LEU 17 2.342 -19.449 12.515 1.00 70.15 ATOM 266 HD11 LEU 17 1.956 -20.370 12.101 1.00 30.20 ATOM 267 HD12 LEU 17 1.527 -18.862 12.908 1.00 2.35 ATOM 268 HD13 LEU 17 3.026 -19.677 13.314 1.00 21.20 ATOM 269 CD2 LEU 17 4.288 -19.450 10.943 1.00 22.54 ATOM 270 HD21 LEU 17 3.962 -20.367 10.472 1.00 20.31 ATOM 271 HD22 LEU 17 4.936 -19.687 11.774 1.00 20.42 ATOM 272 HD23 LEU 17 4.834 -18.854 10.225 1.00 3.14 ATOM 273 C LEU 17 1.186 -16.380 11.497 1.00 60.31 ATOM 274 O LEU 17 1.187 -16.458 12.726 1.00 50.54 ATOM 275 N ASP 18 1.464 -15.258 10.842 1.00 34.14 ATOM 276 HN ASP 18 1.472 -15.257 9.856 1.00 38.39 ATOM 277 CA ASP 18 1.792 -14.024 11.546 1.00 11.32 ATOM 278 HA ASP 18 2.715 -14.189 12.087 1.00 12.40 ATOM 279 CB ASP 18 1.993 -12.881 10.549 1.00 23.34 ATOM 280 HB1 ASP 18 1.042 -12.611 10.108 1.00 38.39 ATOM 281 HB2 ASP 18 2.662 -13.212 9.768 1.00 42.31 ATOM 282 CG ASP 18 2.595 -11.649 11.195 1.00 3.12 ATOM 283 OD1 ASP 18 3.510 -11.804 12.031 1.00 3.43 ATOM 284 OD2 ASP 18 2.152 -10.530 10.864 1.00 42.40 ATOM 285 C ASP 18 0.696 -13.659 12.543 1.00 42.52 ATOM 286 O ASP 18 0.980 -13.238 13.665 1.00 35.20 ATOM 287 N ILE 19 -0.555 -13.821 12.125 1.00 44.21 ATOM 288 HN ILE 19 -0.717 -14.184 11.225 1.00 38.39 ATOM 289 CA ILE 19 -1.692 -13.508 12.981 1.00 71.21 ATOM 290 HA ILE 19 -1.635 -12.458 13.245 1.00 72.44 ATOM 291 CB ILE 19 -3.028 -13.753 12.254 1.00 3.02 ATOM 292 HB ILE 19 -3.087 -14.801 12.008 1.00 31.32 ATOM 293 CG1 ILE 19 -3.088 -12.934 10.963 1.00 73.41 ATOM 294 HG11 ILE 19 -2.178 -13.060 10.397 1.00 38.39 ATOM 295 HG12 ILE 19 -3.205 -11.887 11.203 1.00 30.24 ATOM 296 CG2 ILE 19 -4.197 -13.405 13.163 1.00 21.44 ATOM 297 HG21 ILE 19 -4.233 -14.094 13.986 1.00 71.20 ATOM 298 HG22 ILE 19 -5.126 -13.475 12.616 1.00 41.43 ATOM 299 HG23 ILE 19 -4.082 -12.398 13.541 1.00 35.12 ATOM 300 CD1 ILE 19 -4.231 -13.326 10.052 1.00 23.21 ATOM 301 HD11 ILE 19 -4.124 -12.819 9.105 1.00 12.34 ATOM 302 HD12 ILE 19 -5.164 -13.038 10.507 1.00 14.04 ATOM 303 HD13 ILE 19 -4.222 -14.395 9.890 1.00 3.21 ATOM 304 C ILE 19 -1.662 -14.338 14.260 1.00 74.43 ATOM 305 O ILE 19 -1.817 -13.808 15.361 1.00 63.51 ATOM 306 N LEU 20 -1.462 -15.643 14.107 1.00 45.40 ATOM 307 HN LEU 20 -1.345 -16.011 13.198 1.00 38.39 ATOM 308 CA LEU 20 -1.409 -16.548 15.250 1.00 52.31 ATOM 309 HA LEU 20 -2.287 -16.376 15.861 1.00 72.00 ATOM 310 CB LEU 20 -1.413 -18.002 14.775 1.00 43.32 ATOM 311 HB1 LEU 20 -1.017 -18.623 15.573 1.00 38.39 ATOM 312 HB2 LEU 20 -0.724 -18.071 13.941 1.00 45.23 ATOM 313 CG LEU 20 -2.769 -18.566 14.351 1.00 51.14 ATOM 314 HG LEU 20 -3.489 -17.772 14.315 1.00 33.13 ATOM 315 CD1 LEU 20 -2.680 -19.184 12.964 1.00 52.32 ATOM 316 HD11 LEU 20 -2.357 -18.435 12.254 1.00 23.50 ATOM 317 HD12 LEU 20 -3.652 -19.556 12.670 1.00 22.43 ATOM 318 HD13 LEU 20 -1.970 -20.000 12.972 1.00 22.34 ATOM 319 CD2 LEU 20 -3.260 -19.591 15.363 1.00 53.24 ATOM 320 HD21 LEU 20 -2.561 -20.415 15.418 1.00 63.14 ATOM 321 HD22 LEU 20 -4.230 -19.963 15.062 1.00 10.12 ATOM 322 HD23 LEU 20 -3.344 -19.128 16.336 1.00 61.21 ATOM 323 C LEU 20 -0.170 -16.281 16.099 1.00 35.22 ATOM 324 O LEU 20 -0.208 -16.394 17.325 1.00 72.14 ATOM 325 N LYS 21 0.927 -15.925 15.440 1.00 11.12 ATOM 326 HN LYS 21 0.907 -15.864 14.457 1.00 38.39 ATOM 327 CA LYS 21 2.177 -15.638 16.133 1.00 22.34 ATOM 328 HA LYS 21 2.430 -16.495 16.743 1.00 1.31 ATOM 329 CB LYS 21 3.299 -15.389 15.123 1.00 61.22 ATOM 330 HB1 LYS 21 4.081 -14.803 15.596 1.00 38.39 ATOM 331 HB2 LYS 21 2.904 -14.829 14.287 1.00 1.23 ATOM 332 CG LYS 21 3.928 -16.663 14.586 1.00 71.32 ATOM 333 HG1 LYS 21 3.209 -17.172 13.964 1.00 38.39 ATOM 334 HG2 LYS 21 4.194 -17.298 15.423 1.00 34.32 ATOM 335 CD LYS 21 5.173 -16.368 13.767 1.00 61.34 ATOM 336 HD1 LYS 21 5.771 -15.618 14.272 1.00 38.39 ATOM 337 HD2 LYS 21 4.872 -15.995 12.800 1.00 44.23 ATOM 338 CE LYS 21 6.018 -17.617 13.567 1.00 73.32 ATOM 339 HE1 LYS 21 6.575 -17.509 12.648 1.00 38.39 ATOM 340 HE2 LYS 21 5.377 -18.484 13.494 1.00 12.24 ATOM 341 NZ LYS 21 6.979 -17.822 14.686 1.00 51.23 ATOM 342 HZ1 LYS 21 6.468 -17.927 15.588 1.00 41.31 ATOM 343 HZ2 LYS 21 7.628 -17.011 14.760 1.00 74.23 ATOM 344 HZ3 LYS 21 7.540 -18.682 14.518 1.00 72.23 ATOM 345 C LYS 21 2.026 -14.428 17.050 1.00 62.23 ATOM 346 O LYS 21 2.498 -14.437 18.187 1.00 3.30 ATOM 347 N ILE 22 1.365 -13.391 16.548 1.00 50.30 ATOM 348 HN ILE 22 1.014 -13.437 15.627 1.00 38.39 ATOM 349 CA ILE 22 1.150 -12.175 17.323 1.00 21.11 ATOM 350 HA ILE 22 2.106 -11.834 17.698 1.00 25.25 ATOM 351 CB ILE 22 0.547 -11.054 16.456 1.00 34.15 ATOM 352 HB ILE 22 -0.403 -11.404 16.071 1.00 54.10 ATOM 353 CG1 ILE 22 1.480 -10.722 15.291 1.00 63.34 ATOM 354 HG11 ILE 22 2.076 -11.582 15.026 1.00 38.39 ATOM 355 HG12 ILE 22 2.150 -9.920 15.573 1.00 25.11 ATOM 356 CG2 ILE 22 0.283 -9.816 17.300 1.00 3.13 ATOM 357 HG21 ILE 22 1.172 -9.553 17.858 1.00 42.21 ATOM 358 HG22 ILE 22 -0.531 -10.002 17.984 1.00 12.32 ATOM 359 HG23 ILE 22 0.012 -8.988 16.657 1.00 0.31 ATOM 360 CD1 ILE 22 0.752 -10.282 14.040 1.00 43.11 ATOM 361 HD11 ILE 22 0.269 -9.333 14.222 1.00 25.12 ATOM 362 HD12 ILE 22 0.007 -11.016 13.771 1.00 25.34 ATOM 363 HD13 ILE 22 1.459 -10.174 13.233 1.00 73.43 ATOM 364 C ILE 22 0.230 -12.436 18.511 1.00 54.25 ATOM 365 O ILE 22 0.546 -12.079 19.646 1.00 43.33 ATOM 366 N HIS 23 -0.911 -13.062 18.241 1.00 34.54 ATOM 367 HN HIS 23 -1.110 -13.323 17.310 1.00 38.39 ATOM 368 CA HIS 23 -1.878 -13.374 19.288 1.00 10.14 ATOM 369 HA HIS 23 -2.135 -12.452 19.796 1.00 14.20 ATOM 370 CB HIS 23 -3.143 -13.980 18.680 1.00 21.41 ATOM 371 HB1 HIS 23 -3.726 -14.469 19.452 1.00 38.39 ATOM 372 HB2 HIS 23 -2.849 -14.708 17.943 1.00 22.22 ATOM 373 CG HIS 23 -4.028 -12.974 18.012 1.00 14.13 ATOM 374 ND1 HIS 23 -4.454 -11.818 18.632 1.00 52.25 ATOM 375 HD1 HIS 23 -4.231 -11.542 19.545 1.00 71.33 ATOM 376 CD2 HIS 23 -4.567 -12.954 16.771 1.00 73.42 ATOM 377 HD2 HIS 23 -4.451 -13.712 16.015 1.00 11.43 ATOM 378 CE1 HIS 23 -5.218 -11.132 17.800 1.00 12.45 ATOM 379 HE1 HIS 23 -5.692 -10.185 18.013 1.00 61.40 ATOM 380 NE2 HIS 23 -5.302 -11.799 16.664 1.00 33.41 ATOM 381 HE2 HIS 23 -5.884 -11.562 15.912 1.00 38.39 ATOM 382 C HIS 23 -1.280 -14.335 20.311 1.00 10.05 ATOM 383 O HIS 23 -1.530 -14.215 21.511 1.00 75.03 ATOM 384 N SER 24 -0.489 -15.288 19.829 1.00 34.41 ATOM 385 HN SER 24 -0.323 -15.340 18.859 1.00 38.39 ATOM 386 CA SER 24 0.140 -16.273 20.701 1.00 5.11 ATOM 387 HA SER 24 -0.603 -16.635 21.401 1.00 32.21 ATOM 388 CB SER 24 0.655 -17.457 19.881 1.00 75.45 ATOM 389 HB1 SER 24 -0.107 -17.771 19.188 1.00 38.39 ATOM 390 HB2 SER 24 0.874 -18.268 20.536 1.00 23.33 ATOM 391 OG SER 24 1.821 -17.108 19.156 1.00 51.33 ATOM 392 HG SER 24 2.601 -17.248 19.694 1.00 31.32 ATOM 393 C SER 24 1.289 -15.647 21.487 1.00 70.15 ATOM 394 O SER 24 1.568 -16.041 22.619 1.00 42.00 ATOM 395 N ARG 25 1.951 -14.670 20.876 1.00 3.33 ATOM 396 HN ARG 25 1.701 -14.409 19.959 1.00 38.39 ATOM 397 CA ARG 25 3.070 -13.989 21.517 1.00 65.42 ATOM 398 HA ARG 25 3.843 -14.724 21.706 1.00 61.12 ATOM 399 CB ARG 25 3.621 -12.894 20.601 1.00 35.13 ATOM 400 HB1 ARG 25 4.002 -12.075 21.201 1.00 38.39 ATOM 401 HB2 ARG 25 2.822 -12.519 19.983 1.00 64.03 ATOM 402 CG ARG 25 4.753 -13.363 19.703 1.00 25.11 ATOM 403 HG1 ARG 25 4.578 -14.384 19.392 1.00 38.39 ATOM 404 HG2 ARG 25 5.677 -13.313 20.258 1.00 72.20 ATOM 405 CD ARG 25 4.883 -12.488 18.466 1.00 13.24 ATOM 406 HD1 ARG 25 4.884 -11.450 18.779 1.00 38.39 ATOM 407 HD2 ARG 25 4.045 -12.667 17.818 1.00 25.35 ATOM 408 NE ARG 25 6.112 -12.762 17.728 1.00 44.02 ATOM 409 HE ARG 25 6.604 -13.589 17.942 1.00 23.50 ATOM 410 CZ ARG 25 6.597 -11.962 16.785 1.00 5.41 ATOM 411 NH1 ARG 25 5.960 -10.843 16.468 1.00 3.13 ATOM 412 HH11 ARG 25 5.112 -10.578 16.920 1.00 31.42 ATOM 413 HH12 ARG 25 6.337 -10.245 15.757 1.00 63.31 ATOM 414 NH2 ARG 25 7.723 -12.279 16.158 1.00 74.54 ATOM 415 HH21 ARG 25 8.211 -13.122 16.394 1.00 52.11 ATOM 416 HH22 ARG 25 8.090 -11.677 15.446 1.00 13.33 ATOM 417 C ARG 25 2.647 -13.386 22.853 1.00 42.43 ATOM 418 O ARG 25 3.468 -13.201 23.751 1.00 5.12 ATOM 419 N LYS 26 1.360 -13.079 22.976 1.00 22.33 ATOM 420 HN LYS 26 0.746 -13.206 22.219 1.00 38.39 ATOM 421 CA LYS 26 0.826 -12.497 24.202 1.00 61.03 ATOM 422 HA LYS 26 1.623 -11.969 24.714 1.00 1.23 ATOM 423 CB LYS 26 -0.302 -11.516 23.875 1.00 42.30 ATOM 424 HB1 LYS 26 -1.085 -11.616 24.619 1.00 38.39 ATOM 425 HB2 LYS 26 -0.721 -11.765 22.908 1.00 72.10 ATOM 426 CG LYS 26 0.148 -10.066 23.830 1.00 52.44 ATOM 427 HG1 LYS 26 0.169 -9.753 22.796 1.00 38.39 ATOM 428 HG2 LYS 26 1.144 -9.970 24.241 1.00 63.13 ATOM 429 CD LYS 26 -0.813 -9.160 24.582 1.00 70.03 ATOM 430 HD1 LYS 26 -1.786 -9.626 24.674 1.00 38.39 ATOM 431 HD2 LYS 26 -0.916 -8.240 24.027 1.00 41.01 ATOM 432 CE LYS 26 -0.291 -8.824 25.970 1.00 21.13 ATOM 433 HE1 LYS 26 0.007 -9.735 26.472 1.00 38.39 ATOM 434 HE2 LYS 26 -1.086 -8.354 26.530 1.00 24.31 ATOM 435 NZ LYS 26 0.871 -7.894 25.916 1.00 32.11 ATOM 436 HZ1 LYS 26 1.167 -7.643 26.881 1.00 31.13 ATOM 437 HZ2 LYS 26 0.615 -7.020 25.411 1.00 43.43 ATOM 438 HZ3 LYS 26 1.674 -8.339 25.429 1.00 0.43 ATOM 439 C LYS 26 0.313 -13.583 25.141 1.00 33.35 ATOM 440 O LYS 26 0.332 -13.421 26.361 1.00 21.53 ATOM 441 N MET 27 -0.144 -14.690 24.565 1.00 35.24 ATOM 442 HN MET 27 -0.158 -14.764 23.587 1.00 38.39 ATOM 443 CA MET 27 -0.660 -15.804 25.353 1.00 73.01 ATOM 444 HA MET 27 -1.106 -15.413 26.261 1.00 64.33 ATOM 445 CB MET 27 -1.735 -16.557 24.567 1.00 31.51 ATOM 446 HB1 MET 27 -2.004 -17.465 25.086 1.00 38.39 ATOM 447 HB2 MET 27 -1.320 -16.821 23.605 1.00 52.01 ATOM 448 CG MET 27 -3.010 -15.756 24.359 1.00 42.11 ATOM 449 HG1 MET 27 -2.775 -14.699 24.337 1.00 38.39 ATOM 450 HG2 MET 27 -3.680 -15.954 25.182 1.00 11.43 ATOM 451 SD MET 27 -3.853 -16.179 22.822 1.00 33.15 ATOM 452 CE MET 27 -3.769 -17.968 22.872 1.00 53.43 ATOM 453 HE1 MET 27 -2.754 -18.288 22.689 1.00 45.22 ATOM 454 HE2 MET 27 -4.416 -18.380 22.113 1.00 12.43 ATOM 455 HE3 MET 27 -4.087 -18.316 23.844 1.00 70.01 ATOM 456 C MET 27 0.463 -16.759 25.745 1.00 51.13 ATOM 457 O MET 27 1.629 -16.520 25.436 1.00 43.42 ATOM 458 N ASN 28 0.102 -17.841 26.427 1.00 65.22 ATOM 459 HN ASN 28 -0.842 -17.979 26.669 1.00 38.39 ATOM 460 CA ASN 28 1.081 -18.832 26.861 1.00 12.45 ATOM 461 HA ASN 28 2.070 -18.383 26.818 1.00 34.42 ATOM 462 CB ASN 28 0.806 -19.250 28.307 1.00 1.03 ATOM 463 HB1 ASN 28 -0.081 -19.856 28.340 1.00 38.39 ATOM 464 HB2 ASN 28 0.648 -18.362 28.903 1.00 72.25 ATOM 465 CG ASN 28 1.960 -20.025 28.914 1.00 74.30 ATOM 466 OD1 ASN 28 2.951 -20.312 28.242 1.00 12.14 ATOM 467 ND2 ASN 28 1.835 -20.369 30.191 1.00 72.14 ATOM 468 HD21 ASN 28 1.020 -20.116 30.676 1.00 10.11 ATOM 469 HD22 ASN 28 2.574 -20.861 30.605 1.00 30.31 ATOM 470 C ASN 28 1.056 -20.057 25.952 1.00 14.53 ATOM 471 O ASN 28 -0.012 -20.566 25.608 1.00 43.12 ATOM 472 N LEU 29 2.238 -20.525 25.567 1.00 35.15 ATOM 473 HN LEU 29 3.063 -20.075 25.864 1.00 38.39 ATOM 474 CA LEU 29 2.352 -21.691 24.699 1.00 62.34 ATOM 475 HA LEU 29 1.384 -22.156 24.609 1.00 52.54 ATOM 476 CB LEU 29 2.812 -21.268 23.302 1.00 22.34 ATOM 477 HB1 LEU 29 2.558 -22.064 22.620 1.00 38.39 ATOM 478 HB2 LEU 29 3.894 -21.165 23.316 1.00 44.30 ATOM 479 CG LEU 29 2.221 -19.964 22.767 1.00 15.23 ATOM 480 HG LEU 29 2.333 -19.185 23.506 1.00 4.33 ATOM 481 CD1 LEU 29 2.962 -19.514 21.518 1.00 72.42 ATOM 482 HD11 LEU 29 4.028 -19.646 21.653 1.00 3.53 ATOM 483 HD12 LEU 29 2.765 -18.472 21.353 1.00 52.22 ATOM 484 HD13 LEU 29 2.637 -20.087 20.659 1.00 34.21 ATOM 485 CD2 LEU 29 0.736 -20.131 22.478 1.00 51.31 ATOM 486 HD21 LEU 29 0.260 -20.728 23.240 1.00 42.44 ATOM 487 HD22 LEU 29 0.621 -20.611 21.525 1.00 22.42 ATOM 488 HD23 LEU 29 0.269 -19.158 22.445 1.00 40.00 ATOM 489 C LEU 29 3.327 -22.710 25.281 1.00 72.25 ATOM 490 O LEU 29 4.250 -22.355 26.014 1.00 43.34 ATOM 491 N THR 30 3.116 -23.980 24.947 1.00 25.05 ATOM 492 HN THR 30 2.358 -24.204 24.355 1.00 38.39 ATOM 493 CA THR 30 3.976 -25.051 25.436 1.00 43.34 ATOM 494 HA THR 30 3.874 -25.100 26.512 1.00 1.12 ATOM 495 CB THR 30 3.562 -26.414 24.851 1.00 20.55 ATOM 496 HB THR 30 2.501 -26.549 25.008 1.00 14.21 ATOM 497 OG1 THR 30 4.271 -27.467 25.514 1.00 25.10 ATOM 498 HG1 THR 30 3.844 -27.666 26.351 1.00 44.22 ATOM 499 CG2 THR 30 3.841 -26.470 23.357 1.00 30.31 ATOM 500 HG21 THR 30 3.307 -25.678 22.871 1.00 63.43 ATOM 501 HG22 THR 30 3.495 -27.417 22.970 1.00 50.12 ATOM 502 HG23 THR 30 4.897 -26.376 23.162 1.00 14.23 ATOM 503 C THR 30 5.437 -24.785 25.089 1.00 54.43 ATOM 504 O THR 30 5.752 -23.826 24.384 1.00 41.31 ATOM 505 N ARG 31 6.324 -25.639 25.587 1.00 33.33 ATOM 506 HN ARG 31 6.011 -26.398 26.135 1.00 38.39 ATOM 507 CA ARG 31 7.752 -25.496 25.330 1.00 55.51 ATOM 508 HA ARG 31 7.984 -24.442 25.224 1.00 42.54 ATOM 509 CB ARG 31 8.561 -26.052 26.503 1.00 44.54 ATOM 510 HB1 ARG 31 9.617 -25.940 26.295 1.00 38.39 ATOM 511 HB2 ARG 31 8.339 -27.107 26.603 1.00 34.43 ATOM 512 CG ARG 31 8.243 -25.387 27.832 1.00 43.20 ATOM 513 HG1 ARG 31 8.606 -26.020 28.628 1.00 38.39 ATOM 514 HG2 ARG 31 7.175 -25.262 27.936 1.00 21.41 ATOM 515 CD ARG 31 8.914 -24.027 27.949 1.00 31.04 ATOM 516 HD1 ARG 31 8.641 -23.587 28.898 1.00 38.39 ATOM 517 HD2 ARG 31 8.545 -23.404 27.146 1.00 2.04 ATOM 518 NE ARG 31 10.369 -24.126 27.870 1.00 52.42 ATOM 519 HE ARG 31 10.783 -25.002 28.055 1.00 1.32 ATOM 520 CZ ARG 31 11.159 -23.101 27.569 1.00 65.40 ATOM 521 NH1 ARG 31 10.638 -21.908 27.321 1.00 2.22 ATOM 522 HH11 ARG 31 9.656 -21.747 27.356 1.00 12.54 ATOM 523 HH12 ARG 31 11.244 -21.144 27.092 1.00 11.12 ATOM 524 NH2 ARG 31 12.475 -23.270 27.516 1.00 35.10 ATOM 525 HH21 ARG 31 12.875 -24.170 27.703 1.00 21.44 ATOM 526 HH22 ARG 31 13.074 -22.499 27.289 1.00 14.15 ATOM 527 C ARG 31 8.146 -26.210 24.041 1.00 63.41 ATOM 528 O ARG 31 8.999 -27.097 24.047 1.00 32.30 ATOM 529 N GLY 32 7.519 -25.818 22.936 1.00 1.42 ATOM 530 HN GLY 32 6.888 -25.075 22.982 1.00 38.39 ATOM 531 CA GLY 32 7.818 -26.431 21.656 1.00 73.44 ATOM 532 HA1 GLY 32 8.172 -27.445 21.802 1.00 38.39 ATOM 533 HA2 GLY 32 8.596 -25.860 21.172 1.00 53.45 ATOM 534 C GLY 32 6.611 -26.478 20.740 1.00 72.14 ATOM 535 O GLY 32 6.395 -27.466 20.036 1.00 1.43 ATOM 536 N ILE 33 5.821 -25.409 20.749 1.00 65.33 ATOM 537 HN ILE 33 6.060 -24.627 21.293 1.00 38.39 ATOM 538 CA ILE 33 4.630 -25.333 19.913 1.00 72.23 ATOM 539 HA ILE 33 4.165 -26.317 19.904 1.00 13.20 ATOM 540 CB ILE 33 3.610 -24.325 20.476 1.00 64.51 ATOM 541 HB ILE 33 3.529 -24.469 21.531 1.00 71.40 ATOM 542 CG1 ILE 33 2.239 -24.539 19.831 1.00 25.30 ATOM 543 HG11 ILE 33 1.898 -25.542 20.046 1.00 38.39 ATOM 544 HG12 ILE 33 2.318 -24.413 18.761 1.00 23.54 ATOM 545 CG2 ILE 33 4.093 -22.901 20.248 1.00 53.31 ATOM 546 HG21 ILE 33 3.483 -22.221 20.811 1.00 60.14 ATOM 547 HG22 ILE 33 4.023 -22.640 19.201 1.00 20.32 ATOM 548 HG23 ILE 33 5.120 -22.802 20.573 1.00 74.33 ATOM 549 CD1 ILE 33 1.182 -23.577 20.325 1.00 4.25 ATOM 550 HD11 ILE 33 1.128 -23.610 21.404 1.00 51.24 ATOM 551 HD12 ILE 33 0.248 -23.880 19.910 1.00 45.54 ATOM 552 HD13 ILE 33 1.412 -22.574 20.000 1.00 62.42 ATOM 553 C ILE 33 4.985 -24.935 18.484 1.00 20.31 ATOM 554 O ILE 33 5.847 -24.086 18.262 1.00 71.33 ATOM 555 N ASN 34 4.313 -25.554 17.519 1.00 72.22 ATOM 556 HN ASN 34 3.627 -26.222 17.751 1.00 38.39 ATOM 557 CA ASN 34 4.557 -25.264 16.111 1.00 55.34 ATOM 558 HA ASN 34 5.390 -24.572 16.033 1.00 44.43 ATOM 559 CB ASN 34 4.912 -26.547 15.358 1.00 74.44 ATOM 560 HB1 ASN 34 4.027 -27.079 15.056 1.00 38.39 ATOM 561 HB2 ASN 34 5.483 -27.186 16.019 1.00 3.54 ATOM 562 CG ASN 34 5.772 -26.283 14.137 1.00 10.42 ATOM 563 OD1 ASN 34 6.951 -25.948 14.256 1.00 72.03 ATOM 564 ND2 ASN 34 5.184 -26.432 12.956 1.00 43.54 ATOM 565 HD21 ASN 34 4.245 -26.700 12.922 1.00 72.15 ATOM 566 HD22 ASN 34 5.726 -26.276 12.157 1.00 34.40 ATOM 567 C ASN 34 3.337 -24.607 15.472 1.00 54.14 ATOM 568 O ASN 34 2.578 -25.253 14.747 1.00 1.21 ATOM 569 N LEU 35 3.154 -23.320 15.744 1.00 10.32 ATOM 570 HN LEU 35 3.816 -22.859 16.309 1.00 38.39 ATOM 571 CA LEU 35 2.027 -22.574 15.196 1.00 55.03 ATOM 572 HA LEU 35 1.130 -22.957 15.643 1.00 21.42 ATOM 573 CB LEU 35 2.151 -21.091 15.548 1.00 12.33 ATOM 574 HB1 LEU 35 1.284 -20.569 15.160 1.00 38.39 ATOM 575 HB2 LEU 35 3.028 -20.718 15.034 1.00 12.24 ATOM 576 CG LEU 35 2.304 -20.765 17.034 1.00 2.43 ATOM 577 HG LEU 35 2.847 -21.551 17.535 1.00 41.54 ATOM 578 CD1 LEU 35 3.097 -19.480 17.220 1.00 72.11 ATOM 579 HD11 LEU 35 3.209 -19.271 18.275 1.00 74.12 ATOM 580 HD12 LEU 35 2.578 -18.661 16.745 1.00 4.50 ATOM 581 HD13 LEU 35 4.076 -19.591 16.774 1.00 41.14 ATOM 582 CD2 LEU 35 0.940 -20.652 17.699 1.00 30.53 ATOM 583 HD21 LEU 35 0.402 -21.583 17.582 1.00 61.25 ATOM 584 HD22 LEU 35 0.375 -19.851 17.241 1.00 61.43 ATOM 585 HD23 LEU 35 1.066 -20.445 18.753 1.00 52.12 ATOM 586 C LEU 35 1.946 -22.744 13.682 1.00 43.51 ATOM 587 O LEU 35 0.861 -22.722 13.102 1.00 53.13 ATOM 588 N ARG 36 3.102 -22.914 13.049 1.00 62.23 ATOM 589 HN ARG 36 3.948 -22.870 13.551 1.00 38.39 ATOM 590 CA ARG 36 3.163 -23.089 11.603 1.00 54.35 ATOM 591 HA ARG 36 2.854 -22.159 11.146 1.00 0.42 ATOM 592 CB ARG 36 4.592 -23.413 11.166 1.00 44.12 ATOM 593 HB1 ARG 36 4.854 -24.395 11.511 1.00 38.39 ATOM 594 HB2 ARG 36 5.256 -22.699 11.637 1.00 3.41 ATOM 595 CG ARG 36 4.807 -23.316 9.664 1.00 24.03 ATOM 596 HG1 ARG 36 5.827 -23.012 9.482 1.00 38.39 ATOM 597 HG2 ARG 36 4.135 -22.581 9.241 1.00 41.14 ATOM 598 CD ARG 36 4.569 -24.653 8.980 1.00 24.11 ATOM 599 HD1 ARG 36 4.759 -24.530 7.926 1.00 38.39 ATOM 600 HD2 ARG 36 3.553 -24.965 9.118 1.00 55.42 ATOM 601 NE ARG 36 5.466 -25.691 9.480 1.00 24.35 ATOM 602 HE ARG 36 6.116 -25.447 10.178 1.00 44.35 ATOM 603 CZ ARG 36 5.465 -26.942 9.033 1.00 35.13 ATOM 604 NH1 ARG 36 4.618 -27.308 8.081 1.00 53.00 ATOM 605 HH11 ARG 36 3.970 -26.659 7.684 1.00 42.13 ATOM 606 HH12 ARG 36 4.624 -28.254 7.749 1.00 22.22 ATOM 607 NH2 ARG 36 6.311 -27.830 9.539 1.00 44.14 ATOM 608 HH21 ARG 36 6.953 -27.560 10.260 1.00 44.35 ATOM 609 HH22 ARG 36 6.312 -28.774 9.203 1.00 42.23 ATOM 610 C ARG 36 2.217 -24.197 11.149 1.00 61.13 ATOM 611 O ARG 36 1.540 -24.072 10.128 1.00 45.22 ATOM 612 N LYS 37 2.176 -25.283 11.914 1.00 51.41 ATOM 613 HN LYS 37 2.726 -25.322 12.728 1.00 38.39 ATOM 614 CA LYS 37 1.314 -26.414 11.592 1.00 13.44 ATOM 615 HA LYS 37 1.470 -26.677 10.553 1.00 22.43 ATOM 616 CB LYS 37 1.675 -27.620 12.462 1.00 62.13 ATOM 617 HB1 LYS 37 1.669 -27.317 13.486 1.00 38.39 ATOM 618 HB2 LYS 37 2.672 -27.943 12.200 1.00 23.12 ATOM 619 CG LYS 37 0.742 -28.804 12.277 1.00 61.32 ATOM 620 HG1 LYS 37 1.324 -29.714 12.343 1.00 38.39 ATOM 621 HG2 LYS 37 0.282 -28.753 11.297 1.00 54.34 ATOM 622 CD LYS 37 -0.356 -28.818 13.327 1.00 22.42 ATOM 623 HD1 LYS 37 -1.280 -29.091 12.848 1.00 38.39 ATOM 624 HD2 LYS 37 -0.463 -27.841 13.772 1.00 1.12 ATOM 625 CE LYS 37 -0.058 -29.821 14.432 1.00 42.05 ATOM 626 HE1 LYS 37 -0.437 -29.429 15.364 1.00 38.39 ATOM 627 HE2 LYS 37 1.009 -29.972 14.516 1.00 53.30 ATOM 628 NZ LYS 37 -0.700 -31.139 14.172 1.00 32.12 ATOM 629 HZ1 LYS 37 -0.351 -31.542 13.277 1.00 73.51 ATOM 630 HZ2 LYS 37 -1.734 -31.033 14.113 1.00 60.12 ATOM 631 HZ3 LYS 37 -0.478 -31.800 14.944 1.00 32.14 ATOM 632 C LYS 37 -0.155 -26.052 11.791 1.00 22.14 ATOM 633 O LYS 37 -1.031 -26.575 11.102 1.00 31.13 ATOM 634 N ILE 38 -0.416 -25.155 12.736 1.00 43.42 ATOM 635 HN ILE 38 0.321 -24.774 13.247 1.00 38.39 ATOM 636 CA ILE 38 -1.778 -24.722 13.022 1.00 22.15 ATOM 637 HA ILE 38 -2.371 -25.601 13.245 1.00 43.04 ATOM 638 CB ILE 38 -1.824 -23.777 14.238 1.00 74.13 ATOM 639 HB ILE 38 -1.318 -22.859 13.988 1.00 74.52 ATOM 640 CG1 ILE 38 -1.124 -24.418 15.437 1.00 22.52 ATOM 641 HG11 ILE 38 -1.192 -23.756 16.289 1.00 38.39 ATOM 642 HG12 ILE 38 -0.086 -24.580 15.207 1.00 25.22 ATOM 643 CG2 ILE 38 -3.265 -23.429 14.583 1.00 44.43 ATOM 644 HG21 ILE 38 -3.841 -24.329 14.735 1.00 53.44 ATOM 645 HG22 ILE 38 -3.704 -22.858 13.780 1.00 13.51 ATOM 646 HG23 ILE 38 -3.289 -22.831 15.483 1.00 1.44 ATOM 647 CD1 ILE 38 -1.712 -25.753 15.838 1.00 63.44 ATOM 648 HD11 ILE 38 -2.784 -25.734 15.780 1.00 63.11 ATOM 649 HD12 ILE 38 -1.427 -25.978 16.850 1.00 43.10 ATOM 650 HD13 ILE 38 -1.334 -26.519 15.184 1.00 63.51 ATOM 651 C ILE 38 -2.395 -24.016 11.820 1.00 71.31 ATOM 652 O ILE 38 -3.431 -24.436 11.306 1.00 55.22 ATOM 653 N ALA 39 -1.750 -22.943 11.375 1.00 22.02 ATOM 654 HN ALA 39 -0.923 -22.658 11.833 1.00 38.39 ATOM 655 CA ALA 39 -2.233 -22.181 10.230 1.00 1.04 ATOM 656 HA ALA 39 -3.194 -21.772 10.484 1.00 31.35 ATOM 657 CB ALA 39 -1.292 -21.023 9.932 1.00 63.42 ATOM 658 HB1 ALA 39 -0.984 -21.036 8.895 1.00 24.45 ATOM 659 HB2 ALA 39 -0.412 -21.081 10.557 1.00 2.50 ATOM 660 HB3 ALA 39 -1.804 -20.093 10.133 1.00 21.04 ATOM 661 C ALA 39 -2.385 -23.072 9.002 1.00 22.13 ATOM 662 O ALA 39 -3.237 -22.827 8.149 1.00 64.32 ATOM 663 N GLU 40 -1.553 -24.106 8.920 1.00 3.32 ATOM 664 HN GLU 40 -0.864 -24.236 9.610 1.00 38.39 ATOM 665 CA GLU 40 -1.595 -25.032 7.795 1.00 41.24 ATOM 666 HA GLU 40 -1.471 -24.459 6.883 1.00 12.32 ATOM 667 CB GLU 40 -0.465 -26.058 7.907 1.00 51.40 ATOM 668 HB1 GLU 40 -0.781 -27.004 7.480 1.00 38.39 ATOM 669 HB2 GLU 40 -0.235 -26.217 8.946 1.00 62.21 ATOM 670 CG GLU 40 0.818 -25.628 7.216 1.00 71.04 ATOM 671 HG1 GLU 40 1.650 -26.103 7.715 1.00 38.39 ATOM 672 HG2 GLU 40 0.927 -24.555 7.291 1.00 53.43 ATOM 673 CD GLU 40 0.850 -26.019 5.751 1.00 44.01 ATOM 674 OE1 GLU 40 1.538 -27.006 5.416 1.00 25.11 ATOM 675 OE2 GLU 40 0.189 -25.338 4.940 1.00 73.43 ATOM 676 C GLU 40 -2.941 -25.747 7.729 1.00 73.03 ATOM 677 O GLU 40 -3.333 -26.263 6.681 1.00 43.53 ATOM 678 N LEU 41 -3.645 -25.775 8.855 1.00 54.32 ATOM 679 HN LEU 41 -3.280 -25.396 9.677 1.00 38.39 ATOM 680 CA LEU 41 -4.948 -26.427 8.927 1.00 53.13 ATOM 681 HA LEU 41 -5.014 -27.174 8.145 1.00 54.44 ATOM 682 CB LEU 41 -5.115 -27.131 10.275 1.00 42.43 ATOM 683 HB1 LEU 41 -6.072 -27.641 10.280 1.00 38.39 ATOM 684 HB2 LEU 41 -5.142 -26.362 11.042 1.00 3.43 ATOM 685 CG LEU 41 -4.025 -28.137 10.646 1.00 41.14 ATOM 686 HG LEU 41 -3.059 -27.735 10.384 1.00 32.21 ATOM 687 CD1 LEU 41 -4.025 -28.396 12.144 1.00 1.42 ATOM 688 HD11 LEU 41 -3.295 -29.152 12.384 1.00 53.34 ATOM 689 HD12 LEU 41 -5.003 -28.737 12.455 1.00 75.11 ATOM 690 HD13 LEU 41 -3.780 -27.483 12.667 1.00 61.12 ATOM 691 CD2 LEU 41 -4.216 -29.437 9.878 1.00 1.01 ATOM 692 HD21 LEU 41 -4.185 -29.238 8.816 1.00 3.54 ATOM 693 HD22 LEU 41 -5.171 -29.875 10.133 1.00 12.22 ATOM 694 HD23 LEU 41 -3.425 -30.129 10.133 1.00 23.31 ATOM 695 C LEU 41 -6.074 -25.418 8.724 1.00 12.03 ATOM 696 O LEU 41 -7.186 -25.606 9.218 1.00 24.31 ATOM 697 N MET 42 -5.779 -24.348 7.993 1.00 22.14 ATOM 698 HN MET 42 -4.890 -24.230 7.613 1.00 38.39 ATOM 699 CA MET 42 -6.768 -23.311 7.723 1.00 63.01 ATOM 700 HA MET 42 -7.741 -23.640 8.065 1.00 3.20 ATOM 701 CB MET 42 -6.413 -22.029 8.478 1.00 13.23 ATOM 702 HB1 MET 42 -7.260 -21.369 8.437 1.00 38.39 ATOM 703 HB2 MET 42 -5.565 -21.551 8.003 1.00 22.42 ATOM 704 CG MET 42 -6.059 -22.262 9.938 1.00 13.32 ATOM 705 HG1 MET 42 -5.136 -22.821 9.987 1.00 38.39 ATOM 706 HG2 MET 42 -6.849 -22.833 10.404 1.00 11.42 ATOM 707 SD MET 42 -5.849 -20.724 10.856 1.00 45.24 ATOM 708 CE MET 42 -7.554 -20.222 11.072 1.00 73.11 ATOM 709 HE1 MET 42 -7.660 -19.727 12.015 1.00 51.53 ATOM 710 HE2 MET 42 -8.200 -21.088 11.050 1.00 10.52 ATOM 711 HE3 MET 42 -7.833 -19.546 10.278 1.00 65.44 ATOM 712 C MET 42 -6.860 -23.025 6.227 1.00 13.14 ATOM 713 O MET 42 -6.481 -21.955 5.751 1.00 2.12 ATOM 714 N PRO 43 -7.376 -24.003 5.468 1.00 51.43 ATOM 715 CA PRO 43 -7.530 -23.878 4.015 1.00 34.52 ATOM 716 HA PRO 43 -6.595 -23.608 3.541 1.00 74.25 ATOM 717 CB PRO 43 -7.931 -25.290 3.579 1.00 21.01 ATOM 718 HB1 PRO 43 -7.047 -25.839 3.293 1.00 38.39 ATOM 719 HB2 PRO 43 -8.619 -25.256 2.743 1.00 11.35 ATOM 720 CG PRO 43 -8.565 -25.893 4.785 1.00 74.14 ATOM 721 HG1 PRO 43 -8.441 -26.966 4.768 1.00 38.39 ATOM 722 HG2 PRO 43 -9.614 -25.636 4.816 1.00 14.20 ATOM 723 CD PRO 43 -7.849 -25.304 5.968 1.00 21.22 ATOM 724 HD1 PRO 43 -7.017 -25.932 6.243 1.00 38.39 ATOM 725 HD2 PRO 43 -8.521 -25.189 6.791 1.00 54.22 ATOM 726 C PRO 43 -8.612 -22.875 3.631 1.00 73.02 ATOM 727 O PRO 43 -9.804 -23.158 3.746 1.00 50.13 ATOM 728 N GLY 44 -8.189 -21.701 3.173 1.00 5.31 ATOM 729 HN GLY 44 -7.225 -21.520 3.098 1.00 38.39 ATOM 730 CA GLY 44 -9.134 -20.673 2.778 1.00 34.34 ATOM 731 HA1 GLY 44 -9.931 -21.115 2.192 1.00 38.39 ATOM 732 HA2 GLY 44 -8.617 -19.948 2.166 1.00 22.24 ATOM 733 C GLY 44 -9.740 -19.955 3.968 1.00 43.41 ATOM 734 O GLY 44 -10.955 -19.780 4.043 1.00 55.31 ATOM 735 N ALA 45 -8.890 -19.539 4.901 1.00 2.41 ATOM 736 HN ALA 45 -7.925 -19.699 4.790 1.00 38.39 ATOM 737 CA ALA 45 -9.348 -18.835 6.092 1.00 0.15 ATOM 738 HA ALA 45 -10.433 -18.844 6.118 1.00 15.52 ATOM 739 CB ALA 45 -8.861 -19.547 7.346 1.00 75.11 ATOM 740 HB1 ALA 45 -7.781 -19.513 7.387 1.00 3.54 ATOM 741 HB2 ALA 45 -9.186 -20.577 7.322 1.00 52.14 ATOM 742 HB3 ALA 45 -9.271 -19.063 8.221 1.00 71.50 ATOM 743 C ALA 45 -8.876 -17.385 6.089 1.00 54.30 ATOM 744 O ALA 45 -7.782 -17.079 5.615 1.00 55.14 ATOM 745 N SER 46 -9.709 -16.495 6.620 1.00 20.23 ATOM 746 HN SER 46 -10.567 -16.798 7.001 1.00 38.39 ATOM 747 CA SER 46 -9.379 -15.076 6.674 1.00 4.11 ATOM 748 HA SER 46 -8.584 -14.867 5.968 1.00 31.40 ATOM 749 CB SER 46 -10.595 -14.233 6.286 1.00 2.54 ATOM 750 HB1 SER 46 -11.092 -14.682 5.437 1.00 38.39 ATOM 751 HB2 SER 46 -10.269 -13.237 6.025 1.00 11.01 ATOM 752 OG SER 46 -11.515 -14.141 7.360 1.00 74.42 ATOM 753 HG SER 46 -12.050 -14.938 7.396 1.00 42.01 ATOM 754 C SER 46 -8.896 -14.683 8.067 1.00 12.11 ATOM 755 O SER 46 -8.925 -15.489 8.996 1.00 5.54 ATOM 756 N GLY 47 -8.453 -13.437 8.203 1.00 0.35 ATOM 757 HN GLY 47 -8.450 -12.828 7.430 1.00 38.39 ATOM 758 CA GLY 47 -7.970 -12.957 9.485 1.00 32.13 ATOM 759 HA1 GLY 47 -7.706 -11.914 9.391 1.00 38.39 ATOM 760 HA2 GLY 47 -7.090 -13.518 9.758 1.00 34.22 ATOM 761 C GLY 47 -9.003 -13.104 10.585 1.00 5.14 ATOM 762 O GLY 47 -8.661 -13.399 11.730 1.00 35.14 ATOM 763 N ALA 48 -10.268 -12.896 10.238 1.00 14.34 ATOM 764 HN ALA 48 -10.484 -12.648 9.308 1.00 38.39 ATOM 765 CA ALA 48 -11.354 -13.007 11.205 1.00 3.12 ATOM 766 HA ALA 48 -11.165 -12.307 12.008 1.00 74.41 ATOM 767 CB ALA 48 -12.678 -12.630 10.558 1.00 41.33 ATOM 768 HB1 ALA 48 -12.606 -11.632 10.152 1.00 54.34 ATOM 769 HB2 ALA 48 -13.466 -12.659 11.297 1.00 23.14 ATOM 770 HB3 ALA 48 -12.905 -13.324 9.761 1.00 42.03 ATOM 771 C ALA 48 -11.429 -14.415 11.787 1.00 41.44 ATOM 772 O ALA 48 -11.598 -14.589 12.993 1.00 50.02 ATOM 773 N GLU 49 -11.303 -15.415 10.920 1.00 22.34 ATOM 774 HN GLU 49 -11.177 -15.215 9.962 1.00 38.39 ATOM 775 CA GLU 49 -11.358 -16.808 11.350 1.00 54.34 ATOM 776 HA GLU 49 -12.284 -16.958 11.893 1.00 14.40 ATOM 777 CB GLU 49 -11.331 -17.740 10.137 1.00 50.04 ATOM 778 HB1 GLU 49 -11.008 -18.728 10.447 1.00 38.39 ATOM 779 HB2 GLU 49 -10.619 -17.353 9.420 1.00 23.24 ATOM 780 CG GLU 49 -12.680 -17.891 9.454 1.00 12.42 ATOM 781 HG1 GLU 49 -13.166 -16.924 9.406 1.00 38.39 ATOM 782 HG2 GLU 49 -13.288 -18.568 10.036 1.00 50.41 ATOM 783 CD GLU 49 -12.563 -18.440 8.046 1.00 75.13 ATOM 784 OE1 GLU 49 -12.985 -17.741 7.100 1.00 24.11 ATOM 785 OE2 GLU 49 -12.052 -19.568 7.889 1.00 63.12 ATOM 786 C GLU 49 -10.197 -17.136 12.283 1.00 21.04 ATOM 787 O GLU 49 -10.382 -17.765 13.325 1.00 20.13 ATOM 788 N VAL 50 -8.999 -16.706 11.902 1.00 45.43 ATOM 789 HN VAL 50 -8.921 -16.191 11.067 1.00 38.39 ATOM 790 CA VAL 50 -7.806 -16.953 12.704 1.00 53.52 ATOM 791 HA VAL 50 -7.646 -18.013 12.754 1.00 74.11 ATOM 792 CB VAL 50 -6.562 -16.299 12.075 1.00 5.32 ATOM 793 HB VAL 50 -6.728 -15.232 12.015 1.00 65.30 ATOM 794 CG1 VAL 50 -5.335 -16.541 12.942 1.00 34.11 ATOM 795 HG11 VAL 50 -5.286 -17.586 13.216 1.00 71.02 ATOM 796 HG12 VAL 50 -5.391 -15.938 13.834 1.00 32.41 ATOM 797 HG13 VAL 50 -4.443 -16.279 12.397 1.00 53.42 ATOM 798 CG2 VAL 50 -6.340 -16.823 10.665 1.00 65.43 ATOM 799 HG21 VAL 50 -5.491 -16.320 10.225 1.00 33.43 ATOM 800 HG22 VAL 50 -7.205 -16.643 10.058 1.00 3.32 ATOM 801 HG23 VAL 50 -6.144 -17.877 10.699 1.00 4.35 ATOM 802 C VAL 50 -7.981 -16.426 14.124 1.00 22.40 ATOM 803 O VAL 50 -7.609 -17.088 15.093 1.00 21.05 ATOM 804 N LYS 51 -8.550 -15.231 14.241 1.00 64.35 ATOM 805 HN LYS 51 -8.814 -14.738 13.428 1.00 38.39 ATOM 806 CA LYS 51 -8.776 -14.615 15.542 1.00 12.23 ATOM 807 HA LYS 51 -7.807 -14.415 15.982 1.00 51.51 ATOM 808 CB LYS 51 -9.542 -13.300 15.381 1.00 53.15 ATOM 809 HB1 LYS 51 -10.605 -13.498 15.299 1.00 38.39 ATOM 810 HB2 LYS 51 -9.214 -12.825 14.465 1.00 43.22 ATOM 811 CG LYS 51 -9.303 -12.314 16.510 1.00 1.45 ATOM 812 HG1 LYS 51 -9.419 -11.310 16.123 1.00 38.39 ATOM 813 HG2 LYS 51 -8.292 -12.432 16.883 1.00 63.31 ATOM 814 CD LYS 51 -10.273 -12.535 17.659 1.00 55.55 ATOM 815 HD1 LYS 51 -9.772 -12.281 18.581 1.00 38.39 ATOM 816 HD2 LYS 51 -10.589 -13.563 17.702 1.00 2.24 ATOM 817 CE LYS 51 -11.506 -11.653 17.524 1.00 5.24 ATOM 818 HE1 LYS 51 -11.843 -11.660 16.494 1.00 38.39 ATOM 819 HE2 LYS 51 -11.244 -10.645 17.808 1.00 41.54 ATOM 820 NZ LYS 51 -12.621 -12.123 18.391 1.00 32.04 ATOM 821 HZ1 LYS 51 -12.897 -13.094 18.132 1.00 12.54 ATOM 822 HZ2 LYS 51 -13.446 -11.501 18.275 1.00 15.24 ATOM 823 HZ3 LYS 51 -12.332 -12.110 19.392 1.00 23.11 ATOM 824 C LYS 51 -9.548 -15.555 16.463 1.00 61.13 ATOM 825 O LYS 51 -9.258 -15.649 17.655 1.00 54.43 ATOM 826 N GLY 52 -10.531 -16.251 15.900 1.00 33.54 ATOM 827 HN GLY 52 -10.740 -16.136 14.946 1.00 38.39 ATOM 828 CA GLY 52 -11.328 -17.176 16.685 1.00 31.31 ATOM 829 HA1 GLY 52 -12.120 -17.564 16.062 1.00 38.39 ATOM 830 HA2 GLY 52 -11.771 -16.648 17.520 1.00 50.23 ATOM 831 C GLY 52 -10.513 -18.339 17.215 1.00 4.23 ATOM 832 O GLY 52 -10.741 -18.810 18.329 1.00 34.42 ATOM 833 N VAL 53 -9.558 -18.804 16.415 1.00 35.11 ATOM 834 HN VAL 53 -9.413 -18.380 15.538 1.00 38.39 ATOM 835 CA VAL 53 -8.706 -19.919 16.810 1.00 73.43 ATOM 836 HA VAL 53 -9.342 -20.753 17.056 1.00 21.24 ATOM 837 CB VAL 53 -7.771 -20.345 15.662 1.00 13.30 ATOM 838 HB VAL 53 -7.145 -19.504 15.398 1.00 74.21 ATOM 839 CG1 VAL 53 -6.869 -21.487 16.104 1.00 44.43 ATOM 840 HG11 VAL 53 -6.226 -21.169 16.910 1.00 42.52 ATOM 841 HG12 VAL 53 -6.253 -21.800 15.272 1.00 3.52 ATOM 842 HG13 VAL 53 -7.471 -22.319 16.428 1.00 61.42 ATOM 843 CG2 VAL 53 -8.580 -20.737 14.435 1.00 65.34 ATOM 844 HG21 VAL 53 -9.234 -21.558 14.680 1.00 75.24 ATOM 845 HG22 VAL 53 -7.910 -21.044 13.650 1.00 72.45 ATOM 846 HG23 VAL 53 -9.166 -19.898 14.094 1.00 3.31 ATOM 847 C VAL 53 -7.865 -19.563 18.030 1.00 33.34 ATOM 848 O VAL 53 -7.788 -20.332 18.990 1.00 73.14 ATOM 849 N CYS 54 -7.237 -18.394 17.988 1.00 1.21 ATOM 850 HN CYS 54 -7.364 -17.816 17.201 1.00 38.39 ATOM 851 CA CYS 54 -6.400 -17.935 19.091 1.00 32.03 ATOM 852 HA CYS 54 -5.582 -18.633 19.204 1.00 33.23 ATOM 853 CB CYS 54 -5.828 -16.551 18.783 1.00 1.32 ATOM 854 HB1 CYS 54 -5.129 -16.276 19.560 1.00 38.39 ATOM 855 HB2 CYS 54 -6.632 -15.828 18.756 1.00 5.42 ATOM 856 SG CYS 54 -4.958 -16.447 17.202 1.00 42.24 ATOM 857 HG CYS 54 -3.846 -17.162 17.299 1.00 62.32 ATOM 858 C CYS 54 -7.193 -17.893 20.394 1.00 41.33 ATOM 859 O CYS 54 -6.785 -18.472 21.401 1.00 11.22 ATOM 860 N THR 55 -8.328 -17.202 20.367 1.00 13.43 ATOM 861 HN THR 55 -8.606 -16.763 19.528 1.00 38.39 ATOM 862 CA THR 55 -9.177 -17.081 21.546 1.00 50.32 ATOM 863 HA THR 55 -8.576 -16.685 22.356 1.00 42.34 ATOM 864 CB THR 55 -10.348 -16.111 21.298 1.00 4.31 ATOM 865 HB THR 55 -10.965 -16.504 20.500 1.00 1.44 ATOM 866 OG1 THR 55 -9.846 -14.828 20.906 1.00 73.14 ATOM 867 HG1 THR 55 -9.625 -14.840 19.971 1.00 44.41 ATOM 868 CG2 THR 55 -11.204 -15.966 22.547 1.00 1.40 ATOM 869 HG21 THR 55 -10.575 -15.786 23.409 1.00 55.41 ATOM 870 HG22 THR 55 -11.783 -16.864 22.702 1.00 33.44 ATOM 871 HG23 THR 55 -11.876 -15.131 22.419 1.00 41.13 ATOM 872 C THR 55 -9.735 -18.437 21.963 1.00 51.41 ATOM 873 O THR 55 -9.802 -18.751 23.151 1.00 60.24 ATOM 874 N GLU 56 -10.134 -19.236 20.978 1.00 1.41 ATOM 875 HN GLU 56 -10.067 -18.927 20.044 1.00 38.39 ATOM 876 CA GLU 56 -10.686 -20.558 21.245 1.00 75.42 ATOM 877 HA GLU 56 -11.538 -20.433 21.888 1.00 52.33 ATOM 878 CB GLU 56 -11.118 -21.228 19.938 1.00 24.34 ATOM 879 HB1 GLU 56 -11.087 -22.302 20.062 1.00 38.39 ATOM 880 HB2 GLU 56 -10.438 -20.949 19.155 1.00 20.14 ATOM 881 CG GLU 56 -12.529 -20.867 19.506 1.00 22.42 ATOM 882 HG1 GLU 56 -12.723 -21.315 18.543 1.00 38.39 ATOM 883 HG2 GLU 56 -12.611 -19.795 19.426 1.00 61.41 ATOM 884 CD GLU 56 -13.581 -21.351 20.485 1.00 24.34 ATOM 885 OE1 GLU 56 -13.235 -22.154 21.378 1.00 40.22 ATOM 886 OE2 GLU 56 -14.749 -20.928 20.360 1.00 64.14 ATOM 887 C GLU 56 -9.670 -21.437 21.968 1.00 1.13 ATOM 888 O GLU 56 -10.015 -22.171 22.894 1.00 74.15 ATOM 889 N ALA 57 -8.415 -21.356 21.539 1.00 42.21 ATOM 890 HN ALA 57 -8.198 -20.764 20.780 1.00 38.39 ATOM 891 CA ALA 57 -7.348 -22.141 22.146 1.00 65.53 ATOM 892 HA ALA 57 -7.537 -23.184 21.932 1.00 1.53 ATOM 893 CB ALA 57 -6.005 -21.770 21.534 1.00 51.42 ATOM 894 HB1 ALA 57 -5.246 -22.442 21.900 1.00 51.51 ATOM 895 HB2 ALA 57 -5.748 -20.754 21.800 1.00 5.24 ATOM 896 HB3 ALA 57 -6.067 -21.853 20.459 1.00 54.32 ATOM 897 C ALA 57 -7.314 -21.947 23.658 1.00 50.42 ATOM 898 O ALA 57 -7.098 -22.895 24.411 1.00 1.11 ATOM 899 N GLY 58 -7.529 -20.709 24.095 1.00 22.55 ATOM 900 HN GLY 58 -7.684 -19.976 23.459 1.00 38.39 ATOM 901 CA GLY 58 -7.518 -20.413 25.516 1.00 1.10 ATOM 902 HA1 GLY 58 -7.569 -19.342 25.646 1.00 38.39 ATOM 903 HA2 GLY 58 -6.594 -20.771 25.951 1.00 13.03 ATOM 904 C GLY 58 -8.684 -21.045 26.249 1.00 31.33 ATOM 905 O GLY 58 -8.591 -21.339 27.441 1.00 50.32 ATOM 906 N MET 59 -9.786 -21.254 25.536 1.00 31.34 ATOM 907 HN MET 59 -9.814 -20.981 24.596 1.00 38.39 ATOM 908 CA MET 59 -10.976 -21.856 26.128 1.00 42.32 ATOM 909 HA MET 59 -11.246 -21.279 27.001 1.00 34.11 ATOM 910 CB MET 59 -12.138 -21.823 25.133 1.00 21.22 ATOM 911 HB1 MET 59 -13.008 -22.268 25.599 1.00 38.39 ATOM 912 HB2 MET 59 -11.876 -22.417 24.271 1.00 55.54 ATOM 913 CG MET 59 -12.488 -20.424 24.654 1.00 52.05 ATOM 914 HG1 MET 59 -12.638 -20.461 23.590 1.00 38.39 ATOM 915 HG2 MET 59 -11.684 -19.736 24.874 1.00 33.10 ATOM 916 SD MET 59 -14.001 -19.791 25.403 1.00 32.30 ATOM 917 CE MET 59 -13.585 -19.891 27.142 1.00 2.02 ATOM 918 HE1 MET 59 -13.431 -20.924 27.417 1.00 43.51 ATOM 919 HE2 MET 59 -14.392 -19.479 27.729 1.00 52.34 ATOM 920 HE3 MET 59 -12.681 -19.330 27.329 1.00 33.51 ATOM 921 C MET 59 -10.701 -23.293 26.560 1.00 51.51 ATOM 922 O MET 59 -10.982 -23.673 27.697 1.00 64.33 ATOM 923 N TYR 60 -10.152 -24.085 25.647 1.00 60.44 ATOM 924 HN TYR 60 -9.950 -23.721 24.751 1.00 38.39 ATOM 925 CA TYR 60 -9.842 -25.481 25.933 1.00 72.10 ATOM 926 HA TYR 60 -10.764 -25.983 26.185 1.00 23.51 ATOM 927 CB TYR 60 -9.237 -26.155 24.700 1.00 54.51 ATOM 928 HB1 TYR 60 -8.877 -27.143 24.971 1.00 38.39 ATOM 929 HB2 TYR 60 -8.399 -25.564 24.355 1.00 3.34 ATOM 930 CG TYR 60 -10.214 -26.315 23.557 1.00 14.31 ATOM 931 CD1 TYR 60 -10.229 -25.415 22.498 1.00 33.23 ATOM 932 HD1 TYR 60 -9.530 -24.590 22.496 1.00 54.02 ATOM 933 CD2 TYR 60 -11.122 -27.367 23.536 1.00 52.53 ATOM 934 HD2 TYR 60 -11.126 -28.079 24.350 1.00 52.31 ATOM 935 CE1 TYR 60 -11.121 -25.557 21.453 1.00 63.43 ATOM 936 HE1 TYR 60 -11.117 -24.847 20.639 1.00 72.31 ATOM 937 CE2 TYR 60 -12.016 -27.517 22.493 1.00 33.44 ATOM 938 HE2 TYR 60 -12.714 -28.341 22.495 1.00 64.45 ATOM 939 CZ TYR 60 -12.012 -26.610 21.455 1.00 60.14 ATOM 940 OH TYR 60 -12.901 -26.756 20.414 1.00 24.01 ATOM 941 HH TYR 60 -12.438 -27.065 19.629 1.00 42.32 ATOM 942 C TYR 60 -8.880 -25.595 27.112 1.00 52.14 ATOM 943 O TYR 60 -8.991 -26.506 27.932 1.00 44.15 ATOM 944 N ALA 61 -7.937 -24.662 27.189 1.00 22.11 ATOM 945 HN ALA 61 -7.887 -23.959 26.499 1.00 38.39 ATOM 946 CA ALA 61 -6.957 -24.655 28.268 1.00 45.32 ATOM 947 HA ALA 61 -6.537 -25.650 28.356 1.00 70.12 ATOM 948 CB ALA 61 -5.820 -23.698 27.941 1.00 5.12 ATOM 949 HB1 ALA 61 -5.071 -23.743 28.719 1.00 14.51 ATOM 950 HB2 ALA 61 -6.203 -22.690 27.866 1.00 31.30 ATOM 951 HB3 ALA 61 -5.374 -23.982 26.999 1.00 52.44 ATOM 952 C ALA 61 -7.604 -24.276 29.595 1.00 31.25 ATOM 953 O ALA 61 -7.182 -24.736 30.657 1.00 2.14 ATOM 954 N LEU 62 -8.631 -23.436 29.529 1.00 4.42 ATOM 955 HN LEU 62 -8.917 -23.086 28.655 1.00 38.39 ATOM 956 CA LEU 62 -9.337 -22.994 30.727 1.00 23.40 ATOM 957 HA LEU 62 -8.603 -22.643 31.443 1.00 50.15 ATOM 958 CB LEU 62 -10.293 -21.850 30.387 1.00 70.03 ATOM 959 HB1 LEU 62 -11.174 -21.924 31.018 1.00 38.39 ATOM 960 HB2 LEU 62 -10.618 -21.979 29.364 1.00 54.23 ATOM 961 CG LEU 62 -9.728 -20.437 30.535 1.00 52.22 ATOM 962 HG LEU 62 -8.722 -20.410 30.139 1.00 42.01 ATOM 963 CD1 LEU 62 -10.564 -19.442 29.744 1.00 63.45 ATOM 964 HD11 