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 14:30:08 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.488 -10.944 -14.348 1.00 2.21 ATOM 2 CB MET 1 4.176 -11.267 -15.626 1.00 31.24 ATOM 3 HB1 MET 1 3.607 -11.442 -16.532 1.00 37.96 ATOM 4 HB2 MET 1 5.046 -11.910 -15.636 1.00 63.43 ATOM 5 CG MET 1 4.663 -9.827 -15.617 1.00 61.43 ATOM 6 HG1 MET 1 5.563 -9.774 -16.211 1.00 37.96 ATOM 7 HG2 MET 1 4.891 -9.513 -14.612 1.00 70.44 ATOM 8 SD MET 1 3.460 -8.683 -16.321 1.00 23.04 ATOM 9 CE MET 1 4.399 -7.158 -16.313 1.00 2.23 ATOM 10 HE1 MET 1 5.286 -7.278 -16.917 1.00 5.13 ATOM 11 HE2 MET 1 4.684 -6.916 -15.300 1.00 72.52 ATOM 12 HE3 MET 1 3.793 -6.360 -16.717 1.00 14.02 ATOM 13 C MET 1 2.783 -13.050 -14.558 1.00 22.31 ATOM 14 O MET 1 3.459 -14.020 -14.216 1.00 52.04 ATOM 15 N MET 1 4.102 -11.497 -13.185 1.00 2.25 ATOM 16 HT1 MET 1 4.333 -10.502 -13.003 1.00 37.96 ATOM 17 HT2 MET 1 4.990 -12.041 -13.249 1.00 37.96 ATOM 18 HT3 MET 1 3.558 -11.854 -12.369 1.00 37.96 ATOM 19 CA MET 1 3.322 -11.631 -14.409 1.00 41.03 ATOM 20 N GLY 2 1.561 -13.164 -15.070 1.00 22.23 ATOM 21 HN GLY 2 1.063 -12.356 -15.336 1.00 37.96 ATOM 22 CA GLY 2 0.953 -14.469 -15.254 1.00 12.24 ATOM 23 HA1 GLY 2 1.513 -15.229 -14.723 1.00 37.96 ATOM 24 HA2 GLY 2 0.966 -14.708 -16.307 1.00 2.44 ATOM 25 C GLY 2 -0.483 -14.513 -14.769 1.00 2.40 ATOM 26 O GLY 2 -1.389 -14.872 -15.521 1.00 71.32 ATOM 27 N HIS 3 -0.692 -14.147 -13.508 1.00 65.11 ATOM 28 HN HIS 3 0.072 -13.854 -12.956 1.00 37.96 ATOM 29 CA HIS 3 -2.028 -14.147 -12.923 1.00 62.23 ATOM 30 HA HIS 3 -2.602 -14.954 -13.368 1.00 32.24 ATOM 31 CB HIS 3 -1.946 -14.365 -11.412 1.00 50.31 ATOM 32 HB1 HIS 3 -2.798 -13.904 -10.926 1.00 37.96 ATOM 33 HB2 HIS 3 -1.041 -13.914 -11.031 1.00 1.14 ATOM 34 CG HIS 3 -1.937 -15.809 -11.014 1.00 54.43 ATOM 35 ND1 HIS 3 -2.297 -16.245 -9.757 1.00 1.04 ATOM 36 HD1 HIS 3 -2.586 -15.675 -9.014 1.00 10.01 ATOM 37 CD2 HIS 3 -1.612 -16.919 -11.717 1.00 44.42 ATOM 38 HD2 HIS 3 -1.284 -16.952 -12.746 1.00 42.12 ATOM 39 CE1 HIS 3 -2.191 -17.561 -9.703 1.00 1.45 ATOM 40 HE1 HIS 3 -2.408 -18.178 -8.843 1.00 11.40 ATOM 41 NE2 HIS 3 -1.777 -17.994 -10.880 1.00 32.14 ATOM 42 HE2 HIS 3 -1.527 -18.919 -11.085 1.00 37.96 ATOM 43 C HIS 3 -2.752 -12.838 -13.222 1.00 42.03 ATOM 44 O HIS 3 -2.142 -11.868 -13.673 1.00 65.13 ATOM 45 N HIS 4 -4.057 -12.818 -12.969 1.00 4.51 ATOM 46 HN HIS 4 -4.482 -13.628 -12.601 1.00 37.96 ATOM 47 CA HIS 4 -4.864 -11.627 -13.211 1.00 61.13 ATOM 48 HA HIS 4 -4.518 -11.158 -14.126 1.00 45.44 ATOM 49 CB HIS 4 -6.334 -12.009 -13.388 1.00 22.25 ATOM 50 HB1 HIS 4 -6.429 -12.632 -14.266 1.00 37.96 ATOM 51 HB2 HIS 4 -6.927 -11.115 -13.526 1.00 4.20 ATOM 52 CG HIS 4 -6.900 -12.765 -12.225 1.00 63.41 ATOM 53 ND1 HIS 4 -7.175 -14.116 -12.268 1.00 1.11 ATOM 54 HD1 HIS 4 -7.035 -14.705 -13.039 1.00 25.12 ATOM 55 CD2 HIS 4 -7.241 -12.353 -10.982 1.00 5.31 ATOM 56 HD2 HIS 4 -7.163 -11.349 -10.598 1.00 41.13 ATOM 57 CE1 HIS 4 -7.662 -14.501 -11.102 1.00 13.20 ATOM 58 HE1 HIS 4 -7.966 -15.505 -10.845 1.00 42.24 ATOM 59 NE2 HIS 4 -7.712 -13.450 -10.304 1.00 2.24 ATOM 60 HE2 HIS 4 -7.946 -13.474 -9.353 1.00 37.96 ATOM 61 C HIS 4 -4.719 -10.630 -12.066 1.00 11.04 ATOM 62 O HIS 4 -4.330 -10.996 -10.956 1.00 14.12 ATOM 63 N HIS 5 -5.033 -9.368 -12.342 1.00 74.32 ATOM 64 HN HIS 5 -5.353 -9.135 -13.247 1.00 37.96 ATOM 65 CA HIS 5 -4.938 -8.318 -11.334 1.00 60.24 ATOM 66 HA HIS 5 -4.124 -8.556 -10.658 1.00 70.15 ATOM 67 CB HIS 5 -4.634 -6.974 -11.996 1.00 3.42 ATOM 68 HB1 HIS 5 -5.400 -6.758 -12.727 1.00 37.96 ATOM 69 HB2 HIS 5 -3.677 -7.034 -12.492 1.00 53.23 ATOM 70 CG HIS 5 -4.580 -5.830 -11.030 1.00 55.35 ATOM 71 ND1 HIS 5 -4.396 -5.997 -9.674 1.00 61.43 ATOM 72 HD1 HIS 5 -4.266 -6.849 -9.209 1.00 12.34 ATOM 73 CD2 HIS 5 -4.687 -4.496 -11.232 1.00 53.51 ATOM 74 HD2 HIS 5 -4.838 -4.002 -12.181 1.00 1.22 ATOM 75 CE1 HIS 5 -4.393 -4.816 -9.083 1.00 51.12 ATOM 76 HE1 HIS 5 -4.267 -4.639 -8.025 1.00 22.35 ATOM 77 NE2 HIS 5 -4.568 -3.888 -10.007 1.00 3.35 ATOM 78 HE2 HIS 5 -4.514 -2.922 -9.854 1.00 37.96 ATOM 79 C HIS 5 -6.229 -8.221 -10.527 1.00 51.23 ATOM 80 O HIS 5 -7.053 -7.336 -10.759 1.00 51.44 ATOM 81 N HIS 6 -6.399 -9.137 -9.579 1.00 51.21 ATOM 82 HN HIS 6 -5.707 -9.829 -9.459 1.00 37.96 ATOM 83 CA HIS 6 -7.590 -9.154 -8.738 1.00 33.04 ATOM 84 HA HIS 6 -8.455 -9.238 -9.383 1.00 35.45 ATOM 85 CB HIS 6 -7.560 -10.360 -7.799 1.00 22.34 ATOM 86 HB1 HIS 6 -7.662 -11.261 -8.387 1.00 37.96 ATOM 87 HB2 HIS 6 -8.386 -10.301 -7.102 1.00 50.01 ATOM 88 CG HIS 6 -6.293 -10.471 -7.007 1.00 33.12 ATOM 89 ND1 HIS 6 -5.464 -11.572 -7.063 1.00 54.40 ATOM 90 HD1 HIS 6 -5.611 -12.373 -7.608 1.00 32.00 ATOM 91 CD2 HIS 6 -5.714 -9.610 -6.138 1.00 14.14 ATOM 92 HD2 HIS 6 -6.096 -8.646 -5.837 1.00 31.32 ATOM 93 CE1 HIS 6 -4.431 -11.383 -6.261 1.00 73.35 ATOM 94 HE1 HIS 6 -3.619 -12.077 -6.102 1.00 10.42 ATOM 95 NE2 HIS 6 -4.559 -10.200 -5.688 1.00 62.23 ATOM 96 HE2 HIS 6 -3.885 -9.772 -5.120 1.00 37.96 ATOM 97 C HIS 6 -7.702 -7.866 -7.927 1.00 64.20 ATOM 98 O HIS 6 -6.708 -7.175 -7.701 1.00 2.10 ATOM 99 N HIS 7 -8.917 -7.549 -7.493 1.00 33.13 ATOM 100 HN HIS 7 -9.675 -8.149 -7.692 1.00 37.96 ATOM 101 CA HIS 7 -9.158 -6.344 -6.707 1.00 53.23 ATOM 102 HA HIS 7 -8.415 -5.599 -6.970 1.00 2.05 ATOM 103 CB HIS 7 -10.542 -5.774 -7.021 1.00 1.42 ATOM 104 HB1 HIS 7 -11.295 -6.511 -6.776 1.00 37.96 ATOM 105 HB2 HIS 7 -10.598 -5.549 -8.076 1.00 64.34 ATOM 106 CG HIS 7 -10.858 -4.520 -6.265 1.00 13.10 ATOM 107 ND1 HIS 7 -10.913 -3.277 -6.859 1.00 3.42 ATOM 108 HD1 HIS 7 -10.755 -3.088 -7.808 1.00 2.22 ATOM 109 CD2 HIS 7 -11.140 -4.322 -4.956 1.00 24.52 ATOM 110 HD2 HIS 7 -11.187 -5.082 -4.189 1.00 4.24 ATOM 111 CE1 HIS 7 -11.212 -2.368 -5.947 1.00 71.53 ATOM 112 HE1 HIS 7 -11.322 -1.308 -6.123 1.00 2.23 ATOM 113 NE2 HIS 7 -11.355 -2.977 -4.784 1.00 35.30 ATOM 114 HE2 HIS 7 -11.668 -2.552 -3.958 1.00 37.96 ATOM 115 C HIS 7 -9.042 -6.636 -5.214 1.00 44.14 ATOM 116 O HIS 7 -8.395 -5.893 -4.475 1.00 21.42 ATOM 117 N HIS 8 -9.672 -7.721 -4.778 1.00 33.45 ATOM 118 HN HIS 8 -10.174 -8.285 -5.412 1.00 37.96 ATOM 119 CA HIS 8 -9.639 -8.111 -3.372 1.00 73.34 ATOM 120 HA HIS 8 -9.248 -7.285 -2.786 1.00 74.42 ATOM 121 CB HIS 8 -11.052 -8.412 -2.871 1.00 71.45 ATOM 122 HB1 HIS 8 -11.516 -9.126 -3.537 1.00 37.96 ATOM 123 HB2 HIS 8 -11.628 -7.499 -2.873 1.00 2.13 ATOM 124 CG HIS 8 -11.088 -8.975 -1.484 1.00 74.51 ATOM 125 ND1 HIS 8 -10.324 -8.478 -0.450 1.00 23.41 ATOM 126 HD1 HIS 8 -9.696 -7.728 -0.512 1.00 10.33 ATOM 127 CD2 HIS 8 -11.805 -9.998 -0.962 1.00 61.42 ATOM 128 HD2 HIS 8 -12.515 -10.618 -1.491 1.00 74.23 ATOM 129 CE1 HIS 8 -10.567 -9.172 0.648 1.00 61.34 ATOM 130 HE1 HIS 8 -10.112 -9.007 1.613 1.00 41.20 ATOM 131 NE2 HIS 8 -11.463 -10.101 0.364 1.00 43.53 ATOM 132 HE2 HIS 8 -11.748 -10.815 0.971 1.00 37.96 ATOM 133 C HIS 8 -8.744 -9.329 -3.167 1.00 63.45 ATOM 134 O HIS 8 -9.013 -10.406 -3.699 1.00 61.35 ATOM 135 N SER 9 -7.678 -9.151 -2.394 1.00 3.22 ATOM 136 HN SER 9 -7.517 -8.271 -1.979 1.00 37.96 ATOM 137 CA SER 9 -6.740 -10.234 -2.123 1.00 20.15 ATOM 138 HA SER 9 -6.892 -11.029 -2.844 1.00 54.33 ATOM 139 CB SER 9 -5.300 -9.736 -2.259 1.00 62.43 ATOM 140 HB1 SER 9 -4.669 -10.556 -2.568 1.00 37.96 ATOM 141 HB2 SER 9 -4.945 -9.347 -1.312 1.00 61.12 ATOM 142 OG SER 9 -5.206 -8.704 -3.226 1.00 35.23 ATOM 143 HG SER 9 -5.456 -7.865 -2.830 1.00 51.22 ATOM 144 C SER 9 -6.961 -10.807 -0.726 1.00 75.42 ATOM 145 O SER 9 -7.649 -10.209 0.101 1.00 13.25 ATOM 146 N HIS 10 -6.373 -11.972 -0.471 1.00 74.04 ATOM 147 HN HIS 10 -5.803 -12.378 -1.158 1.00 37.96 ATOM 148 CA HIS 10 -6.505 -12.628 0.825 1.00 52.41 ATOM 149 HA HIS 10 -7.191 -12.052 1.432 1.00 63.14 ATOM 150 CB HIS 10 -7.081 -14.033 0.653 1.00 73.41 ATOM 151 HB1 HIS 10 -8.143 -13.951 0.470 1.00 37.96 ATOM 152 HB2 HIS 10 -6.925 -14.616 1.548 1.00 42.31 ATOM 153 CG HIS 10 -6.478 -14.792 -0.489 1.00 31.32 ATOM 154 ND1 HIS 10 -5.135 -14.747 -0.797 1.00 3.24 ATOM 155 HD1 HIS 10 -4.450 -14.242 -0.324 1.00 12.24 ATOM 156 CD2 HIS 10 -7.043 -15.620 -1.398 1.00 71.52 ATOM 157 HD2 HIS 10 -8.088 -15.889 -1.457 1.00 33.03 ATOM 158 CE1 HIS 10 -4.900 -15.513 -1.847 1.00 2.20 ATOM 159 HE1 HIS 10 -3.938 -15.670 -2.312 1.00 15.04 ATOM 160 NE2 HIS 10 -6.041 -16.055 -2.231 1.00 54.21 ATOM 161 HE2 HIS 10 -6.135 -16.740 -2.925 1.00 37.96 ATOM 162 C HIS 10 -5.157 -12.701 1.536 1.00 15.23 ATOM 163 O HIS 10 -4.096 -12.642 0.915 1.00 52.20 ATOM 164 N PRO 11 -5.198 -12.832 2.871 1.00 53.44 ATOM 165 CA PRO 11 -3.989 -12.915 3.695 1.00 31.31 ATOM 166 HA PRO 11 -3.329 -12.077 3.507 1.00 11.24 ATOM 167 CB PRO 11 -4.528 -12.824 5.125 1.00 62.20 ATOM 168 HB1 PRO 11 -4.503 -11.796 5.453 1.00 37.96 ATOM 169 HB2 PRO 11 -3.948 -13.434 5.802 1.00 53.11 ATOM 170 CG PRO 11 -5.929 -13.321 5.034 1.00 32.32 ATOM 171 HG1 PRO 11 -6.531 -12.867 5.808 1.00 37.96 ATOM 172 HG2 PRO 11 -5.944 -14.397 5.128 1.00 34.43 ATOM 173 CD PRO 11 -6.428 -12.909 3.677 1.00 40.50 ATOM 174 HD1 PRO 11 -6.914 -11.946 3.732 1.00 37.96 ATOM 175 HD2 PRO 11 -7.107 -13.650 3.302 1.00 71.43 ATOM 176 C PRO 11 -3.238 -14.227 3.491 1.00 11.33 ATOM 177 O PRO 11 -3.798 -15.307 3.669 1.00 74.54 ATOM 178 N ASN 12 -1.967 -14.123 3.118 1.00 23.43 ATOM 179 HN ASN 12 -1.570 -13.227 2.997 1.00 37.96 ATOM 180 CA ASN 12 -1.139 -15.302 2.890 1.00 22.34 ATOM 181 HA ASN 12 -1.651 -15.946 2.187 1.00 24.54 ATOM 182 CB ASN 12 0.209 -14.896 2.291 1.00 60.52 ATOM 183 HB1 ASN 12 0.059 -14.082 1.595 1.00 37.96 ATOM 184 HB2 ASN 12 0.621 -15.740 1.756 1.00 23.53 ATOM 185 CG ASN 12 1.199 -14.444 3.347 1.00 52.22 ATOM 186 OD1 ASN 12 0.948 -13.486 4.079 1.00 60.23 ATOM 187 ND2 ASN 12 2.331 -15.132 3.430 1.00 63.31 ATOM 188 HD21 ASN 12 2.469 -15.904 2.836 1.00 61.41 ATOM 189 HD22 ASN 12 3.012 -14.800 4.022 1.00 14.43 ATOM 190 C ASN 12 -0.919 -16.072 4.189 1.00 31.12 ATOM 191 O ASN 12 -1.503 -15.745 5.222 1.00 43.12 ATOM 192 N GLU 13 -0.073 -17.096 4.128 1.00 11.32 ATOM 193 HN GLU 13 0.350 -17.329 3.268 1.00 37.96 ATOM 194 CA GLU 13 0.223 -17.912 5.300 1.00 41.22 ATOM 195 HA GLU 13 -0.684 -18.377 5.621 1.00 74.32 ATOM 196 CB GLU 13 1.241 -18.999 4.948 1.00 52.24 ATOM 197 HB1 GLU 13 2.184 -18.528 4.698 1.00 37.96 ATOM 198 HB2 GLU 13 0.882 -19.540 4.084 1.00 41.25 ATOM 199 CG GLU 13 1.475 -19.999 6.067 1.00 3.13 ATOM 200 HG1 GLU 13 0.614 -20.647 6.135 1.00 37.96 ATOM 201 HG2 GLU 13 1.603 -19.476 7.004 1.00 62.33 ATOM 202 CD GLU 13 2.703 -20.858 5.834 1.00 33.24 ATOM 203 OE1 GLU 13 2.743 -21.572 4.810 1.00 12.54 ATOM 204 OE2 GLU 13 3.624 -20.817 6.677 1.00 53.40 ATOM 205 C GLU 13 0.756 -17.051 6.442 1.00 64.24 ATOM 206 O GLU 13 0.267 -17.125 7.568 1.00 25.43 ATOM 207 N GLU 14 1.762 -16.236 6.140 1.00 24.05 ATOM 208 HN GLU 14 2.104 -16.245 5.239 1.00 37.96 ATOM 209 CA GLU 14 2.363 -15.363 7.142 1.00 51.41 ATOM 210 HA GLU 14 2.658 -15.970 7.988 1.00 21.34 ATOM 211 CB GLU 14 3.607 -14.677 6.573 1.00 70.21 ATOM 212 HB1 GLU 14 4.112 -14.160 7.377 1.00 37.96 ATOM 213 HB2 GLU 14 3.304 -13.950 5.832 1.00 40.14 ATOM 214 CG GLU 14 4.597 -15.641 5.941 1.00 44.41 ATOM 215 HG1 GLU 14 4.086 -16.305 5.264 1.00 37.96 ATOM 216 HG2 GLU 14 5.060 -16.221 6.724 1.00 34.55 ATOM 217 CD GLU 14 5.689 -14.930 5.165 1.00 2.52 ATOM 218 OE1 GLU 14 6.141 -15.477 4.138 1.00 54.02 ATOM 219 OE2 GLU 14 6.092 -13.825 5.586 1.00 13.32 ATOM 220 C GLU 14 1.363 -14.313 7.618 1.00 41.31 ATOM 221 O GLU 14 1.436 -13.840 8.752 1.00 34.50 ATOM 222 N ALA 15 0.431 -13.952 6.742 1.00 11.11 ATOM 223 HN ALA 15 0.417 -14.356 5.854 1.00 37.96 ATOM 224 CA ALA 15 -0.584 -12.960 7.072 1.00 14.54 ATOM 225 HA ALA 15 -0.084 -12.063 7.416 1.00 11.21 ATOM 226 CB ALA 15 -1.392 -12.598 5.834 1.00 23.23 ATOM 227 HB1 ALA 15 -1.873 -13.470 5.478 1.00 11.12 ATOM 228 HB2 ALA 15 -0.740 -12.203 5.074 1.00 55.22 ATOM 229 HB3 ALA 15 -2.133 -11.853 6.088 1.00 35.04 ATOM 230 C ALA 15 -1.505 -13.463 8.178 1.00 34.44 ATOM 231 O ALA 15 -1.747 -12.766 9.164 1.00 52.15 ATOM 232 N ARG 16 -2.017 -14.678 8.008 1.00 20.24 ATOM 233 HN ARG 16 -1.793 -15.170 7.188 1.00 37.96 ATOM 234 CA ARG 16 -2.913 -15.274 8.992 1.00 72.23 ATOM 235 HA ARG 16 -3.677 -14.548 9.243 1.00 61.51 ATOM 236 CB ARG 16 -3.592 -16.515 8.409 1.00 51.15 ATOM 237 HB1 ARG 16 -4.256 -16.202 7.616 1.00 37.96 ATOM 238 HB2 ARG 16 -4.180 -16.993 9.184 1.00 44.23 ATOM 239 CG ARG 16 -2.617 -17.529 7.834 1.00 60.24 ATOM 240 HG1 ARG 16 -1.838 -17.724 8.548 1.00 37.96 ATOM 241 HG2 ARG 16 -2.189 -17.140 6.934 1.00 42.22 ATOM 242 CD ARG 16 -3.305 -18.848 7.520 1.00 35.44 ATOM 243 HD1 ARG 16 -4.373 -18.698 7.418 1.00 37.96 ATOM 244 HD2 ARG 16 -3.139 -19.519 8.329 1.00 53.43 ATOM 245 NE ARG 16 -2.788 -19.460 6.299 1.00 1.42 ATOM 246 HE ARG 16 -2.123 -20.176 6.400 1.00 63.00 ATOM 247 CZ ARG 16 -3.168 -19.099 5.079 1.00 53.24 ATOM 248 NH1 ARG 16 -4.064 -18.135 4.918 1.00 53.23 ATOM 249 HH11 ARG 16 -4.468 -17.660 5.695 1.00 45.33 ATOM 250 HH12 ARG 16 -4.346 -17.874 3.992 1.00 31.25 ATOM 251 NH2 ARG 16 -2.652 -19.702 4.016 1.00 64.22 ATOM 252 HH21 ARG 16 -1.974 -20.431 4.130 1.00 23.22 ATOM 253 HH22 ARG 16 -2.938 -19.431 3.094 1.00 65.21 ATOM 254 C ARG 16 -2.156 -15.646 10.263 1.00 65.00 ATOM 255 O ARG 16 -2.697 -15.570 11.366 1.00 15.55 ATOM 256 N LEU 17 -0.900 -16.049 10.101 1.00 72.14 ATOM 257 HN LEU 17 -0.517 -16.102 9.195 1.00 37.96 ATOM 258 CA LEU 17 -0.067 -16.434 11.235 1.00 53.40 ATOM 259 HA LEU 17 -0.565 -17.238 11.760 1.00 33.11 ATOM 260 CB LEU 17 1.295 -16.931 10.748 1.00 53.35 ATOM 261 HB1 LEU 17 1.697 -16.189 10.072 1.00 37.96 ATOM 262 HB2 LEU 17 1.132 -17.845 10.192 1.00 10.20 ATOM 263 CG LEU 17 2.337 -17.204 11.832 1.00 30.14 ATOM 264 HG LEU 17 2.592 -16.278 12.327 1.00 12.10 ATOM 265 CD1 LEU 17 1.781 -18.158 12.878 1.00 2.04 ATOM 266 HD11 LEU 17 0.911 -17.731 13.349 1.00 75.13 ATOM 267 HD12 LEU 17 2.533 -18.334 13.630 1.00 53.14 ATOM 268 HD13 LEU 17 1.514 -19.097 12.412 1.00 0.04 ATOM 269 CD2 LEU 17 3.611 -17.766 11.219 1.00 71.34 ATOM 270 HD21 LEU 17 4.007 -17.063 10.499 1.00 30.32 ATOM 271 HD22 LEU 17 3.396 -18.703 10.724 1.00 43.15 ATOM 272 HD23 LEU 17 4.345 -17.931 11.996 1.00 4.23 ATOM 273 C LEU 17 0.120 -15.263 12.195 1.00 54.02 ATOM 274 O LEU 17 0.101 -15.437 13.413 1.00 22.44 ATOM 275 N ASP 18 0.297 -14.070 11.637 1.00 22.34 ATOM 276 HN ASP 18 0.323 -13.991 10.654 1.00 37.96 ATOM 277 CA ASP 18 0.484 -12.870 12.444 1.00 40.43 ATOM 278 HA ASP 18 1.420 -12.983 12.974 1.00 50.44 ATOM 279 CB ASP 18 0.547 -11.632 11.547 1.00 21.12 ATOM 280 HB1 ASP 18 -0.452 -11.338 11.251 1.00 37.96 ATOM 281 HB2 ASP 18 1.120 -11.868 10.661 1.00 73.12 ATOM 282 CG ASP 18 1.213 -10.455 12.231 1.00 4.25 ATOM 283 OD1 ASP 18 1.911 -10.674 13.243 1.00 21.44 ATOM 284 OD2 ASP 18 1.036 -9.314 11.756 1.00 45.54 ATOM 285 C ASP 18 -0.642 -12.718 13.462 1.00 23.41 ATOM 286 O ASP 18 -0.403 -12.363 14.617 1.00 74.21 ATOM 287 N ILE 19 -1.867 -12.989 13.026 1.00 33.22 ATOM 288 HN ILE 19 -1.989 -13.293 12.099 1.00 37.96 ATOM 289 CA ILE 19 -3.029 -12.883 13.900 1.00 71.10 ATOM 290 HA ILE 19 -3.087 -11.862 14.259 1.00 1.52 ATOM 291 CB ILE 19 -4.332 -13.206 13.146 1.00 73.35 ATOM 292 HB ILE 19 -4.285 -14.235 12.813 1.00 3.12 ATOM 293 CG1 ILE 19 -4.482 -12.292 11.928 1.00 74.12 ATOM 294 HG11 ILE 19 -3.564 -12.267 11.363 1.00 37.96 ATOM 295 HG12 ILE 19 -4.715 -11.289 12.255 1.00 64.43 ATOM 296 CG2 ILE 19 -5.530 -13.064 14.073 1.00 52.25 ATOM 297 HG21 ILE 19 -5.572 -13.921 14.717 1.00 1.52 ATOM 298 HG22 ILE 19 -6.448 -13.018 13.503 1.00 21.53 ATOM 299 HG23 ILE 19 -5.438 -12.168 14.672 1.00 70.45 ATOM 300 CD1 ILE 19 -5.573 -12.729 10.975 1.00 64.43 ATOM 301 HD11 ILE 19 -5.466 -12.196 10.042 1.00 60.11 ATOM 302 HD12 ILE 19 -6.533 -12.501 11.406 1.00 61.35 ATOM 303 HD13 ILE 19 -5.501 -13.793 10.791 1.00 40.40 ATOM 304 C ILE 19 -2.903 -13.818 15.098 1.00 72.10 ATOM 305 O ILE 19 -3.133 -13.417 16.240 1.00 53.14 ATOM 306 N LEU 20 -2.535 -15.066 14.831 1.00 61.20 ATOM 307 HN LEU 20 -2.369 -15.332 13.895 1.00 37.96 ATOM 308 CA LEU 20 -2.376 -16.060 15.887 1.00 2.44 ATOM 309 HA LEU 20 -3.315 -16.138 16.421 1.00 44.43 ATOM 310 CB LEU 20 -2.032 -17.423 15.285 1.00 33.10 ATOM 311 HB1 LEU 20 -1.615 -18.045 16.072 1.00 37.96 ATOM 312 HB2 LEU 20 -1.251 -17.264 14.551 1.00 11.25 ATOM 313 CG LEU 20 -3.190 -18.179 14.632 1.00 20.21 ATOM 314 HG LEU 20 -4.076 -17.572 14.655 1.00 10.25 ATOM 315 CD1 LEU 20 -2.874 -18.486 13.176 1.00 0.54 ATOM 316 HD11 LEU 20 -2.671 -17.570 12.649 1.00 61.40 ATOM 317 HD12 LEU 20 -3.720 -18.979 12.718 1.00 64.12 ATOM 318 HD13 LEU 20 -2.008 -19.131 13.118 1.00 63.53 ATOM 319 CD2 LEU 20 -3.488 -19.461 15.396 1.00 12.02 ATOM 320 HD21 LEU 20 -2.620 -20.106 15.380 1.00 74.33 ATOM 321 HD22 LEU 20 -4.323 -19.971 14.937 1.00 32.23 ATOM 322 HD23 LEU 20 -3.738 -19.222 16.421 1.00 24.12 ATOM 323 C LEU 20 -1.290 -15.638 16.872 1.00 20.03 ATOM 324 O LEU 20 -1.370 -15.931 18.065 1.00 35.43 ATOM 325 N LYS 21 -0.275 -14.946 16.366 1.00 72.05 ATOM 326 HN LYS 21 -0.252 -14.748 15.401 1.00 37.96 ATOM 327 CA LYS 21 0.826 -14.480 17.200 1.00 40.12 ATOM 328 HA LYS 21 1.175 -15.312 17.796 1.00 13.41 ATOM 329 CB LYS 21 1.978 -13.979 16.326 1.00 1.52 ATOM 330 HB1 LYS 21 2.645 -13.370 16.927 1.00 37.96 ATOM 331 HB2 LYS 21 1.576 -13.371 15.532 1.00 35.11 ATOM 332 CG LYS 21 2.802 -15.094 15.706 1.00 35.23 ATOM 333 HG1 LYS 21 2.148 -15.716 15.110 1.00 37.96 ATOM 334 HG2 LYS 21 3.228 -15.689 16.503 1.00 11.12 ATOM 335 CD LYS 21 3.902 -14.545 14.814 1.00 60.42 ATOM 336 HD1 LYS 21 3.942 -13.464 14.885 1.00 37.96 ATOM 337 HD2 LYS 21 3.688 -14.825 13.793 1.00 72.22 ATOM 338 CE LYS 21 5.262 -15.112 15.193 1.00 74.33 ATOM 339 HE1 LYS 21 5.893 -15.094 14.316 1.00 37.96 ATOM 340 HE2 LYS 21 5.155 -16.136 15.530 1.00 4.53 ATOM 341 NZ LYS 21 5.917 -14.313 16.265 1.00 53.11 ATOM 342 HZ1 LYS 21 5.327 -14.306 17.123 1.00 51.24 ATOM 343 HZ2 LYS 21 6.062 -13.332 15.949 1.00 22.12 ATOM 344 HZ3 LYS 21 6.842 -14.726 16.500 1.00 25.54 ATOM 345 C LYS 21 0.365 -13.369 18.138 1.00 22.34 ATOM 346 O LYS 21 0.501 -13.478 19.357 1.00 34.44 ATOM 347 N ILE 22 -0.180 -12.303 17.563 1.00 11.00 ATOM 348 HN ILE 22 -0.279 -12.290 16.582 1.00 37.96 ATOM 349 CA ILE 22 -0.663 -11.174 18.349 1.00 20.51 ATOM 350 HA ILE 22 0.191 -10.708 18.810 1.00 32.24 ATOM 351 CB ILE 22 -1.369 -10.132 17.462 1.00 0.35 ATOM 352 HB ILE 22 -2.210 -10.617 16.982 1.00 62.04 ATOM 353 CG1 ILE 22 -0.407 -9.600 16.398 1.00 61.31 ATOM 354 HG11 ILE 22 0.366 -10.324 16.185 1.00 37.96 ATOM 355 HG12 ILE 22 0.067 -8.693 16.750 1.00 70.40 ATOM 356 CG2 ILE 22 -1.909 -8.992 18.313 1.00 3.40 ATOM 357 HG21 ILE 22 -2.934 -9.210 18.577 1.00 43.33 ATOM 358 HG22 ILE 22 -1.879 -8.058 17.767 1.00 25.30 ATOM 359 HG23 ILE 22 -1.333 -8.897 19.212 1.00 50.52 ATOM 360 CD1 ILE 22 -1.080 -9.275 15.083 1.00 35.02 ATOM 361 HD11 ILE 22 -0.341 -8.928 14.376 1.00 14.12 ATOM 362 HD12 ILE 22 -1.819 -8.503 15.238 1.00 62.11 ATOM 363 HD13 ILE 22 -1.561 -10.161 14.695 1.00 64.12 ATOM 364 C ILE 22 -1.626 -11.635 19.438 1.00 71.00 ATOM 365 O ILE 22 -1.622 -11.106 20.550 1.00 54.42 ATOM 366 N HIS 23 -2.450 -12.626 19.111 1.00 22.05 ATOM 367 HN HIS 23 -2.416 -13.011 18.204 1.00 37.96 ATOM 368 CA HIS 23 -3.418 -13.161 20.063 1.00 43.52 ATOM 369 HA HIS 23 -3.874 -12.332 20.591 1.00 30.40 ATOM 370 CB HIS 23 -4.507 -13.944 19.329 1.00 44.20 ATOM 371 HB1 HIS 23 -5.106 -14.477 20.050 1.00 37.96 ATOM 372 HB2 HIS 23 -4.049 -14.649 18.653 1.00 50.40 ATOM 373 CG HIS 23 -5.441 -13.077 18.542 1.00 64.12 ATOM 374 ND1 HIS 23 -5.896 -11.856 18.994 1.00 63.52 ATOM 375 HD1 HIS 23 -5.671 -11.441 19.852 1.00 71.44 ATOM 376 CD2 HIS 23 -6.004 -13.260 17.325 1.00 43.35 ATOM 377 HD2 HIS 23 -5.888 -14.127 16.696 1.00 53.32 ATOM 378 CE1 HIS 23 -6.700 -11.327 18.090 1.00 41.45 ATOM 379 HE1 HIS 23 -7.204 -10.375 18.173 1.00 72.44 ATOM 380 NE2 HIS 23 -6.782 -12.158 17.067 1.00 61.05 ATOM 381 HE2 HIS 23 -7.385 -12.053 16.301 1.00 37.96 ATOM 382 C HIS 23 -2.732 -14.058 21.089 1.00 74.24 ATOM 383 O HIS 23 -3.132 -14.105 22.252 1.00 3.21 ATOM 384 N SER 24 -1.700 -14.770 20.649 1.00 44.01 ATOM 385 HN SER 24 -1.432 -14.708 19.705 1.00 37.96 ATOM 386 CA SER 24 -0.962 -15.670 21.528 1.00 42.13 ATOM 387 HA SER 24 -1.675 -16.257 22.094 1.00 5.45 ATOM 388 CB SER 24 -0.092 -16.622 20.704 1.00 12.21 ATOM 389 HB1 SER 24 -0.690 -17.098 19.948 1.00 37.96 ATOM 390 HB2 SER 24 0.303 -17.362 21.350 1.00 52.01 ATOM 391 OG SER 24 0.978 -15.929 20.085 1.00 12.44 ATOM 392 HG SER 24 1.591 -16.561 19.703 1.00 45.05 ATOM 393 C SER 24 -0.092 -14.884 22.504 1.00 44.34 ATOM 394 O SER 24 0.223 -15.360 23.594 1.00 31.13 ATOM 395 N ARG 25 0.294 -13.677 22.103 1.00 50.34 ATOM 396 HN ARG 25 0.034 -13.350 21.211 1.00 37.96 ATOM 397 CA ARG 25 1.129 -12.824 22.940 1.00 11.00 ATOM 398 HA ARG 25 2.082 -13.319 23.076 1.00 51.03 ATOM 399 CB ARG 25 1.353 -11.471 22.263 1.00 2.41 ATOM 400 HB1 ARG 25 1.662 -10.747 23.011 1.00 37.96 ATOM 401 HB2 ARG 25 0.424 -11.147 21.832 1.00 0.25 ATOM 402 CG ARG 25 2.411 -11.503 21.172 1.00 74.22 ATOM 403 HG1 ARG 25 2.036 -12.055 20.332 1.00 37.96 ATOM 404 HG2 ARG 25 3.300 -11.986 21.553 1.00 5.31 ATOM 405 CD ARG 25 2.781 -10.102 20.713 1.00 53.45 ATOM 406 HD1 ARG 25 3.362 -10.176 19.805 1.00 37.96 ATOM 407 HD2 ARG 25 3.378 -9.638 21.486 1.00 62.04 ATOM 408 NE ARG 25 1.601 -9.280 20.458 1.00 53.42 ATOM 409 HE ARG 25 0.721 -9.708 20.460 1.00 2.41 ATOM 410 CZ ARG 25 1.653 -7.976 20.210 1.00 40.32 ATOM 411 NH1 ARG 25 2.821 -7.349 20.183 1.00 41.03 ATOM 412 HH11 ARG 25 3.678 -7.835 20.345 1.00 50.23 ATOM 413 HH12 ARG 25 2.850 -6.365 19.996 1.00 32.24 ATOM 414 NH2 ARG 25 0.535 -7.296 19.988 1.00 62.14 ATOM 415 HH21 ARG 25 -0.339 -7.749 20.025 1.00 71.21 ATOM 416 HH22 ARG 25 0.575 -6.316 19.781 1.00 14.01 ATOM 417 C ARG 25 0.493 -12.619 24.312 1.00 61.30 ATOM 418 O ARG 25 1.190 -12.479 25.317 1.00 23.50 ATOM 419 N LYS 26 -0.835 -12.602 24.346 1.00 31.42 ATOM 420 HN LYS 26 -1.348 -12.700 23.512 1.00 37.96 ATOM 421 CA LYS 26 -1.566 -12.416 25.594 1.00 55.33 ATOM 422 HA LYS 26 -0.983 -11.773 26.244 1.00 2.44 ATOM 423 CB LYS 26 -2.924 -11.764 25.320 1.00 1.03 ATOM 424 HB1 LYS 26 -3.665 -12.199 25.981 1.00 37.96 ATOM 425 HB2 LYS 26 -3.219 -11.971 24.299 1.00 65.11 ATOM 426 CG LYS 26 -2.925 -10.257 25.511 1.00 24.23 ATOM 427 HG1 LYS 26 -2.963 -9.796 24.534 1.00 37.96 ATOM 428 HG2 LYS 26 -2.017 -9.944 26.002 1.00 51.53 ATOM 429 CD LYS 26 -4.138 -9.796 26.300 1.00 13.35 ATOM 430 HD1 LYS 26 -4.931 -10.532 26.247 1.00 37.96 ATOM 431 HD2 LYS 26 -4.490 -8.870 25.871 1.00 72.10 ATOM 432 CE LYS 26 -3.792 -9.544 27.760 1.00 65.21 ATOM 433 HE1 LYS 26 -3.377 -10.447 28.186 1.00 37.96 ATOM 434 HE2 LYS 26 -4.697 -9.283 28.289 1.00 10.43 ATOM 435 NZ LYS 26 -2.809 -8.436 27.914 1.00 53.54 ATOM 436 HZ1 LYS 26 -2.760 -8.147 28.912 1.00 15.12 ATOM 437 HZ2 LYS 26 -3.090 -7.609 27.345 1.00 15.12 ATOM 438 HZ3 LYS 26 -1.864 -8.744 27.615 1.00 63.13 ATOM 439 C LYS 26 -1.765 -13.746 26.312 1.00 31.43 ATOM 440 O LYS 26 -1.857 -13.792 27.539 1.00 64.44 ATOM 441 N MET 27 -1.829 -14.827 25.541 1.00 54.43 ATOM 442 HN MET 27 -1.776 -14.738 24.567 1.00 37.96 ATOM 443 CA MET 27 -2.014 -16.158 26.105 1.00 34.51 ATOM 444 HA MET 27 -2.480 -16.069 27.080 1.00 71.25 ATOM 445 CB MET 27 -2.931 -16.993 25.208 1.00 11.15 ATOM 446 HB1 MET 27 -2.967 -18.006 25.581 1.00 37.96 ATOM 447 HB2 MET 27 -2.518 -17.004 24.210 1.00 24.13 ATOM 448 CG MET 27 -4.351 -16.457 25.124 1.00 0.33 ATOM 449 HG1 MET 27 -4.415 -15.783 24.282 1.00 37.96 ATOM 450 HG2 MET 27 -4.590 -15.918 26.032 1.00 3.14 ATOM 451 SD MET 27 -5.575 -17.763 24.907 1.00 0.23 ATOM 452 CE MET 27 -4.785 -18.761 23.648 1.00 61.25 ATOM 453 HE1 MET 27 -4.041 -18.187 23.125 1.00 12.32 ATOM 454 HE2 MET 27 -5.524 -19.104 22.947 1.00 10.10 ATOM 455 HE3 MET 27 -4.314 -19.611 24.112 1.00 40.23 ATOM 456 C MET 27 -0.674 -16.866 26.280 1.00 12.42 ATOM 457 O MET 27 0.381 -16.289 26.021 1.00 51.41 ATOM 458 N ASN 28 -0.724 -18.118 26.722 1.00 32.12 ATOM 459 HN ASN 28 -1.590 -18.531 26.939 1.00 37.96 ATOM 460 CA ASN 28 0.487 -18.903 26.933 1.00 73.23 ATOM 461 HA ASN 28 1.346 -18.238 26.937 1.00 51.03 ATOM 462 CB ASN 28 0.420 -19.632 28.276 1.00 33.13 ATOM 463 HB1 ASN 28 1.131 -20.450 28.287 1.00 37.96 ATOM 464 HB2 ASN 28 -0.575 -20.028 28.418 1.00 32.23 ATOM 465 CG ASN 28 0.740 -18.720 29.445 1.00 34.42 ATOM 466 OD1 ASN 28 1.169 -17.582 29.259 1.00 12.42 ATOM 467 ND2 ASN 28 0.532 -19.219 30.658 1.00 14.13 ATOM 468 HD21 ASN 28 0.195 -20.137 30.738 1.00 22.15 ATOM 469 HD22 ASN 28 0.725 -18.646 31.429 1.00 44.31 ATOM 470 C ASN 28 0.685 -19.911 25.804 1.00 13.33 ATOM 471 O ASN 28 -0.274 -20.325 25.151 1.00 12.14 ATOM 472 N LEU 29 1.934 -20.302 25.580 1.00 4.44 ATOM 473 HN LEU 29 2.666 -19.927 26.125 1.00 37.96 ATOM 474 CA LEU 29 2.259 -21.262 24.531 1.00 4.32 ATOM 475 HA LEU 29 1.370 -21.819 24.283 1.00 43.13 ATOM 476 CB LEU 29 2.737 -20.532 23.275 1.00 53.45 ATOM 477 HB1 LEU 29 2.763 -21.234 22.466 1.00 37.96 ATOM 478 HB2 LEU 29 3.753 -20.192 23.456 1.00 41.43 ATOM 479 CG LEU 29 1.911 -19.317 22.850 1.00 52.23 ATOM 480 HG LEU 29 1.815 -18.637 23.682 1.00 72.13 ATOM 481 CD1 LEU 29 2.607 -18.564 21.727 1.00 62.35 ATOM 482 HD11 LEU 29 3.676 -18.554 21.898 1.00 33.34 ATOM 483 HD12 LEU 29 2.259 -17.548 21.708 1.00 64.11 ATOM 484 HD13 LEU 29 2.406 -19.035 20.773 1.00 15.23 ATOM 485 CD2 LEU 29 0.514 -19.744 22.422 1.00 24.40 ATOM 486 HD21 LEU 29 0.206 -20.629 22.945 1.00 73.51 ATOM 487 HD22 LEU 29 0.500 -19.945 21.361 1.00 64.32 ATOM 488 HD23 LEU 29 -0.182 -18.949 22.642 1.00 63.55 ATOM 489 C LEU 29 3.330 -22.241 25.002 1.00 42.13 ATOM 490 O LEU 29 4.285 -21.857 25.677 1.00 4.53 ATOM 491 N THR 30 3.166 -23.509 24.638 1.00 32.24 ATOM 492 HN THR 30 2.375 -23.758 24.104 1.00 37.96 ATOM 493 CA THR 30 4.118 -24.544 25.022 1.00 1.41 ATOM 494 HA THR 30 4.072 -24.661 26.096 1.00 1.33 ATOM 495 CB THR 30 3.769 -25.897 24.375 1.00 55.12 ATOM 496 HB THR 30 2.784 -26.185 24.696 1.00 20.42 ATOM 497 OG1 THR 30 4.702 -26.898 24.797 1.00 13.42 ATOM 498 HG1 THR 30 4.461 -27.217 25.671 1.00 61.30 ATOM 499 CG2 THR 30 3.783 -25.791 22.857 1.00 3.13 ATOM 500 HG21 THR 30 4.725 -25.411 22.524 1.00 75.13 ATOM 501 HG22 THR 30 2.992 -25.133 22.536 1.00 21.25 ATOM 502 HG23 THR 30 3.623 -26.771 22.432 1.00 22.41 ATOM 503 C THR 30 5.539 -24.157 24.628 1.00 52.51 ATOM 504 O THR 30 5.745 -23.231 23.843 1.00 51.12 ATOM 505 N ARG 31 6.516 -24.871 25.177 1.00 73.02 ATOM 506 HN ARG 31 6.277 -25.578 25.819 1.00 37.96 ATOM 507 CA ARG 31 7.918 -24.601 24.882 1.00 31.33 ATOM 508 HA ARG 31 8.101 -23.545 25.036 1.00 3.15 ATOM 509 CB ARG 31 8.822 -25.397 25.826 1.00 75.32 ATOM 510 HB1 ARG 31 8.689 -25.004 26.825 1.00 37.96 ATOM 511 HB2 ARG 31 9.855 -25.244 25.540 1.00 41.40 ATOM 512 CG ARG 31 8.503 -26.883 25.865 1.00 64.04 ATOM 513 HG1 ARG 31 7.602 -27.099 25.312 1.00 37.96 ATOM 514 HG2 ARG 31 8.362 -27.175 26.895 1.00 0.51 ATOM 515 CD ARG 31 9.634 -27.711 25.274 1.00 4.54 ATOM 516 HD1 ARG 31 10.585 -27.209 25.407 1.00 37.96 ATOM 517 HD2 ARG 31 9.447 -27.822 24.216 1.00 45.10 ATOM 518 NE ARG 31 9.704 -29.044 25.867 1.00 43.51 ATOM 519 HE ARG 31 9.295 -29.783 25.365 1.00 35.33 ATOM 520 CZ ARG 31 10.285 -29.299 27.034 1.00 33.51 ATOM 521 NH1 ARG 31 10.842 -28.318 27.730 1.00 22.42 ATOM 522 HH11 ARG 31 10.837 -27.376 27.404 1.00 65.45 ATOM 523 HH12 ARG 31 11.280 -28.524 28.608 1.00 14.34 ATOM 524 NH2 ARG 31 10.308 -30.539 27.507 1.00 13.13 ATOM 525 HH21 ARG 31 9.888 -31.285 26.986 1.00 22.04 ATOM 526 HH22 ARG 31 10.746 -30.735 28.387 1.00 12.55 ATOM 527 C ARG 31 8.246 -24.949 23.433 1.00 14.12 ATOM 528 O ARG 31 9.117 -24.335 22.819 1.00 53.15 ATOM 529 N GLY 32 7.541 -25.939 22.893 1.00 1.03 ATOM 530 HN GLY 32 6.859 -26.412 23.416 1.00 37.96 ATOM 531 CA GLY 32 7.772 -26.352 21.521 1.00 2.43 ATOM 532 HA1 GLY 32 8.046 -27.397 21.523 1.00 37.96 ATOM 533 HA2 GLY 32 8.584 -25.787 21.079 1.00 13.43 ATOM 534 C GLY 32 6.543 -26.184 20.651 1.00 73.43 ATOM 535 O GLY 32 6.061 -27.148 20.055 1.00 74.05 ATOM 536 N ILE 33 6.033 -24.959 20.578 1.00 22.42 ATOM 537 HN ILE 33 6.468 -24.224 21.071 1.00 37.96 ATOM 538 CA ILE 33 4.852 -24.670 19.775 1.00 60.24 ATOM 539 HA ILE 33 4.220 -25.550 19.783 1.00 53.54 ATOM 540 CB ILE 33 4.048 -23.494 20.359 1.00 34.11 ATOM 541 HB ILE 33 3.973 -23.619 21.420 1.00 1.31 ATOM 542 CG1 ILE 33 2.643 -23.458 19.754 1.00 34.23 ATOM 543 HG11 ILE 33 2.146 -24.389 19.957 1.00 37.96 ATOM 544 HG12 ILE 33 2.704 -23.308 18.690 1.00 12.33 ATOM 545 CG2 ILE 33 4.772 -22.180 20.108 1.00 61.13 ATOM 546 HG21 ILE 33 4.374 -21.426 20.770 1.00 2.32 ATOM 547 HG22 ILE 33 4.632 -21.859 19.084 1.00 72.15 ATOM 548 HG23 ILE 33 5.830 -22.293 20.305 1.00 54.12 ATOM 549 CD1 ILE 33 1.773 -22.353 20.311 1.00 2.31 ATOM 550 HD11 ILE 33 2.289 -21.407 20.283 1.00 31.42 ATOM 551 HD12 ILE 33 1.498 -22.587 21.328 1.00 25.52 ATOM 552 HD13 ILE 33 0.884 -22.282 19.709 1.00 1.13 ATOM 553 C ILE 33 5.233 -24.345 18.334 1.00 1.24 ATOM 554 O ILE 33 6.320 -23.834 18.070 1.00 43.52 ATOM 555 N ASN 34 4.329 -24.644 17.407 1.00 42.41 ATOM 556 HN ASN 34 3.483 -25.071 17.670 1.00 37.96 ATOM 557 CA ASN 34 4.570 -24.382 15.993 1.00 40.34 ATOM 558 HA ASN 34 5.381 -23.665 15.904 1.00 33.31 ATOM 559 CB ASN 34 4.962 -25.674 15.273 1.00 53.33 ATOM 560 HB1 ASN 34 4.089 -26.206 14.945 1.00 37.96 ATOM 561 HB2 ASN 34 5.513 -26.304 15.958 1.00 61.12 ATOM 562 CG ASN 34 5.852 -25.419 14.072 1.00 70.33 ATOM 563 OD1 ASN 34 7.056 -25.202 14.212 1.00 15.42 ATOM 564 ND2 ASN 34 5.262 -25.446 12.882 1.00 3.41 ATOM 565 HD21 ASN 34 4.315 -25.626 12.841 1.00 24.12 ATOM 566 HD22 ASN 34 5.815 -25.282 12.090 1.00 75.04 ATOM 567 C ASN 34 3.335 -23.774 15.334 1.00 4.41 ATOM 568 O ASN 34 2.591 -24.460 14.633 1.00 52.24 ATOM 569 N LEU 35 3.124 -22.482 15.564 1.00 25.41 ATOM 570 HN LEU 35 3.781 -21.984 16.103 1.00 37.96 ATOM 571 CA LEU 35 1.980 -21.780 14.993 1.00 63.41 ATOM 572 HA LEU 35 1.087 -22.265 15.330 1.00 51.54 ATOM 573 CB LEU 35 1.952 -20.331 15.480 1.00 54.54 ATOM 574 HB1 LEU 35 1.046 -19.862 15.115 1.00 37.96 ATOM 575 HB2 LEU 35 2.799 -19.828 15.027 1.00 42.42 ATOM 576 CG LEU 35 2.041 -20.129 16.993 1.00 53.43 ATOM 577 HG LEU 35 2.690 -20.870 17.432 1.00 3.45 ATOM 578 CD1 LEU 35 2.633 -18.765 17.315 1.00 34.44 ATOM 579 HD11 LEU 35 3.618 -18.685 16.877 1.00 71.12 ATOM 580 HD12 LEU 35 2.711 -18.647 18.387 1.00 12.03 ATOM 581 HD13 LEU 35 1.998 -17.987 16.914 1.00 40.32 ATOM 582 CD2 LEU 35 0.669 -20.281 17.633 1.00 74.42 ATOM 583 HD21 LEU 35 0.276 -21.265 17.418 1.00 63.42 ATOM 584 HD22 LEU 35 -0.004 -19.532 17.238 1.00 52.12 ATOM 585 HD23 LEU 35 0.753 -20.159 18.704 1.00 52.25 ATOM 586 C LEU 35 2.025 -21.816 13.469 1.00 60.34 ATOM 587 O LEU 35 0.991 -21.731 12.805 1.00 4.43 ATOM 588 N ARG 36 3.229 -21.946 12.920 1.00 55.40 ATOM 589 HN ARG 36 4.030 -21.965 13.490 1.00 37.96 ATOM 590 CA ARG 36 3.408 -21.994 11.474 1.00 72.11 ATOM 591 HA ARG 36 3.068 -21.049 11.069 1.00 24.54 ATOM 592 CB ARG 36 4.885 -22.191 11.128 1.00 32.10 ATOM 593 HB1 ARG 36 5.132 -23.246 11.192 1.00 37.96 ATOM 594 HB2 ARG 36 5.486 -21.652 11.850 1.00 43.54 ATOM 595 CG ARG 36 5.260 -21.681 9.746 1.00 2.44 ATOM 596 HG1 ARG 36 5.321 -20.602 9.779 1.00 37.96 ATOM 597 HG2 ARG 36 4.500 -21.979 9.035 1.00 43.53 ATOM 598 CD ARG 36 6.597 -22.242 9.289 1.00 22.52 ATOM 599 HD1 ARG 36 6.428 -23.202 8.823 1.00 37.96 ATOM 600 HD2 ARG 36 7.246 -22.369 10.148 1.00 70.31 ATOM 601 NE ARG 36 7.261 -21.363 8.330 1.00 23.54 ATOM 602 HE ARG 36 6.772 -20.566 8.017 1.00 21.31 ATOM 603 CZ ARG 36 8.483 -21.581 7.858 1.00 64.33 ATOM 604 NH1 ARG 36 9.171 -22.644 8.253 1.00 51.12 ATOM 605 HH11 ARG 36 8.791 -23.297 8.906 1.00 73.44 ATOM 606 HH12 ARG 36 10.093 -22.800 7.892 1.00 34.33 ATOM 607 NH2 ARG 36 9.020 -20.735 6.987 1.00 30.54 ATOM 608 HH21 ARG 36 8.505 -19.930 6.684 1.00 34.51 ATOM 609 HH22 ARG 36 9.942 -20.897 6.630 1.00 34.15 ATOM 610 C ARG 36 2.576 -23.117 10.860 1.00 4.14 ATOM 611 O ARG 36 2.001 -22.961 9.783 1.00 30.02 ATOM 612 N LYS 37 2.518 -24.249 11.553 1.00 22.32 ATOM 613 HN LYS 37 2.968 -24.306 12.422 1.00 37.96 ATOM 614 CA LYS 37 1.757 -25.399 11.078 1.00 4.15 ATOM 615 HA LYS 37 1.904 -25.492 10.013 1.00 2.01 ATOM 616 CB LYS 37 2.254 -26.679 11.753 1.00 25.43 ATOM 617 HB1 LYS 37 2.204 -26.556 12.826 1.00 37.96 ATOM 618 HB2 LYS 37 3.285 -26.831 11.467 1.00 11.31 ATOM 619 CG LYS 37 1.480 -27.921 11.347 1.00 61.21 ATOM 620 HG1 LYS 37 2.173 -28.749 11.277 1.00 37.96 ATOM 621 HG2 LYS 37 1.024 -27.763 10.376 1.00 23.11 ATOM 622 CD LYS 37 0.386 -28.249 12.349 1.00 52.21 ATOM 623 