LEU 62 -11.578 -19.434 30.122 1.00 11.11 ATOM 965 HD12 LEU 62 -10.573 -19.725 28.700 1.00 55.24 ATOM 966 HD13 LEU 62 -10.138 -18.453 29.840 1.00 52.12 ATOM 967 CD2 LEU 62 -9.668 -20.037 32.002 1.00 72.41 ATOM 968 HD21 LEU 62 -10.664 -20.041 32.423 1.00 42.30 ATOM 969 HD22 LEU 62 -9.245 -19.046 32.091 1.00 4.14 ATOM 970 HD23 LEU 62 -9.048 -20.738 32.543 1.00 53.31 ATOM 971 C LEU 62 -10.110 -24.147 31.359 1.00 22.32 ATOM 972 O LEU 62 -10.026 -24.376 32.566 1.00 61.21 ATOM 973 N ARG 63 -10.861 -24.871 30.536 1.00 64.54 ATOM 974 HN ARG 63 -10.894 -24.630 29.579 1.00 38.39 ATOM 975 CA ARG 63 -11.648 -26.002 31.014 1.00 42.40 ATOM 976 HA ARG 63 -12.285 -25.656 31.818 1.00 44.52 ATOM 977 CB ARG 63 -12.530 -26.548 29.890 1.00 15.32 ATOM 978 HB1 ARG 63 -13.194 -25.761 29.562 1.00 38.39 ATOM 979 HB2 ARG 63 -13.126 -27.364 30.283 1.00 33.22 ATOM 980 CG ARG 63 -11.747 -27.040 28.685 1.00 64.42 ATOM 981 HG1 ARG 63 -10.864 -27.567 29.002 1.00 38.39 ATOM 982 HG2 ARG 63 -11.464 -26.191 28.091 1.00 22.14 ATOM 983 CD ARG 63 -12.576 -27.986 27.830 1.00 43.35 ATOM 984 HD1 ARG 63 -12.068 -28.103 26.883 1.00 38.39 ATOM 985 HD2 ARG 63 -13.555 -27.556 27.659 1.00 62.11 ATOM 986 NE ARG 63 -12.731 -29.296 28.455 1.00 22.21 ATOM 987 HE ARG 63 -12.502 -29.381 29.410 1.00 5.23 ATOM 988 CZ ARG 63 -13.167 -30.372 27.809 1.00 1.12 ATOM 989 NH1 ARG 63 -13.489 -30.293 26.525 1.00 21.24 ATOM 990 HH11 ARG 63 -13.416 -29.437 26.019 1.00 62.42 ATOM 991 HH12 ARG 63 -13.814 -31.111 26.046 1.00 1.00 ATOM 992 NH2 ARG 63 -13.281 -31.530 28.447 1.00 11.44 ATOM 993 HH21 ARG 63 -13.039 -31.597 29.417 1.00 11.21 ATOM 994 HH22 ARG 63 -13.610 -32.343 27.962 1.00 75.44 ATOM 995 C ARG 63 -10.742 -27.108 31.547 1.00 13.14 ATOM 996 O ARG 63 -11.152 -27.906 32.389 1.00 74.30 ATOM 997 N GLU 64 -9.510 -27.148 31.051 1.00 42.23 ATOM 998 HN GLU 64 -9.231 -26.501 30.365 1.00 38.39 ATOM 999 CA GLU 64 -8.548 -28.157 31.477 1.00 65.11 ATOM 1000 HA GLU 64 -9.086 -29.040 31.806 1.00 42.33 ATOM 1001 CB GLU 64 -7.635 -28.548 30.312 1.00 10.34 ATOM 1002 HB1 GLU 64 -6.785 -29.100 30.700 1.00 38.39 ATOM 1003 HB2 GLU 64 -7.276 -27.647 29.834 1.00 72.02 ATOM 1004 CG GLU 64 -8.323 -29.401 29.260 1.00 24.42 ATOM 1005 HG1 GLU 64 -8.837 -28.759 28.568 1.00 38.39 ATOM 1006 HG2 GLU 64 -9.041 -30.053 29.741 1.00 2.12 ATOM 1007 CD GLU 64 -7.349 -30.269 28.486 1.00 55.13 ATOM 1008 OE1 GLU 64 -7.364 -30.207 27.238 1.00 4.23 ATOM 1009 OE2 GLU 64 -6.575 -31.009 29.126 1.00 24.50 ATOM 1010 C GLU 64 -7.709 -27.650 32.647 1.00 41.25 ATOM 1011 O GLU 64 -6.718 -28.272 33.029 1.00 1.13 ATOM 1012 N ARG 65 -8.114 -26.516 33.209 1.00 5.21 ATOM 1013 HN ARG 65 -8.896 -26.045 32.886 1.00 38.39 ATOM 1014 CA ARG 65 -7.399 -25.923 34.333 1.00 32.35 ATOM 1015 HA ARG 65 -7.808 -24.938 34.504 1.00 42.34 ATOM 1016 CB ARG 65 -7.596 -26.769 35.593 1.00 63.32 ATOM 1017 HB1 ARG 65 -7.184 -26.227 36.433 1.00 38.39 ATOM 1018 HB2 ARG 65 -7.052 -27.701 35.489 1.00 51.11 ATOM 1019 CG ARG 65 -9.053 -27.068 35.905 1.00 40.22 ATOM 1020 HG1 ARG 65 -9.686 -26.314 35.452 1.00 38.39 ATOM 1021 HG2 ARG 65 -9.187 -27.039 36.977 1.00 32.04 ATOM 1022 CD ARG 65 -9.466 -28.435 35.383 1.00 63.12 ATOM 1023 HD1 ARG 65 -8.721 -28.828 34.711 1.00 38.39 ATOM 1024 HD2 ARG 65 -10.395 -28.311 34.846 1.00 52.13 ATOM 1025 NE ARG 65 -9.663 -29.397 36.464 1.00 52.02 ATOM 1026 HE ARG 65 -9.266 -29.192 37.343 1.00 63.02 ATOM 1027 CZ ARG 65 -10.339 -30.532 36.323 1.00 22.03 ATOM 1028 NH1 ARG 65 -10.878 -30.846 35.154 1.00 54.35 ATOM 1029 HH11 ARG 65 -10.790 -30.251 34.360 1.00 53.02 ATOM 1030 HH12 ARG 65 -11.389 -31.704 35.061 1.00 3.41 ATOM 1031 NH2 ARG 65 -10.475 -31.356 37.354 1.00 32.31 ATOM 1032 HH21 ARG 65 -10.069 -31.125 38.241 1.00 24.34 ATOM 1033 HH22 ARG 65 -10.985 -32.213 37.251 1.00 1.05 ATOM 1034 C ARG 65 -5.911 -25.791 34.023 1.00 20.44 ATOM 1035 O ARG 65 -5.063 -26.168 34.832 1.00 4.12 ATOM 1036 N ARG 66 -5.602 -25.255 32.847 1.00 31.23 ATOM 1037 HN ARG 66 -6.316 -24.964 32.238 1.00 38.39 ATOM 1038 CA ARG 66 -4.217 -25.075 32.430 1.00 61.43 ATOM 1039 HA ARG 66 -3.556 -25.417 33.220 1.00 32.13 ATOM 1040 CB ARG 66 -3.931 -25.894 31.169 1.00 35.13 ATOM 1041 HB1 ARG 66 -2.966 -25.598 30.770 1.00 38.39 ATOM 1042 HB2 ARG 66 -4.694 -25.679 30.435 1.00 30.11 ATOM 1043 CG ARG 66 -3.912 -27.395 31.409 1.00 15.12 ATOM 1044 HG1 ARG 66 -4.928 -27.755 31.442 1.00 38.39 ATOM 1045 HG2 ARG 66 -3.422 -27.605 32.351 1.00 71.52 ATOM 1046 CD ARG 66 -3.167 -28.126 30.304 1.00 75.43 ATOM 1047 HD1 ARG 66 -2.948 -29.120 30.667 1.00 38.39 ATOM 1048 HD2 ARG 66 -2.238 -27.611 30.090 1.00 72.10 ATOM 1049 NE ARG 66 -3.959 -28.220 29.080 1.00 45.14 ATOM 1050 HE ARG 66 -4.700 -27.581 28.960 1.00 13.45 ATOM 1051 CZ ARG 66 -3.729 -29.112 28.123 1.00 71.23 ATOM 1052 NH1 ARG 66 -2.738 -29.983 28.248 1.00 24.50 ATOM 1053 HH11 ARG 66 -2.145 -29.991 29.048 1.00 52.52 ATOM 1054 HH12 ARG 66 -2.577 -30.654 27.521 1.00 62.24 ATOM 1055 NH2 ARG 66 -4.493 -29.135 27.038 1.00 41.31 ATOM 1056 HH21 ARG 66 -5.245 -28.480 26.938 1.00 14.40 ATOM 1057 HH22 ARG 66 -4.321 -29.807 26.314 1.00 34.44 ATOM 1058 C ARG 66 -3.914 -23.602 32.172 1.00 64.32 ATOM 1059 O ARG 66 -4.816 -22.810 31.901 1.00 50.00 ATOM 1060 N VAL 67 -2.637 -23.242 32.259 1.00 60.24 ATOM 1061 HN VAL 67 -1.959 -23.913 32.506 1.00 38.39 ATOM 1062 CA VAL 67 -2.214 -21.865 32.034 1.00 32.03 ATOM 1063 HA VAL 67 -3.091 -21.229 31.969 1.00 62.11 ATOM 1064 CB VAL 67 -1.342 -21.349 33.195 1.00 73.54 ATOM 1065 HB VAL 67 -0.392 -21.868 33.175 1.00 71.42 ATOM 1066 CG1 VAL 67 -1.072 -19.861 33.039 1.00 11.32 ATOM 1067 HG11 VAL 67 -0.538 -19.496 33.908 1.00 51.44 ATOM 1068 HG12 VAL 67 -2.007 -19.326 32.948 1.00 41.11 ATOM 1069 HG13 VAL 67 -0.473 -19.685 32.163 1.00 54.40 ATOM 1070 CG2 VAL 67 -2.007 -21.642 34.531 1.00 35.31 ATOM 1071 HG21 VAL 67 -2.110 -22.709 34.662 1.00 50.32 ATOM 1072 HG22 VAL 67 -2.984 -21.180 34.561 1.00 51.32 ATOM 1073 HG23 VAL 67 -1.400 -21.245 35.334 1.00 3.21 ATOM 1074 C VAL 67 -1.435 -21.735 30.731 1.00 44.14 ATOM 1075 O VAL 67 -1.378 -20.660 30.133 1.00 52.31 ATOM 1076 N HIS 68 -0.834 -22.838 30.294 1.00 52.41 ATOM 1077 HN HIS 68 -0.937 -23.676 30.782 1.00 38.39 ATOM 1078 CA HIS 68 -0.058 -22.847 29.059 1.00 22.41 ATOM 1079 HA HIS 68 0.091 -21.840 28.735 1.00 55.20 ATOM 1080 CB HIS 68 1.313 -23.481 29.299 1.00 71.03 ATOM 1081 HB1 HIS 68 1.915 -22.808 29.881 1.00 38.39 ATOM 1082 HB2 HIS 68 1.807 -23.659 28.353 1.00 71.14 ATOM 1083 CG HIS 68 1.251 -24.780 30.041 1.00 33.32 ATOM 1084 ND1 HIS 68 1.226 -24.860 31.418 1.00 71.14 ATOM 1085 HD1 HIS 68 1.246 -24.100 32.036 1.00 24.13 ATOM 1086 CD2 HIS 68 1.206 -26.056 29.591 1.00 43.00 ATOM 1087 HD2 HIS 68 1.208 -26.371 28.557 1.00 23.22 ATOM 1088 CE1 HIS 68 1.171 -26.129 31.782 1.00 52.31 ATOM 1089 HE1 HIS 68 1.141 -26.494 32.798 1.00 22.34 ATOM 1090 NE2 HIS 68 1.157 -26.875 30.692 1.00 4.02 ATOM 1091 HE2 HIS 68 1.025 -27.846 30.674 1.00 38.39 ATOM 1092 C HIS 68 -0.796 -23.604 27.959 1.00 31.42 ATOM 1093 O HIS 68 -1.151 -24.771 28.126 1.00 74.35 ATOM 1094 N VAL 69 -1.024 -22.932 26.835 1.00 34.24 ATOM 1095 HN VAL 69 -0.712 -22.001 26.755 1.00 38.39 ATOM 1096 CA VAL 69 -1.720 -23.541 25.708 1.00 20.31 ATOM 1097 HA VAL 69 -2.567 -24.102 26.095 1.00 11.22 ATOM 1098 CB VAL 69 -2.260 -22.473 24.738 1.00 31.35 ATOM 1099 HB VAL 69 -1.431 -21.909 24.344 1.00 72.00 ATOM 1100 CG1 VAL 69 -2.972 -23.129 23.565 1.00 44.45 ATOM 1101 HG11 VAL 69 -3.795 -23.713 23.937 1.00 14.41 ATOM 1102 HG12 VAL 69 -2.296 -23.757 23.008 1.00 64.34 ATOM 1103 HG13 VAL 69 -3.352 -22.362 22.907 1.00 13.44 ATOM 1104 CG2 VAL 69 -3.189 -21.514 25.467 1.00 3.30 ATOM 1105 HG21 VAL 69 -3.558 -20.769 24.775 1.00 44.04 ATOM 1106 HG22 VAL 69 -2.651 -21.021 26.264 1.00 24.21 ATOM 1107 HG23 VAL 69 -4.024 -22.061 25.883 1.00 72.35 ATOM 1108 C VAL 69 -0.803 -24.489 24.943 1.00 3.14 ATOM 1109 O VAL 69 0.384 -24.213 24.764 1.00 50.02 ATOM 1110 N THR 70 -1.360 -25.609 24.493 1.00 13.24 ATOM 1111 HN THR 70 -2.304 -25.779 24.666 1.00 38.39 ATOM 1112 CA THR 70 -0.593 -26.599 23.748 1.00 1.31 ATOM 1113 HA THR 70 0.461 -26.345 23.790 1.00 22.21 ATOM 1114 CB THR 70 -0.755 -28.006 24.353 1.00 65.24 ATOM 1115 HB THR 70 -0.089 -28.685 23.836 1.00 0.22 ATOM 1116 OG1 THR 70 -2.104 -28.458 24.189 1.00 4.31 ATOM 1117 HG1 THR 70 -2.126 -29.418 24.195 1.00 70.12 ATOM 1118 CG2 THR 70 -0.390 -28.006 25.829 1.00 0.05 ATOM 1119 HG21 THR 70 0.627 -27.661 25.953 1.00 31.52 ATOM 1120 HG22 THR 70 -0.477 -29.010 26.218 1.00 71.14 ATOM 1121 HG23 THR 70 -1.060 -27.354 26.370 1.00 53.32 ATOM 1122 C THR 70 -1.017 -26.635 22.284 1.00 10.13 ATOM 1123 O THR 70 -2.086 -26.140 21.927 1.00 65.14 ATOM 1124 N GLN 71 -0.173 -27.224 21.443 1.00 35.10 ATOM 1125 HN GLN 71 0.672 -27.599 21.791 1.00 38.39 ATOM 1126 CA GLN 71 -0.462 -27.324 20.017 1.00 35.24 ATOM 1127 HA GLN 71 -0.430 -26.328 19.601 1.00 33.33 ATOM 1128 CB GLN 71 0.592 -28.186 19.321 1.00 21.10 ATOM 1129 HB1 GLN 71 0.573 -29.175 19.758 1.00 38.39 ATOM 1130 HB2 GLN 71 1.568 -27.753 19.496 1.00 52.53 ATOM 1131 CG GLN 71 0.370 -28.328 17.824 1.00 72.30 ATOM 1132 HG1 GLN 71 -0.685 -28.352 17.595 1.00 38.39 ATOM 1133 HG2 GLN 71 0.811 -29.264 17.513 1.00 22.23 ATOM 1134 CD GLN 71 1.009 -27.206 17.030 1.00 71.21 ATOM 1135 OE1 GLN 71 0.903 -26.035 17.394 1.00 45.54 ATOM 1136 NE2 GLN 71 1.677 -27.559 15.938 1.00 21.30 ATOM 1137 HE21 GLN 71 1.752 -28.500 15.707 1.00 41.22 ATOM 1138 HE22 GLN 71 2.049 -26.852 15.398 1.00 63.55 ATOM 1139 C GLN 71 -1.851 -27.910 19.783 1.00 22.42 ATOM 1140 O GLN 71 -2.641 -27.368 19.011 1.00 21.42 ATOM 1141 N GLU 72 -2.140 -29.021 20.455 1.00 51.32 ATOM 1142 HN GLU 72 -1.462 -29.413 21.056 1.00 38.39 ATOM 1143 CA GLU 72 -3.433 -29.680 20.318 1.00 72.41 ATOM 1144 HA GLU 72 -3.499 -30.065 19.325 1.00 73.54 ATOM 1145 CB GLU 72 -3.545 -30.843 21.307 1.00 50.42 ATOM 1146 HB1 GLU 72 -4.548 -31.250 21.265 1.00 38.39 ATOM 1147 HB2 GLU 72 -3.365 -30.460 22.303 1.00 53.44 ATOM 1148 CG GLU 72 -2.570 -31.974 21.029 1.00 24.02 ATOM 1149 HG1 GLU 72 -1.645 -31.568 20.639 1.00 38.39 ATOM 1150 HG2 GLU 72 -3.007 -32.633 20.294 1.00 50.23 ATOM 1151 CD GLU 72 -2.250 -32.786 22.269 1.00 33.51 ATOM 1152 OE1 GLU 72 -3.127 -33.554 22.718 1.00 22.01 ATOM 1153 OE2 GLU 72 -1.123 -32.654 22.790 1.00 62.40 ATOM 1154 C GLU 72 -4.574 -28.693 20.545 1.00 34.23 ATOM 1155 O GLU 72 -5.633 -28.798 19.926 1.00 72.42 ATOM 1156 N ASP 73 -4.351 -27.735 21.438 1.00 62.21 ATOM 1157 HN ASP 73 -3.495 -27.710 21.918 1.00 38.39 ATOM 1158 CA ASP 73 -5.359 -26.728 21.748 1.00 72.23 ATOM 1159 HA ASP 73 -6.294 -27.234 21.953 1.00 53.01 ATOM 1160 CB ASP 73 -4.952 -25.933 22.989 1.00 32.34 ATOM 1161 HB1 ASP 73 -5.762 -25.279 23.277 1.00 38.39 ATOM 1162 HB2 ASP 73 -4.089 -25.349 22.757 1.00 20.22 ATOM 1163 CG ASP 73 -4.617 -26.829 24.166 1.00 41.21 ATOM 1164 OD1 ASP 73 -4.007 -26.331 25.135 1.00 40.10 ATOM 1165 OD2 ASP 73 -4.964 -28.028 24.117 1.00 5.22 ATOM 1166 C ASP 73 -5.564 -25.783 20.568 1.00 63.11 ATOM 1167 O ASP 73 -6.677 -25.322 20.314 1.00 62.42 ATOM 1168 N PHE 74 -4.482 -25.497 19.851 1.00 60.21 ATOM 1169 HN PHE 74 -3.613 -25.875 20.111 1.00 38.39 ATOM 1170 CA PHE 74 -4.542 -24.605 18.699 1.00 71.11 ATOM 1171 HA PHE 74 -5.096 -23.717 18.986 1.00 71.51 ATOM 1172 CB PHE 74 -3.131 -24.202 18.265 1.00 72.31 ATOM 1173 HB1 PHE 74 -3.132 -24.031 17.208 1.00 38.39 ATOM 1174 HB2 PHE 74 -2.437 -24.999 18.487 1.00 10.10 ATOM 1175 CG PHE 74 -2.637 -22.946 18.923 1.00 13.21 ATOM 1176 CD1 PHE 74 -1.972 -23.000 20.137 1.00 4.50 ATOM 1177 HD1 PHE 74 -1.809 -23.957 20.615 1.00 4.22 ATOM 1178 CD2 PHE 74 -2.839 -21.711 18.328 1.00 12.10 ATOM 1179 HD2 PHE 74 -3.357 -21.652 17.380 1.00 53.41 ATOM 1180 CE1 PHE 74 -1.515 -21.845 20.745 1.00 34.23 ATOM 1181 HE1 PHE 74 -1.013 -21.911 21.692 1.00 44.52 ATOM 1182 CE2 PHE 74 -2.385 -20.553 18.931 1.00 20.43 ATOM 1183 HE2 PHE 74 -2.549 -19.597 18.457 1.00 51.14 ATOM 1184 CZ PHE 74 -1.723 -20.620 20.142 1.00 74.41 ATOM 1185 HZ PHE 74 -1.367 -19.717 20.615 1.00 53.50 ATOM 1186 C PHE 74 -5.275 -25.267 17.536 1.00 63.43 ATOM 1187 O PHE 74 -6.250 -24.727 17.015 1.00 44.31 ATOM 1188 N GLU 75 -4.796 -26.441 17.134 1.00 14.12 ATOM 1189 HN GLU 75 -3.996 -26.802 17.581 1.00 38.39 ATOM 1190 CA GLU 75 -5.405 -27.176 16.032 1.00 61.32 ATOM 1191 HA GLU 75 -5.381 -26.546 15.153 1.00 63.44 ATOM 1192 CB GLU 75 -4.613 -28.453 15.743 1.00 71.33 ATOM 1193 HB1 GLU 75 -3.662 -28.175 15.310 1.00 38.39 ATOM 1194 HB2 GLU 75 -5.161 -29.047 15.020 1.00 64.42 ATOM 1195 CG GLU 75 -4.340 -29.293 16.979 1.00 21.11 ATOM 1196 HG1 GLU 75 -5.189 -29.273 17.633 1.00 38.39 ATOM 1197 HG2 GLU 75 -3.486 -28.891 17.485 1.00 12.13 ATOM 1198 CD GLU 75 -4.044 -30.743 16.646 1.00 15.42 ATOM 1199 OE1 GLU 75 -3.952 -31.560 17.586 1.00 12.33 ATOM 1200 OE2 GLU 75 -3.905 -31.060 15.447 1.00 73.04 ATOM 1201 C GLU 75 -6.857 -27.525 16.346 1.00 22.13 ATOM 1202 O GLU 75 -7.699 -27.586 15.451 1.00 32.42 ATOM 1203 N MET 76 -7.141 -27.753 17.624 1.00 22.53 ATOM 1204 HN MET 76 -6.429 -27.692 18.301 1.00 38.39 ATOM 1205 CA MET 76 -8.491 -28.096 18.057 1.00 4.35 ATOM 1206 HA MET 76 -8.796 -28.977 17.511 1.00 43.42 ATOM 1207 CB MET 76 -8.511 -28.378 19.561 1.00 65.10 ATOM 1208 HB1 MET 76 -9.445 -28.038 19.985 1.00 38.39 ATOM 1209 HB2 MET 76 -7.718 -27.822 20.036 1.00 23.41 ATOM 1210 CG MET 76 -8.336 -29.848 19.905 1.00 31.44 ATOM 1211 HG1 MET 76 -8.210 -29.941 20.973 1.00 38.39 ATOM 1212 HG2 MET 76 -7.457 -30.227 19.406 1.00 72.43 ATOM 1213 SD MET 76 -9.747 -30.852 19.402 1.00 11.21 ATOM 1214 CE MET 76 -11.070 -30.057 20.312 1.00 65.03 ATOM 1215 HE1 MET 76 -11.930 -30.710 20.339 1.00 21.22 ATOM 1216 HE2 MET 76 -11.338 -29.132 19.824 1.00 21.03 ATOM 1217 HE3 MET 76 -10.742 -29.851 21.320 1.00 21.52 ATOM 1218 C MET 76 -9.469 -26.973 17.726 1.00 21.22 ATOM 1219 O MET 76 -10.538 -27.214 17.167 1.00 33.31 ATOM 1220 N ALA 77 -9.095 -25.746 18.075 1.00 32.51 ATOM 1221 HN ALA 77 -8.227 -25.615 18.527 1.00 38.39 ATOM 1222 CA ALA 77 -9.939 -24.587 17.813 1.00 72.31 ATOM 1223 HA ALA 77 -10.878 -24.729 18.332 1.00 53.30 ATOM 1224 CB ALA 77 -9.288 -23.326 18.360 1.00 42.31 ATOM 1225 HB1 ALA 77 -9.785 -22.463 17.964 1.00 71.52 ATOM 1226 HB2 ALA 77 -8.249 -23.306 18.077 1.00 72.40 ATOM 1227 HB3 ALA 77 -9.360 -23.324 19.436 1.00 72.24 ATOM 1228 C ALA 77 -10.218 -24.437 16.321 1.00 24.12 ATOM 1229 O ALA 77 -11.318 -24.058 15.920 1.00 41.41 ATOM 1230 N VAL 78 -9.213 -24.736 15.503 1.00 34.53 ATOM 1231 HN VAL 78 -8.363 -25.051 15.882 1.00 38.39 ATOM 1232 CA VAL 78 -9.351 -24.635 14.055 1.00 24.03 ATOM 1233 HA VAL 78 -9.608 -23.611 13.812 1.00 43.13 ATOM 1234 CB VAL 78 -8.032 -24.986 13.341 1.00 72.43 ATOM 1235 HB VAL 78 -7.779 -26.012 13.567 1.00 1.20 ATOM 1236 CG1 VAL 78 -8.191 -24.860 11.833 1.00 14.43 ATOM 1237 HG11 VAL 78 -8.773 -25.687 11.455 1.00 40.40 ATOM 1238 HG12 VAL 78 -7.216 -24.874 11.372 1.00 74.31 ATOM 1239 HG13 VAL 78 -8.685 -23.929 11.588 1.00 23.43 ATOM 1240 CG2 VAL 78 -6.902 -24.100 13.842 1.00 32.12 ATOM 1241 HG21 VAL 78 -7.135 -23.066 13.638 1.00 21.11 ATOM 1242 HG22 VAL 78 -5.984 -24.364 13.335 1.00 13.20 ATOM 1243 HG23 VAL 78 -6.768 -24.232 14.893 1.00 71.40 ATOM 1244 C VAL 78 -10.454 -25.553 13.542 1.00 14.12 ATOM 1245 O VAL 78 -11.309 -25.136 12.760 1.00 24.44 ATOM 1246 N ALA 79 -10.430 -26.805 13.988 1.00 54.30 ATOM 1247 HN ALA 79 -9.716 -27.083 14.611 1.00 38.39 ATOM 1248 CA ALA 79 -11.431 -27.782 13.576 1.00 4.40 ATOM 1249 HA ALA 79 -11.405 -27.859 12.496 1.00 2.43 ATOM 1250 CB ALA 79 -11.099 -29.151 14.151 1.00 14.33 ATOM 1251 HB1 ALA 79 -10.107 -29.439 13.837 1.00 64.12 ATOM 1252 HB2 ALA 79 -11.813 -29.879 13.793 1.00 62.22 ATOM 1253 HB3 ALA 79 -11.135 -29.111 15.231 1.00 41.42 ATOM 1254 C ALA 79 -12.829 -27.350 14.005 1.00 41.24 ATOM 1255 O ALA 79 -13.824 -27.731 13.388 1.00 31.12 ATOM 1256 N LYS 80 -12.898 -26.553 15.065 1.00 3.43 ATOM 1257 HN LYS 80 -12.080 -26.300 15.545 1.00 38.39 ATOM 1258 CA LYS 80 -14.174 -26.068 15.577 1.00 0.31 ATOM 1259 HA LYS 80 -14.918 -26.845 15.446 1.00 43.03 ATOM 1260 CB LYS 80 -14.061 -25.751 17.070 1.00 31.32 ATOM 1261 HB1 LYS 80 -13.207 -25.108 17.225 1.00 38.39 ATOM 1262 HB2 LYS 80 -13.901 -26.679 17.603 1.00 50.31 ATOM 1263 CG LYS 80 -15.288 -25.061 17.640 1.00 11.20 ATOM 1264 HG1 LYS 80 -16.180 -25.533 17.246 1.00 38.39 ATOM 1265 HG2 LYS 80 -15.268 -24.022 17.339 1.00 61.01 ATOM 1266 CD LYS 80 -15.322 -25.146 19.157 1.00 42.23 ATOM 1267 HD1 LYS 80 -14.314 -25.115 19.541 1.00 38.39 ATOM 1268 HD2 LYS 80 -15.791 -26.075 19.445 1.00 74.55 ATOM 1269 CE LYS 80 -16.094 -23.984 19.763 1.00 34.30 ATOM 1270 HE1 LYS 80 -16.833 -23.624 19.057 1.00 38.39 ATOM 1271 HE2 LYS 80 -15.405 -23.199 19.985 1.00 23.14 ATOM 1272 NZ LYS 80 -16.792 -24.377 21.019 1.00 62.33 ATOM 1273 HZ1 LYS 80 -17.471 -25.144 20.831 1.00 42.23 ATOM 1274 HZ2 LYS 80 -17.310 -23.563 21.407 1.00 34.02 ATOM 1275 HZ3 LYS 80 -16.103 -24.703 21.729 1.00 74.44 ATOM 1276 C LYS 80 -14.629 -24.826 14.817 1.00 61.35 ATOM 1277 O LYS 80 -15.823 -24.622 14.600 1.00 54.15 ATOM 1278 N VAL 81 -13.669 -24.000 14.412 1.00 21.44 ATOM 1279 HN VAL 81 -12.728 -24.204 14.620 1.00 38.39 ATOM 1280 CA VAL 81 -13.971 -22.780 13.674 1.00 60.35 ATOM 1281 HA VAL 81 -14.788 -22.270 14.174 1.00 73.03 ATOM 1282 CB VAL 81 -12.760 -21.830 13.640 1.00 5.34 ATOM 1283 HB VAL 81 -11.937 -22.338 13.155 1.00 3.54 ATOM 1284 CG1 VAL 81 -13.084 -20.579 12.839 1.00 51.45 ATOM 1285 HG11 VAL 81 -14.011 -20.146 13.190 1.00 0.54 ATOM 1286 HG12 VAL 81 -13.174 -20.824 11.792 1.00 73.21 ATOM 1287 HG13 VAL 81 -12.288 -19.855 12.957 1.00 24.24 ATOM 1288 CG2 VAL 81 -12.327 -21.470 15.054 1.00 45.24 ATOM 1289 HG21 VAL 81 -12.493 -20.416 15.246 1.00 10.31 ATOM 1290 HG22 VAL 81 -11.279 -21.682 15.164 1.00 3.23 ATOM 1291 HG23 VAL 81 -12.875 -22.048 15.787 1.00 74.42 ATOM 1292 C VAL 81 -14.396 -23.095 12.244 1.00 44.25 ATOM 1293 O VAL 81 -15.143 -22.336 11.626 1.00 22.43 ATOM 1294 N MET 82 -13.914 -24.219 11.723 1.00 52.22 ATOM 1295 HN MET 82 -13.301 -24.783 12.247 1.00 38.39 ATOM 1296 CA MET 82 -14.246 -24.635 10.365 1.00 43.21 ATOM 1297 HA MET 82 -14.622 -23.782 9.812 1.00 52.11 ATOM 1298 CB MET 82 -12.998 -25.155 9.649 1.00 23.00 ATOM 1299 HB1 MET 82 -13.260 -25.360 8.621 1.00 38.39 ATOM 1300 HB2 MET 82 -12.682 -26.078 10.121 1.00 41.25 ATOM 1301 CG MET 82 -11.826 -24.188 9.690 1.00 2.24 ATOM 1302 HG1 MET 82 -11.228 -24.404 10.556 1.00 38.39 ATOM 1303 HG2 MET 82 -12.195 -23.173 9.755 1.00 52.51 ATOM 1304 SD MET 82 -10.773 -24.309 8.231 1.00 14.13 ATOM 1305 CE MET 82 -11.876 -23.684 6.966 1.00 51.12 ATOM 1306 HE1 MET 82 -11.312 -23.476 6.068 1.00 11.10 ATOM 1307 HE2 MET 82 -12.346 -22.776 7.314 1.00 23.13 ATOM 1308 HE3 MET 82 -12.634 -24.422 6.750 1.00 5.43 ATOM 1309 C MET 82 -15.326 -25.711 10.375 1.00 74.24 ATOM 1310 O MET 82 -16.082 -25.853 9.413 1.00 2.35 ATOM 1311 N GLN 83 -15.393 -26.467 11.466 1.00 11.31 ATOM 1312 HN GLN 83 -14.761 -26.338 12.203 1.00 38.39 ATOM 1313 CA GLN 83 -16.381 -27.531 11.599 1.00 52.32 ATOM 1314 HA GLN 83 -16.174 -28.063 12.515 1.00 63.24 ATOM 1315 CB GLN 83 -17.790 -26.940 11.675 1.00 33.45 ATOM 1316 HB1 GLN 83 -18.478 -27.735 11.931 1.00 38.39 ATOM 1317 HB2 GLN 83 -18.063 -26.538 10.707 1.00 12.34 ATOM 1318 CG GLN 83 -17.928 -25.826 12.700 1.00 40.43 ATOM 1319 HG1 GLN 83 -17.568 -24.905 12.266 1.00 38.39 ATOM 1320 HG2 GLN 83 -17.335 -26.073 13.567 1.00 14.31 ATOM 1321 CD GLN 83 -19.360 -25.623 13.153 1.00 74.11 ATOM 1322 OE1 GLN 83 -20.050 -24.718 12.683 1.00 12.20 ATOM 1323 NE2 GLN 83 -19.816 -26.467 14.071 1.00 71.41 ATOM 1324 HE21 GLN 83 -19.220 -27.173 14.411 1.00 54.43 ATOM 1325 HE22 GLN 83 -20.740 -26.352 14.377 1.00 20.14 ATOM 1326 C GLN 83 -16.289 -28.508 10.431 1.00 12.34 ATOM 1327 O GLN 83 -17.301 -29.029 9.963 1.00 73.41 ATOM 1328 N LYS 84 -15.069 -28.751 9.965 1.00 71.30 ATOM 1329 HN LYS 84 -14.290 -28.322 10.391 1.00 38.39 ATOM 1330 CA LYS 84 -14.843 -29.666 8.852 1.00 34.45 ATOM 1331 HA LYS 84 -15.418 -29.300 8.008 1.00 42.13 ATOM 1332 CB LYS 84 -13.362 -29.682 8.470 1.00 5.35 ATOM 1333 HB1 LYS 84 -12.811 -30.259 9.205 1.00 38.39 ATOM 1334 HB2 LYS 84 -12.992 -28.665 8.480 1.00 64.40 ATOM 1335 CG LYS 84 -13.095 -30.258 7.091 1.00 50.34 ATOM 1336 HG1 LYS 84 -13.368 -29.518 6.352 1.00 38.39 ATOM 1337 HG2 LYS 84 -13.700 -31.146 6.944 1.00 52.31 ATOM 1338 CD LYS 84 -11.628 -30.610 6.907 1.00 53.20 ATOM 1339 HD1 LYS 84 -11.009 -29.841 7.353 1.00 38.39 ATOM 1340 HD2 LYS 84 -11.419 -30.666 5.849 1.00 72.30 ATOM 1341 CE LYS 84 -11.295 -31.953 7.537 1.00 64.42 ATOM 1342 HE1 LYS 84 -11.463 -32.729 6.805 1.00 38.39 ATOM 1343 HE2 LYS 84 -11.934 -32.125 8.395 1.00 60.30 ATOM 1344 NZ LYS 84 -9.877 -32.018 7.988 1.00 42.24 ATOM 1345 HZ1 LYS 84 -9.689 -31.280 8.699 1.00 52.52 ATOM 1346 HZ2 LYS 84 -9.233 -31.880 7.181 1.00 23.22 ATOM 1347 HZ3 LYS 84 -9.683 -32.947 8.413 1.00 24.12 ATOM 1348 C LYS 84 -15.302 -31.077 9.207 1.00 74.33 ATOM 1349 O LYS 84 -14.818 -31.675 10.168 1.00 41.21 ATOM 1350 N ASP 85 -16.238 -31.604 8.424 1.00 24.11 ATOM 1351 HN ASP 85 -16.580 -31.079 7.668 1.00 38.39 ATOM 1352 CA ASP 85 -16.760 -32.946 8.654 1.00 60.12 ATOM 1353 HA ASP 85 -16.331 -33.350 9.563 1.00 34.04 ATOM 1354 CB ASP 85 -18.280 -32.903 8.821 1.00 23.14 ATOM 1355 HB1 ASP 85 -18.510 -32.493 9.794 1.00 38.39 ATOM 1356 HB2 ASP 85 -18.688 -33.904 8.758 1.00 21.22 ATOM 1357 CG ASP 85 -18.953 -32.039 7.774 1.00 14.50 ATOM 1358 OD1 ASP 85 -19.520 -32.602 6.814 1.00 15.03 ATOM 1359 OD2 ASP 85 -18.914 -30.798 7.914 1.00 34.55 ATOM 1360 C ASP 85 -16.389 -33.878 7.504 1.00 4.15 ATOM 1361 O ASP 85 -16.187 -35.076 7.704 1.00 42.32 ATOM 1362 N SER 86 -16.301 -33.320 6.301 1.00 14.34 ATOM 1363 HN SER 86 -16.504 -32.370 6.177 1.00 38.39 ATOM 1364 HA SER 86 -15.612 -35.082 5.425 1.00 54.12 ATOM 1365 CB SER 86 -17.189 -34.281 4.227 1.00 71.11 ATOM 1366 HB1 SER 86 -17.650 -33.319 4.055 1.00 38.39 ATOM 1367 HB2 SER 86 -17.894 -34.936 4.717 1.00 12.34 ATOM 1368 OG SER 86 -16.834 -34.847 2.977 1.00 34.32 ATOM 1369 HG SER 86 -17.599 -34.850 2.398 1.00 72.32 ATOM 1370 CA SER 86 -15.959 -34.102 5.119 1.00 53.51 ATOM 1371 C SER 86 -14.838 -33.431 4.330 1.00 33.42 ATOM 1372 OT1 SER 86 -13.802 -34.090 4.095 1.00 38.39 ATOM 1373 OT2 SER 86 -14.997 -32.246 3.961 1.00 38.39 ATOM 1374 OH2 TIP3 1 -26.956 -32.138 4.905 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -27.326 -32.940 4.536 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -26.015 -32.307 4.952 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.431 -28.159 3.291 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.811 -28.836 3.018 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -19.639 -28.377 4.199 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -13.196 -42.169 6.044 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -13.147 -41.559 6.780 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -12.770 -41.708 5.321 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -18.718 -39.376 5.511 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.575 -40.323 5.531 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.824 -39.169 4.582 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.841 -41.144 1.184 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.195 -41.473 1.809 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -17.331 -40.626 0.561 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -23.787 -37.328 2.761 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -23.171 -37.854 3.270 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -24.373 -37.968 2.357 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -12.804 -40.691 8.280 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -13.493 -40.033 8.185 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -12.789 -40.888 9.217 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -19.384 -32.857 0.401 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -19.680 -33.179 -0.450 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -19.708 -31.957 0.443 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -24.184 -34.681 7.145 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -24.924 -34.083 7.248 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -23.470 -34.127 6.829 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.077 -41.853 3.165 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.292 -42.619 3.697 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -15.421 -41.381 3.678 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -25.776 -32.717 7.932 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -25.782 -31.838 7.554 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -26.630 -32.800 8.357 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -17.778 -29.643 2.052 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -17.353 -30.350 1.567 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -17.461 -28.842 1.635 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -20.460 -36.214 -1.190 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -21.172 -35.679 -1.541 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -19.769 -36.158 -1.850 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -24.042 -31.946 4.326 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -24.137 -32.524 3.569 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -23.313 -32.317 4.822 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -25.042 -36.605 5.278 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -24.477 -36.484 4.515 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -24.723 -35.968 5.917 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -24.162 -32.206 9.995 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -24.474 -31.424 10.451 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -24.812 -32.359 9.309 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -18.183 -36.842 -2.553 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -17.604 -36.692 -1.806 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -17.769 -36.371 -3.276 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -20.457 -30.105 0.882 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -19.983 -29.810 1.660 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -21.020 -29.367 0.649 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -25.923 -30.134 10.759 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -25.915 -30.270 9.811 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -26.839 -30.252 11.011 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.214 -28.069 -0.951 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.149 -27.969 -0.772 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -17.934 -28.778 -0.373 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.226 -39.002 11.095 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -15.633 -38.521 10.375 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.185 -39.907 10.788 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -17.469 -40.670 9.316 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -17.983 -40.796 10.113 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -17.624 -39.758 9.071 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -16.706 -35.809 -4.923 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.664 -36.032 -5.853 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.857 -35.411 -4.733 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -19.834 -38.545 -0.088 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -20.243 -37.730 -0.380 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -19.114 -38.685 -0.703 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.732 -38.370 11.400 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -21.295 -39.074 11.720 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -19.906 -38.490 11.867 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -18.830 -39.099 2.726 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -19.025 -38.494 2.011 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -18.648 -39.933 2.291 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -19.566 -37.461 7.397 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -19.242 -38.092 6.754 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -20.006 -37.996 8.058 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -18.383 -42.299 5.445 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -19.060 -42.168 6.109 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.869 -42.454 4.635 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -21.468 -38.746 4.068 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -20.904 -39.293 3.521 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -21.616 -39.268 4.857 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -22.298 -34.145 -1.833 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -23.042 -34.652 -2.156 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -22.432 -34.096 -0.887 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -17.682 -39.464 -1.973 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -16.790 -39.601 -1.654 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -17.625 -38.673 -2.510 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -20.172 -32.686 -2.808 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -20.467 -31.860 -2.426 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -20.875 -33.306 -2.612 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -23.148 -36.872 11.464 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -23.444 -37.038 10.569 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -22.217 -37.092 11.454 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.797 -39.254 -2.279 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -13.351 -39.650 -2.951 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -12.696 -38.344 -2.556 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -14.501 -30.468 -1.814 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -14.874 -31.294 -1.504 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.224 -30.651 -2.711 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -24.798 -31.332 1.341 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -24.271 -30.559 1.140 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -25.678 -31.107 1.039 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -23.371 -33.669 0.917 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -23.612 -32.744 0.959 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -24.111 -34.128 1.313 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -22.856 -29.520 7.232 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -22.493 -28.665 6.999 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -22.324 -29.812 7.973 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.109 -32.492 -3.993 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -16.756 -32.872 -3.189 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -18.058 -32.585 -3.907 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -16.243 -33.819 -1.767 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -16.520 -34.547 -1.211 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.316 -33.700 -1.561 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -19.796 -41.895 7.699 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -19.098 -41.821 8.349 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -20.177 -42.759 7.854 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.276 -39.529 8.816 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -21.157 -38.955 9.573 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -20.621 -40.217 8.931 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -15.072 -41.622 9.651 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -15.988 -41.359 9.563 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -14.736 -41.625 8.754 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -25.072 -29.025 13.217 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -24.304 -29.484 13.558 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -25.093 -29.251 12.287 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -23.107 -34.164 11.984 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -23.435 -33.893 11.126 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -22.955 -35.105 11.896 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -19.963 -35.454 12.623 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -19.010 -35.370 12.595 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -20.123 -36.165 13.242 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -22.649 -36.761 8.160 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -21.898 -36.917 7.587 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -22.988 -35.909 7.884 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -18.233 -38.946 13.188 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -18.041 -39.877 13.077 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -17.376 -38.521 13.178 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -19.445 -41.295 10.991 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -20.393 -41.263 11.123 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -19.133 -41.920 11.645 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -13.352 -34.351 -1.328 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -12.502 -33.930 -1.200 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.347 -35.091 -0.720 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -12.958 -36.298 0.496 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -13.684 -36.777 0.894 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -12.377 -36.092 1.228 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -12.690 -36.397 -3.113 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -13.211 -36.040 -3.832 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -12.723 -35.722 -2.435 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -12.818 -37.904 11.382 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -13.681 -38.283 11.217 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -12.214 -38.643 11.308 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -15.461 -40.194 -0.479 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -15.181 -41.101 -0.354 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -14.702 -39.760 -0.868 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -14.849 -39.613 4.957 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -13.916 -39.401 4.923 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.084 -39.511 5.880 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -14.820 -38.876 7.733 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -15.663 -38.608 8.099 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -14.377 -38.054 7.522 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -15.929 -27.875 1.170 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -15.276 -28.222 0.562 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -15.418 -27.386 1.816 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -25.590 -29.971 7.972 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -26.015 -29.162 7.689 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -24.685 -29.886 7.670 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -25.721 -27.115 7.049 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -26.586 -27.043 7.453 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -25.776 -26.568 6.265 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -21.010 -27.227 6.225 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -21.467 -26.698 5.571 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -20.847 -26.624 6.950 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -24.095 -28.912 4.433 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -23.882 -29.800 4.146 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -24.030 -28.946 5.388 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -13.949 -28.095 -0.822 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -14.143 -28.843 -1.387 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -13.988 -27.337 -1.406 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -16.542 -33.264 21.935 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -16.983 -33.984 22.385 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -16.555 -32.543 22.565 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -19.431 -28.159 22.147 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -18.811 -28.836 21.874 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -19.639 -28.377 23.055 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -17.778 -29.643 20.908 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -17.353 -30.350 20.423 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -17.461 -28.842 20.491 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -16.619 -31.742 19.417 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -16.876 -32.432 18.805 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -16.548 -32.185 20.262 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -20.406 -37.756 14.705 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -19.705 -37.734 15.356 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -20.104 -38.384 14.049 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -13.091 -36.836 25.960 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -13.743 -36.141 26.049 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -12.626 -36.626 25.150 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -17.157 -37.830 27.686 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -17.077 -37.067 28.258 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -17.758 -37.551 26.995 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -18.733 -31.102 24.868 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -18.974 -30.440 25.516 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -18.931 -31.936 25.293 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -20.457 -30.105 19.738 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -19.983 -29.810 20.516 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -21.020 -29.367 19.505 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -20.985 -27.149 18.153 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -21.060 -27.270 17.207 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -20.952 -26.199 18.272 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -18.214 -28.069 17.905 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -19.149 -27.969 18.084 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -17.934 -28.778 18.483 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -15.226 -39.002 29.951 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.633 -38.521 29.231 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -15.185 -39.907 29.644 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -16.706 -35.809 13.933 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -16.664 -36.032 13.003 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.857 -35.411 14.123 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.148 -35.012 25.809 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -14.506 -34.555 25.266 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -15.978 -34.899 25.347 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -20.778 -33.961 28.260 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -21.124 -34.342 29.066 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -20.978 -33.027 28.331 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -20.172 -32.686 16.048 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -20.467 -31.860 16.430 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -20.875 -33.306 16.244 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -18.528 -31.499 28.210 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -19.429 -31.316 27.942 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -18.494 -31.240 29.131 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -14.501 -30.468 17.042 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.874 -31.294 17.352 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -14.224 -30.651 16.145 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -17.341 -35.660 24.064 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -18.269 -35.892 24.037 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -16.890 -36.437 23.734 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -24.687 -28.647 19.318 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -25.637 -28.542 19.370 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -24.336 -27.827 19.663 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -19.312 -33.421 25.789 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -19.738 -33.648 26.615 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -18.731 -34.159 25.606 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -17.109 -32.492 14.863 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -16.756 -32.872 15.667 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -18.058 -32.585 14.949 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.243 -33.819 17.089 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -16.520 -34.547 17.645 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.316 -33.700 17.295 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -23.018 -31.380 13.310 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -22.779 -32.128 12.762 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -23.287 -31.768 14.142 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -24.081 -31.810 15.766 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -23.934 -32.330 16.556 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -24.084 -30.903 16.072 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -21.343 -30.112 16.515 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -22.160 -29.615 16.568 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -20.814 -29.637 15.875 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -24.005 -29.069 16.497 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -23.844 -28.269 15.996 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -24.202 -28.762 17.382 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.495 -30.645 30.802 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -18.846 -31.501 31.045 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -17.769 -30.502 31.409 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -20.069 -32.743 13.275 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -20.337 -32.563 14.176 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -20.275 -33.669 13.144 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -17.372 -34.248 28.223 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -16.627 -33.660 28.103 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.129 -33.666 28.286 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -13.811 -35.220 13.553 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -14.084 -35.645 12.740 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -13.771 -34.289 13.336 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -16.917 -36.157 30.122 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -17.198 -35.448 29.544 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -15.974 -36.230 29.971 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -13.352 -34.351 17.528 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -12.502 -33.930 17.656 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -13.347 -35.091 18.136 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -12.958 -36.298 19.352 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -13.684 -36.777 19.750 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.377 -36.092 20.084 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -12.690 -36.397 15.743 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -13.211 -36.040 15.024 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -12.723 -35.722 16.421 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -14.341 -39.157 14.294 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -14.244 -38.490 13.614 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -14.481 -39.973 13.812 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -14.315 -35.807 29.554 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -13.732 -36.541 29.745 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -13.751 -35.035 29.600 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -12.818 -37.904 30.238 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -13.681 -38.283 30.073 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -12.214 -38.643 30.164 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.820 -38.876 26.589 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -15.663 -38.608 26.955 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.377 -38.054 26.378 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.934 -27.287 29.031 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.257 -27.919 28.791 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.612 -26.885 29.839 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -21.010 -27.227 25.081 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -21.467 -26.698 24.427 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -20.847 -26.624 25.806 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -18.683 -28.349 26.026 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -19.587 -28.184 25.760 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -18.254 -27.496 25.960 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -16.542 -33.264 40.791 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -16.983 -33.984 41.241 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -16.555 -32.543 41.421 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -17.778 -29.643 39.764 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -17.353 -30.350 39.279 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -17.461 -28.842 39.347 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -16.619 -31.742 38.273 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -16.876 -32.432 37.661 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -16.548 -32.185 39.118 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -17.883 -27.995 34.012 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -17.508 -28.739 33.541 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -17.879 -28.265 34.930 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -16.706 -35.809 32.789 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -16.664 -36.032 31.859 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -15.857 -35.411 32.979 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -17.109 -32.492 33.719 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -16.756 -32.872 34.523 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -18.058 -32.585 33.805 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -16.243 -33.819 35.945 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -16.520 -34.547 36.501 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -15.316 -33.700 36.151 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -16.376 -29.700 32.538 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -16.093 -30.494 32.991 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -15.636 -29.467 31.977 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -20.069 -32.743 32.131 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -20.337 -32.563 33.032 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -20.275 -33.669 32.000 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -13.811 -35.220 32.409 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -14.084 -35.645 31.596 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.771 -34.289 32.192 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -12.667 -27.965 43.310 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -12.689 -27.780 44.249 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -11.977 -27.396 42.969 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -13.352 -34.351 36.384 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -12.502 -33.930 36.512 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -13.347 -35.091 36.992 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -12.958 -36.298 38.208 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -13.684 -36.777 38.606 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -12.377 -36.092 38.940 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -13.199 -33.513 43.156 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.365 -33.891 42.875 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -13.087 -32.570 43.037 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -12.690 -36.397 34.599 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -13.211 -36.040 33.880 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -12.723 -35.722 35.277 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -15.929 -27.875 38.882 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -15.276 -28.222 38.274 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -15.418 -27.386 39.528 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -13.949 -28.095 36.890 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -14.143 -28.843 36.325 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -13.988 -27.337 36.306 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -16.542 -14.408 -15.777 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.983 -15.128 -15.327 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -16.555 -13.687 -15.147 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -19.431 -9.303 -15.565 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -18.811 -9.980 -15.838 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -19.639 -9.521 -14.657 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -13.196 -23.313 -12.812 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -13.147 -22.703 -12.076 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.770 -22.852 -13.535 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -12.804 -21.835 -10.576 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.493 -21.177 -10.671 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -12.789 -22.032 -9.639 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -19.384 -14.001 -18.455 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -19.680 -14.323 -19.306 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -19.708 -13.101 -18.413 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -17.778 -10.787 -16.804 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -17.353 -11.494 -17.289 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -17.461 -9.986 -17.221 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.619 -12.886 -18.295 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.876 -13.576 -18.907 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.548 -13.329 -17.450 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -17.157 -18.974 -10.026 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.077 -18.211 -9.454 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -17.758 -18.695 -10.717 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -18.733 -12.246 -12.844 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.974 -11.584 -12.196 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.931 -13.080 -12.419 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -20.457 -11.249 -17.974 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -19.983 -10.954 -17.196 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -21.020 -10.511 -18.207 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.214 -9.213 -19.807 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.149 -9.113 -19.628 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -17.934 -9.922 -19.229 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -15.226 -20.146 -7.761 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -15.633 -19.665 -8.481 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -15.185 -21.051 -8.068 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -17.469 -21.814 -9.540 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -17.983 -21.940 -8.743 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -17.624 -20.902 -9.785 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -15.096 -7.771 -7.134 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.896 -7.347 -7.969 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.440 -7.428 -6.527 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -18.528 -12.643 -9.502 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -19.429 -12.460 -9.770 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -18.494 -12.384 -8.581 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -14.501 -11.612 -20.670 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -14.874 -12.438 -20.360 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -14.224 -11.795 -21.567 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -17.341 -16.804 -13.648 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -18.269 -17.036 -13.675 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -16.890 -17.581 -13.978 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -19.312 -14.565 -11.923 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -19.738 -14.792 -11.097 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -18.731 -15.303 -12.106 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -16.653 -10.013 -9.454 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -17.255 -10.568 -9.949 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -16.372 -9.346 -10.080 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -15.072 -22.766 -9.205 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -15.988 -22.503 -9.293 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -14.736 -22.769 -10.102 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -16.470 -19.015 -15.109 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.267 -19.430 -15.438 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -16.025 -19.706 -14.618 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.495 -11.789 -6.910 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -18.846 -12.645 -6.667 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -17.769 -11.646 -6.303 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.372 -15.392 -9.489 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -16.627 -14.804 -9.609 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -18.129 -14.810 -9.426 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -19.963 -16.598 -6.233 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -19.010 -16.514 -6.261 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -20.123 -17.309 -5.614 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -18.233 -20.090 -5.668 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -18.041 -21.021 -5.779 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -17.376 -19.665 -5.678 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -16.917 -17.301 -7.590 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -17.198 -16.592 -8.168 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -15.974 -17.374 -7.741 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -17.811 -23.805 -5.860 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -17.908 -24.757 -5.866 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -18.133 -23.536 -4.999 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -13.352 -15.495 -20.184 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -12.502 -15.074 -20.056 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -13.347 -16.235 -19.576 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -12.958 -17.442 -18.360 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -13.684 -17.921 -17.962 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -12.377 -17.236 -17.628 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -15.171 -18.921 -17.797 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -15.321 -19.866 -17.817 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -15.525 -18.640 -16.953 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -14.849 -20.757 -13.899 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -13.916 -20.545 -13.933 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -15.084 -20.655 -12.976 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -14.820 -20.020 -11.123 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -15.663 -19.752 -10.757 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -14.377 -19.198 -11.334 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -12.537 -26.040 -5.769 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -12.187 -26.694 -6.375 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -12.390 -25.203 -6.209 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -13.017 -23.931 -7.420 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -13.934 -23.660 -7.456 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -12.894 -24.466 -8.204 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -15.929 -9.019 -17.686 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -15.276 -9.366 -18.294 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -15.418 -8.530 -17.040 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -18.934 -8.431 -8.681 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -18.257 -9.063 -8.921 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -18.612 -8.029 -7.873 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -21.010 -8.371 -12.631 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -21.467 -7.842 -13.285 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.847 -7.768 -11.906 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.683 -9.493 -11.686 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -19.587 -9.328 -11.952 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -18.254 -8.640 -11.752 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -13.949 -9.239 -19.678 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -14.143 -9.987 -20.243 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -13.988 -8.481 -20.262 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.248 -17.347 4.777 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -20.286 -17.993 5.482 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -20.571 -17.813 4.006 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.542 -14.408 3.079 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -16.983 -15.128 3.529 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -16.555 -13.687 3.709 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -18.718 -20.520 5.511 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -18.575 -21.467 5.531 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -18.824 -20.313 4.582 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -17.841 -22.288 1.184 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -17.195 -22.617 1.809 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -17.331 -21.770 0.561 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -16.077 -22.997 3.165 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -16.292 -23.763 3.697 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -15.421 -22.525 3.678 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -16.030 -12.568 5.427 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -16.972 -12.510 5.588 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -15.754 -11.662 5.290 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -22.727 -26.195 4.310 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -22.844 -27.144 4.256 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -23.582 -25.863 4.583 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -16.619 -12.886 0.561 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -16.876 -13.576 -0.051 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -16.548 -13.329 1.406 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -17.054 -17.148 -0.238 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -17.786 -16.920 0.335 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -16.607 -17.862 0.217 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.157 -18.974 8.830 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -17.077 -18.211 9.402 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -17.758 -18.695 8.139 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.733 -12.246 6.012 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.974 -11.584 6.660 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -18.931 -13.080 6.437 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -18.183 -17.986 -2.553 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -17.604 -17.836 -1.806 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -17.769 -17.515 -3.276 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -17.883 -9.139 -3.700 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -17.508 -9.883 -4.171 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -17.879 -9.409 -2.782 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -20.795 -25.570 8.462 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -20.375 -25.985 9.215 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -21.728 -25.748 8.579 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -16.706 -16.953 -4.923 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -16.664 -17.176 -5.853 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -15.857 -16.555 -4.733 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -20.732 -19.514 11.400 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -21.295 -20.218 11.720 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.906 -19.634 11.867 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -18.830 -20.243 2.726 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -19.025 -19.638 2.011 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -18.648 -21.077 2.291 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -19.566 -18.605 7.397 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -19.242 -19.236 6.754 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -20.006 -19.140 8.058 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.383 -23.443 5.445 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -19.060 -23.312 6.109 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -18.869 -23.598 4.635 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.096 -7.771 11.722 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -14.896 -7.347 10.887 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -14.440 -7.428 12.329 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -22.842 -21.502 6.482 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -23.677 -21.048 6.592 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -22.318 -21.226 7.234 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -18.400 -22.475 -3.634 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -19.338 -22.363 -3.785 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -18.103 -21.618 -3.328 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -17.682 -20.608 -1.973 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -16.790 -20.745 -1.654 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -17.625 -19.817 -2.510 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -23.148 -18.016 11.464 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -23.444 -18.182 10.569 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -22.217 -18.236 11.454 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -18.528 -12.643 9.354 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -19.429 -12.460 9.086 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -18.494 -12.384 10.275 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -14.501 -11.612 -1.814 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -14.874 -12.438 -1.504 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -14.224 -11.795 -2.711 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -17.341 -16.804 5.208 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -18.269 -17.036 5.181 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -16.890 -17.581 4.878 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -19.312 -14.565 6.933 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -19.738 -14.792 7.759 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -18.731 -15.303 6.750 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -17.109 -13.636 -3.993 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -16.756 -14.016 -3.189 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -18.058 -13.729 -3.907 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -16.653 -10.013 9.402 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -17.255 -10.568 8.907 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -16.372 -9.346 8.776 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -12.605 -9.156 -3.792 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -11.862 -8.570 -3.932 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -13.300 -8.588 -3.459 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -16.243 -14.963 -1.767 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -16.520 -15.691 -1.211 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -15.316 -14.844 -1.561 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -19.796 -23.039 7.699 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -19.098 -22.965 8.349 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -20.177 -23.903 7.854 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -21.276 -20.673 8.816 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -21.157 -20.099 9.573 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -20.621 -21.361 8.931 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -16.470 -19.015 3.747 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.267 -19.430 3.418 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -16.025 -19.706 4.238 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -15.383 -9.759 5.369 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -15.539 -9.081 4.712 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -14.451 -9.687 5.572 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -18.495 -11.789 11.946 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -18.846 -12.645 12.189 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -17.769 -11.646 12.553 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -16.376 -10.844 -5.174 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -16.093 -11.638 -4.721 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -15.636 -10.611 -5.735 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -20.069 -13.887 -5.581 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -20.337 -13.707 -4.680 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -20.275 -14.813 -5.712 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.372 -15.392 9.367 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -16.627 -14.804 9.247 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -18.129 -14.810 9.430 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -19.963 -16.598 12.623 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.010 -16.514 12.595 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -20.123 -17.309 13.242 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -24.643 -21.714 10.428 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -24.493 -22.443 9.825 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -24.641 -20.937 9.869 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -24.231 -23.344 7.920 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -23.695 -22.893 7.268 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -25.083 -23.452 7.498 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -18.233 -20.090 13.188 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -18.041 -21.021 13.077 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -17.376 -19.665 13.178 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.917 -17.301 11.266 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -17.198 -16.592 10.688 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.974 -17.374 11.115 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -26.165 -20.516 12.339 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -26.932 -21.048 12.129 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -25.486 -20.826 11.740 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -23.425 -25.888 8.352 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -23.523 -24.941 8.246 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -24.168 -26.260 7.876 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -23.203 -26.594 11.023 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -22.491 -27.234 11.009 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -23.304 -26.327 10.109 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -12.667 -9.109 5.598 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -12.689 -8.924 6.537 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -11.977 -8.540 5.257 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -12.958 -17.442 0.496 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -13.684 -17.921 0.894 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -12.377 -17.236 1.228 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -15.171 -18.921 1.059 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -15.321 -19.866 1.039 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -15.525 -18.640 1.903 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -15.093 -22.893 -5.445 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -14.483 -23.265 -4.808 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -15.930 -23.315 -5.249 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -15.461 -21.338 -0.479 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -15.181 -22.245 -0.354 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -14.702 -20.904 -0.868 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -14.849 -20.757 4.957 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -13.916 -20.545 4.923 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -15.084 -20.655 5.880 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -14.847 -24.075 -0.430 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -14.665 -24.524 0.395 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -15.447 -24.660 -0.894 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -12.981 -24.008 -3.902 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -12.568 -24.729 -4.378 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -12.299 -23.338 -3.844 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -18.934 -8.431 10.175 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.257 -9.063 9.935 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -18.612 -8.029 10.983 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -18.683 -9.493 7.170 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -19.587 -9.328 6.904 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.254 -8.640 7.104 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -16.078 -7.923 7.465 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -16.260 -7.007 7.254 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -15.902 -8.333 6.618 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -20.586 -24.392 3.578 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -21.261 -25.021 3.833 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -20.022 -24.876 2.975 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.444 -26.285 3.690 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -14.840 -25.737 3.189 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.313 -25.965 3.450 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -13.717 -25.146 2.024 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -13.105 -25.660 1.497 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -13.334 -24.268 2.047 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -18.123 -25.801 2.862 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -18.047 -25.706 1.913 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -18.399 -26.709 2.991 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -13.949 -9.239 -0.822 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.143 -9.987 -1.387 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -13.988 -8.481 -1.406 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -26.329 -25.893 12.453 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -25.430 -26.167 12.268 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -26.715 -26.636 12.917 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -19.181 -16.602 20.214 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -19.092 -15.658 20.082 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -19.820 -16.877 19.556 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -20.248 -17.347 23.633 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -20.286 -17.993 24.338 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -20.571 -17.813 22.862 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -16.542 -14.408 21.935 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -16.983 -15.128 22.385 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -16.555 -13.687 22.565 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -18.718 -20.520 24.367 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -18.575 -21.467 24.387 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -18.824 -20.313 23.438 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -19.384 -14.001 19.257 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -19.680 -14.323 18.406 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -19.708 -13.101 19.299 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.030 -12.568 24.283 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -16.972 -12.510 24.444 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -15.754 -11.662 24.146 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -15.730 -24.282 25.700 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.466 -23.671 25.662 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -15.046 -23.867 25.174 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -22.727 -26.195 23.166 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -22.844 -27.144 23.112 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -23.582 -25.863 23.439 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -17.778 -10.787 20.908 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -17.353 -11.494 20.423 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.461 -9.986 20.491 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -16.619 -12.886 19.417 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -16.876 -13.576 18.805 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -16.548 -13.329 20.262 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.933 -14.320 27.894 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.793 -14.911 27.155 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -14.765 -13.447 27.538 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -20.460 -17.358 17.666 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -21.172 -16.823 17.315 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -19.769 -17.302 17.006 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -20.406 -18.900 14.705 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -19.705 -18.878 15.356 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -20.104 -19.528 14.049 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -17.054 -17.148 18.618 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -17.786 -16.920 19.191 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -16.607 -17.862 19.073 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -18.183 -17.986 16.303 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -17.604 -17.836 17.050 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -17.769 -17.515 15.580 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -20.457 -11.249 19.738 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -19.983 -10.954 20.516 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -21.020 -10.511 19.505 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -17.883 -9.139 15.156 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -17.508 -9.883 14.685 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -17.879 -9.409 16.074 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -18.214 -9.213 17.905 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -19.149 -9.113 18.084 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -17.934 -9.922 18.483 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -20.795 -25.570 27.318 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -20.375 -25.985 28.071 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -21.728 -25.748 27.435 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -17.469 -21.814 28.172 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -17.983 -21.940 28.969 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -17.624 -20.902 27.927 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -16.706 -16.953 13.933 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -16.664 -17.176 13.003 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -15.857 -16.555 14.123 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -19.834 -19.689 18.768 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -20.243 -18.874 18.476 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -19.114 -19.829 18.153 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -20.732 -19.514 30.256 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -21.295 -20.218 30.576 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -19.906 -19.634 30.723 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -18.830 -20.243 21.582 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -19.025 -19.638 20.867 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -18.648 -21.077 21.147 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -24.251 -22.632 13.704 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -24.682 -23.077 14.434 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -24.969 -22.260 13.192 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -19.566 -18.605 26.253 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -19.242 -19.236 25.610 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -20.006 -19.140 26.914 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -22.788 -22.678 21.037 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -23.699 -22.621 21.326 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -22.283 -22.738 21.848 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -24.307 -21.049 17.520 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -23.375 -20.920 17.698 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -24.522 -20.379 16.871 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -25.633 -19.854 15.087 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -26.175 -20.234 14.396 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -24.799 -19.660 14.658 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -21.468 -19.890 22.924 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -20.904 -20.437 22.377 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -21.616 -20.412 23.713 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -22.842 -21.502 25.338 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -23.677 -21.048 25.448 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -22.318 -21.226 26.090 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -17.682 -20.608 16.883 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -16.790 -20.745 17.202 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -17.625 -19.817 16.346 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -12.833 -14.598 29.414 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -13.685 -14.360 29.047 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -12.243 -14.615 28.661 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -17.341 -16.804 24.064 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -18.269 -17.036 24.037 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -16.890 -17.581 23.734 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -19.312 -14.565 25.789 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -19.738 -14.792 26.615 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -18.731 -15.303 25.606 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -17.109 -13.636 14.863 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -16.756 -14.016 15.667 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -18.058 -13.729 14.949 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -16.243 -14.963 17.089 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -16.520 -15.691 17.645 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -15.316 -14.844 17.295 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -19.796 -23.039 26.555 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -19.098 -22.965 27.205 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -20.177 -23.903 26.710 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -21.812 -21.659 18.487 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -21.000 -21.155 18.533 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -22.057 -21.804 19.401 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -21.276 -20.673 27.672 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -21.157 -20.099 28.429 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -20.621 -21.361 27.787 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -20.928 -24.578 19.425 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -21.275 -23.960 20.070 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -20.270 -24.077 18.944 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -25.271 -23.515 16.113 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -25.354 -22.626 16.459 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -24.381 -23.780 16.344 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -15.383 -9.759 24.225 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -15.539 -9.081 23.568 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -14.451 -9.687 24.428 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -16.376 -10.844 13.682 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.093 -11.638 14.135 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.636 -10.611 13.121 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -20.069 -13.887 13.275 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -20.337 -13.707 14.176 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -20.275 -14.813 13.144 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -17.372 -15.392 28.223 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -16.627 -14.804 28.103 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -18.129 -14.810 28.286 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -23.201 -18.719 14.108 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -23.381 -18.873 13.180 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -22.250 -18.611 14.152 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -18.233 -20.090 32.044 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -18.041 -21.021 31.933 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -17.376 -19.665 32.034 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.917 -17.301 30.122 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -17.198 -16.592 29.544 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -15.974 -17.374 29.971 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -19.445 -22.439 29.847 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -20.393 -22.407 29.979 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -19.133 -23.064 30.501 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -17.811 -23.805 31.852 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -17.908 -24.757 31.846 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -18.133 -23.536 32.713 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -12.667 -9.109 24.454 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -12.689 -8.924 25.393 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -11.977 -8.540 24.113 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -14.653 -13.752 32.014 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -15.519 -13.857 32.408 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -14.277 -12.993 32.461 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -14.712 -11.779 26.607 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.360 -11.454 27.232 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -15.230 -12.219 25.932 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -15.929 -9.019 20.026 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.276 -9.366 19.418 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -15.418 -8.530 20.672 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -20.586 -24.392 22.434 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -21.261 -25.021 22.689 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -20.022 -24.876 21.831 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -23.680 -25.831 20.069 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -22.806 -25.443 20.039 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -23.816 -26.046 20.992 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -27.562 -24.044 14.502 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -27.071 -24.674 13.974 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -26.939 -23.748 15.165 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -22.536 -23.751 16.959 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -22.358 -24.397 17.642 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -22.590 -22.917 17.426 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -17.907 -26.561 31.491 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -17.831 -26.987 32.345 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -17.014 -26.547 31.149 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -14.485 -26.236 34.972 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -15.384 -26.097 35.267 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -14.233 -25.405 34.570 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -16.706 -16.953 32.789 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -16.664 -17.176 31.859 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -15.857 -16.555 32.979 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -12.797 -20.398 35.433 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -13.351 -20.794 34.761 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -12.696 -19.488 35.156 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -13.811 -16.364 32.409 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -14.084 -16.789 31.596 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -13.771 -15.433 32.192 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -13.352 -15.495 36.384 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -12.502 -15.074 36.512 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -13.347 -16.235 36.992 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -12.958 -17.442 38.208 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -13.684 -17.921 38.606 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -12.377 -17.236 38.940 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -12.690 -17.541 34.599 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -13.211 -17.184 33.880 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -12.723 -16.866 35.277 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -14.341 -20.301 33.150 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -14.244 -19.634 32.470 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -14.481 -21.117 32.668 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -15.093 -22.893 32.267 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -14.483 -23.265 32.904 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -15.930 -23.315 32.463 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -15.461 -21.338 37.233 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -15.181 -22.245 37.358 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -14.702 -20.904 36.844 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -14.847 -24.075 37.282 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -14.665 -24.524 38.107 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -15.447 -24.660 36.818 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -13.717 -25.146 39.736 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -13.105 -25.660 39.209 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -13.334 -24.268 39.759 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -16.770 -25.775 36.267 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -17.473 -25.161 36.057 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -17.215 -26.613 36.398 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -13.196 -4.457 -12.812 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -13.147 -3.847 -12.076 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -12.770 -3.996 -13.535 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -12.804 -2.979 -10.576 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -13.493 -2.321 -10.671 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -12.789 -3.176 -9.639 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -16.077 -4.141 -15.691 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -16.292 -4.907 -15.159 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -15.421 -3.669 -15.178 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -15.730 -5.426 -12.012 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -16.466 -4.815 -12.050 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -15.046 -5.011 -12.538 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -13.091 0.876 -11.752 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -13.743 1.571 -11.663 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -12.626 1.086 -12.562 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -20.795 -6.714 -10.394 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -20.375 -7.129 -9.641 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -21.728 -6.892 -10.277 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -17.469 -2.958 -9.540 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -17.983 -3.084 -8.743 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -17.624 -2.046 -9.785 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -18.383 -4.587 -13.411 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -19.060 -4.456 -12.747 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -18.869 -4.742 -14.221 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -19.796 -4.183 -11.157 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -19.098 -4.109 -10.507 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -20.177 -5.047 -11.002 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -15.072 -3.910 -9.205 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -15.988 -3.647 -9.293 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -14.736 -3.913 -10.102 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -12.818 -0.192 -7.474 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -13.681 -0.571 -7.639 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -12.214 -0.931 -7.548 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -14.849 -1.901 -13.899 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -13.916 -1.689 -13.933 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -15.084 -1.799 -12.976 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -14.820 -1.164 -11.123 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -15.663 -0.896 -10.757 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -14.377 -0.342 -11.334 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -14.847 -5.219 -19.286 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -14.665 -5.668 -18.461 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -15.447 -5.804 -19.750 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -13.017 -5.075 -7.420 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -13.934 -4.804 -7.456 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -12.894 -5.610 -8.204 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -20.586 -5.536 -15.278 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -21.261 -6.165 -15.023 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -20.022 -6.020 -15.881 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -13.717 -6.290 -16.832 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -13.105 -6.804 -17.359 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -13.334 -5.412 -16.809 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -18.123 -6.945 -15.994 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -18.047 -6.850 -16.943 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -18.399 -7.853 -15.865 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -16.770 -6.919 -20.301 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -17.473 -6.305 -20.511 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -17.215 -7.757 -20.170 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -17.907 -7.705 -6.221 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -17.831 -8.131 -5.367 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -17.014 -7.691 -6.563 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -14.485 -7.380 -2.740 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -15.384 -7.241 -2.445 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -14.233 -6.549 -3.142 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -15.093 -4.037 -5.445 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -14.483 -4.409 -4.808 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -15.930 -4.459 -5.249 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -12.537 -7.184 13.087 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -12.187 -7.838 12.481 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -12.390 -6.347 12.647 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -13.017 -5.075 11.436 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -13.934 -4.804 11.400 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -12.894 -5.610 10.652 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -12.981 -5.152 -3.902 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -12.568 -5.873 -4.378 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -12.299 -4.482 -3.844 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -14.016 -6.985 9.255 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -14.829 -6.660 8.867 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -13.783 -7.745 8.722 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -17.907 -7.705 12.635 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -17.831 -8.131 13.489 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -17.014 -7.691 12.293 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -14.485 -7.380 16.116 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -15.384 -7.241 16.411 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -14.233 -6.549 15.714 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -14.847 -5.219 18.426 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -14.665 -5.668 19.251 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -15.447 -5.804 17.962 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -12.981 -5.152 14.954 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -12.568 -5.873 14.478 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -12.299 -4.482 15.012 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -15.444 -7.429 22.546 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -14.840 -6.881 22.045 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -16.313 -7.109 22.306 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -13.717 -6.290 20.880 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -13.105 -6.804 20.353 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -13.334 -5.412 20.903 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -16.770 -6.919 17.411 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -17.473 -6.305 17.201 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -17.215 -7.757 17.542 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -9.024 -36.588 6.370 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -8.982 -37.214 7.094 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -8.321 -35.965 6.552 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 2.314 -33.264 3.079 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 1.873 -33.984 3.529 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 2.301 -32.543 3.709 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -11.490 -38.478 0.298 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -11.938 -37.632 0.280 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -12.051 -39.058 -0.217 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -10.780 -36.316 2.424 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -10.566 -37.086 2.951 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -10.042 -36.227 1.821 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -3.003 -33.770 5.183 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -2.699 -34.456 4.589 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -2.281 -33.652 5.801 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -10.087 -38.878 3.545 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -9.433 -39.428 3.977 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -10.063 -39.152 2.629 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -0.528 -32.857 0.401 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -0.824 -33.179 -0.450 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -0.852 -31.957 0.443 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -5.328 -34.681 7.145 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -6.068 -34.083 7.248 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -4.614 -34.127 6.829 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -10.799 -33.046 -1.286 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -11.071 -32.817 -2.175 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -10.754 -32.208 -0.826 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 2.826 -31.424 5.427 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 1.884 -31.366 5.588 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 3.102 -30.518 5.290 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 1.078 -29.643 2.052 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 1.503 -30.350 1.567 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 1.395 -28.842 1.635 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 2.237 -31.742 0.561 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 1.980 -32.432 -0.051 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 2.308 -32.185 1.406 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 3.923 -33.176 9.038 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 4.063 -33.767 8.299 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 4.091 -32.303 8.682 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -6.553 -35.374 1.645 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -6.883 -35.744 0.826 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -5.965 -36.044 1.991 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -5.186 -31.946 4.326 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -5.281 -32.524 3.569 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -4.457 -32.317 4.822 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -6.186 -36.605 5.278 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -5.621 -36.484 4.515 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -5.867 -35.968 5.917 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 0.123 -31.102 6.012 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -0.118 -30.440 6.660 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -0.075 -31.936 6.437 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -8.386 -36.008 9.224 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -8.316 -35.357 9.922 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -9.277 -35.905 8.889 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -1.601 -30.105 0.882 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -1.127 -29.810 1.660 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -2.164 -29.367 0.649 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -2.129 -27.149 -0.703 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -2.204 -27.270 -1.649 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -2.096 -26.199 -0.584 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 0.642 -28.069 -0.951 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -0.293 -27.969 -0.772 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 0.922 -28.778 -0.373 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -1.876 -38.370 11.400 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -2.439 -39.074 11.720 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -1.050 -38.490 11.867 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -8.761 -38.862 8.050 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -8.799 -38.462 8.918 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -9.252 -39.679 8.140 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -8.642 -34.153 11.330 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -7.909 -33.899 11.891 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -9.422 -33.949 11.845 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 3.708 -35.012 6.953 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 4.350 -34.555 6.410 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 2.878 -34.899 6.491 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -1.922 -33.961 9.404 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -2.268 -34.342 10.210 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -2.122 -33.027 9.475 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -8.317 -34.850 3.936 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -7.572 -34.852 3.335 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -8.239 -35.674 4.418 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -11.309 -36.389 9.251 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -11.086 -36.807 10.083 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -11.911 -37.002 8.829 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -4.292 -36.872 11.464 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -4.588 -37.038 10.569 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -3.361 -37.092 11.454 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 6.023 -33.454 10.558 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 5.171 -33.216 10.191 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 6.613 -33.471 9.805 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -5.942 -31.332 1.341 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -5.415 -30.559 1.140 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -6.822 -31.107 1.039 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -5.831 -28.647 0.462 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -6.781 -28.542 0.514 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -5.480 -27.827 0.807 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -0.456 -33.421 6.933 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -0.882 -33.648 7.759 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 0.125 -34.159 6.750 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -5.149 -29.069 -2.359 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -4.988 -28.269 -2.860 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -5.346 -28.762 -1.474 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -10.102 -30.557 0.267 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -10.934 -30.084 0.294 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -9.556 -30.047 -0.332 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -10.906 -34.134 12.551 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -10.762 -35.036 12.265 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -11.679 -33.848 12.063 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -4.251 -34.164 11.984 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -4.579 -33.893 11.126 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -4.099 -35.105 11.896 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 1.484 -34.248 9.367 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 2.229 -33.660 9.247 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 0.727 -33.666 9.430 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -10.074 -36.934 11.971 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -9.666 -37.791 11.850 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -10.334 -36.919 12.892 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -6.127 -37.925 9.345 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -6.745 -37.250 9.626 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -5.783 -37.604 8.512 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -1.107 -35.454 12.623 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -0.154 -35.370 12.595 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -1.267 -36.165 13.242 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -3.793 -36.761 8.160 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -3.042 -36.917 7.587 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -4.132 -35.909 7.884 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 0.623 -38.946 13.188 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 0.815 -39.877 13.077 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 1.480 -38.521 13.178 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 1.939 -36.157 11.266 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 1.658 -35.448 10.688 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 2.882 -36.230 11.115 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -4.447 -26.884 -3.747 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -3.514 -26.726 -3.603 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -4.711 -26.209 -4.372 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -12.230 -26.855 0.813 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -12.877 -27.317 0.280 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -11.875 -27.527 1.396 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -11.360 -28.774 2.618 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -11.694 -29.655 2.790 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -11.138 -28.429 3.482 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 4.203 -32.608 13.158 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 3.337 -32.713 13.552 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 4.579 -31.849 13.605 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 5.657 -33.513 5.444 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 6.491 -33.891 5.163 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 5.769 -32.570 5.325 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 4.541 -35.807 10.698 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 5.124 -36.541 10.889 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 5.105 -35.035 10.744 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -11.682 -40.428 11.210 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -10.763 -40.550 11.446 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -12.132 -41.178 11.599 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -12.157 -39.117 5.170 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -11.665 -39.338 4.380 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -11.795 -38.276 5.451 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 2.927 -27.875 1.170 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 3.580 -28.222 0.562 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 3.438 -27.386 1.816 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -10.666 -28.868 -1.899 