HD1 LYS 37 -0.497 -28.517 11.802 1.00 37.96 ATOM 624 HD2 LYS 37 0.171 -27.392 12.973 1.00 74.44 ATOM 625 CE LYS 37 0.780 -29.413 13.244 1.00 24.23 ATOM 626 HE1 LYS 37 0.312 -29.274 14.198 1.00 37.96 ATOM 627 HE2 LYS 37 1.854 -29.431 13.377 1.00 64.53 ATOM 628 NZ LYS 37 0.338 -30.720 12.683 1.00 43.45 ATOM 629 HZ1 LYS 37 0.772 -30.879 11.749 1.00 53.41 ATOM 630 HZ2 LYS 37 -0.698 -30.739 12.580 1.00 31.53 ATOM 631 HZ3 LYS 37 0.623 -31.493 13.319 1.00 23.43 ATOM 632 C LYS 37 0.268 -25.215 11.349 1.00 55.31 ATOM 633 O LYS 37 -0.575 -25.714 10.602 1.00 45.22 ATOM 634 N ILE 38 -0.050 -24.495 12.419 1.00 12.35 ATOM 635 HN ILE 38 0.664 -24.109 12.963 1.00 37.96 ATOM 636 CA ILE 38 -1.438 -24.243 12.786 1.00 74.13 ATOM 637 HA ILE 38 -1.932 -25.199 12.907 1.00 22.12 ATOM 638 CB ILE 38 -1.539 -23.467 14.112 1.00 21.33 ATOM 639 HB ILE 38 -1.151 -22.469 13.964 1.00 11.41 ATOM 640 CG1 ILE 38 -0.709 -24.158 15.196 1.00 33.25 ATOM 641 HG11 ILE 38 -0.822 -23.622 16.128 1.00 37.96 ATOM 642 HG12 ILE 38 0.322 -24.155 14.920 1.00 43.22 ATOM 643 CG2 ILE 38 -2.992 -23.346 14.546 1.00 30.23 ATOM 644 HG21 ILE 38 -3.559 -22.824 13.791 1.00 73.11 ATOM 645 HG22 ILE 38 -3.045 -22.778 15.458 1.00 4.14 ATOM 646 HG23 ILE 38 -3.424 -24.321 14.700 1.00 71.32 ATOM 647 CD1 ILE 38 -1.112 -25.595 15.442 1.00 75.31 ATOM 648 HD11 ILE 38 -2.159 -25.734 15.277 1.00 31.24 ATOM 649 HD12 ILE 38 -0.883 -25.854 16.459 1.00 32.03 ATOM 650 HD13 ILE 38 -0.556 -26.239 14.777 1.00 62.54 ATOM 651 C ILE 38 -2.161 -23.459 11.695 1.00 31.34 ATOM 652 O ILE 38 -3.141 -23.934 11.121 1.00 2.24 ATOM 653 N ALA 39 -1.670 -22.257 11.414 1.00 64.12 ATOM 654 HN ALA 39 -0.875 -21.935 11.902 1.00 37.96 ATOM 655 CA ALA 39 -2.266 -21.409 10.389 1.00 1.35 ATOM 656 HA ALA 39 -3.260 -21.160 10.704 1.00 75.34 ATOM 657 CB ALA 39 -1.477 -20.115 10.251 1.00 53.10 ATOM 658 HB1 ALA 39 -0.731 -20.202 9.470 1.00 73.35 ATOM 659 HB2 ALA 39 -0.981 -19.889 11.185 1.00 51.31 ATOM 660 HB3 ALA 39 -2.150 -19.309 10.017 1.00 54.21 ATOM 661 C ALA 39 -2.337 -22.133 9.050 1.00 61.24 ATOM 662 O ALA 39 -3.234 -21.883 8.246 1.00 53.02 ATOM 663 N GLU 40 -1.385 -23.031 8.816 1.00 23.12 ATOM 664 HN GLU 40 -0.666 -23.167 9.475 1.00 37.96 ATOM 665 CA GLU 40 -1.340 -23.790 7.572 1.00 21.20 ATOM 666 HA GLU 40 -1.302 -23.085 6.749 1.00 4.14 ATOM 667 CB GLU 40 -0.095 -24.679 7.536 1.00 71.23 ATOM 668 HB1 GLU 40 -0.299 -25.565 6.944 1.00 37.96 ATOM 669 HB2 GLU 40 0.155 -24.984 8.536 1.00 73.40 ATOM 670 CG GLU 40 1.123 -23.996 6.938 1.00 64.33 ATOM 671 HG1 GLU 40 1.375 -23.137 7.534 1.00 37.96 ATOM 672 HG2 GLU 40 0.879 -23.673 5.936 1.00 1.10 ATOM 673 CD GLU 40 2.328 -24.914 6.861 1.00 73.53 ATOM 674 OE1 GLU 40 3.183 -24.697 5.977 1.00 61.01 ATOM 675 OE2 GLU 40 2.415 -25.850 7.683 1.00 11.11 ATOM 676 C GLU 40 -2.594 -24.645 7.411 1.00 43.13 ATOM 677 O GLU 40 -2.948 -25.044 6.301 1.00 73.04 ATOM 678 N LEU 41 -3.260 -24.923 8.526 1.00 54.24 ATOM 679 HN LEU 41 -2.920 -24.628 9.392 1.00 37.96 ATOM 680 CA LEU 41 -4.475 -25.731 8.510 1.00 41.24 ATOM 681 HA LEU 41 -4.469 -26.362 7.629 1.00 44.22 ATOM 682 CB LEU 41 -4.527 -26.633 9.744 1.00 14.41 ATOM 683 HB1 LEU 41 -5.393 -27.279 9.658 1.00 37.96 ATOM 684 HB2 LEU 41 -4.674 -25.992 10.608 1.00 65.20 ATOM 685 CG LEU 41 -3.292 -27.498 9.996 1.00 10.54 ATOM 686 HG LEU 41 -2.404 -26.954 9.721 1.00 62.42 ATOM 687 CD1 LEU 41 -3.178 -27.848 11.472 1.00 51.21 ATOM 688 HD11 LEU 41 -2.411 -28.589 11.618 1.00 63.22 ATOM 689 HD12 LEU 41 -4.120 -28.243 11.829 1.00 65.54 ATOM 690 HD13 LEU 41 -2.928 -26.960 12.032 1.00 42.15 ATOM 691 CD2 LEU 41 -3.343 -28.760 9.149 1.00 60.41 ATOM 692 HD21 LEU 41 -3.395 -28.492 8.103 1.00 43.41 ATOM 693 HD22 LEU 41 -4.214 -29.343 9.414 1.00 73.34 ATOM 694 HD23 LEU 41 -2.452 -29.349 9.321 1.00 32.21 ATOM 695 C LEU 41 -5.717 -24.846 8.459 1.00 63.44 ATOM 696 O LEU 41 -6.748 -25.173 9.046 1.00 63.14 ATOM 697 N MET 42 -5.610 -23.726 7.751 1.00 34.33 ATOM 698 HN MET 42 -4.780 -23.505 7.290 1.00 37.96 ATOM 699 CA MET 42 -6.726 -22.797 7.621 1.00 54.42 ATOM 700 HA MET 42 -7.632 -23.266 7.983 1.00 10.35 ATOM 701 CB MET 42 -6.479 -21.547 8.469 1.00 61.34 ATOM 702 HB1 MET 42 -7.395 -20.974 8.507 1.00 37.96 ATOM 703 HB2 MET 42 -5.705 -20.946 8.007 1.00 54.11 ATOM 704 CG MET 42 -6.040 -21.855 9.891 1.00 32.30 ATOM 705 HG1 MET 42 -5.061 -22.309 9.866 1.00 37.96 ATOM 706 HG2 MET 42 -6.743 -22.540 10.325 1.00 64.24 ATOM 707 SD MET 42 -5.971 -20.384 10.931 1.00 52.34 ATOM 708 CE MET 42 -7.712 -20.123 11.264 1.00 4.02 ATOM 709 HE1 MET 42 -7.816 -19.483 12.117 1.00 35.41 ATOM 710 HE2 MET 42 -8.188 -21.071 11.465 1.00 42.24 ATOM 711 HE3 MET 42 -8.178 -19.661 10.406 1.00 74.32 ATOM 712 C MET 42 -6.938 -22.402 6.163 1.00 63.04 ATOM 713 O MET 42 -6.653 -21.277 5.752 1.00 54.15 ATOM 714 N PRO 43 -7.448 -23.348 5.360 1.00 20.35 ATOM 715 CA PRO 43 -7.709 -23.122 3.936 1.00 64.12 ATOM 716 HA PRO 43 -6.826 -22.758 3.426 1.00 2.45 ATOM 717 CB PRO 43 -8.057 -24.518 3.413 1.00 12.10 ATOM 718 HB1 PRO 43 -7.164 -24.987 3.028 1.00 37.96 ATOM 719 HB2 PRO 43 -8.801 -24.462 2.628 1.00 22.41 ATOM 720 CG PRO 43 -8.572 -25.251 4.604 1.00 41.34 ATOM 721 HG1 PRO 43 -8.389 -26.309 4.492 1.00 37.96 ATOM 722 HG2 PRO 43 -9.629 -25.063 4.723 1.00 72.22 ATOM 723 CD PRO 43 -7.810 -24.712 5.783 1.00 53.42 ATOM 724 HD1 PRO 43 -6.927 -25.307 5.967 1.00 37.96 ATOM 725 HD2 PRO 43 -8.445 -24.696 6.655 1.00 24.21 ATOM 726 C PRO 43 -8.870 -22.161 3.704 1.00 22.33 ATOM 727 O PRO 43 -10.033 -22.529 3.860 1.00 74.54 ATOM 728 N GLY 44 -8.546 -20.927 3.331 1.00 5.13 ATOM 729 HN GLY 44 -7.601 -20.678 3.219 1.00 37.96 ATOM 730 CA GLY 44 -9.573 -19.932 3.084 1.00 32.51 ATOM 731 HA1 GLY 44 -10.311 -20.338 2.404 1.00 37.96 ATOM 732 HA2 GLY 44 -9.114 -19.070 2.620 1.00 14.54 ATOM 733 C GLY 44 -10.269 -19.490 4.356 1.00 55.14 ATOM 734 O GLY 44 -11.371 -19.948 4.660 1.00 45.41 ATOM 735 N ALA 45 -9.626 -18.598 5.101 1.00 4.13 ATOM 736 HN ALA 45 -8.738 -18.277 4.814 1.00 37.96 ATOM 737 CA ALA 45 -10.190 -18.093 6.347 1.00 72.42 ATOM 738 HA ALA 45 -11.272 -18.085 6.258 1.00 72.43 ATOM 739 CB ALA 45 -9.826 -19.014 7.502 1.00 35.03 ATOM 740 HB1 ALA 45 -10.297 -18.663 8.410 1.00 71.53 ATOM 741 HB2 ALA 45 -8.753 -19.027 7.634 1.00 33.14 ATOM 742 HB3 ALA 45 -10.171 -20.014 7.284 1.00 63.12 ATOM 743 C ALA 45 -9.714 -16.673 6.630 1.00 43.32 ATOM 744 O ALA 45 -8.543 -16.349 6.429 1.00 11.15 ATOM 745 N SER 46 -10.628 -15.828 7.096 1.00 75.42 ATOM 746 HN SER 46 -11.547 -16.149 7.257 1.00 37.96 ATOM 747 CA SER 46 -10.302 -14.441 7.402 1.00 53.51 ATOM 748 HA SER 46 -9.496 -14.118 6.752 1.00 12.52 ATOM 749 CB SER 46 -11.514 -13.542 7.148 1.00 11.22 ATOM 750 HB1 SER 46 -11.774 -13.595 6.100 1.00 37.96 ATOM 751 HB2 SER 46 -11.287 -12.518 7.399 1.00 74.05 ATOM 752 OG SER 46 -12.632 -13.966 7.909 1.00 3.35 ATOM 753 HG SER 46 -13.131 -14.623 7.416 1.00 65.01 ATOM 754 C SER 46 -9.843 -14.297 8.850 1.00 64.14 ATOM 755 O SER 46 -9.678 -15.287 9.561 1.00 1.14 ATOM 756 N GLY 47 -9.637 -13.055 9.279 1.00 71.45 ATOM 757 HN GLY 47 -9.739 -12.292 8.671 1.00 37.96 ATOM 758 CA GLY 47 -9.198 -12.804 10.639 1.00 52.53 ATOM 759 HA1 GLY 47 -8.918 -11.765 10.728 1.00 37.96 ATOM 760 HA2 GLY 47 -8.334 -13.418 10.853 1.00 4.52 ATOM 761 C GLY 47 -10.275 -13.109 11.661 1.00 2.22 ATOM 762 O GLY 47 -9.980 -13.331 12.835 1.00 31.11 ATOM 763 N ALA 48 -11.527 -13.118 11.215 1.00 23.02 ATOM 764 HN ALA 48 -11.715 -12.915 10.271 1.00 37.96 ATOM 765 CA ALA 48 -12.651 -13.398 12.100 1.00 63.42 ATOM 766 HA ALA 48 -12.536 -12.804 13.000 1.00 3.43 ATOM 767 CB ALA 48 -13.958 -12.990 11.438 1.00 52.34 ATOM 768 HB1 ALA 48 -13.912 -11.944 11.171 1.00 15.43 ATOM 769 HB2 ALA 48 -14.779 -13.148 12.124 1.00 1.35 ATOM 770 HB3 ALA 48 -14.114 -13.580 10.546 1.00 34.51 ATOM 771 C ALA 48 -12.690 -14.873 12.487 1.00 0.33 ATOM 772 O ALA 48 -13.151 -15.226 13.572 1.00 71.21 ATOM 773 N GLU 49 -12.204 -15.728 11.593 1.00 21.11 ATOM 774 HN GLU 49 -11.849 -15.394 10.737 1.00 37.96 ATOM 775 CA GLU 49 -12.186 -17.165 11.843 1.00 43.45 ATOM 776 HA GLU 49 -13.085 -17.425 12.381 1.00 53.35 ATOM 777 CB GLU 49 -12.132 -17.934 10.521 1.00 52.43 ATOM 778 HB1 GLU 49 -11.606 -18.873 10.663 1.00 37.96 ATOM 779 HB2 GLU 49 -11.592 -17.348 9.791 1.00 62.21 ATOM 780 CG GLU 49 -13.502 -18.252 9.946 1.00 31.41 ATOM 781 HG1 GLU 49 -13.373 -18.679 8.962 1.00 37.96 ATOM 782 HG2 GLU 49 -14.072 -17.337 9.867 1.00 53.32 ATOM 783 CD GLU 49 -14.279 -19.235 10.801 1.00 51.31 ATOM 784 OE1 GLU 49 -14.246 -20.445 10.495 1.00 45.34 ATOM 785 OE2 GLU 49 -14.921 -18.792 11.777 1.00 62.50 ATOM 786 C GLU 49 -10.996 -17.550 12.716 1.00 25.13 ATOM 787 O GLU 49 -11.064 -18.503 13.492 1.00 24.44 ATOM 788 N VAL 50 -9.905 -16.802 12.584 1.00 63.12 ATOM 789 HN VAL 50 -9.900 -16.051 11.947 1.00 37.96 ATOM 790 CA VAL 50 -8.699 -17.064 13.361 1.00 50.03 ATOM 791 HA VAL 50 -8.483 -18.119 13.313 1.00 32.21 ATOM 792 CB VAL 50 -7.490 -16.293 12.798 1.00 13.33 ATOM 793 HB VAL 50 -7.706 -15.234 12.843 1.00 31.04 ATOM 794 CG1 VAL 50 -6.249 -16.560 13.636 1.00 32.11 ATOM 795 HG11 VAL 50 -6.104 -17.626 13.749 1.00 52.31 ATOM 796 HG12 VAL 50 -6.356 -16.106 14.609 1.00 32.53 ATOM 797 HG13 VAL 50 -5.382 -16.134 13.148 1.00 61.05 ATOM 798 CG2 VAL 50 -7.252 -16.665 11.343 1.00 65.12 ATOM 799 HG21 VAL 50 -6.598 -15.931 10.897 1.00 32.40 ATOM 800 HG22 VAL 50 -8.178 -16.688 10.795 1.00 25.22 ATOM 801 HG23 VAL 50 -6.783 -17.627 11.284 1.00 10.23 ATOM 802 C VAL 50 -8.895 -16.683 14.824 1.00 62.40 ATOM 803 O VAL 50 -8.434 -17.383 15.726 1.00 35.42 ATOM 804 N LYS 51 -9.582 -15.569 15.053 1.00 65.30 ATOM 805 HN LYS 51 -9.911 -15.036 14.291 1.00 37.96 ATOM 806 CA LYS 51 -9.841 -15.095 16.407 1.00 51.41 ATOM 807 HA LYS 51 -8.891 -14.814 16.843 1.00 41.40 ATOM 808 CB LYS 51 -10.765 -13.875 16.374 1.00 42.15 ATOM 809 HB1 LYS 51 -11.795 -14.201 16.286 1.00 37.96 ATOM 810 HB2 LYS 51 -10.517 -13.290 15.497 1.00 14.30 ATOM 811 CG LYS 51 -10.649 -12.990 17.603 1.00 61.32 ATOM 812 HG1 LYS 51 -9.650 -13.076 18.014 1.00 37.96 ATOM 813 HG2 LYS 51 -11.363 -13.323 18.344 1.00 15.20 ATOM 814 CD LYS 51 -10.901 -11.530 17.265 1.00 72.40 ATOM 815 HD1 LYS 51 -10.542 -11.306 16.268 1.00 37.96 ATOM 816 HD2 LYS 51 -10.368 -10.918 17.978 1.00 73.41 ATOM 817 CE LYS 51 -12.380 -11.186 17.350 1.00 73.21 ATOM 818 HE1 LYS 51 -12.774 -11.540 18.294 1.00 37.96 ATOM 819 HE2 LYS 51 -12.898 -11.676 16.540 1.00 40.24 ATOM 820 NZ LYS 51 -12.615 -9.719 17.255 1.00 44.31 ATOM 821 HZ1 LYS 51 -13.634 -9.519 17.316 1.00 64.42 ATOM 822 HZ2 LYS 51 -12.258 -9.352 16.348 1.00 74.31 ATOM 823 HZ3 LYS 51 -12.131 -9.223 18.033 1.00 23.11 ATOM 824 C LYS 51 -10.465 -16.195 17.259 1.00 33.00 ATOM 825 O LYS 51 -10.186 -16.304 18.452 1.00 5.31 ATOM 826 N GLY 52 -11.312 -17.011 16.637 1.00 2.54 ATOM 827 HN GLY 52 -11.525 -16.880 15.687 1.00 37.96 ATOM 828 CA GLY 52 -11.961 -18.093 17.354 1.00 1.42 ATOM 829 HA1 GLY 52 -12.747 -18.496 16.732 1.00 37.96 ATOM 830 HA2 GLY 52 -12.403 -17.710 18.265 1.00 1.33 ATOM 831 C GLY 52 -11.002 -19.212 17.706 1.00 22.40 ATOM 832 O GLY 52 -11.120 -19.832 18.763 1.00 0.24 ATOM 833 N VAL 53 -10.049 -19.475 16.817 1.00 51.11 ATOM 834 HN VAL 53 -10.001 -18.941 15.994 1.00 37.96 ATOM 835 CA VAL 53 -9.066 -20.528 17.038 1.00 22.44 ATOM 836 HA VAL 53 -9.589 -21.474 17.046 1.00 34.11 ATOM 837 CB VAL 53 -8.016 -20.562 15.912 1.00 2.00 ATOM 838 HB VAL 53 -7.505 -19.612 15.887 1.00 21.44 ATOM 839 CG1 VAL 53 -6.981 -21.645 16.178 1.00 35.02 ATOM 840 HG11 VAL 53 -6.441 -21.432 17.087 1.00 41.10 ATOM 841 HG12 VAL 53 -6.277 -21.677 15.359 1.00 21.44 ATOM 842 HG13 VAL 53 -7.471 -22.605 16.266 1.00 54.41 ATOM 843 CG2 VAL 53 -8.688 -20.775 14.564 1.00 42.30 ATOM 844 HG21 VAL 53 -9.314 -21.656 14.601 1.00 74.14 ATOM 845 HG22 VAL 53 -7.934 -20.909 13.806 1.00 60.40 ATOM 846 HG23 VAL 53 -9.287 -19.919 14.317 1.00 12.45 ATOM 847 C VAL 53 -8.356 -20.345 18.375 1.00 63.11 ATOM 848 O VAL 53 -8.322 -21.257 19.202 1.00 73.21 ATOM 849 N CYS 54 -7.790 -19.161 18.580 1.00 23.11 ATOM 850 HN CYS 54 -7.856 -18.469 17.878 1.00 37.96 ATOM 851 CA CYS 54 -7.079 -18.857 19.817 1.00 31.43 ATOM 852 HA CYS 54 -6.268 -19.569 19.909 1.00 13.04 ATOM 853 CB CYS 54 -6.513 -17.437 19.769 1.00 33.45 ATOM 854 HB1 CYS 54 -7.204 -16.741 20.229 1.00 37.96 ATOM 855 HB2 CYS 54 -6.365 -17.146 18.738 1.00 24.11 ATOM 856 SG CYS 54 -4.917 -17.251 20.598 1.00 40.52 ATOM 857 HG CYS 54 -5.099 -16.497 21.672 1.00 13.32 ATOM 858 C CYS 54 -7.999 -19.011 21.024 1.00 22.13 ATOM 859 O CYS 54 -7.643 -19.655 22.012 1.00 14.11 ATOM 860 N THR 55 -9.184 -18.414 20.939 1.00 44.00 ATOM 861 HN THR 55 -9.414 -17.908 20.123 1.00 37.96 ATOM 862 CA THR 55 -10.154 -18.482 22.025 1.00 45.34 ATOM 863 HA THR 55 -9.700 -18.043 22.906 1.00 44.43 ATOM 864 CB THR 55 -11.430 -17.688 21.688 1.00 42.30 ATOM 865 HB THR 55 -11.960 -18.194 20.890 1.00 64.04 ATOM 866 OG1 THR 55 -11.085 -16.370 21.247 1.00 1.32 ATOM 867 HG1 THR 55 -11.788 -16.020 20.693 1.00 10.11 ATOM 868 CG2 THR 55 -12.347 -17.599 22.898 1.00 31.33 ATOM 869 HG21 THR 55 -11.801 -17.206 23.745 1.00 54.01 ATOM 870 HG22 THR 55 -12.732 -18.578 23.139 1.00 43.52 ATOM 871 HG23 THR 55 -13.172 -16.940 22.671 1.00 30.12 ATOM 872 C THR 55 -10.533 -19.925 22.333 1.00 34.42 ATOM 873 O THR 55 -10.795 -20.275 23.484 1.00 64.14 ATOM 874 N GLU 56 -10.561 -20.759 21.298 1.00 35.43 ATOM 875 HN GLU 56 -10.351 -20.426 20.394 1.00 37.96 ATOM 876 CA GLU 56 -10.910 -22.166 21.461 1.00 40.12 ATOM 877 HA GLU 56 -11.774 -22.227 22.102 1.00 5.11 ATOM 878 CB GLU 56 -11.229 -22.795 20.103 1.00 21.41 ATOM 879 HB1 GLU 56 -11.135 -23.873 20.158 1.00 37.96 ATOM 880 HB2 GLU 56 -10.529 -22.412 19.387 1.00 74.54 ATOM 881 CG GLU 56 -12.622 -22.467 19.592 1.00 23.32 ATOM 882 HG1 GLU 56 -12.789 -23.004 18.670 1.00 37.96 ATOM 883 HG2 GLU 56 -12.690 -21.410 19.408 1.00 33.45 ATOM 884 CD GLU 56 -13.709 -22.849 20.577 1.00 14.13 ATOM 885 OE1 GLU 56 -13.563 -23.893 21.247 1.00 4.22 ATOM 886 OE2 GLU 56 -14.707 -22.105 20.678 1.00 1.34 ATOM 887 C GLU 56 -9.776 -22.933 22.136 1.00 53.24 ATOM 888 O GLU 56 -10.010 -23.759 23.017 1.00 33.01 ATOM 889 N ALA 57 -8.547 -22.653 21.714 1.00 14.10 ATOM 890 HN ALA 57 -8.420 -21.992 20.992 1.00 37.96 ATOM 891 CA ALA 57 -7.377 -23.314 22.278 1.00 72.43 ATOM 892 HA ALA 57 -7.449 -24.371 22.058 1.00 3.41 ATOM 893 CB ALA 57 -6.107 -22.784 21.628 1.00 35.52 ATOM 894 HB1 ALA 57 -5.278 -23.419 21.896 1.00 1.32 ATOM 895 HB2 ALA 57 -5.913 -21.773 21.961 1.00 72.05 ATOM 896 HB3 ALA 57 -6.226 -22.789 20.554 1.00 21.13 ATOM 897 C ALA 57 -7.317 -23.129 23.790 1.00 32.11 ATOM 898 O ALA 57 -6.911 -24.032 24.520 1.00 33.23 ATOM 899 N GLY 58 -7.724 -21.951 24.254 1.00 24.22 ATOM 900 HN GLY 58 -8.026 -21.249 23.636 1.00 37.96 ATOM 901 CA GLY 58 -7.707 -21.669 25.678 1.00 50.14 ATOM 902 HA1 GLY 58 -7.850 -20.608 25.820 1.00 37.96 ATOM 903 HA2 GLY 58 -6.745 -21.947 26.092 1.00 63.42 ATOM 904 C GLY 58 -8.797 -22.408 26.428 1.00 52.20 ATOM 905 O GLY 58 -8.662 -22.685 27.619 1.00 5.44 ATOM 906 N MET 59 -9.882 -22.727 25.730 1.00 52.41 ATOM 907 HN MET 59 -9.948 -22.466 24.787 1.00 37.96 ATOM 908 CA MET 59 -11.001 -23.438 26.339 1.00 45.44 ATOM 909 HA MET 59 -11.274 -22.922 27.247 1.00 62.05 ATOM 910 CB MET 59 -12.202 -23.449 25.391 1.00 1.44 ATOM 911 HB1 MET 59 -13.019 -23.978 25.865 1.00 37.96 ATOM 912 HB2 MET 59 -11.926 -23.982 24.491 1.00 70.12 ATOM 913 CG MET 59 -12.668 -22.060 24.985 1.00 35.15 ATOM 914 HG1 MET 59 -12.872 -22.060 23.927 1.00 37.96 ATOM 915 HG2 MET 59 -11.900 -21.336 25.201 1.00 43.10 ATOM 916 SD MET 59 -14.165 -21.550 25.851 1.00 14.43 ATOM 917 CE MET 59 -13.678 -21.812 27.555 1.00 64.14 ATOM 918 HE1 MET 59 -14.442 -21.423 28.211 1.00 5.12 ATOM 919 HE2 MET 59 -12.746 -21.302 27.746 1.00 61.55 ATOM 920 HE3 MET 59 -13.553 -22.869 27.736 1.00 71.12 ATOM 921 C MET 59 -10.606 -24.867 26.695 1.00 33.43 ATOM 922 O MET 59 -10.870 -25.336 27.803 1.00 75.44 ATOM 923 N TYR 60 -9.974 -25.555 25.751 1.00 42.21 ATOM 924 HN TYR 60 -9.793 -25.127 24.880 1.00 37.96 ATOM 925 CA TYR 60 -9.546 -26.932 25.965 1.00 21.11 ATOM 926 HA TYR 60 -10.420 -27.522 26.206 1.00 51.24 ATOM 927 CB TYR 60 -8.908 -27.494 24.694 1.00 44.45 ATOM 928 HB1 TYR 60 -8.477 -28.466 24.909 1.00 37.96 ATOM 929 HB2 TYR 60 -8.118 -26.827 24.376 1.00 34.12 ATOM 930 CG TYR 60 -9.884 -27.669 23.552 1.00 1.34 ATOM 931 CD1 TYR 60 -9.838 -26.838 22.439 1.00 22.23 ATOM 932 HD1 TYR 60 -9.091 -26.057 22.392 1.00 41.44 ATOM 933 CD2 TYR 60 -10.853 -28.664 23.587 1.00 0.34 ATOM 934 HD2 TYR 60 -10.906 -29.321 24.445 1.00 13.41 ATOM 935 CE1 TYR 60 -10.728 -26.994 21.395 1.00 52.25 ATOM 936 HE1 TYR 60 -10.676 -26.338 20.539 1.00 4.55 ATOM 937 CE2 TYR 60 -11.746 -28.828 22.547 1.00 54.44 ATOM 938 HE2 TYR 60 -12.491 -29.608 22.593 1.00 32.41 ATOM 939 CZ TYR 60 -11.680 -27.990 21.453 1.00 72.24 ATOM 940 OH TYR 60 -12.569 -28.149 20.414 1.00 33.45 ATOM 941 HH TYR 60 -12.120 -28.533 19.655 1.00 24.45 ATOM 942 C TYR 60 -8.559 -27.022 27.125 1.00 12.13 ATOM 943 O TYR 60 -8.587 -27.973 27.906 1.00 0.52 ATOM 944 N ALA 61 -7.688 -26.024 27.231 1.00 11.20 ATOM 945 HN ALA 61 -7.704 -25.290 26.572 1.00 37.96 ATOM 946 CA ALA 61 -6.694 -25.987 28.296 1.00 21.23 ATOM 947 HA ALA 61 -6.215 -26.958 28.352 1.00 12.41 ATOM 948 CB ALA 61 -5.619 -24.957 27.980 1.00 33.53 ATOM 949 HB1 ALA 61 -4.857 -24.979 28.747 1.00 64.43 ATOM 950 HB2 ALA 61 -6.060 -23.971 27.938 1.00 10.42 ATOM 951 HB3 ALA 61 -5.172 -25.189 27.025 1.00 64.43 ATOM 952 C ALA 61 -7.342 -25.682 29.642 1.00 15.32 ATOM 953 O ALA 61 -7.001 -26.287 30.659 1.00 4.43 ATOM 954 N LEU 62 -8.279 -24.740 29.642 1.00 51.21 ATOM 955 HN LEU 62 -8.504 -24.279 28.799 1.00 37.96 ATOM 956 CA LEU 62 -8.976 -24.353 30.864 1.00 62.10 ATOM 957 HA LEU 62 -8.239 -23.998 31.573 1.00 51.15 ATOM 958 CB LEU 62 -9.973 -23.231 30.573 1.00 52.45 ATOM 959 HB1 LEU 62 -10.760 -23.254 31.322 1.00 37.96 ATOM 960 HB2 LEU 62 -10.430 -23.445 29.613 1.00 11.23 ATOM 961 CG LEU 62 -9.397 -21.815 30.532 1.00 12.33 ATOM 962 HG LEU 62 -8.427 -21.835 30.053 1.00 4.33 ATOM 963 CD1 LEU 62 -10.296 -20.896 29.719 1.00 1.23 ATOM 964 HD11 LEU 62 -11.272 -20.838 30.181 1.00 44.22 ATOM 965 HD12 LEU 62 -10.397 -21.283 28.715 1.00 15.04 ATOM 966 HD13 LEU 62 -9.860 -19.907 29.676 1.00 54.00 ATOM 967 CD2 LEU 62 -9.214 -21.273 31.943 1.00 62.34 ATOM 968 HD21 LEU 62 -10.172 -21.227 32.444 1.00 64.14 ATOM 969 HD22 LEU 62 -8.784 -20.282 31.898 1.00 54.40 ATOM 970 HD23 LEU 62 -8.551 -21.922 32.497 1.00 3.52 ATOM 971 C LEU 62 -9.701 -25.546 31.478 1.00 22.32 ATOM 972 O LEU 62 -9.530 -25.848 32.659 1.00 22.34 ATOM 973 N ARG 63 -10.509 -26.222 30.668 1.00 30.10 ATOM 974 HN ARG 63 -10.604 -25.931 29.729 1.00 37.96 ATOM 975 CA ARG 63 -11.259 -27.383 31.132 1.00 72.15 ATOM 976 HA ARG 63 -11.922 -27.061 31.923 1.00 53.14 ATOM 977 CB ARG 63 -12.097 -27.964 29.991 1.00 61.20 ATOM 978 HB1 ARG 63 -12.720 -27.180 29.585 1.00 37.96 ATOM 979 HB2 ARG 63 -12.733 -28.742 30.395 1.00 25.21 ATOM 980 CG ARG 63 -11.265 -28.545 28.859 1.00 51.41 ATOM 981 HG1 ARG 63 -10.438 -29.119 29.240 1.00 37.96 ATOM 982 HG2 ARG 63 -10.897 -27.730 28.274 1.00 0.33 ATOM 983 CD ARG 63 -12.100 -29.438 27.955 1.00 34.24 ATOM 984 HD1 ARG 63 -11.685 -29.397 26.958 1.00 37.96 ATOM 985 HD2 ARG 63 -13.117 -29.065 27.930 1.00 43.53 ATOM 986 NE ARG 63 -12.098 -30.827 28.406 1.00 63.53 ATOM 987 HE ARG 63 -11.405 -31.102 29.052 1.00 74.13 ATOM 988 CZ ARG 63 -12.972 -31.737 27.989 1.00 45.13 ATOM 989 NH1 ARG 63 -13.913 -31.405 27.116 1.00 61.21 ATOM 990 HH11 ARG 63 -13.987 -30.480 26.752 1.00 13.40 ATOM 991 HH12 ARG 63 -14.569 -32.099 26.811 1.00 70.34 ATOM 992 NH2 ARG 63 -12.904 -32.981 28.444 1.00 34.24 ATOM 993 HH21 ARG 63 -12.194 -33.238 29.103 1.00 21.02 ATOM 994 HH22 ARG 63 -13.562 -33.669 28.131 1.00 14.32 ATOM 995 C ARG 63 -10.320 -28.452 31.683 1.00 35.13 ATOM 996 O ARG 63 -10.713 -29.263 32.521 1.00 31.13 ATOM 997 N GLU 64 -9.080 -28.446 31.206 1.00 24.14 ATOM 998 HN GLU 64 -8.822 -27.811 30.505 1.00 37.96 ATOM 999 CA GLU 64 -8.086 -29.416 31.651 1.00 32.45 ATOM 1000 HA GLU 64 -8.596 -30.305 32.009 1.00 75.23 ATOM 1001 CB GLU 64 -7.172 -29.812 30.491 1.00 65.25 ATOM 1002 HB1 GLU 64 -6.290 -30.303 30.888 1.00 37.96 ATOM 1003 HB2 GLU 64 -6.867 -28.919 29.965 1.00 24.01 ATOM 1004 CG GLU 64 -7.827 -30.751 29.492 1.00 54.23 ATOM 1005 HG1 GLU 64 -8.489 -30.184 28.859 1.00 37.96 ATOM 1006 HG2 GLU 64 -8.399 -31.497 30.028 1.00 45.12 ATOM 1007 CD GLU 64 -6.818 -31.470 28.618 1.00 54.05 ATOM 1008 OE1 GLU 64 -5.615 -31.149 28.714 1.00 32.35 ATOM 1009 OE2 GLU 64 -7.231 -32.353 27.837 1.00 53.31 ATOM 1010 C GLU 64 -7.254 -28.855 32.801 1.00 42.35 ATOM 1011 O GLU 64 -6.170 -29.356 33.099 1.00 61.42 ATOM 1012 N ARG 65 -7.769 -27.810 33.441 1.00 63.21 ATOM 1013 HN ARG 65 -8.628 -27.437 33.188 1.00 37.96 ATOM 1014 CA ARG 65 -7.073 -27.179 34.556 1.00 40.43 ATOM 1015 HA ARG 65 -7.601 -26.271 34.805 1.00 60.43 ATOM 1016 CB ARG 65 -7.072 -28.104 35.774 1.00 14.31 ATOM 1017 HB1 ARG 65 -6.687 -27.563 36.628 1.00 37.96 ATOM 1018 HB2 ARG 65 -6.423 -28.948 35.575 1.00 14.13 ATOM 1019 CG ARG 65 -8.447 -28.651 36.124 1.00 4.32 ATOM 1020 HG1 ARG 65 -8.325 -29.422 36.872 1.00 37.96 ATOM 1021 HG2 ARG 65 -8.906 -29.079 35.245 1.00 14.11 ATOM 1022 CD ARG 65 -9.354 -27.564 36.679 1.00 1.12 ATOM 1023 HD1 ARG 65 -9.863 -27.093 35.851 1.00 37.96 ATOM 1024 HD2 ARG 65 -8.764 -26.818 37.201 1.00 34.22 ATOM 1025 NE ARG 65 -10.357 -28.103 37.594 1.00 2.51 ATOM 1026 HE ARG 65 -11.285 -28.140 37.274 1.00 42.02 ATOM 1027 CZ ARG 65 -10.077 -28.538 38.817 1.00 30.33 ATOM 1028 NH1 ARG 65 -8.832 -28.499 39.270 1.00 5.41 ATOM 1029 HH11 ARG 65 -8.083 -28.146 38.718 1.00 62.31 ATOM 1030 HH12 ARG 65 -8.634 -28.833 40.194 1.00 23.31 ATOM 1031 NH2 ARG 65 -11.044 -29.014 39.591 1.00 74.53 ATOM 1032 HH21 ARG 65 -11.988 -29.047 39.255 1.00 44.31 ATOM 1033 HH22 ARG 65 -10.835 -29.343 40.514 1.00 61.31 ATOM 1034 C ARG 65 -5.639 -26.825 34.171 1.00 13.15 ATOM 1035 O ARG 65 -4.720 -26.951 34.981 1.00 71.53 ATOM 1036 N ARG 66 -5.456 -26.382 32.932 1.00 55.30 ATOM 1037 HN ARG 66 -6.225 -26.272 32.329 1.00 37.96 ATOM 1038 CA ARG 66 -4.135 -26.012 32.440 1.00 1.50 ATOM 1039 HA ARG 66 -3.390 -26.272 33.186 1.00 2.53 ATOM 1040 CB ARG 66 -3.817 -26.769 31.150 1.00 61.23 ATOM 1041 HB1 ARG 66 -3.010 -26.257 30.634 1.00 37.96 ATOM 1042 HB2 ARG 66 -4.686 -26.768 30.514 1.00 11.34 ATOM 1043 CG ARG 66 -3.398 -28.212 31.378 1.00 32.42 ATOM 1044 HG1 ARG 66 -4.283 -28.829 31.429 1.00 37.96 ATOM 1045 HG2 ARG 66 -2.851 -28.289 32.309 1.00 2.24 ATOM 1046 CD ARG 66 -2.508 -28.719 30.254 1.00 11.11 ATOM 1047 HD1 ARG 66 -2.021 -29.623 30.592 1.00 37.96 ATOM 1048 HD2 ARG 66 -1.756 -27.976 30.023 1.00 2.31 ATOM 1049 NE ARG 66 -3.270 -29.018 29.045 1.00 74.30 ATOM 1050 HE ARG 66 -4.228 -28.786 29.034 1.00 25.10 ATOM 1051 CZ ARG 66 -2.742 -29.581 27.964 1.00 52.34 ATOM 1052 NH1 ARG 66 -1.456 -29.903 27.941 1.00 34.31 ATOM 1053 HH11 ARG 66 -0.863 -29.731 28.726 1.00 43.41 ATOM 1054 HH12 ARG 66 -1.066 -30.328 27.121 1.00 54.20 ATOM 1055 NH2 ARG 66 -3.501 -29.822 26.902 1.00 2.10 ATOM 1056 HH21 ARG 66 -4.473 -29.580 26.913 1.00 24.35 ATOM 1057 HH22 ARG 66 -3.105 -30.246 26.085 1.00 55.12 ATOM 1058 C ARG 66 -4.048 -24.508 32.194 1.00 22.03 ATOM 1059 O ARG 66 -5.050 -23.858 31.898 1.00 12.54 ATOM 1060 N VAL 67 -2.842 -23.962 32.320 1.00 53.03 ATOM 1061 HN VAL 67 -2.079 -24.525 32.586 1.00 37.96 ATOM 1062 CA VAL 67 -2.624 -22.536 32.111 1.00 43.41 ATOM 1063 HA VAL 67 -3.583 -22.036 32.018 1.00 54.13 ATOM 1064 CB VAL 67 -1.876 -21.902 33.300 1.00 73.55 ATOM 1065 HB VAL 67 -0.895 -22.353 33.371 1.00 35.31 ATOM 1066 CG1 VAL 67 -1.697 -20.408 33.082 1.00 2.35 ATOM 1067 HG11 VAL 67 -1.341 -19.946 33.995 1.00 12.31 ATOM 1068 HG12 VAL 67 -2.639 -19.958 32.802 1.00 2.41 ATOM 1069 HG13 VAL 67 -0.982 -20.242 32.312 1.00 12.11 ATOM 1070 CG2 VAL 67 -2.616 -22.176 34.600 1.00 14.42 ATOM 1071 HG21 VAL 67 -2.678 -23.242 34.767 1.00 31.04 ATOM 1072 HG22 VAL 67 -3.613 -21.762 34.546 1.00 41.22 ATOM 1073 HG23 VAL 67 -2.084 -21.719 35.424 1.00 55.32 ATOM 1074 C VAL 67 -1.831 -22.282 30.833 1.00 33.43 ATOM 1075 O VAL 67 -1.913 -21.205 30.242 1.00 32.13 ATOM 1076 N HIS 68 -1.064 -23.282 30.411 1.00 30.53 ATOM 1077 HN HIS 68 -1.053 -24.127 30.899 1.00 37.96 ATOM 1078 CA HIS 68 -0.257 -23.169 29.202 1.00 44.21 ATOM 1079 HA HIS 68 -0.182 -22.130 28.930 1.00 44.21 ATOM 1080 CB HIS 68 1.157 -23.693 29.456 1.00 41.40 ATOM 1081 HB1 HIS 68 1.671 -23.001 30.107 1.00 37.96 ATOM 1082 HB2 HIS 68 1.697 -23.761 28.521 1.00 4.42 ATOM 1083 CG HIS 68 1.188 -25.040 30.109 1.00 62.34 ATOM 1084 ND1 HIS 68 1.219 -25.214 31.476 1.00 14.32 ATOM 1085 HD1 HIS 68 1.225 -24.497 32.144 1.00 45.01 ATOM 1086 CD2 HIS 68 1.192 -26.283 29.573 1.00 33.41 ATOM 1087 HD2 HIS 68 1.173 -26.527 28.520 1.00 4.13 ATOM 1088 CE1 HIS 68 1.241 -26.505 31.754 1.00 62.13 ATOM 1089 HE1 HIS 68 1.266 -26.938 32.743 1.00 72.21 ATOM 1090 NE2 HIS 68 1.225 -27.176 30.616 1.00 21.10 ATOM 1091 HE2 HIS 68 1.331 -28.147 30.531 1.00 37.96 ATOM 1092 C HIS 68 -0.896 -23.935 28.048 1.00 50.02 ATOM 1093 O HIS 68 -1.237 -25.110 28.183 1.00 64.34 ATOM 1094 N VAL 69 -1.057 -23.261 26.913 1.00 22.03 ATOM 1095 HN VAL 69 -0.753 -22.324 26.855 1.00 37.96 ATOM 1096 CA VAL 69 -1.655 -23.878 25.736 1.00 60.34 ATOM 1097 HA VAL 69 -2.347 -24.649 26.069 1.00 50.21 ATOM 1098 CB VAL 69 -2.456 -22.854 24.911 1.00 50.44 ATOM 1099 HB VAL 69 -1.767 -22.151 24.464 1.00 44.53 ATOM 1100 CG1 VAL 69 -3.215 -23.547 23.790 1.00 54.13 ATOM 1101 HG11 VAL 69 -3.891 -24.279 24.207 1.00 14.44 ATOM 1102 HG12 VAL 69 -2.525 -24.034 23.118 1.00 52.25 ATOM 1103 HG13 VAL 69 -3.781 -22.812 23.238 1.00 55.22 ATOM 1104 CG2 VAL 69 -3.406 -22.074 25.807 1.00 33.41 ATOM 1105 HG21 VAL 69 -4.003 -21.404 25.208 1.00 42.33 ATOM 1106 HG22 VAL 69 -2.840 -21.497 26.523 1.00 5.15 ATOM 1107 HG23 VAL 69 -4.057 -22.759 26.332 1.00 41.53 ATOM 1108 C VAL 69 -0.591 -24.510 24.846 1.00 65.22 ATOM 1109 O VAL 69 0.446 -23.904 24.571 1.00 55.21 ATOM 1110 N THR 70 -0.852 -25.734 24.397 1.00 54.24 ATOM 1111 HN THR 70 -1.704 -26.166 24.635 1.00 37.96 ATOM 1112 CA THR 70 0.083 -26.449 23.538 1.00 71.20 ATOM 1113 HA THR 70 1.069 -26.028 23.660 1.00 40.35 ATOM 1114 CB THR 70 0.160 -27.941 23.912 1.00 24.41 ATOM 1115 HB THR 70 0.956 -28.401 23.343 1.00 62.42 ATOM 1116 OG1 THR 70 -1.076 -28.591 23.596 1.00 51.41 ATOM 1117 HG1 THR 70 -1.800 -28.244 24.131 1.00 65.12 ATOM 1118 CG2 THR 70 0.465 -28.113 25.393 1.00 50.13 ATOM 1119 HG21 THR 70 1.392 -27.613 25.636 1.00 73.55 ATOM 1120 HG22 THR 70 0.558 -29.165 25.618 1.00 34.23 ATOM 1121 HG23 THR 70 -0.337 -27.691 25.981 1.00 43.34 ATOM 1122 C THR 70 -0.312 -26.325 22.071 1.00 50.31 ATOM 1123 O THR 70 -1.462 -26.023 21.752 1.00 3.34 ATOM 1124 N GLN 71 0.648 -26.560 21.182 1.00 20.04 ATOM 1125 HN GLN 71 1.553 -26.794 21.501 1.00 37.96 ATOM 1126 CA GLN 71 0.399 -26.474 19.748 1.00 12.23 ATOM 1127 HA GLN 71 0.200 -25.440 19.506 1.00 3.53 ATOM 1128 CB GLN 71 1.629 -26.937 18.967 1.00 64.03 ATOM 1129 HB1 GLN 71 1.944 -27.894 19.358 1.00 37.96 ATOM 1130 HB2 GLN 71 2.418 -26.229 19.108 1.00 53.22 ATOM 1131 CG GLN 71 1.381 -27.090 17.475 1.00 75.21 ATOM 1132 HG1 GLN 71 1.118 -26.126 17.070 1.00 37.96 ATOM 1133 HG2 GLN 71 0.575 -27.786 17.307 1.00 52.01 ATOM 1134 CD GLN 71 2.597 -27.604 16.730 1.00 51.30 ATOM 1135 OE1 GLN 71 3.683 -27.721 17.298 1.00 43.43 ATOM 1136 NE2 GLN 71 2.421 -27.914 15.451 1.00 53.01 ATOM 1137 HE21 GLN 71 1.536 -27.785 15.060 1.00 63.11 ATOM 1138 HE22 GLN 71 3.189 -28.261 14.951 1.00 31.43 ATOM 1139 C GLN 71 -0.813 -27.312 19.355 1.00 11.01 ATOM 1140 O GLN 71 -1.615 -26.904 18.516 1.00 14.32 ATOM 1141 N GLU 72 -0.939 -28.486 19.967 1.00 44.43 ATOM 1142 HN GLU 72 -0.255 -28.767 20.619 1.00 37.96 ATOM 1143 CA GLU 72 -2.053 -29.381 19.679 1.00 63.25 ATOM 1144 HA GLU 72 -1.968 -29.675 18.653 1.00 12.12 ATOM 1145 CB GLU 72 -1.977 -30.627 20.564 1.00 43.03 ATOM 1146 HB1 GLU 72 -2.759 -30.585 21.312 1.00 37.96 ATOM 1147 HB2 GLU 72 -1.022 -30.647 21.074 1.00 23.02 ATOM 1148 CG GLU 72 -2.103 -31.930 19.793 1.00 73.14 ATOM 1149 HG1 GLU 72 -1.124 -32.216 19.436 1.00 37.96 ATOM 1150 HG2 GLU 72 -2.765 -31.787 18.948 1.00 32.22 ATOM 1151 CD GLU 72 -2.657 -33.059 20.641 1.00 43.41 ATOM 1152 OE1 GLU 72 -3.602 -32.807 21.418 1.00 24.31 ATOM 1153 OE2 GLU 72 -2.145 -34.192 20.528 1.00 33.13 ATOM 1154 C GLU 72 -3.388 -28.674 19.891 1.00 52.14 ATOM 1155 O GLU 72 -4.313 -28.817 19.090 1.00 23.43 ATOM 1156 N ASP 73 -3.481 -27.911 20.974 1.00 32.01 ATOM 1157 HN ASP 73 -2.711 -27.844 21.588 1.00 37.96 ATOM 1158 CA ASP 73 -4.703 -27.181 21.292 1.00 4.43 ATOM 1159 HA ASP 73 -5.513 -27.895 21.358 1.00 43.35 ATOM 1160 CB ASP 73 -4.549 -26.443 22.623 1.00 1.32 ATOM 1161 HB1 ASP 73 -5.113 -25.518 22.601 1.00 37.96 ATOM 1162 HB2 ASP 73 -3.515 -26.212 22.800 1.00 71.43 ATOM 1163 CG ASP 73 -5.053 -27.257 23.798 1.00 15.12 ATOM 1164 OD1 ASP 73 -5.147 -26.697 24.910 1.00 34.45 ATOM 1165 OD2 ASP 73 -5.354 -28.454 23.606 1.00 63.02 ATOM 1166 C ASP 73 -5.048 -26.190 20.184 1.00 21.44 ATOM 1167 O ASP 73 -6.220 -25.957 19.889 1.00 71.41 ATOM 1168 N PHE 74 -4.019 -25.609 19.575 1.00 34.44 ATOM 1169 HN PHE 74 -3.100 -25.822 19.859 1.00 37.96 ATOM 1170 CA PHE 74 -4.214 -24.642 18.501 1.00 22.44 ATOM 1171 HA PHE 74 -4.925 -23.896 18.841 1.00 45.03 ATOM 1172 CB PHE 74 -2.890 -23.957 18.158 1.00 63.25 ATOM 1173 HB1 PHE 74 -2.911 -23.624 17.144 1.00 37.96 ATOM 1174 HB2 PHE 74 -2.082 -24.661 18.264 1.00 2.14 ATOM 1175 CG PHE 74 -2.591 -22.764 19.020 1.00 65.14 ATOM 1176 CD1 PHE 74 -1.746 -22.877 20.113 1.00 54.24 ATOM 1177 HD1 PHE 74 -1.299 -23.834 20.347 1.00 43.14 ATOM 1178 CD2 PHE 74 -3.153 -21.530 18.737 1.00 41.14 ATOM 1179 HD2 PHE 74 -3.814 -21.426 17.887 1.00 0.42 ATOM 1180 CE1 PHE 74 -1.470 -21.781 20.908 1.00 52.32 ATOM 1181 HE1 PHE 74 -0.822 -21.896 21.753 1.00 33.45 ATOM 1182 CE2 PHE 74 -2.880 -20.430 19.528 1.00 10.01 ATOM 1183 HE2 PHE 74 -3.324 -19.473 19.296 1.00 43.33 ATOM 1184 CZ PHE 74 -2.037 -20.556 20.614 1.00 3.55 ATOM 1185 HZ PHE 74 -1.833 -19.698 21.231 1.00 3.25 ATOM 1186 C PHE 74 -4.788 -25.317 17.259 1.00 22.41 ATOM 1187 O PHE 74 -5.832 -24.915 16.749 1.00 54.45 ATOM 1188 N GLU 75 -4.096 -26.346 16.779 1.00 40.13 ATOM 1189 HN GLU 75 -3.251 -26.590 17.219 1.00 37.96 ATOM 1190 CA GLU 75 -4.536 -27.076 15.596 1.00 52.25 ATOM 1191 HA GLU 75 -4.582 -26.380 14.769 1.00 12.24 ATOM 1192 CB GLU 75 -3.538 -28.183 15.252 1.00 71.53 ATOM 1193 HB1 GLU 75 -2.619 -27.741 14.917 1.00 37.96 ATOM 1194 HB2 GLU 75 -3.942 -28.781 14.444 1.00 22.52 ATOM 1195 CG GLU 75 -3.224 -29.104 16.419 1.00 1.54 ATOM 1196 HG1 GLU 75 -4.142 -29.506 16.808 1.00 37.96 ATOM 1197 HG2 GLU 75 -2.727 -28.541 17.176 1.00 70.42 ATOM 1198 CD GLU 75 -2.339 -30.269 16.022 1.00 73.30 ATOM 1199 OE1 GLU 75 -2.859 -31.399 15.912 1.00 35.00 ATOM 1200 OE2 GLU 75 -1.126 -30.051 15.821 1.00 52.14 ATOM 1201 C GLU 75 -5.923 -27.675 15.810 1.00 12.44 ATOM 1202 O GLU 75 -6.741 -27.718 14.892 1.00 51.31 ATOM 1203 N MET 76 -6.180 -28.136 17.030 1.00 4.11 ATOM 1204 HN MET 76 -5.486 -28.081 17.727 1.00 37.96 ATOM 1205 CA MET 76 -7.467 -28.732 17.366 1.00 15.23 ATOM 1206 HA MET 76 -7.646 -29.538 16.669 1.00 21.20 ATOM 1207 CB MET 76 -7.446 -29.271 18.798 1.00 61.33 ATOM 1208 HB1 MET 76 -8.410 -29.119 19.264 1.00 37.96 ATOM 1209 HB2 MET 76 -6.713 -28.724 19.372 1.00 5.34 ATOM 1210 CG MET 76 -7.099 -30.749 18.885 1.00 13.32 ATOM 1211 HG1 MET 76 -6.973 -31.012 19.925 1.00 37.96 ATOM 1212 HG2 MET 76 -6.172 -30.925 18.358 1.00 21.53 ATOM 1213 SD MET 76 -8.377 -31.805 18.175 1.00 4.12 ATOM 1214 CE MET 76 -9.780 -31.377 19.203 1.00 24.53 ATOM 1215 HE1 MET 76 -10.560 -32.113 19.071 1.00 0.13 ATOM 1216 HE2 MET 76 -10.153 -30.405 18.917 1.00 34.41 ATOM 1217 HE3 MET 76 -9.475 -31.356 20.239 1.00 31.15 ATOM 1218 C MET 76 -8.594 -27.715 17.210 1.00 31.35 ATOM 1219 O MET 76 -9.633 -28.012 16.621 1.00 1.23 ATOM 1220 N ALA 77 -8.381 -26.516 17.743 1.00 70.33 ATOM 1221 HN ALA 77 -7.531 -26.339 18.213 1.00 37.96 ATOM 1222 CA ALA 77 -9.378 -25.456 17.661 1.00 60.12 ATOM 1223 HA ALA 77 -10.274 -25.796 18.163 1.00 61.12 ATOM 1224 CB ALA 77 -8.883 -24.209 18.379 1.00 62.50 ATOM 1225 HB1 ALA 77 -7.838 -24.051 18.150 1.00 5.41 ATOM 1226 HB2 ALA 77 -9.001 -24.337 19.444 1.00 11.04 ATOM 1227 HB3 ALA 77 -9.449 -23.352 18.057 1.00 44.34 ATOM 1228 C ALA 77 -9.718 -25.133 16.210 1.00 71.22 ATOM 1229 O ALA 77 -10.878 -24.898 15.871 1.00 71.30 ATOM 1230 N VAL 78 -8.699 -25.122 15.356 