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -11.351 -28.906 -2.567 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -10.663 -27.955 -1.611 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 4.907 -28.095 -0.822 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 4.713 -28.843 -1.387 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 4.868 -27.337 -1.406 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -9.024 -36.588 25.226 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -8.982 -37.214 25.950 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -8.321 -35.965 25.408 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -8.100 -32.138 23.761 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -8.470 -32.940 23.392 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -7.159 -32.307 23.808 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -11.490 -38.478 19.154 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -11.938 -37.632 19.136 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -12.051 -39.058 18.639 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -10.780 -36.316 21.280 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -10.566 -37.086 21.807 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -10.042 -36.227 20.677 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 0.138 -39.376 24.367 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 0.281 -40.323 24.387 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 0.032 -39.169 23.438 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -4.931 -37.328 21.617 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -4.315 -37.854 22.126 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -5.517 -37.968 21.213 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -5.328 -34.681 26.001 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -6.068 -34.083 26.104 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -4.614 -34.127 25.685 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 2.826 -31.424 24.283 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 1.884 -31.366 24.444 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 3.102 -30.518 24.146 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 3.923 -33.176 27.894 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 4.063 -33.767 27.155 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 4.091 -32.303 27.538 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -1.604 -36.214 17.666 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -2.316 -35.679 17.315 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -0.913 -36.158 17.006 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -1.550 -37.756 14.705 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -0.849 -37.734 15.356 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -1.248 -38.384 14.049 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 1.802 -36.004 18.618 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 1.070 -35.776 19.191 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 2.249 -36.718 19.073 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 1.699 -37.830 27.686 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 1.779 -37.067 28.258 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 1.098 -37.551 26.995 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -6.553 -35.374 20.501 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -6.883 -35.744 19.682 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -5.965 -36.044 20.847 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -6.186 -36.605 24.134 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -5.621 -36.484 23.371 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -5.867 -35.968 24.773 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 0.673 -36.842 16.303 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 1.252 -36.692 17.050 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 1.087 -36.371 15.580 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -8.386 -36.008 28.080 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -8.316 -35.357 28.778 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -9.277 -35.905 27.745 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -7.563 -36.304 18.090 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -7.855 -35.536 17.599 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -8.237 -36.964 17.927 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 5.561 -30.726 14.493 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 5.634 -29.787 14.663 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 6.466 -31.031 14.436 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 6.478 -30.495 29.471 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 6.429 -31.450 29.434 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 5.652 -30.227 29.873 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 2.150 -35.809 13.933 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 2.192 -36.032 13.003 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 2.999 -35.411 14.123 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -6.511 -39.182 25.039 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -7.153 -39.223 25.748 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -6.474 -38.256 24.801 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -6.514 -38.961 19.951 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -7.407 -39.302 19.892 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -6.063 -39.338 19.195 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -0.978 -38.545 18.768 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -1.387 -37.730 18.476 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -0.258 -38.685 18.153 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 0.026 -39.099 21.582 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -0.169 -38.494 20.867 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 0.208 -39.933 21.147 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -0.710 -37.461 26.253 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -0.386 -38.092 25.610 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -1.150 -37.996 26.914 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -2.612 -38.746 22.924 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -2.048 -39.293 22.377 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -2.760 -39.268 23.713 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -3.986 -40.358 25.338 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -4.821 -39.904 25.448 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -3.462 -40.082 26.090 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 3.708 -35.012 25.809 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 4.350 -34.555 25.266 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 2.878 -34.899 25.347 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -1.922 -33.961 28.260 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -2.268 -34.342 29.066 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -2.122 -33.027 28.331 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -8.317 -34.850 22.792 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -7.572 -34.852 22.191 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -8.239 -35.674 23.274 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -11.309 -36.389 28.107 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -11.086 -36.807 28.939 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -11.911 -37.002 27.685 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -4.292 -36.872 30.320 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -4.588 -37.038 29.425 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -3.361 -37.092 30.310 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 6.023 -33.454 29.414 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 5.171 -33.216 29.047 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 6.613 -33.471 28.661 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 4.355 -30.468 17.042 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 3.982 -31.294 17.352 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 4.632 -30.651 16.145 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 1.515 -35.660 24.064 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 0.587 -35.892 24.037 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 1.966 -36.437 23.734 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -10.187 -36.470 14.784 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -9.571 -35.843 15.163 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -11.049 -36.154 15.055 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 2.613 -33.819 17.089 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 2.336 -34.547 17.645 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 3.540 -33.700 17.295 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -8.772 -34.557 16.276 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -9.458 -34.205 16.843 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -8.249 -33.794 16.030 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -2.420 -39.529 27.672 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -2.301 -38.955 28.429 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -1.765 -40.217 27.787 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 2.386 -37.871 22.603 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 1.589 -38.286 22.274 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 2.831 -38.562 23.094 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -8.156 -31.943 15.173 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -7.564 -31.244 15.449 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -7.697 -32.376 14.454 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -10.906 -34.134 31.407 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -10.762 -35.036 31.121 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -11.679 -33.848 30.919 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -6.565 -33.790 13.539 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -6.501 -34.584 14.070 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -5.912 -33.909 12.850 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -4.251 -34.164 30.840 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -4.579 -33.893 29.982 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -4.099 -35.105 30.752 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 1.484 -34.248 28.223 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 2.229 -33.660 28.103 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 0.727 -33.666 28.286 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -10.074 -36.934 30.827 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -9.666 -37.791 30.706 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -10.334 -36.919 31.748 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -5.416 -35.818 15.845 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -5.875 -36.302 16.531 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -5.161 -36.486 15.209 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -6.127 -37.925 28.201 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -6.745 -37.250 28.482 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -5.783 -37.604 27.368 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -4.345 -37.575 14.108 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -4.525 -37.729 13.180 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -3.394 -37.467 14.152 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -1.107 -35.454 31.479 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -0.154 -35.370 31.451 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -1.267 -36.165 32.098 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 5.045 -35.220 13.553 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 4.772 -35.645 12.740 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 5.085 -34.289 13.336 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -3.793 -36.761 27.016 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -3.042 -36.917 26.443 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -4.132 -35.909 26.740 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.939 -36.157 30.122 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.658 -35.448 29.544 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 2.882 -36.230 29.971 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 4.203 -32.608 32.014 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 3.337 -32.713 32.408 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 4.579 -31.849 32.461 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 5.504 -34.351 17.528 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 6.354 -33.930 17.656 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 5.509 -35.091 18.136 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 5.657 -33.513 24.300 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 6.491 -33.891 24.019 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 5.769 -32.570 24.181 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 3.685 -37.777 19.915 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 3.535 -38.722 19.895 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 3.331 -37.496 20.759 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -11.280 -35.699 23.925 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -11.096 -35.781 22.990 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -10.431 -35.823 24.349 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -8.100 -32.138 42.617 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -8.470 -32.940 42.248 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -7.159 -32.307 42.664 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -11.490 -38.478 38.010 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -11.938 -37.632 37.992 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -12.051 -39.058 37.495 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -10.780 -36.316 40.136 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -10.566 -37.086 40.663 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -10.042 -36.227 39.533 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -0.575 -28.159 41.003 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 0.045 -28.836 40.730 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -0.783 -28.377 41.911 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -6.553 -35.374 39.357 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -6.883 -35.744 38.538 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -5.965 -36.044 39.703 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -5.186 -31.946 42.038 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -5.281 -32.524 41.281 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -4.457 -32.317 42.534 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -1.601 -30.105 38.594 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -1.127 -29.810 39.372 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -2.164 -29.367 38.361 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -7.563 -36.304 36.946 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -7.855 -35.536 36.455 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -8.237 -36.964 36.783 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 5.561 -30.726 33.349 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 5.634 -29.787 33.519 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 6.466 -31.031 33.292 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -11.719 -31.161 42.645 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -10.773 -31.305 42.626 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -11.832 -30.377 43.182 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 0.642 -28.069 36.761 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -0.293 -27.969 36.940 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 0.922 -28.778 37.339 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.442 -34.145 35.879 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -4.186 -34.652 35.556 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -3.576 -34.096 36.825 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -8.317 -34.850 41.648 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -7.572 -34.852 41.047 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -8.239 -35.674 42.130 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -1.316 -32.686 34.904 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -1.611 -31.860 35.286 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -2.019 -33.306 35.100 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 4.355 -30.468 35.898 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 3.982 -31.294 36.208 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 4.632 -30.651 35.001 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -5.942 -31.332 39.053 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -5.415 -30.559 38.852 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -6.822 -31.107 38.751 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -10.187 -36.470 33.640 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -9.571 -35.843 34.019 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -11.049 -36.154 33.911 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -4.515 -33.669 38.629 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -4.756 -32.744 38.671 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -5.255 -34.128 39.025 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 1.747 -32.492 33.719 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 2.100 -32.872 34.523 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 0.798 -32.585 33.805 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 6.251 -28.012 33.920 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 6.994 -27.426 33.780 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 5.556 -27.444 34.253 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -10.024 -29.831 44.956 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -9.807 -30.763 44.925 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -9.777 -29.557 45.840 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -5.225 -31.810 34.622 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -5.078 -32.330 35.412 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -5.228 -30.903 34.928 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -8.772 -34.557 35.132 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -9.458 -34.205 35.699 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -8.249 -33.794 34.886 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -2.487 -30.112 35.371 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -3.304 -29.615 35.424 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -1.958 -29.637 34.731 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -6.565 -33.790 32.395 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -6.501 -34.584 32.926 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -5.912 -33.909 31.706 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -1.213 -32.743 32.131 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -1.481 -32.563 33.032 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -1.419 -33.669 32.000 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -5.416 -35.818 34.701 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -5.875 -36.302 35.387 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -5.161 -36.486 34.065 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -4.345 -37.575 32.964 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -4.525 -37.729 32.036 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -3.394 -37.467 33.008 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -12.230 -26.855 38.525 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -12.877 -27.317 37.992 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -11.875 -27.527 39.108 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -11.360 -28.774 40.330 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -11.694 -29.655 40.502 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -11.138 -28.429 41.194 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -11.280 -35.699 42.781 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -11.096 -35.781 41.846 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -10.431 -35.823 43.205 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 2.927 -27.875 38.882 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 3.580 -28.222 38.274 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 3.438 -27.386 39.528 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -9.917 -28.092 42.642 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -9.936 -28.517 43.499 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -9.112 -28.410 42.233 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -7.776 -29.382 41.297 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -7.995 -30.298 41.466 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -6.952 -29.242 41.763 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.239 -28.912 42.145 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -5.026 -29.800 41.858 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.174 -28.946 43.100 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 4.907 -28.095 36.890 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 4.713 -28.843 36.325 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 4.868 -27.337 36.306 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -11.490 -19.622 -18.558 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -11.938 -18.776 -18.576 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -12.051 -20.202 -19.073 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -10.780 -17.460 -16.432 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -10.566 -18.230 -15.905 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -10.042 -17.371 -17.035 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -0.575 -9.303 -15.565 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 0.045 -9.980 -15.838 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -0.783 -9.521 -14.657 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -3.003 -14.914 -13.673 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -2.699 -15.600 -14.267 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -2.281 -14.796 -13.055 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -10.087 -20.022 -15.311 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -9.433 -20.572 -14.879 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -10.063 -20.296 -16.227 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -4.931 -18.472 -16.095 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -4.315 -18.998 -15.586 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -5.517 -19.112 -16.499 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -5.328 -15.825 -11.711 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -6.068 -15.227 -11.608 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -4.614 -15.271 -12.027 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -8.303 -21.609 -14.046 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -7.690 -20.976 -13.673 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -7.791 -22.081 -14.703 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -10.799 -14.190 -20.142 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -11.071 -13.961 -21.031 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -10.754 -13.352 -19.682 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -6.553 -16.518 -17.211 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -6.883 -16.888 -18.030 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -5.965 -17.188 -16.865 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -5.186 -13.090 -14.530 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -5.281 -13.668 -15.287 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -4.457 -13.461 -14.034 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -6.186 -17.749 -13.578 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -5.621 -17.628 -14.341 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -5.867 -17.112 -12.939 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 0.123 -12.246 -12.844 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -0.118 -11.584 -12.196 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -0.075 -13.080 -12.419 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -8.475 -9.504 -17.778 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -8.323 -9.852 -16.899 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -9.326 -9.860 -18.033 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -6.511 -20.326 -12.673 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -7.153 -20.367 -11.964 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -6.474 -19.400 -12.911 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -1.876 -19.514 -7.456 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -2.439 -20.218 -7.136 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -1.050 -19.634 -6.989 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -8.761 -20.006 -10.806 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -8.799 -19.606 -9.938 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -9.252 -20.823 -10.716 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 3.760 -7.771 -7.134 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 3.960 -7.347 -7.969 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 4.416 -7.428 -6.527 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -1.922 -15.105 -9.452 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.268 -15.486 -8.646 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -2.122 -14.171 -9.381 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -4.292 -18.016 -7.392 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -4.588 -18.182 -8.287 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -3.361 -18.236 -7.402 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 0.328 -12.643 -9.502 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -0.573 -12.460 -9.770 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.362 -12.384 -8.581 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -5.942 -12.476 -17.515 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -5.415 -11.703 -17.716 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -6.822 -12.251 -17.817 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -0.456 -14.565 -11.923 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -0.882 -14.792 -11.097 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 0.125 -15.303 -12.106 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 2.203 -10.013 -9.454 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 1.601 -10.568 -9.949 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 2.484 -9.346 -10.080 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -9.675 -22.780 -10.047 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -10.568 -22.441 -10.114 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -9.774 -23.635 -9.629 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -10.102 -11.701 -18.589 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -10.934 -11.228 -18.562 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -9.556 -11.191 -19.188 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 0.361 -11.789 -6.910 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 0.010 -12.645 -6.667 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 1.087 -11.646 -6.303 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 1.484 -15.392 -9.489 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 2.229 -14.804 -9.609 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 0.727 -14.810 -9.426 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -6.127 -19.069 -9.511 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -6.745 -18.394 -9.230 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -5.783 -18.748 -10.344 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -1.107 -16.598 -6.233 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -0.154 -16.514 -6.261 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -1.267 -17.309 -5.614 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -5.787 -21.714 -8.428 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -5.637 -22.443 -9.031 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -5.785 -20.937 -8.987 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -3.793 -17.905 -10.696 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -3.042 -18.061 -11.269 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -4.132 -17.053 -10.972 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 0.623 -20.090 -5.668 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 0.815 -21.021 -5.779 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 1.480 -19.665 -5.678 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.309 -20.516 -6.517 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -8.076 -21.048 -6.727 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -6.630 -20.826 -7.116 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -3.305 -21.566 -6.941 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -3.541 -21.786 -6.039 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -4.088 -21.773 -7.450 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -9.128 -22.595 -6.812 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -8.917 -23.302 -7.423 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -9.240 -23.033 -5.968 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -3.994 -24.911 -5.779 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -4.125 -25.387 -6.600 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -4.593 -24.167 -5.835 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -12.230 -7.999 -18.043 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -12.877 -8.461 -18.576 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -11.875 -8.671 -17.460 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 5.752 -9.542 -10.336 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 5.265 -10.277 -10.707 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 6.301 -9.935 -9.658 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -11.682 -21.572 -7.646 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -10.763 -21.694 -7.410 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -12.132 -22.322 -7.257 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -12.157 -20.261 -13.686 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -11.665 -20.482 -14.476 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -11.795 -19.420 -13.405 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -2.154 -8.371 -12.631 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -2.611 -7.842 -13.285 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -1.991 -7.768 -11.906 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 0.173 -9.493 -11.686 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -0.731 -9.328 -11.952 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 0.602 -8.640 -11.752 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 2.778 -7.923 -11.391 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 2.596 -7.007 -11.602 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 2.954 -8.333 -12.238 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -7.776 -10.526 -15.271 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -7.995 -11.442 -15.102 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -6.952 -10.386 -14.805 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -5.239 -10.056 -14.423 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -5.026 -10.944 -14.710 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -5.174 -10.090 -13.468 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -10.666 -10.012 -20.755 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -11.351 -10.050 -21.423 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -10.663 -9.099 -20.467 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -7.473 -25.893 -6.403 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -6.574 -26.167 -6.588 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -7.859 -26.636 -5.939 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 4.125 -10.488 -7.528 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 3.343 -10.674 -8.048 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 4.053 -9.559 -7.311 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -0.575 -9.303 3.291 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 0.045 -9.980 3.018 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -0.783 -9.521 4.199 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 1.078 -10.787 2.052 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 1.503 -11.494 1.567 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 1.395 -9.986 1.635 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.550 -18.900 -4.151 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -0.849 -18.878 -3.500 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -1.248 -19.528 -4.807 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -1.601 -11.249 0.882 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -1.127 -10.954 1.660 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -2.164 -10.511 0.649 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 4.371 -26.236 -2.740 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 3.472 -26.097 -2.445 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 4.623 -25.405 -3.142 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -2.129 -8.293 -0.703 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -2.204 -8.414 -1.649 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.096 -7.343 -0.584 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -8.475 -9.504 1.078 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -8.323 -9.852 1.957 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -9.326 -9.860 0.823 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 0.973 -9.139 -3.700 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 1.348 -9.883 -4.171 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 0.977 -9.409 -2.782 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 0.642 -9.213 -0.951 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -0.293 -9.113 -0.772 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 0.922 -9.922 -0.373 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 2.150 -16.953 -4.923 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 2.192 -17.176 -5.853 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 2.999 -16.555 -4.733 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -2.277 -23.077 -4.253 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -2.531 -23.058 -3.330 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -2.534 -23.949 -4.554 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -5.395 -22.632 -5.152 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -5.826 -23.077 -4.422 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -6.113 -22.260 -5.664 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -10.878 -22.144 -2.676 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -10.404 -21.553 -3.261 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -11.596 -21.613 -2.329 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 0.456 -22.475 -3.634 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.482 -22.363 -3.785 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 0.753 -21.618 -3.328 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 6.059 -20.398 -2.279 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 5.505 -20.794 -2.951 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 6.160 -19.488 -2.556 