1.00 31.33 ATOM 1231 HN VAL 78 -7.796 -25.332 15.684 1.00 37.96 ATOM 1232 CA VAL 78 -8.890 -24.828 13.941 1.00 33.31 ATOM 1233 HA VAL 78 -9.297 -23.827 13.857 1.00 45.00 ATOM 1234 CB VAL 78 -7.557 -24.877 13.172 1.00 25.34 ATOM 1235 HB VAL 78 -7.140 -25.870 13.270 1.00 42.41 ATOM 1236 CG1 VAL 78 -7.782 -24.600 11.694 1.00 63.32 ATOM 1237 HG11 VAL 78 -8.287 -25.435 11.233 1.00 32.13 ATOM 1238 HG12 VAL 78 -6.826 -24.462 11.215 1.00 75.01 ATOM 1239 HG13 VAL 78 -8.375 -23.704 11.570 1.00 61.02 ATOM 1240 CG2 VAL 78 -6.565 -23.887 13.764 1.00 64.22 ATOM 1241 HG21 VAL 78 -6.950 -22.883 13.654 1.00 43.40 ATOM 1242 HG22 VAL 78 -5.622 -23.965 13.242 1.00 33.13 ATOM 1243 HG23 VAL 78 -6.407 -24.093 14.798 1.00 14.11 ATOM 1244 C VAL 78 -9.868 -25.809 13.303 1.00 12.24 ATOM 1245 O VAL 78 -10.807 -25.407 12.617 1.00 13.12 ATOM 1246 N ALA 79 -9.641 -27.098 13.535 1.00 11.43 ATOM 1247 HN ALA 79 -8.867 -27.360 14.090 1.00 37.96 ATOM 1248 CA ALA 79 -10.504 -28.136 12.986 1.00 64.23 ATOM 1249 HA ALA 79 -10.484 -28.056 11.907 1.00 74.34 ATOM 1250 CB ALA 79 -9.977 -29.513 13.363 1.00 75.23 ATOM 1251 HB1 ALA 79 -8.960 -29.614 13.015 1.00 65.50 ATOM 1252 HB2 ALA 79 -10.589 -30.276 12.903 1.00 2.52 ATOM 1253 HB3 ALA 79 -10.001 -29.631 14.438 1.00 52.41 ATOM 1254 C ALA 79 -11.941 -27.967 13.466 1.00 21.31 ATOM 1255 O ALA 79 -12.883 -28.411 12.809 1.00 43.35 ATOM 1256 N LYS 80 -12.103 -27.324 14.617 1.00 13.12 ATOM 1257 HN LYS 80 -11.323 -27.029 15.130 1.00 37.96 ATOM 1258 CA LYS 80 -13.426 -27.095 15.187 1.00 71.34 ATOM 1259 HA LYS 80 -14.064 -27.933 14.933 1.00 23.01 ATOM 1260 CB LYS 80 -13.338 -27.000 16.711 1.00 31.24 ATOM 1261 HB1 LYS 80 -12.565 -26.295 16.974 1.00 37.96 ATOM 1262 HB2 LYS 80 -13.070 -27.974 17.098 1.00 72.11 ATOM 1263 CG LYS 80 -14.633 -26.555 17.369 1.00 61.12 ATOM 1264 HG1 LYS 80 -15.446 -27.169 17.004 1.00 37.96 ATOM 1265 HG2 LYS 80 -14.817 -25.521 17.112 1.00 72.42 ATOM 1266 CD LYS 80 -14.563 -26.683 18.881 1.00 11.33 ATOM 1267 HD1 LYS 80 -13.569 -26.417 19.213 1.00 37.96 ATOM 1268 HD2 LYS 80 -14.779 -27.704 19.159 1.00 13.12 ATOM 1269 CE LYS 80 -15.554 -25.753 19.565 1.00 22.24 ATOM 1270 HE1 LYS 80 -16.405 -25.592 18.914 1.00 37.96 ATOM 1271 HE2 LYS 80 -15.083 -24.821 19.752 1.00 73.11 ATOM 1272 NZ LYS 80 -16.054 -26.322 20.847 1.00 31.54 ATOM 1273 HZ1 LYS 80 -16.537 -27.229 20.677 1.00 62.43 ATOM 1274 HZ2 LYS 80 -16.728 -25.664 21.288 1.00 54.44 ATOM 1275 HZ3 LYS 80 -15.263 -26.480 21.506 1.00 11.31 ATOM 1276 C LYS 80 -14.049 -25.822 14.622 1.00 23.24 ATOM 1277 O LYS 80 -15.271 -25.694 14.557 1.00 52.55 ATOM 1278 N VAL 81 -13.200 -24.884 14.215 1.00 42.11 ATOM 1279 HN VAL 81 -12.235 -25.023 14.308 1.00 37.96 ATOM 1280 CA VAL 81 -13.667 -23.622 13.654 1.00 41.03 ATOM 1281 HA VAL 81 -14.580 -23.332 14.165 1.00 23.20 ATOM 1282 CB VAL 81 -12.630 -22.500 13.855 1.00 75.54 ATOM 1283 HB VAL 81 -11.714 -22.784 13.354 1.00 24.22 ATOM 1284 CG1 VAL 81 -13.125 -21.200 13.241 1.00 52.32 ATOM 1285 HG11 VAL 81 -14.187 -21.079 13.417 1.00 32.24 ATOM 1286 HG12 VAL 81 -12.934 -21.223 12.185 1.00 24.34 ATOM 1287 HG13 VAL 81 -12.596 -20.362 13.672 1.00 64.32 ATOM 1288 CG2 VAL 81 -12.323 -22.319 15.333 1.00 3.33 ATOM 1289 HG21 VAL 81 -13.173 -21.865 15.827 1.00 10.44 ATOM 1290 HG22 VAL 81 -11.465 -21.675 15.443 1.00 72.10 ATOM 1291 HG23 VAL 81 -12.116 -23.260 15.794 1.00 14.01 ATOM 1292 C VAL 81 -13.968 -23.760 12.166 1.00 62.35 ATOM 1293 O VAL 81 -14.907 -23.152 11.653 1.00 43.03 ATOM 1294 N MET 82 -13.165 -24.565 11.477 1.00 4.13 ATOM 1295 HN MET 82 -12.429 -25.030 11.934 1.00 37.96 ATOM 1296 CA MET 82 -13.346 -24.785 10.047 1.00 12.42 ATOM 1297 HA MET 82 -13.790 -23.899 9.610 1.00 15.23 ATOM 1298 CB MET 82 -11.997 -25.038 9.373 1.00 64.31 ATOM 1299 HB1 MET 82 -12.153 -25.235 8.319 1.00 37.96 ATOM 1300 HB2 MET 82 -11.543 -25.909 9.825 1.00 14.24 ATOM 1301 CG MET 82 -11.022 -23.880 9.509 1.00 50.31 ATOM 1302 HG1 MET 82 -10.049 -24.209 9.174 1.00 37.96 ATOM 1303 HG2 MET 82 -10.959 -23.591 10.549 1.00 72.25 ATOM 1304 SD MET 82 -11.514 -22.441 8.540 1.00 12.22 ATOM 1305 CE MET 82 -10.817 -22.853 6.943 1.00 60.32 ATOM 1306 HE1 MET 82 -11.063 -22.078 6.232 1.00 71.43 ATOM 1307 HE2 MET 82 -11.224 -23.794 6.604 1.00 44.45 ATOM 1308 HE3 MET 82 -9.744 -22.935 7.029 1.00 24.22 ATOM 1309 C MET 82 -14.284 -25.960 9.793 1.00 60.54 ATOM 1310 O MET 82 -14.936 -26.031 8.751 1.00 23.11 ATOM 1311 N GLN 83 -14.346 -26.880 10.750 1.00 60.30 ATOM 1312 HN GLN 83 -13.796 -26.798 11.558 1.00 37.96 ATOM 1313 CA GLN 83 -15.204 -28.053 10.627 1.00 24.14 ATOM 1314 HA GLN 83 -15.047 -28.671 11.499 1.00 42.33 ATOM 1315 CB GLN 83 -16.673 -27.633 10.568 1.00 11.43 ATOM 1316 HB1 GLN 83 -17.276 -28.512 10.366 1.00 37.96 ATOM 1317 HB2 GLN 83 -16.820 -26.926 9.770 1.00 64.33 ATOM 1318 CG GLN 83 -17.180 -27.009 11.859 1.00 60.23 ATOM 1319 HG1 GLN 83 -16.793 -26.003 11.933 1.00 37.96 ATOM 1320 HG2 GLN 83 -16.826 -27.592 12.699 1.00 40.31 ATOM 1321 CD GLN 83 -18.693 -26.951 11.924 1.00 74.03 ATOM 1322 OE1 GLN 83 -19.314 -27.578 12.783 1.00 0.30 ATOM 1323 NE2 GLN 83 -19.297 -26.196 11.013 1.00 3.00 ATOM 1324 HE21 GLN 83 -18.751 -25.717 10.349 1.00 30.22 ATOM 1325 HE22 GLN 83 -20.275 -26.146 11.039 1.00 10.12 ATOM 1326 C GLN 83 -14.844 -28.863 9.386 1.00 21.23 ATOM 1327 O GLN 83 -15.703 -29.502 8.778 1.00 21.01 ATOM 1328 N LYS 84 -13.568 -28.832 9.015 1.00 75.50 ATOM 1329 HN LYS 84 -12.912 -28.335 9.556 1.00 37.96 ATOM 1330 CA LYS 84 -13.093 -29.564 7.847 1.00 74.23 ATOM 1331 HA LYS 84 -13.771 -29.355 7.032 1.00 4.32 ATOM 1332 CB LYS 84 -11.694 -29.086 7.454 1.00 3.12 ATOM 1333 HB1 LYS 84 -11.008 -29.330 8.255 1.00 37.96 ATOM 1334 HB2 LYS 84 -11.713 -28.010 7.343 1.00 72.35 ATOM 1335 CG LYS 84 -11.169 -29.722 6.178 1.00 11.25 ATOM 1336 HG1 LYS 84 -11.556 -30.720 6.061 1.00 37.96 ATOM 1337 HG2 LYS 84 -10.092 -29.780 6.260 1.00 42.12 ATOM 1338 CD LYS 84 -11.498 -28.878 4.959 1.00 51.34 ATOM 1339 HD1 LYS 84 -10.691 -28.978 4.248 1.00 37.96 ATOM 1340 HD2 LYS 84 -11.599 -27.836 5.233 1.00 24.41 ATOM 1341 CE LYS 84 -12.785 -29.339 4.292 1.00 30.20 ATOM 1342 HE1 LYS 84 -13.004 -28.669 3.473 1.00 37.96 ATOM 1343 HE2 LYS 84 -13.592 -29.303 5.003 1.00 30.30 ATOM 1344 NZ LYS 84 -12.667 -30.724 3.757 1.00 2.11 ATOM 1345 HZ1 LYS 84 -12.690 -31.416 4.531 1.00 22.42 ATOM 1346 HZ2 LYS 84 -11.778 -30.842 3.226 1.00 13.42 ATOM 1347 HZ3 LYS 84 -13.461 -30.920 3.115 1.00 54.02 ATOM 1348 C LYS 84 -13.072 -31.065 8.117 1.00 70.44 ATOM 1349 O LYS 84 -12.394 -31.531 9.032 1.00 25.41 ATOM 1350 N ASP 85 -13.817 -31.817 7.314 1.00 53.33 ATOM 1351 HN ASP 85 -14.342 -31.398 6.596 1.00 37.96 ATOM 1352 CA ASP 85 -13.882 -33.266 7.465 1.00 43.25 ATOM 1353 HA ASP 85 -14.587 -33.635 6.733 1.00 12.20 ATOM 1354 CB ASP 85 -12.507 -33.888 7.212 1.00 54.21 ATOM 1355 HB1 ASP 85 -11.923 -33.897 8.124 1.00 37.96 ATOM 1356 HB2 ASP 85 -11.984 -33.297 6.472 1.00 54.12 ATOM 1357 CG ASP 85 -12.602 -35.305 6.682 1.00 20.35 ATOM 1358 OD1 ASP 85 -13.193 -35.495 5.599 1.00 33.33 ATOM 1359 OD2 ASP 85 -12.085 -36.225 7.352 1.00 54.33 ATOM 1360 C ASP 85 -14.378 -33.646 8.856 1.00 2.22 ATOM 1361 O ASP 85 -13.845 -34.558 9.488 1.00 10.13 ATOM 1362 N SER 86 -15.400 -32.939 9.328 1.00 72.53 ATOM 1363 HN SER 86 -15.809 -32.235 8.772 1.00 37.96 ATOM 1364 HA SER 86 -15.280 -33.819 11.213 1.00 64.30 ATOM 1365 CB SER 86 -16.159 -31.887 11.409 1.00 33.32 ATOM 1366 HB1 SER 86 -16.895 -32.017 12.194 1.00 37.96 ATOM 1367 HB2 SER 86 -16.499 -31.120 10.729 1.00 31.14 ATOM 1368 OG SER 86 -14.947 -31.459 12.004 1.00 24.14 ATOM 1369 HG SER 86 -14.798 -31.944 12.820 1.00 4.03 ATOM 1370 CA SER 86 -15.965 -33.199 10.647 1.00 71.43 ATOM 1371 C SER 86 -17.296 -33.936 10.532 1.00 14.20 ATOM 1372 OT1 SER 86 -18.200 -33.426 9.834 1.00 37.96 ATOM 1373 OT2 SER 86 -17.427 -35.020 11.141 1.00 37.96 ATOM 1374 OH2 TIP3 1 -19.783 -37.346 1.909 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -19.821 -37.992 2.614 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -20.106 -37.812 1.138 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.077 -34.407 0.211 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.518 -35.127 0.661 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.090 -33.686 0.841 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.966 -29.302 0.423 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -18.346 -29.979 0.150 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -19.174 -29.520 1.331 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -18.253 -40.519 2.643 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.110 -41.466 2.663 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -18.359 -40.312 1.714 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -12.339 -41.834 5.412 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -13.028 -41.176 5.317 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -12.324 -42.031 6.349 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -17.313 -30.786 -0.816 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -16.888 -31.493 -1.301 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -16.996 -29.985 -1.233 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -16.154 -32.885 -2.307 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -16.411 -33.575 -2.919 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -16.083 -33.328 -1.462 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -16.692 -38.973 5.962 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.612 -38.210 6.534 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -17.293 -38.694 5.271 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -18.268 -32.245 3.144 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -18.509 -31.583 3.792 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -18.466 -33.079 3.569 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -23.697 -33.349 7.127 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -24.009 -32.567 7.583 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -24.347 -33.502 6.441 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -25.458 -31.277 7.891 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -25.450 -31.413 6.943 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -26.374 -31.395 8.143 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -20.934 -32.064 6.623 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -20.847 -31.238 7.098 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -21.798 -32.394 6.872 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -14.761 -40.145 8.227 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -15.168 -39.664 7.507 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -14.720 -41.050 7.920 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -17.004 -41.813 6.448 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -17.518 -41.939 7.245 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -17.159 -40.901 6.203 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -20.267 -39.513 8.532 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -20.830 -40.217 8.852 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -19.441 -39.633 8.999 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -19.101 -38.604 4.529 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -18.777 -39.235 3.886 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -19.541 -39.139 5.190 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -20.313 -35.104 6.536 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -20.659 -35.485 7.342 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -20.513 -34.170 6.607 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -22.683 -38.015 8.596 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -22.979 -38.181 7.701 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -21.752 -38.235 8.586 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -16.876 -36.803 2.340 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -17.804 -37.035 2.313 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.425 -37.580 2.010 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -22.391 -30.663 4.364 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -22.028 -29.808 4.131 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -21.859 -30.955 5.105 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -18.847 -34.564 4.065 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -19.273 -34.791 4.891 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -18.266 -35.302 3.882 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -14.607 -42.765 6.783 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -15.523 -42.502 6.695 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -14.271 -42.768 5.886 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -16.005 -39.014 0.879 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.802 -39.429 0.550 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.560 -39.705 1.370 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -24.607 -30.168 10.349 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -23.839 -30.627 10.690 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -24.628 -30.394 9.419 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -22.642 -35.307 9.116 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -22.970 -35.036 8.258 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -22.490 -36.248 9.028 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -22.184 -37.904 5.292 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -21.433 -38.060 4.719 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -22.523 -37.052 5.016 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -17.768 -40.089 10.320 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -17.576 -41.020 10.209 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -16.911 -39.664 10.310 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -14.384 -40.756 2.089 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -13.451 -40.544 2.055 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -14.619 -40.654 3.012 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -14.355 -40.019 4.865 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -15.198 -39.751 5.231 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -13.912 -39.197 4.654 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -12.552 -43.930 8.568 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -13.469 -43.659 8.532 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -12.429 -44.465 7.784 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -15.464 -29.018 -1.698 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -14.811 -29.365 -2.306 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -14.953 -28.529 -1.052 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -20.814 -29.715 8.063 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -20.629 -30.049 8.941 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -19.967 -29.406 7.741 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -20.545 -28.370 3.357 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -21.002 -27.841 2.703 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -20.382 -27.767 4.082 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -18.218 -29.492 4.302 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -19.122 -29.327 4.036 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -17.789 -28.639 4.236 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.484 -29.238 -3.690 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.678 -29.986 -4.255 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -13.523 -28.480 -4.274 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.716 -36.601 17.346 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -18.627 -35.657 17.214 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -19.355 -36.876 16.688 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -16.077 -34.407 19.067 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -16.518 -35.127 19.517 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -16.090 -33.686 19.697 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -18.966 -29.302 19.279 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -18.346 -29.979 19.006 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.174 -29.520 20.187 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -18.919 -34.000 16.389 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -19.215 -34.322 15.538 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -19.243 -33.100 16.431 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -15.565 -32.567 21.415 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -16.507 -32.509 21.576 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.289 -31.661 21.278 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -17.313 -30.786 18.040 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -16.888 -31.493 17.555 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -16.996 -29.985 17.623 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -16.154 -32.885 16.549 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -16.411 -33.575 15.937 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -16.083 -33.328 17.394 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -19.995 -37.357 14.798 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -20.707 -36.822 14.447 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.304 -37.301 14.138 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -19.941 -38.899 11.837 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -19.240 -38.877 12.488 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -19.639 -39.527 11.181 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -12.626 -37.979 23.092 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -13.278 -37.284 23.181 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -12.161 -37.769 22.282 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -16.589 -37.147 15.750 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -17.321 -36.919 16.323 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -16.142 -37.861 16.205 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -16.692 -38.973 24.818 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.612 -38.210 25.390 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.293 -38.694 24.127 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -18.268 -32.245 22.000 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -18.509 -31.583 22.648 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -18.466 -33.079 22.425 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -19.992 -31.248 16.870 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -19.518 -30.953 17.648 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -20.555 -30.510 16.637 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -20.934 -32.064 25.479 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -20.847 -31.238 25.954 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -21.798 -32.394 25.728 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -14.761 -40.145 27.083 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -15.168 -39.664 26.363 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -14.720 -41.050 26.776 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -19.369 -39.688 15.900 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -19.778 -38.873 15.608 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -18.649 -39.828 15.285 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -21.833 -35.288 14.155 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -22.577 -35.795 13.832 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -21.967 -35.239 15.101 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -14.683 -36.155 22.941 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -14.041 -35.698 22.398 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -15.513 -36.042 22.479 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -17.935 -42.474 12.354 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -18.873 -42.362 12.203 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -17.638 -41.617 12.660 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -20.313 -35.104 25.392 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -20.659 -35.485 26.198 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -20.513 -34.170 25.463 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -17.217 -40.607 14.015 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -16.325 -40.744 14.334 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -17.160 -39.816 13.478 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.063 -32.642 25.342 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -18.964 -32.459 25.074 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -18.029 -32.383 26.263 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -12.332 -40.397 13.709 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -12.886 -40.793 13.037 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -12.231 -39.487 13.432 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -22.906 -34.812 16.905 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -23.147 -33.887 16.947 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -23.646 -35.271 17.301 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -24.222 -29.790 16.450 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -25.172 -29.685 16.502 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -23.871 -28.970 16.795 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -18.847 -34.564 22.921 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -19.273 -34.791 23.747 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -18.266 -35.302 22.738 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -22.553 -32.523 10.442 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -22.314 -33.271 9.894 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -22.822 -32.911 11.274 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -23.616 -32.953 12.898 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -23.469 -33.473 13.688 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -23.619 -32.046 13.204 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -20.878 -31.255 13.647 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -21.695 -30.758 13.700 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -20.349 -30.780 13.007 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -23.540 -30.212 13.629 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -23.379 -29.412 13.128 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -23.737 -29.905 14.514 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -18.030 -31.788 27.934 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -18.381 -32.644 28.177 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -17.304 -31.645 28.541 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -24.956 -34.933 10.671 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -24.892 -35.727 11.202 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -24.303 -35.052 9.982 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -16.907 -35.391 25.355 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.162 -34.803 25.235 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -17.664 -34.809 25.418 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -23.807 -36.961 12.977 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -24.266 -37.445 13.663 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -23.552 -37.629 12.341 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -22.736 -38.718 11.240 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -22.916 -38.872 10.312 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -21.785 -38.610 11.284 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -19.498 -36.597 28.611 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -18.545 -36.513 28.583 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -19.658 -37.308 29.230 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -16.452 -37.300 27.254 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -16.733 -36.591 26.676 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.509 -37.373 27.103 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -12.887 -35.494 14.660 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -12.037 -35.073 14.788 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -12.882 -36.234 15.268 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -12.493 -37.441 16.484 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -13.219 -37.920 16.882 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -11.912 -37.235 17.216 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -12.734 -34.656 21.432 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -11.900 -35.034 21.151 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -12.622 -33.713 21.313 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -12.225 -37.540 12.875 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -12.746 -37.183 12.156 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -12.258 -36.865 13.553 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.876 -40.300 11.426 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -13.779 -39.633 10.746 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -14.016 -41.116 10.944 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -14.706 -38.920 17.047 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -14.856 -39.865 17.027 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.060 -38.639 17.891 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -13.850 -36.950 26.686 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -13.267 -37.684 26.877 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -13.286 -36.178 26.732 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -12.353 -39.047 27.370 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -13.216 -39.426 27.205 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -11.749 -39.786 27.296 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.628 -42.892 10.543 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -14.018 -43.264 11.180 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.465 -43.314 10.739 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -20.814 -29.715 26.919 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -20.629 -30.049 27.797 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -19.967 -29.406 26.597 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -18.469 -28.430 26.163 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -17.792 -29.062 25.923 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -18.147 -28.028 26.971 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -20.545 -28.370 22.213 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -21.002 -27.841 21.559 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -20.382 -27.767 22.938 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -18.218 -29.492 23.158 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -19.122 -29.327 22.892 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -17.789 -28.639 23.092 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -16.077 -34.407 37.923 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -16.518 -35.127 38.373 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -16.090 -33.686 38.553 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -15.565 -32.567 40.271 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -16.507 -32.509 40.432 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -15.289 -31.661 40.134 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -17.313 -30.786 36.896 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -16.888 -31.493 36.411 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.996 -29.985 36.479 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -16.154 -32.885 35.405 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -16.411 -33.575 34.793 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.083 -33.328 36.250 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.468 -34.319 43.882 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -14.328 -34.910 43.143 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.300 -33.446 43.526 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -17.718 -37.985 32.291 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -17.139 -37.835 33.038 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -17.304 -37.514 31.568 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -11.913 -31.638 45.459 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -11.962 -32.593 45.422 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -12.739 -31.370 45.861 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -17.418 -29.138 31.144 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -17.043 -29.882 30.673 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -17.414 -29.408 32.062 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -17.749 -29.212 33.893 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -18.684 -29.112 34.072 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -17.469 -29.921 34.471 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -16.241 -36.952 29.921 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.199 -37.175 28.991 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -15.392 -36.554 30.111 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -14.631 -27.770 46.566 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -14.431 -27.346 45.731 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -13.975 -27.427 47.173 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -19.707 -33.829 32.036 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -20.002 -33.003 32.418 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -20.410 -34.449 32.232 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -14.036 -31.611 33.030 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -14.409 -32.437 33.340 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -13.759 -31.794 32.133 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -16.644 -33.635 30.851 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -16.291 -34.015 31.655 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -17.593 -33.728 30.937 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.188 -30.012 44.246 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -16.790 -30.567 43.751 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -15.907 -29.345 43.620 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -15.778 -34.962 33.077 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -16.055 -35.690 33.633 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -14.851 -34.843 33.283 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -20.515 -30.660 29.436 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -21.159 -31.291 29.758 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -19.753 -31.191 29.204 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -19.604 -33.886 29.263 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -19.872 -33.706 30.164 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -19.810 -34.812 29.132 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -12.639 -29.541 43.364 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -13.126 -30.276 42.993 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -12.090 -29.934 44.042 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -12.887 -35.494 33.516 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -12.037 -35.073 33.644 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -12.882 -36.234 34.124 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -12.734 -34.656 40.288 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -11.900 -35.034 40.007 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -12.622 -33.713 40.169 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -14.247 -31.778 42.595 