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 4.355 -11.612 -1.814 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 3.982 -12.438 -1.504 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 4.632 -11.795 -2.711 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -5.831 -9.791 0.462 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -6.781 -9.686 0.514 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -5.480 -8.971 0.807 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 1.747 -13.636 -3.993 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 2.100 -14.016 -3.189 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 0.798 -13.729 -3.907 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 6.251 -9.156 -3.792 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 6.994 -8.570 -3.932 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 5.556 -8.588 -3.459 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 2.613 -14.963 -1.767 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 2.336 -15.691 -1.211 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 3.540 -14.844 -1.561 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -0.156 -23.387 -1.204 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 0.064 -22.915 -2.007 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 0.402 -22.992 -0.533 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -2.487 -11.256 -2.341 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -3.304 -10.759 -2.288 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -1.958 -10.781 -2.981 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -2.072 -24.578 0.569 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -2.419 -23.960 1.214 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -1.414 -24.077 0.088 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -6.415 -23.515 -2.743 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -6.498 -22.626 -2.397 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -5.525 -23.780 -2.512 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 3.473 -9.759 5.369 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 3.317 -9.081 4.712 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 4.405 -9.687 5.572 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 2.480 -10.844 -5.174 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 2.763 -11.638 -4.721 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 3.220 -10.611 -5.735 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -1.213 -13.887 -5.581 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -1.481 -13.707 -4.680 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -1.419 -14.813 -5.712 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 5.045 -16.364 -5.303 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 4.772 -16.789 -6.116 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 5.085 -15.433 -5.520 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -12.230 -7.999 0.813 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -12.877 -8.461 0.280 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -11.875 -8.671 1.396 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -11.360 -9.918 2.618 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -11.694 -10.799 2.790 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -11.138 -9.573 3.482 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 6.189 -9.109 5.598 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 6.167 -8.924 6.537 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 6.879 -8.540 5.257 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 5.752 -9.542 8.520 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 5.265 -10.277 8.149 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 6.301 -9.935 9.198 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 5.504 -15.495 -1.328 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 6.354 -15.074 -1.200 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 5.509 -16.235 -0.720 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 6.166 -17.541 -3.113 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 5.645 -17.184 -3.832 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 6.133 -16.866 -2.435 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 4.515 -20.301 -4.562 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 4.612 -19.634 -5.242 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 4.375 -21.117 -5.044 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 3.763 -22.893 -5.445 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 4.373 -23.265 -4.808 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 2.926 -23.315 -5.249 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 4.009 -24.075 -0.430 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 4.191 -24.524 0.395 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 3.409 -24.660 -0.894 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -11.844 -24.003 -0.775 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -12.769 -23.794 -0.905 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -11.390 -23.519 -1.465 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 2.927 -9.019 1.170 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 3.580 -9.366 0.562 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 3.438 -8.530 1.816 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -9.332 -7.859 8.019 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -10.052 -7.419 7.568 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -9.698 -8.110 8.868 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -6.865 -8.259 7.049 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -7.730 -8.187 7.453 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -6.920 -7.712 6.265 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -2.154 -8.371 6.225 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -2.611 -7.842 5.571 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -1.991 -7.768 6.950 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 0.173 -9.493 7.170 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -0.731 -9.328 6.904 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 0.602 -8.640 7.104 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 2.778 -7.923 7.465 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 2.596 -7.007 7.254 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 2.954 -8.333 6.618 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -9.917 -9.236 4.930 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -9.936 -9.661 5.787 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -9.112 -9.554 4.521 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -7.776 -10.526 3.585 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -7.995 -11.442 3.754 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -6.952 -10.386 4.051 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -5.239 -10.056 4.433 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -5.026 -10.944 4.146 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -5.174 -10.090 5.388 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -10.567 -25.960 -2.797 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -10.128 -25.349 -3.388 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -11.201 -25.422 -2.323 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 2.086 -25.775 -1.445 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 1.383 -25.161 -1.655 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 1.641 -26.613 -1.314 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -10.666 -10.012 -1.899 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -11.351 -10.050 -2.567 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -10.663 -9.099 -1.611 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -8.706 -24.044 -4.354 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -8.215 -24.674 -4.882 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -8.083 -23.748 -3.691 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -3.680 -23.751 -1.897 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -3.502 -24.397 -1.214 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -3.734 -22.917 -1.430 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -1.802 -8.802 -3.502 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -0.936 -8.436 -3.680 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -2.049 -9.242 -4.315 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -6.920 -13.861 26.788 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -6.926 -12.982 26.410 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -7.774 -13.944 27.213 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 3.923 -14.320 27.894 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 4.063 -14.911 27.155 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 4.091 -13.447 27.538 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 5.765 -17.980 25.960 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 5.113 -17.285 26.049 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 6.230 -17.770 25.150 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -5.306 -13.350 28.851 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -5.618 -12.568 29.307 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -5.956 -13.503 28.165 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -11.470 -15.085 26.905 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -11.971 -15.113 26.090 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -11.464 -15.991 27.215 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 6.478 -11.639 29.471 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 6.429 -12.594 29.434 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 5.652 -11.371 29.873 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -8.475 -9.504 19.934 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -8.323 -9.852 20.813 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -9.326 -9.860 19.679 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -9.221 -13.762 27.948 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -9.004 -14.123 28.808 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -10.076 -14.136 27.738 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 3.760 -7.771 30.578 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 3.960 -7.347 29.743 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 4.416 -7.428 31.185 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -8.642 -15.297 30.186 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -7.909 -15.043 30.747 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -9.422 -15.093 30.701 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 6.023 -14.598 29.414 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 5.171 -14.360 29.047 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 6.613 -14.615 28.661 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -10.024 -10.975 26.100 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -9.807 -11.907 26.069 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -9.777 -10.701 26.984 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 0.361 -11.789 30.802 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 0.010 -12.645 31.045 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 1.087 -11.646 31.409 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -10.906 -15.278 31.407 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -10.762 -16.180 31.121 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -11.679 -14.992 30.919 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -4.251 -15.308 30.840 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -4.579 -15.037 29.982 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -4.099 -16.249 30.752 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -4.447 -8.028 15.109 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -3.514 -7.870 15.253 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -4.711 -7.353 14.484 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -12.230 -7.999 19.669 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -12.877 -8.461 19.136 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -11.875 -8.671 20.252 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 6.189 -9.109 24.454 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 6.167 -8.924 25.393 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 6.879 -8.540 24.113 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 5.752 -9.542 27.376 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 5.265 -10.277 27.005 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.301 -9.935 28.054 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 4.203 -13.752 32.014 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 3.337 -13.857 32.408 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 4.579 -12.993 32.461 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 5.898 -17.442 19.352 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 5.172 -17.921 19.750 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 6.479 -17.236 20.084 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 6.319 -26.040 31.943 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 6.669 -26.694 31.337 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 6.466 -25.203 31.503 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -9.688 -12.090 30.569 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -10.509 -11.915 30.109 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -9.940 -12.163 31.490 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -6.734 -11.115 26.828 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -7.159 -10.306 26.545 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -5.829 -11.030 26.526 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -2.423 -9.716 29.787 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -2.238 -10.050 30.665 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -1.576 -9.407 29.465 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -6.865 -8.259 25.905 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -7.730 -8.187 26.309 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -6.920 -7.712 25.121 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -9.917 -9.236 23.786 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -9.936 -9.661 24.643 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -9.112 -9.554 23.377 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -7.776 -10.526 22.441 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -7.995 -11.442 22.610 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -6.952 -10.386 22.907 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -5.239 -10.056 23.289 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -5.026 -10.944 23.002 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -5.174 -10.090 24.244 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -8.848 -9.092 13.982 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -9.116 -8.805 14.855 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -8.077 -9.638 14.134 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 4.125 -10.488 30.184 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 3.343 -10.674 29.664 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 4.053 -9.559 30.401 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -0.325 -16.602 39.070 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -0.236 -15.658 38.938 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -0.964 -16.877 38.412 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -11.490 -19.622 38.010 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -11.938 -18.776 37.992 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -12.051 -20.202 37.495 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.707 -22.419 40.495 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -6.664 -21.559 40.077 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -7.165 -22.971 39.862 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 1.015 -22.288 38.896 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 1.661 -22.617 39.521 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 1.525 -21.770 38.273 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -4.931 -18.472 40.473 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -4.315 -18.998 40.982 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -5.517 -19.112 40.069 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -0.528 -14.001 38.113 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -0.824 -14.323 37.262 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -0.852 -13.101 38.155 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -10.799 -14.190 36.426 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -11.071 -13.961 35.537 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -10.754 -13.352 36.886 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -3.871 -26.195 42.022 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -3.988 -27.144 41.968 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -4.726 -25.863 42.295 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -1.604 -17.358 36.522 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -2.316 -16.823 36.171 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -0.913 -17.302 35.862 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 1.802 -17.148 37.474 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 1.070 -16.920 38.047 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 2.249 -17.862 37.929 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 4.371 -26.236 34.972 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 3.472 -26.097 35.267 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 4.623 -25.405 34.570 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -7.563 -17.448 36.946 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -7.855 -16.680 36.455 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -8.237 -18.108 36.783 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -6.602 -25.292 42.800 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -7.463 -25.379 42.392 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -6.624 -24.436 43.227 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 2.150 -16.953 32.789 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 2.192 -17.176 31.859 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 2.999 -16.555 32.979 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -6.514 -20.105 38.807 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -7.407 -20.446 38.748 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -6.063 -20.482 38.051 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 0.026 -20.243 40.438 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -0.169 -19.638 39.723 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 0.208 -21.077 40.003 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -12.153 -22.890 39.612 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -11.522 -22.919 40.332 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -11.703 -23.315 38.882 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -3.932 -22.678 39.893 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -4.843 -22.621 40.182 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -3.427 -22.738 40.704 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -9.104 -21.049 38.720 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -9.993 -20.949 38.380 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -8.808 -21.891 38.374 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -2.612 -19.890 41.780 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -2.048 -20.437 41.233 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -2.760 -20.412 42.569 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -3.442 -15.289 35.879 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -4.186 -15.796 35.556 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -3.576 -15.240 36.825 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -1.316 -13.830 34.904 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -1.611 -13.004 35.286 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -2.019 -14.450 35.100 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 6.059 -20.398 35.433 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 5.505 -20.794 34.761 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 6.160 -19.488 35.156 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 1.747 -13.636 33.719 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 2.100 -14.016 34.523 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 0.798 -13.729 33.805 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 2.613 -14.963 35.945 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 2.336 -15.691 36.501 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 3.540 -14.844 36.151 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -4.162 -12.524 32.166 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -3.923 -13.272 31.618 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -4.431 -12.912 32.998 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -8.772 -15.701 35.132 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -9.458 -15.349 35.699 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -8.249 -14.938 34.886 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -2.072 -24.578 38.281 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -2.419 -23.960 38.926 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -1.414 -24.077 37.800 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -8.156 -13.087 34.029 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -7.564 -12.388 34.305 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -7.697 -13.520 33.310 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -9.032 -25.641 41.818 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -9.261 -25.582 40.891 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -9.475 -26.433 42.125 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -2.124 -10.661 32.304 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -2.768 -11.292 32.626 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -1.362 -11.192 32.072 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 2.480 -10.844 32.538 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 2.763 -11.638 32.991 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 3.220 -10.611 31.977 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -6.565 -14.934 32.395 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -6.501 -15.728 32.926 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -5.912 -15.053 31.706 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -1.213 -13.887 32.131 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -1.481 -13.707 33.032 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -1.419 -14.813 32.000 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -5.416 -16.962 34.701 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -5.875 -17.446 35.387 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -5.161 -17.630 34.065 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 5.045 -16.364 32.409 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 4.772 -16.789 31.596 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 5.085 -15.433 32.192 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -10.879 -13.392 33.448 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -9.965 -13.313 33.721 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -10.872 -14.079 32.781 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 6.166 -17.541 34.599 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 5.645 -17.184 33.880 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 6.133 -16.866 35.277 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 3.685 -18.921 38.771 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 3.535 -19.866 38.751 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 3.331 -18.640 39.615 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 3.395 -21.338 37.233 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 3.675 -22.245 37.358 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 4.154 -20.904 36.844 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 4.009 -24.075 37.282 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 4.191 -24.524 38.107 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 3.409 -24.660 36.818 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -10.461 -23.260 41.813 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -10.016 -24.052 42.115 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -9.995 -22.544 42.244 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 5.875 -24.008 33.810 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 6.288 -24.729 33.334 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 6.557 -23.338 33.868 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -11.844 -24.003 36.937 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -12.769 -23.794 36.807 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -11.390 -23.519 36.247 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -1.730 -24.392 41.290 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -2.405 -25.021 41.545 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -1.166 -24.876 40.687 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -4.824 -25.831 38.925 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -3.950 -25.443 38.895 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -4.960 -26.046 39.848 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 0.733 -25.801 40.574 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 0.809 -25.706 39.625 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 0.457 -26.709 40.703 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 2.086 -25.775 36.267 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 1.383 -25.161 36.057 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 1.641 -26.613 36.398 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -1.392 1.509 -14.079 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.430 0.863 -13.374 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -1.715 1.043 -14.850 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -9.024 1.124 -12.486 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -8.982 0.498 -11.762 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -8.321 1.747 -12.304 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -10.780 1.396 -16.432 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -10.566 0.626 -15.905 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -10.042 1.485 -17.035 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -3.003 3.942 -13.673 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -2.699 3.256 -14.267 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -2.281 4.060 -13.055 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 5.660 -4.457 -12.812 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 5.709 -3.847 -12.076 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 6.086 -3.996 -13.535 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 0.138 -1.664 -13.345 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 0.281 -2.611 -13.325 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 0.032 -1.457 -14.274 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -6.707 -3.563 -16.073 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -6.664 -2.703 -16.491 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -7.165 -4.115 -16.706 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -10.087 -1.166 -15.311 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -9.433 -1.716 -14.879 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -10.063 -1.440 -16.227 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -4.931 0.384 -16.095 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -4.315 -0.142 -15.586 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -5.517 -0.256 -16.499 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 6.052 -2.979 -10.576 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 5.363 -2.321 -10.671 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 6.067 -3.176 -9.639 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -5.328 3.031 -11.711 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.068 3.629 -11.608 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -4.614 3.585 -12.027 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -6.920 4.995 -10.924 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -6.926 5.874 -11.302 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -7.774 4.912 -10.499 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 3.126 -5.426 -12.012 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 2.390 -4.815 -12.050 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 3.810 -5.011 -12.538 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -3.871 -7.339 -14.546 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -3.988 -8.288 -14.600 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -4.726 -7.007 -14.273 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 3.923 4.536 -9.818 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 4.063 3.945 -10.557 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 4.091 5.409 -10.174 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 5.765 0.876 -11.752 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 5.113 1.571 -11.663 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 6.230 1.086 -12.562 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 1.699 -0.118 -10.026 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 1.779 0.645 -9.454 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 1.098 0.161 -10.717 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -6.553 2.338 -17.211 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -6.883 1.968 -18.030 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -5.965 1.668 -16.865 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -6.186 1.107 -13.578 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -5.621 1.228 -14.341 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -5.867 1.744 -12.939 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -5.306 5.506 -8.861 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -5.618 6.288 -8.405 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -5.956 5.353 -9.547 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -8.386 1.704 -9.632 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -8.316 2.355 -8.934 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -9.277 1.807 -9.967 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 6.478 7.217 -8.241 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 6.429 6.262 -8.278 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 5.652 7.485 -7.839 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -2.543 6.791 -9.365 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -2.456 7.617 -8.890 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -3.407 6.461 -9.116 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -6.514 -1.249 -17.761 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -7.407 -1.590 -17.820 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -6.063 -1.626 -18.517 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -12.153 -4.034 -16.956 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -11.522 -4.063 -16.236 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -11.703 -4.459 -17.686 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -3.932 -3.822 -16.675 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -4.843 -3.765 -16.386 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -3.427 -3.882 -15.864 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -9.104 -2.193 -17.848 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -9.993 -2.093 -18.188 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -8.808 -3.035 -18.194 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 0.473 -4.587 -13.411 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -0.204 -4.456 -12.747 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -0.013 -4.742 -14.221 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -8.642 3.559 -7.526 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -7.909 3.813 -6.965 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -9.422 3.763 -7.011 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -2.612 -1.034 -14.788 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -2.048 -1.581 -15.335 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -2.760 -1.556 -13.999 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -7.610 -4.898 -18.370 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -7.927 -5.800 -18.405 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -6.829 -4.896 -18.922 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 3.708 2.700 -11.903 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 4.350 3.157 -12.446 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 2.878 2.813 -12.365 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -1.922 3.751 -9.452 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -2.268 3.370 -8.646 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -2.122 4.685 -9.381 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -8.317 2.862 -14.920 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -7.572 2.860 -15.521 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -8.239 2.038 -14.438 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -11.309 1.323 -9.605 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -11.086 0.905 -8.773 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -11.911 0.710 -10.027 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 0.328 6.213 -9.502 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -0.573 6.396 -9.770 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 0.362 6.472 -8.581 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 6.023 4.258 -8.298 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 5.171 4.496 -8.665 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 6.613 4.241 -9.051 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 1.515 2.052 -13.648 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 0.587 1.820 -13.675 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 1.966 1.275 -13.978 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.456 4.291 -11.923 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -0.882 4.064 -11.097 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 0.125 3.553 -12.106 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 2.203 8.843 -9.454 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 1.601 8.288 -9.949 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 2.484 9.510 -10.080 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -9.032 -6.785 -14.750 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -9.261 -6.726 -15.677 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -9.475 -7.577 -14.443 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 0.361 7.067 -6.910 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 0.010 6.211 -6.667 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 1.087 7.210 -6.303 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 1.484 3.464 -9.489 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 2.229 4.052 -9.609 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 0.727 4.046 -9.426 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -10.074 0.778 -6.885 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -9.666 -0.079 -7.006 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -10.334 0.793 -5.964 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -3.793 0.951 -10.696 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -3.042 0.795 -11.269 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -4.132 1.803 -10.972 