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -14.895 -31.453 43.220 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -14.765 -32.218 41.920 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -12.225 -37.540 31.731 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -12.746 -37.183 31.012 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -12.258 -36.865 32.409 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.876 -40.300 30.282 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -13.779 -39.633 29.602 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.016 -41.116 29.800 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -15.464 -29.018 36.014 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -14.811 -29.365 35.406 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -14.953 -28.529 36.660 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -18.218 -29.492 42.014 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -19.122 -29.327 41.748 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -17.789 -28.639 41.948 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -15.613 -27.922 42.309 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -15.795 -27.006 42.098 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -15.437 -28.332 41.462 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -14.266 -30.487 46.172 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -15.048 -30.673 45.652 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -14.338 -29.558 46.389 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -14.468 -15.463 -12.686 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -14.328 -16.054 -13.425 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -14.300 -14.590 -13.042 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -12.626 -19.123 -14.620 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -13.278 -18.428 -14.531 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -12.161 -18.913 -15.430 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -11.913 -12.782 -11.109 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -11.962 -13.737 -11.146 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -12.739 -12.514 -10.707 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -14.631 -8.914 -10.002 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -14.431 -8.490 -10.837 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -13.975 -8.571 -9.395 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -12.368 -15.741 -11.166 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -13.220 -15.503 -11.533 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -11.778 -15.758 -11.919 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -12.202 -10.252 -16.126 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -12.224 -10.067 -15.187 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -11.512 -9.683 -16.467 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -12.639 -10.685 -13.204 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -13.126 -11.420 -13.575 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -12.090 -11.078 -12.526 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -14.188 -14.895 -8.566 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -15.054 -15.000 -8.172 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -13.812 -14.136 -8.119 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -12.734 -15.800 -16.280 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -11.900 -16.178 -16.561 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -12.622 -14.857 -16.399 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -14.247 -12.922 -13.973 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.895 -12.597 -13.348 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -14.765 -13.362 -14.648 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.850 -18.094 -11.026 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.267 -18.828 -10.835 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -13.286 -17.322 -10.980 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -12.353 -20.191 -10.342 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -13.216 -20.570 -10.507 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -11.749 -20.930 -10.416 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -14.266 -11.631 -10.396 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -15.048 -11.817 -10.916 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -14.338 -10.702 -10.179 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -16.077 -15.551 0.211 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -16.518 -16.271 0.661 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -16.090 -14.830 0.841 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -18.966 -10.446 0.423 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -18.346 -11.123 0.150 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -19.174 -10.664 1.331 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -18.253 -21.663 2.643 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.110 -22.610 2.663 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.359 -21.456 1.714 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -15.612 -24.140 0.297 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -15.827 -24.906 0.829 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -14.956 -23.668 0.810 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -15.565 -13.711 2.559 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -16.507 -13.653 2.720 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -15.289 -12.805 2.422 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -15.265 -25.425 3.976 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -16.001 -24.814 3.938 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -14.581 -25.010 3.450 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -17.313 -11.930 -0.816 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -16.888 -12.637 -1.301 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -16.996 -11.129 -1.233 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -16.154 -14.029 -2.307 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -16.411 -14.719 -2.919 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -16.083 -14.472 -1.462 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -16.692 -20.117 5.962 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.612 -19.354 6.534 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -17.293 -19.838 5.271 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -18.268 -13.389 3.144 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -18.509 -12.727 3.792 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -18.466 -14.223 3.569 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -12.830 -13.013 -7.231 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -12.757 -12.074 -7.061 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -11.925 -13.318 -7.288 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -17.418 -10.282 -6.568 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.043 -11.026 -7.039 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -17.414 -10.552 -5.650 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -17.749 -10.356 -3.819 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -18.684 -10.256 -3.640 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -17.469 -11.065 -3.241 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -20.330 -26.713 5.594 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -19.910 -27.128 6.347 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -21.263 -26.891 5.711 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -17.004 -22.957 6.448 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -17.518 -23.083 7.245 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.159 -22.045 6.203 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -20.267 -20.657 8.532 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -20.830 -21.361 8.852 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -19.441 -20.777 8.999 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -19.101 -19.748 4.529 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -18.777 -20.379 3.886 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -19.541 -20.283 5.190 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.918 -24.586 2.577 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -18.595 -24.455 3.241 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -18.404 -24.741 1.767 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -14.631 -8.914 8.854 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -14.431 -8.490 8.019 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -13.975 -8.571 9.461 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -14.683 -17.299 4.085 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -14.041 -16.842 3.542 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -15.513 -17.186 3.623 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -20.313 -16.248 6.536 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -20.659 -16.629 7.342 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -20.513 -15.314 6.607 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.063 -13.786 6.486 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.964 -13.603 6.218 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -18.029 -13.527 7.407 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -14.036 -12.755 -4.682 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.409 -13.581 -4.372 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -13.759 -12.938 -5.579 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -16.876 -17.947 2.340 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -17.804 -18.179 2.313 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -16.425 -18.724 2.010 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -18.847 -15.708 4.065 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -19.273 -15.935 4.891 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -18.266 -16.446 3.882 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -16.188 -11.156 6.534 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.790 -11.711 6.039 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -15.907 -10.489 5.908 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -12.140 -10.299 -6.660 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -11.397 -9.713 -6.800 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -12.835 -9.731 -6.327 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -19.331 -24.182 4.831 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -18.633 -24.108 5.481 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -19.712 -25.046 4.986 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -20.811 -21.816 5.948 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -20.692 -21.242 6.705 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -20.156 -22.504 6.063 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -16.005 -20.158 0.879 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.802 -20.573 0.550 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -15.560 -20.849 1.370 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -14.918 -10.902 2.501 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -15.074 -10.224 1.844 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -13.986 -10.830 2.704 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.030 -12.932 9.078 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -18.381 -13.788 9.321 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.304 -12.789 9.685 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -15.911 -11.987 -8.042 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -15.628 -12.781 -7.589 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -15.171 -11.754 -8.603 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -16.907 -16.535 6.499 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -16.162 -15.947 6.379 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -17.664 -15.953 6.562 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -19.498 -17.741 9.755 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -18.545 -17.657 9.727 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -19.658 -18.452 10.374 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -13.346 -17.507 -8.171 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -13.619 -17.932 -8.984 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -13.306 -16.576 -8.388 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -24.178 -22.857 7.560 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -24.028 -23.586 6.957 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -24.176 -22.080 7.001 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -23.766 -24.487 5.052 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -23.230 -24.036 4.400 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -24.618 -24.595 4.630 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -25.700 -21.659 9.471 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -26.467 -22.191 9.261 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -25.021 -21.969 8.872 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -22.960 -27.031 5.484 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -23.058 -26.084 5.378 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -23.703 -27.403 5.008 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -21.696 -22.709 9.047 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -21.932 -22.929 9.949 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -22.479 -22.916 8.538 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -22.738 -27.737 8.155 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -22.026 -28.377 8.141 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -22.839 -27.470 7.241 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -12.887 -16.638 -4.196 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -12.037 -16.217 -4.068 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -12.882 -17.378 -3.588 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -12.493 -18.585 -2.372 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -13.219 -19.064 -1.974 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -11.912 -18.379 -1.640 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -12.734 -15.800 2.576 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -11.900 -16.178 2.295 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -12.622 -14.857 2.457 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -12.225 -18.684 -5.981 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -12.746 -18.327 -6.700 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -12.258 -18.009 -5.303 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -14.706 -20.064 -1.809 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -14.856 -21.009 -1.829 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -15.060 -19.783 -0.965 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -14.384 -21.900 2.089 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -13.451 -21.688 2.055 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -14.619 -21.798 3.012 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -20.814 -10.859 8.063 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -20.629 -11.193 8.941 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.967 -10.550 7.741 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -18.469 -9.574 7.307 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -17.792 -10.206 7.067 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -18.147 -9.172 8.115 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -18.218 -10.636 4.302 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -19.122 -10.471 4.036 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.789 -9.783 4.236 