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 4.203 5.104 -5.698 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 3.337 4.999 -5.304 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 4.579 5.863 -5.251 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 4.144 7.077 -11.105 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 3.496 7.402 -10.480 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 3.626 6.637 -11.780 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -11.280 2.013 -13.787 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -11.096 1.931 -14.722 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -10.431 1.889 -13.363 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 4.541 1.905 -8.158 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 5.124 1.171 -7.967 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 5.105 2.677 -8.112 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 6.038 -0.192 -7.474 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 5.175 -0.571 -7.639 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 6.642 -0.931 -7.548 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 4.007 -1.901 -13.899 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 4.940 -1.689 -13.933 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 3.772 -1.799 -12.976 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 4.036 -1.164 -11.123 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 3.193 -0.896 -10.757 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 4.479 -0.342 -11.334 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -11.682 -2.716 -7.646 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -10.763 -2.838 -7.410 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -12.132 -3.466 -7.257 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 6.319 -7.184 -5.769 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 6.669 -7.838 -6.375 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 6.466 -6.347 -6.209 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -10.461 -4.404 -14.755 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -10.016 -5.196 -14.453 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -9.995 -3.688 -14.324 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -12.157 -1.405 -13.686 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -11.665 -1.626 -14.476 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -11.795 -0.564 -13.405 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 5.839 -5.075 -7.420 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 4.922 -4.804 -7.456 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 5.962 -5.610 -8.204 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -11.844 -5.147 -19.631 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -12.769 -4.938 -19.761 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -11.390 -4.663 -20.321 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -2.423 9.140 -7.925 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -2.238 8.806 -7.047 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -1.576 9.449 -8.247 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 4.840 -6.985 -9.601 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 4.027 -6.660 -9.989 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 5.073 -7.745 -10.134 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -1.730 -5.536 -15.278 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -2.405 -6.165 -15.023 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -1.166 -6.020 -15.881 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -9.404 -6.902 -17.456 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -10.181 -7.136 -17.964 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -8.873 -7.699 -17.448 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -4.824 -6.975 -17.643 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.950 -6.587 -17.673 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -4.960 -7.190 -16.720 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 4.125 8.368 -7.528 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 3.343 8.182 -8.048 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 4.053 9.297 -7.311 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -1.392 1.509 4.777 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -1.430 0.863 5.482 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -1.715 1.043 4.006 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 2.314 4.448 3.079 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 1.873 3.728 3.529 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 2.301 5.169 3.709 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 0.138 -1.664 5.511 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 0.281 -2.611 5.531 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 0.032 -1.457 4.582 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 1.015 -3.432 1.184 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 1.661 -3.761 1.809 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 1.525 -2.914 0.561 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -4.931 0.384 2.761 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -4.315 -0.142 3.270 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.517 -0.256 2.357 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -0.528 4.855 0.401 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -0.824 4.533 -0.450 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -0.852 5.755 0.443 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 2.779 -4.141 3.165 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 2.564 -4.907 3.697 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 3.435 -3.669 3.678 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 3.126 -5.426 6.844 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 2.390 -4.815 6.806 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 3.810 -5.011 6.318 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -3.871 -7.339 4.310 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -3.988 -8.288 4.256 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -4.726 -7.007 4.583 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 1.078 8.069 2.052 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 1.503 7.362 1.567 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 1.395 8.870 1.635 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 2.237 5.970 0.561 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 1.980 5.280 -0.051 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 2.308 5.527 1.406 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -1.601 7.607 0.882 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -1.127 7.902 1.660 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -2.164 8.345 0.649 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 4.371 -7.380 -2.740 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 3.472 -7.241 -2.445 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 4.623 -6.549 -3.142 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -7.563 1.408 -0.766 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -7.855 2.176 -1.257 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -8.237 0.748 -0.929 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 5.561 6.986 -4.363 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 5.634 7.925 -4.193 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 6.466 6.681 -4.420 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 0.973 9.717 -3.700 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 1.348 8.973 -4.171 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 0.977 9.447 -2.782 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 0.642 9.643 -0.951 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -0.293 9.743 -0.772 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 0.922 8.934 -0.373 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -6.602 -6.436 5.088 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -7.463 -6.523 4.680 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -6.624 -5.580 5.515 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -1.939 -6.714 8.462 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -1.519 -7.129 9.215 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -2.872 -6.892 8.579 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 1.387 -2.958 9.316 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 0.873 -3.084 10.113 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 1.232 -2.046 9.071 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -6.514 -1.249 1.095 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -7.407 -1.590 1.036 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -6.063 -1.626 0.339 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 0.026 -1.387 2.726 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -0.169 -0.782 2.011 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 0.208 -2.221 2.291 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -10.878 -3.288 -2.676 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -10.404 -2.697 -3.261 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -11.596 -2.757 -2.329 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -3.932 -3.822 2.181 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -4.843 -3.765 2.470 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -3.427 -3.882 2.992 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -5.451 -2.193 -1.336 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.519 -2.064 -1.158 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -5.666 -1.523 -1.985 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -6.777 -0.998 -3.769 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -7.319 -1.378 -4.460 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.943 -0.804 -4.198 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -2.612 -1.034 4.068 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -2.048 -1.581 3.521 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -2.760 -1.556 4.857 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -7.610 -4.898 0.486 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -7.927 -5.800 0.451 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -6.829 -4.896 -0.066 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -3.442 3.567 -1.833 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -4.186 3.060 -2.156 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -3.576 3.616 -0.887 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 6.059 -1.542 -2.279 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 5.505 -1.938 -2.951 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 6.160 -0.632 -2.556 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 4.355 7.244 -1.814 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 3.982 6.418 -1.504 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 4.632 7.061 -2.711 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 1.515 2.052 5.208 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 0.587 1.820 5.181 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 1.966 1.275 4.878 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -10.187 1.242 -4.072 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -9.571 1.869 -3.693 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -11.049 1.558 -3.801 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -4.515 4.043 0.917 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -4.756 4.968 0.959 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -5.255 3.584 1.313 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -4.162 6.332 -5.546 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -3.923 5.584 -6.094 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -4.431 5.944 -4.714 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -5.225 5.902 -3.090 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -5.078 5.382 -2.300 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -5.228 6.809 -2.784 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -8.772 3.155 -2.580 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -9.458 3.507 -2.013 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -8.249 3.918 -2.826 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -0.940 -4.183 7.699 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -0.242 -4.109 8.349 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -1.321 -5.047 7.854 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -0.156 -4.531 -1.204 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 0.064 -4.059 -2.007 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 0.402 -4.136 -0.533 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -2.487 7.600 -2.341 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -3.304 8.097 -2.288 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -1.958 8.075 -2.981 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -2.956 -2.803 -0.369 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -2.144 -2.299 -0.323 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -3.201 -2.948 0.545 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -2.072 -5.722 0.569 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -2.419 -5.104 1.214 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -1.414 -5.221 0.088 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -5.149 8.643 -2.359 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -4.988 9.443 -2.860 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -5.346 8.950 -1.474 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 3.784 -3.910 9.651 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 2.868 -3.647 9.563 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 4.120 -3.913 8.754 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 2.386 -0.159 3.747 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 1.589 -0.574 3.418 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 2.831 -0.850 4.238 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -8.156 5.769 -3.683 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -7.564 6.468 -3.407 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -7.697 5.336 -4.402 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -9.840 -1.567 -4.567 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -9.885 -0.628 -4.388 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -10.728 -1.803 -4.837 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -9.032 -6.785 4.106 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -9.261 -6.726 3.179 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -9.475 -7.577 4.413 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -2.124 8.195 -5.408 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -2.768 7.564 -5.086 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -1.362 7.664 -5.640 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 2.480 8.012 -5.174 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 2.763 7.218 -4.721 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 3.220 8.245 -5.735 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -6.565 3.922 -5.317 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -6.501 3.128 -4.786 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -5.912 3.803 -6.006 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -5.416 1.894 -3.011 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -5.875 1.410 -2.325 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.161 1.226 -3.647 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -4.569 -7.032 8.352 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -4.667 -6.085 8.246 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -5.312 -7.404 7.876 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -0.589 -3.583 10.991 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -1.537 -3.551 11.123 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -0.277 -4.208 11.645 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 1.045 -4.949 12.996 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 0.948 -5.901 12.990 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 0.723 -4.680 13.857 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -4.347 -7.738 11.023 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -3.635 -8.378 11.009 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -4.448 -7.471 10.109 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -3.994 -6.055 13.077 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -4.125 -6.531 12.256 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -4.593 -5.311 13.021 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 5.504 3.361 -1.328 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 6.354 3.782 -1.200 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 5.509 2.621 -0.720 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 5.898 1.414 0.496 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 5.172 0.935 0.894 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 6.479 1.620 1.228 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 6.166 1.315 -3.113 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 5.645 1.672 -3.832 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 6.133 1.990 -2.435 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 3.395 -2.482 -0.479 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 3.675 -3.389 -0.354 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 4.154 -2.048 -0.868 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 4.007 -1.901 4.957 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 4.940 -1.689 4.923 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 3.772 -1.799 5.880 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 6.319 -7.184 13.087 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 6.669 -7.838 12.481 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 6.466 -6.347 12.647 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 4.009 -5.219 -0.430 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 4.191 -5.668 0.395 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 3.409 -5.804 -0.894 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 5.839 -5.075 11.436 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 4.922 -4.804 11.400 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 5.962 -5.610 10.652 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 5.875 -5.152 -3.902 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 6.288 -5.873 -4.378 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 6.557 -4.482 -3.844 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -11.880 -6.409 7.569 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -12.545 -6.655 8.212 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -12.323 -5.787 6.992 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 4.840 -6.985 9.255 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 4.027 -6.660 8.867 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 5.073 -7.745 8.722 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 3.412 -7.429 3.690 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 4.016 -6.881 3.189 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 2.543 -7.109 3.450 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -10.567 -7.104 -2.797 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -10.128 -6.493 -3.388 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -11.201 -6.566 -2.323 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -4.824 -6.975 1.213 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -3.950 -6.587 1.183 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -4.960 -7.190 2.136 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 0.733 -6.945 2.862 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 0.809 -6.850 1.913 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 0.457 -7.853 2.991 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 2.086 -6.919 -1.445 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 1.383 -6.305 -1.655 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 1.641 -7.757 -1.314 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -3.680 -4.895 -1.897 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -3.502 -5.541 -1.214 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -3.734 -4.061 -1.430 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -1.802 10.054 -3.502 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -0.936 10.420 -3.680 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -2.049 9.614 -4.315 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -9.446 -6.388 10.917 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -9.812 -7.153 11.360 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -8.533 -6.359 11.204 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -7.473 -7.037 12.453 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -6.574 -7.311 12.268 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -7.859 -7.780 12.917 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 5.660 -4.457 24.900 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 5.709 -3.847 25.636 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 6.086 -3.996 24.177 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 0.138 -1.664 24.367 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 0.281 -2.611 24.387 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 0.032 -1.457 23.438 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 1.015 -3.432 20.040 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 1.661 -3.761 20.665 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 1.525 -2.914 19.417 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 6.052 -2.979 27.136 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 5.363 -2.321 27.041 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 6.067 -3.176 28.073 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 2.779 -4.141 22.021 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 2.564 -4.907 22.553 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 3.435 -3.669 22.534 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -6.602 -6.436 23.944 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -7.463 -6.523 23.536 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -6.624 -5.580 24.371 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 1.387 -2.958 28.172 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 0.873 -3.084 28.969 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 1.232 -2.046 27.927 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -2.277 -4.221 14.603 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -2.531 -4.202 15.526 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -2.534 -5.093 14.302 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 0.026 -1.387 21.582 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.169 -0.782 20.867 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 0.208 -2.221 21.147 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -3.932 -3.822 21.037 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -4.843 -3.765 21.326 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -3.427 -3.882 21.848 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -7.610 -4.898 19.342 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -7.927 -5.800 19.307 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -6.829 -4.896 18.790 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -3.986 -2.646 25.338 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -4.821 -2.192 25.448 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -3.462 -2.370 26.090 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 0.456 -3.619 15.222 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -0.482 -3.507 15.071 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 0.753 -2.762 15.528 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -0.940 -4.183 26.555 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -0.242 -4.109 27.205 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -1.321 -5.047 26.710 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -0.156 -4.531 17.652 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 0.064 -4.059 16.849 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 0.402 -4.136 18.323 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -2.956 -2.803 18.487 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -2.144 -2.299 18.533 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -3.201 -2.948 19.401 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -2.420 -1.817 27.672 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -2.301 -1.243 28.429 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -1.765 -2.505 27.787 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -2.072 -5.722 19.425 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -2.419 -5.104 20.070 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -1.414 -5.221 18.944 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -6.415 -4.659 16.113 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -6.498 -3.770 16.459 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -5.525 -4.924 16.344 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 3.784 -3.910 28.507 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 2.868 -3.647 28.419 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 4.120 -3.913 27.610 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 -9.032 -6.785 22.962 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 -9.261 -6.726 22.035 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 -9.475 -7.577 23.269 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -5.375 -4.488 26.776 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -4.839 -4.037 26.124 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -6.227 -4.596 26.354 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -4.569 -7.032 27.208 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -4.667 -6.085 27.102 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -5.312 -7.404 26.732 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -0.589 -3.583 29.847 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -1.537 -3.551 29.979 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -0.277 -4.208 30.501 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 1.045 -4.949 31.852 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 0.948 -5.901 31.846 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 0.723 -4.680 32.713 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -4.347 -7.738 29.879 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -3.635 -8.378 29.865 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -4.448 -7.471 28.965 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -3.994 -6.055 31.933 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -4.125 -6.531 31.112 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -4.593 -5.311 31.877 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 3.763 -4.037 13.411 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 4.373 -4.409 14.048 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 2.926 -4.459 13.607 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 4.007 -1.901 23.813 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 4.940 -1.689 23.779 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 3.772 -1.799 24.736 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 4.036 -1.164 26.589 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 3.193 -0.896 26.955 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 4.479 -0.342 26.378 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 4.009 -5.219 18.426 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 4.191 -5.668 19.251 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 3.409 -5.804 17.962 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 5.839 -5.075 30.292 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 4.922 -4.804 30.256 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 5.962 -5.610 29.508 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 5.875 -5.152 14.954 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 6.288 -5.873 14.478 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 6.557 -4.482 15.012 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -11.844 -5.147 18.081 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -12.769 -4.938 17.951 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -11.390 -4.663 17.391 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 4.840 -6.985 28.111 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 4.027 -6.660 27.723 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 5.073 -7.745 27.578 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -1.730 -5.536 22.434 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -2.405 -6.165 22.689 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -1.166 -6.020 21.831 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 3.412 -7.429 22.546 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 4.016 -6.881 22.045 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 2.543 -7.109 22.306 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 5.139 -6.290 20.880 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 5.751 -6.804 20.353 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 5.522 -5.412 20.903 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 -9.404 -6.902 20.256 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 -10.181 -7.136 19.748 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 -8.873 -7.699 20.264 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -10.567 -7.104 16.059 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -10.128 -6.493 15.468 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -11.201 -6.566 16.533 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -4.824 -6.975 20.069 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -3.950 -6.587 20.039 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -4.960 -7.190 20.992 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 -8.706 -5.188 14.502 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -8.215 -5.818 13.974 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 -8.083 -4.892 15.165 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -3.680 -4.895 16.959 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -3.502 -5.541 17.642 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -3.734 -4.061 17.426 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 0.949 -7.705 31.491 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 1.025 -8.131 32.345 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 1.842 -7.691 31.149 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 3.763 -4.037 32.267 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 4.373 -4.409 32.904 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 2.926 -4.459 32.463 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 10.756 -32.138 4.905 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 10.386 -32.940 4.536 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 11.697 -32.307 4.952 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 11.936 -32.717 7.932 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 11.930 -31.838 7.554 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 11.082 -32.800 8.357 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.789 -30.134 10.759 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 11.797 -30.270 9.811 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 10.873 -30.252 11.011 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 7.386 -33.941 8.049 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 6.885 -33.969 7.234 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 7.392 -34.847 8.359 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 7.137 -31.161 4.933 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.083 -31.305 4.914 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 7.024 -30.377 5.470 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 9.635 -32.618 9.092 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 9.852 -32.979 9.952 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 8.780 -32.992 8.882 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 10.214 -34.153 11.330 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 10.947 -33.899 11.891 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 9.434 -33.949 11.845 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 12.640 -29.025 13.217 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 13.408 -29.484 13.558 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 12.619 -29.251 12.287 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 7.950 -34.134 12.551 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.094 -35.036 12.265 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 7.177 -33.848 12.063 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 6.626 -26.855 0.813 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 5.979 -27.317 0.280 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 6.981 -27.527 1.396 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 7.496 -28.774 2.618 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 7.162 -29.655 2.790 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 7.718 -28.429 3.482 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 9.168 -30.946 11.713 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 8.347 -30.771 11.253 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 8.916 -31.019 12.634 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 12.122 -29.971 7.972 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 11.697 -29.162 7.689 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 13.027 -29.886 7.670 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 11.991 -27.115 7.049 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 11.126 -27.043 7.453 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 11.936 -26.568 6.265 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 8.939 -28.092 4.930 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 8.920 -28.517 5.787 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 9.744 -28.410 4.521 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 11.080 -29.382 3.585 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 10.861 -30.298 3.754 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 11.904 -29.242 4.051 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 10.756 -32.138 23.761 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.386 -32.940 23.392 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 11.697 -32.307 23.808 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 11.936 -32.717 26.788 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.930 -31.838 26.410 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 11.082 -32.800 27.213 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 8.057 -33.046 17.570 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 7.785 -32.817 16.681 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.102 -32.208 18.030 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 13.670 -31.946 23.182 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 13.575 -32.524 22.425 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 14.399 -32.317 23.678 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 11.789 -30.134 29.615 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 11.797 -30.270 28.667 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 10.873 -30.252 29.867 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 7.386 -33.941 26.905 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 6.885 -33.969 26.090 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 7.392 -34.847 27.215 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 7.137 -31.161 23.789 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 8.083 -31.305 23.770 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 7.024 -30.377 24.326 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 9.635 -32.618 27.948 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 9.852 -32.979 28.808 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 8.780 -32.992 27.738 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 12.914 -31.332 20.197 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 13.441 -30.559 19.996 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 12.034 -31.107 19.895 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 14.856 -29.520 26.088 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 15.219 -28.665 25.855 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 15.388 -29.812 26.829 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 13.025 -28.647 19.318 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 12.075 -28.542 19.370 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 13.376 -27.827 19.663 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 13.707 -29.069 16.497 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 13.868 -28.269 15.996 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 13.510 -28.762 17.382 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.700 -31.943 15.173 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 11.292 -31.244 15.449 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 11.159 -32.376 14.454 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 12.640 -29.025 32.073 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 13.408 -29.484 32.414 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.619 -29.251 31.143 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 14.409 -26.884 15.109 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 15.342 -26.726 15.253 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 14.145 -26.209 14.484 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 7.977 -32.248 14.592 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 8.891 -32.169 14.865 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 7.984 -32.935 13.925 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 9.168 -30.946 30.569 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 8.347 -30.771 30.109 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.916 -31.019 31.490 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.122 -29.971 26.828 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 11.697 -29.162 26.545 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.027 -29.886 26.526 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 16.433 -28.572 29.787 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 16.618 -28.906 30.665 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 17.280 -28.263 29.465 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 18.778 -27.287 29.031 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 19.455 -27.919 28.791 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 19.100 -26.885 29.839 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 16.702 -27.227 25.081 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 16.245 -26.698 24.427 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 16.865 -26.624 25.806 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 13.617 -28.912 23.289 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 13.830 -29.800 23.002 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.682 -28.946 24.244 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 14.409 -26.884 33.965 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 15.342 -26.726 34.109 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 14.145 -26.209 33.340 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 10.008 -27.948 32.838 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 9.740 -27.661 33.711 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 10.779 -28.494 32.990 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 10.756 -13.282 4.905 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 10.386 -14.084 4.536 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 11.697 -13.451 4.952 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 7.366 -19.622 0.298 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 6.918 -18.776 0.280 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 6.805 -20.202 -0.217 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.076 -17.460 2.424 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.290 -18.230 2.951 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 8.814 -17.371 1.821 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 12.149 -22.419 2.783 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.192 -21.559 2.365 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.691 -22.971 2.150 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 13.925 -18.472 2.761 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 14.541 -18.998 3.270 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 13.339 -19.112 2.357 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.959 -23.501 6.857 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 10.740 -22.971 6.091 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.291 -23.274 7.505 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 13.528 -15.825 7.145 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 12.788 -15.227 7.248 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 14.242 -15.271 6.829 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 10.553 -21.609 4.810 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 11.166 -20.976 5.183 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 11.065 -22.081 4.153 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.936 -13.861 7.932 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.930 -12.982 7.554 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.082 -13.944 8.357 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 8.057 -14.190 -1.286 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 7.785 -13.961 -2.175 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 8.102 -13.352 -0.826 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 12.303 -16.518 1.645 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 11.973 -16.888 0.826 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 12.891 -17.188 1.991 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 12.670 -17.749 5.278 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 13.235 -17.628 4.515 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 12.989 -17.112 5.917 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 10.470 -17.152 9.224 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 10.540 -16.501 9.922 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 9.579 -17.049 8.889 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.789 -11.278 10.759 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 11.797 -11.414 9.811 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 10.873 -11.396 11.011 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.293 -17.448 -0.766 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.001 -16.680 -1.257 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 10.619 -18.108 -0.929 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 7.137 -12.305 4.933 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.083 -12.449 4.914 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 7.024 -11.521 5.470 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 9.635 -13.762 9.092 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 9.852 -14.123 9.952 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 8.780 -14.136 8.882 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 12.254 -25.292 5.088 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 11.393 -25.379 4.680 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.232 -24.436 5.515 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 12.345 -20.326 6.183 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 11.703 -20.367 6.892 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 12.382 -19.400 5.945 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 12.342 -20.105 1.095 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 11.449 -20.446 1.036 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 12.793 -20.482 0.339 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 6.703 -22.890 1.900 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 7.334 -22.919 2.620 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 7.153 -23.315 1.170 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 7.978 -22.144 -2.676 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 8.452 -21.553 -3.261 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 7.260 -21.613 -2.329 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.752 -21.049 1.008 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 8.863 -20.949 0.668 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 10.048 -21.891 0.662 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 10.214 -15.297 11.330 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 10.947 -15.043 11.891 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 9.434 -15.093 11.845 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 14.870 -21.502 6.482 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 14.035 -21.048 6.592 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 15.394 -21.226 7.234 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 10.539 -15.994 3.936 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.284 -15.996 3.335 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 10.617 -16.818 4.418 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 8.669 -17.614 -4.072 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 9.285 -16.987 -3.693 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 7.807 -17.298 -3.801 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 9.181 -22.780 8.809 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.288 -22.441 8.742 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 9.082 -23.635 9.227 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 8.832 -10.975 7.244 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 9.049 -11.907 7.213 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 9.079 -10.701 8.128 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 10.084 -15.701 -2.580 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 9.398 -15.349 -2.013 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 10.607 -14.938 -2.826 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 9.824 -25.641 4.106 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.595 -25.582 3.179 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 9.381 -26.433 4.413 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 8.754 -11.701 0.267 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 7.922 -11.228 0.294 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 9.300 -11.191 -0.332 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 8.043 -9.088 11.597 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 8.583 -9.305 12.356 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 7.562 -9.894 11.407 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.640 -10.169 13.217 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.408 -10.628 13.558 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.619 -10.395 12.287 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 12.729 -19.069 9.345 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 12.111 -18.394 9.626 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 13.073 -18.748 8.512 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 13.069 -21.714 10.428 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 13.219 -22.443 9.825 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 13.071 -20.937 9.869 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 13.481 -23.344 7.920 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 14.017 -22.893 7.268 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 12.629 -23.452 7.498 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 15.063 -17.905 8.160 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 15.814 -18.061 7.587 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 14.724 -17.053 7.884 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 11.547 -20.516 12.339 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.780 -21.048 12.129 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 12.226 -20.826 11.740 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.728 -22.595 12.044 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.939 -23.302 11.433 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 9.616 -23.033 12.888 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.395 -23.260 4.101 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 8.840 -24.052 4.403 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 8.861 -22.544 4.532 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 7.012 -24.003 -0.775 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 6.087 -23.794 -0.905 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 7.466 -23.519 -1.465 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 9.168 -12.090 11.713 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 8.347 -11.915 11.253 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 8.916 -12.163 12.634 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.452 -25.758 1.400 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.675 -25.992 0.892 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.983 -26.555 1.408 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 9.410 -25.244 10.917 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.044 -26.009 11.360 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 10.323 -25.215 11.204 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 11.383 -25.893 12.453 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 12.282 -26.167 12.268 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.997 -26.636 12.917 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 9.832 -17.732 25.226 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 9.874 -18.358 25.950 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 10.535 -17.109 25.408 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 10.756 -13.282 23.761 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 10.386 -14.084 23.392 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 11.697 -13.451 23.808 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 7.366 -19.622 19.154 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 6.918 -18.776 19.136 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 6.805 -20.202 18.639 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 8.076 -17.460 21.280 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 8.290 -18.230 21.807 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 8.814 -17.371 20.677 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 18.994 -20.520 24.367 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 19.137 -21.467 24.387 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 18.888 -20.313 23.438 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 12.149 -22.419 21.639 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 12.192 -21.559 21.221 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 11.691 -22.971 21.006 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 8.769 -20.022 22.401 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 9.423 -20.572 22.833 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 8.793 -20.296 21.485 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 13.925 -18.472 21.617 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 14.541 -18.998 22.126 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 13.339 -19.112 21.213 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.528 -15.825 26.001 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 12.788 -15.227 26.104 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 14.242 -15.271 25.685 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 14.985 -26.195 23.166 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 14.868 -27.144 23.112 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 14.130 -25.863 23.439 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 12.303 -16.518 20.501 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.973 -16.888 19.682 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 12.891 -17.188 20.847 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 12.670 -17.749 24.134 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 13.235 -17.628 23.371 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 12.989 -17.112 24.773 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.470 -17.152 28.080 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 10.540 -16.501 28.778 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 9.579 -17.049 27.745 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 11.293 -17.448 18.090 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 11.001 -16.680 17.599 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 10.619 -18.108 17.927 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 7.386 -15.085 26.905 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.885 -15.113 26.090 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.392 -15.991 27.215 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 10.381 -9.504 19.934 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 10.533 -9.852 20.813 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 9.530 -9.860 19.679 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 9.635 -13.762 27.948 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 9.852 -14.123 28.808 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.780 -14.136 27.738 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 16.917 -25.570 27.318 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 17.337 -25.985 28.071 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 15.984 -25.748 27.435 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 20.243 -21.814 28.172 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 19.729 -21.940 28.969 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 20.088 -20.902 27.927 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 12.342 -20.105 19.951 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 11.449 -20.446 19.892 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 12.793 -20.482 19.195 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 16.980 -19.514 30.256 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 16.417 -20.218 30.576 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 17.806 -19.634 30.723 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 13.461 -22.632 13.704 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 13.030 -23.077 14.434 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 12.743 -22.260 13.192 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 18.146 -18.605 26.253 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 18.470 -19.236 25.610 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 17.706 -19.140 26.914 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 14.924 -22.678 21.037 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 14.013 -22.621 21.326 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 15.429 -22.738 21.848 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 9.752 -21.049 19.864 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 8.863 -20.949 19.524 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 10.048 -21.891 19.518 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 13.405 -21.049 17.520 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 14.337 -20.920 17.698 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 13.190 -20.379 16.871 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 19.329 -23.443 24.301 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 18.652 -23.312 24.965 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 18.843 -23.598 23.491 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 12.079 -19.854 15.087 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 11.537 -20.234 14.396 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 12.913 -19.660 14.658 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 10.214 -15.297 30.186 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 10.947 -15.043 30.747 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 9.434 -15.093 30.701 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 16.244 -19.890 22.924 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 16.808 -20.437 22.377 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 16.096 -20.412 23.713 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 11.246 -23.754 19.342 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 10.929 -24.656 19.307 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 12.027 -23.752 18.790 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 10.539 -15.994 22.792 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 11.284 -15.996 22.191 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 10.617 -16.818 23.274 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 7.547 -17.533 28.107 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 7.770 -17.951 28.939 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 6.945 -18.146 27.685 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 14.564 -18.016 30.320 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 14.268 -18.182 29.425 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 15.495 -18.236 30.310 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 12.914 -12.476 20.197 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 13.441 -11.703 19.996 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 12.034 -12.251 19.895 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 14.341 -14.813 19.773 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 14.100 -13.888 19.815 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 13.601 -15.272 20.169 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 13.025 -9.791 19.318 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.075 -9.686 19.370 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 13.376 -8.971 19.663 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 8.832 -10.975 26.100 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 9.049 -11.907 26.069 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 9.079 -10.701 26.984 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 14.694 -12.524 13.310 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 14.933 -13.272 12.762 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 14.425 -12.912 14.142 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 13.631 -12.954 15.766 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 13.778 -13.474 16.556 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 13.628 -12.047 16.072 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 10.084 -15.701 16.276 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.398 -15.349 16.843 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 10.607 -14.938 16.030 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 17.916 -23.039 26.555 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 18.614 -22.965 27.205 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 17.535 -23.903 26.710 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 16.436 -20.673 27.672 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 16.555 -20.099 28.429 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 17.091 -21.361 27.787 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 13.707 -10.213 16.497 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 13.868 -9.413 15.996 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 13.510 -9.906 17.382 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 12.441 -23.515 16.113 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 12.358 -22.626 16.459 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 13.331 -23.780 16.344 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 7.950 -15.278 31.407 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 8.094 -16.180 31.121 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 7.177 -14.992 30.919 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 12.291 -14.934 13.539 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 12.355 -15.728 14.070 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 12.944 -15.053 12.850 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 8.782 -18.078 30.827 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 9.190 -18.935 30.706 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 8.522 -18.063 31.748 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 13.440 -16.962 15.845 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 12.981 -17.446 16.531 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 13.695 -17.630 15.209 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 14.511 -18.719 14.108 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 14.331 -18.873 13.180 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 15.462 -18.611 14.152 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 15.063 -17.905 27.016 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 15.814 -18.061 26.443 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 14.724 -17.053 26.740 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 11.547 -20.516 31.195 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 10.780 -21.048 30.985 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 12.226 -20.826 30.596 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 15.551 -21.566 30.771 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 15.315 -21.786 31.673 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 14.768 -21.773 30.262 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 18.267 -22.439 29.847 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 17.319 -22.407 29.979 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 18.579 -23.064 30.501 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 14.509 -26.594 29.879 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 15.221 -27.234 29.865 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 14.408 -26.327 28.965 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 14.862 -24.911 31.933 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 14.731 -25.387 31.112 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 14.263 -24.167 31.877 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 14.409 -8.028 15.109 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 15.342 -7.870 15.253 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 14.145 -7.353 14.484 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 6.626 -7.999 19.669 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 5.979 -8.461 19.136 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 6.981 -8.671 20.252 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 7.496 -9.918 21.474 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 7.162 -10.799 21.646 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 7.718 -9.573 22.338 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 7.576 -16.843 23.925 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 7.760 -16.925 22.990 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 8.425 -16.967 24.349 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.939 -9.236 23.786 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 8.920 -9.661 24.643 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 9.744 -9.554 23.377 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 11.080 -10.526 22.441 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 10.861 -11.442 22.610 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 11.904 -10.386 22.907 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 17.126 -24.392 22.434 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 16.451 -25.021 22.689 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 17.690 -24.876 21.831 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 14.032 -25.831 20.069 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 14.906 -25.443 20.039 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 13.896 -26.046 20.992 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 10.008 -9.092 13.982 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 9.740 -8.805 14.855 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 10.779 -9.638 14.134 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 16.579 -23.077 33.459 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 16.325 -23.058 34.382 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 16.322 -23.949 33.158 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 13.461 -22.632 32.560 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 13.030 -23.077 33.290 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 12.743 -22.260 32.048 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 7.978 -22.144 35.036 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 8.452 -21.553 34.451 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 7.260 -21.613 35.383 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 12.079 -19.854 33.943 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 11.537 -20.234 33.252 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 12.913 -19.660 33.514 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 8.669 -17.614 33.640 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 9.285 -16.987 34.019 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 7.807 -17.298 33.911 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 12.441 -23.515 34.969 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 12.358 -22.626 35.315 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 13.331 -23.780 35.200 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 9.016 -20.423 33.145 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 8.971 -19.484 33.324 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 8.128 -20.659 32.875 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 14.511 -18.719 32.964 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 14.331 -18.873 32.036 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 15.462 -18.611 33.008 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 8.289 -25.960 34.915 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 8.728 -25.349 34.324 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 7.655 -25.422 35.389 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 10.150 -24.044 33.358 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 10.641 -24.674 32.830 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 10.773 -23.748 34.021 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 7.547 1.323 -9.605 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 7.770 0.905 -8.773 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 6.945 0.710 -10.027 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 7.950 3.578 -6.305 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 8.094 2.676 -6.591 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 7.177 3.864 -6.793 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 8.782 0.778 -6.885 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 9.190 -0.079 -7.006 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 8.522 0.793 -5.964 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 7.174 -2.716 -7.646 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 8.093 -2.838 -7.410 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 6.724 -3.466 -7.257 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 6.976 -6.409 -11.287 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 6.311 -6.655 -10.644 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 6.533 -5.787 -11.864 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 7.366 -0.766 0.298 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 6.918 0.080 0.280 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 6.805 -1.346 -0.217 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 8.076 1.396 2.424 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 8.290 0.626 2.951 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 8.814 1.485 1.821 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 8.057 4.666 -1.286 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 7.785 4.895 -2.175 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 8.102 5.504 -0.826 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 6.703 -4.034 1.900 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 7.334 -4.063 2.620 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 7.153 -4.459 1.170 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 7.978 -3.288 -2.676 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 8.452 -2.697 -3.261 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 7.260 -2.757 -2.329 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 8.669 1.242 -4.072 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 9.285 1.869 -3.693 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 7.807 1.558 -3.801 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 9.016 -1.567 -4.567 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 8.971 -0.628 -4.388 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 8.128 -1.803 -4.837 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 7.977 5.464 -4.264 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 8.891 5.543 -3.991 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 7.984 4.777 -4.931 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 7.012 -5.147 -0.775 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 6.087 -4.938 -0.905 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 7.466 -4.663 -1.465 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 6.976 -6.409 7.569 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 6.311 -6.655 8.212 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 6.533 -5.787 6.992 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 9.410 -6.388 10.917 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 9.044 -7.153 11.360 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 10.323 -6.359 11.204 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 11.383 -7.037 12.453 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 12.282 -7.311 12.268 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 10.997 -7.780 12.917 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 7.978 -3.288 16.180 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 8.452 -2.697 15.595 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 7.260 -2.757 16.527 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 7.012 -5.147 18.081 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 6.087 -4.938 17.951 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 7.466 -4.663 17.391 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 6.976 -6.409 26.425 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 6.311 -6.655 27.068 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 6.533 -5.787 25.848 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 9.452 -6.902 20.256 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 8.675 -7.136 19.748 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 9.983 -7.699 20.264 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 8.289 -7.104 16.059 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 8.728 -6.493 15.468 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 7.655 -6.566 16.533 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 10.150 -5.188 14.502 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 10.641 -5.818 13.974 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 10.773 -4.892 15.165 0.00 0.00 WAT1 END