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -15.613 -9.066 4.597 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -15.795 -8.150 4.386 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -15.437 -9.476 3.750 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -14.979 -27.428 0.822 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -14.375 -26.880 0.321 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -15.848 -27.108 0.582 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -13.252 -26.289 -0.844 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -12.640 -26.803 -1.371 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -12.869 -25.411 -0.821 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -17.658 -26.944 -0.006 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -17.582 -26.849 -0.955 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -17.934 -27.852 0.123 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -25.864 -27.036 9.585 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -24.965 -27.310 9.400 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -26.250 -27.779 10.049 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.716 -17.745 17.346 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -18.627 -16.801 17.214 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -19.355 -18.020 16.688 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -19.783 -18.490 20.765 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -19.821 -19.136 21.470 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -20.106 -18.956 19.994 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -16.077 -15.551 19.067 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -16.518 -16.271 19.517 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -16.090 -14.830 19.697 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -18.966 -10.446 19.279 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -18.346 -11.123 19.006 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -19.174 -10.664 20.187 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -18.919 -15.144 16.389 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -19.215 -15.466 15.538 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -19.243 -14.244 16.431 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -15.565 -13.711 21.415 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -16.507 -13.653 21.576 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -15.289 -12.805 21.278 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -22.262 -27.338 20.298 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -22.379 -28.287 20.244 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -23.117 -27.006 20.571 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -17.313 -11.930 18.040 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -16.888 -12.637 17.555 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -16.996 -11.129 17.623 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -16.154 -14.029 16.549 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -16.411 -14.719 15.937 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -16.083 -14.472 17.394 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -19.995 -18.501 14.798 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -20.707 -17.966 14.447 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -19.304 -18.445 14.138 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -19.941 -20.043 11.837 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -19.240 -20.021 12.488 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -19.639 -20.671 11.181 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -16.589 -18.291 15.750 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.321 -18.063 16.323 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -16.142 -19.005 16.205 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -18.268 -13.389 22.000 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -18.509 -12.727 22.648 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -18.466 -14.223 22.425 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -19.992 -12.392 16.870 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -19.518 -12.097 17.648 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -20.555 -11.654 16.637 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -11.913 -12.782 26.603 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -11.962 -13.737 26.566 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -12.739 -12.514 27.005 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -17.418 -10.282 12.288 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -17.043 -11.026 11.817 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -17.414 -10.552 13.206 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.749 -10.356 15.037 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -18.684 -10.256 15.216 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.469 -11.065 15.615 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -20.330 -26.713 24.450 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -19.910 -27.128 25.203 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -21.263 -26.891 24.567 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -19.369 -20.832 15.900 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -19.778 -20.017 15.608 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -18.649 -20.972 15.285 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -20.267 -20.657 27.388 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -20.830 -21.361 27.708 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -19.441 -20.777 27.855 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -18.365 -21.386 18.714 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -18.560 -20.781 17.999 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -18.183 -22.220 18.279 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -23.786 -23.775 10.836 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -24.217 -24.220 11.566 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -24.504 -23.403 10.324 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -19.101 -19.748 23.385 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -18.777 -20.379 22.742 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -19.541 -20.283 24.046 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -22.323 -23.821 18.169 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -23.234 -23.764 18.458 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -21.818 -23.881 18.980 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -23.842 -22.192 14.652 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -22.910 -22.063 14.830 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -24.057 -21.522 14.003 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -25.168 -20.997 12.219 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -25.710 -21.377 11.528 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -24.334 -20.803 11.790 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -21.003 -21.033 20.056 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -20.439 -21.580 19.509 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -21.151 -21.555 20.845 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -22.377 -22.645 22.470 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -23.212 -22.191 22.580 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -21.853 -22.369 23.222 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -21.833 -16.432 14.155 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -22.577 -16.939 13.832 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -21.967 -16.383 15.101 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -19.707 -14.973 13.180 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -20.002 -14.147 13.562 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -20.410 -15.593 13.376 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -18.063 -13.786 25.342 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -18.964 -13.603 25.074 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.029 -13.527 26.263 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -12.368 -15.741 26.546 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -13.220 -15.503 26.179 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -11.778 -15.758 25.793 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.876 -17.947 21.196 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -17.804 -18.179 21.169 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -16.425 -18.724 20.866 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -18.847 -15.708 22.921 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -19.273 -15.935 23.747 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -18.266 -16.446 22.738 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -16.188 -11.156 25.390 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -16.790 -11.711 24.895 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -15.907 -10.489 24.764 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -19.331 -24.182 23.687 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -18.633 -24.108 24.337 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -19.712 -25.046 23.842 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -20.878 -12.399 13.647 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -21.695 -11.902 13.700 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -20.349 -11.924 13.007 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -21.347 -22.802 15.619 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -20.535 -22.298 15.665 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -21.592 -22.947 16.533 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -20.811 -21.816 24.804 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -20.692 -21.242 25.561 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -20.156 -22.504 24.919 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -20.463 -25.721 16.557 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -20.810 -25.103 17.202 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -19.805 -25.220 16.076 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -24.806 -24.658 13.245 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -24.889 -23.769 13.591 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -23.916 -24.923 13.476 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -14.918 -10.902 21.357 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -15.074 -10.224 20.700 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -13.986 -10.830 21.560 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -20.515 -11.804 10.580 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -21.159 -12.435 10.902 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -19.753 -12.335 10.348 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -19.604 -15.030 10.407 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -19.872 -14.850 11.308 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -19.810 -15.956 10.276 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -16.907 -16.535 25.355 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -16.162 -15.947 25.235 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -17.664 -15.953 25.418 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -22.736 -19.862 11.240 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -22.916 -20.016 10.312 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -21.785 -19.754 11.284 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -19.498 -17.741 28.611 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -18.545 -17.657 28.583 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -19.658 -18.452 29.230 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -17.768 -21.233 29.176 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.576 -22.164 29.065 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.911 -20.808 29.166 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.452 -18.444 27.254 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.733 -17.735 26.676 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -15.509 -18.517 27.103 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -22.960 -27.031 24.340 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -23.058 -26.084 24.234 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -23.703 -27.403 23.864 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -21.696 -22.709 27.903 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -21.932 -22.929 28.805 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -22.479 -22.916 27.394 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -18.980 -23.582 26.979 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -19.928 -23.550 27.111 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -18.668 -24.207 27.633 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -17.346 -24.948 28.984 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -17.443 -25.900 28.978 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -17.668 -24.679 29.845 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -12.202 -10.252 21.586 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.224 -10.067 22.525 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -11.512 -9.683 21.245 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -12.639 -10.685 24.508 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -13.126 -11.420 24.137 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -12.090 -11.078 25.186 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.188 -14.895 29.146 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.054 -15.000 29.540 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -13.812 -14.136 29.593 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.247 -12.922 23.739 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.895 -12.597 24.364 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.765 -13.362 23.064 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.613 -9.066 23.453 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -15.795 -8.150 23.242 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -15.437 -9.476 22.606 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -20.121 -25.535 19.566 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -20.796 -26.164 19.821 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.557 -26.019 18.963 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -23.215 -26.974 17.201 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -22.341 -26.586 17.171 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -23.351 -27.189 18.124 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -27.097 -25.187 11.634 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -26.606 -25.817 11.106 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -26.474 -24.891 12.297 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -22.071 -24.894 14.091 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -21.893 -25.540 14.774 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -22.125 -24.060 14.558 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -20.193 -9.945 12.486 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -19.327 -9.579 12.308 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -20.440 -10.385 11.673 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -17.442 -27.704 28.623 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -17.366 -28.130 29.477 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.549 -27.690 28.281 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.266 -11.631 27.316 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.048 -11.817 26.796 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.338 -10.702 27.533 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -12.731 -24.456 40.888 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -12.682 -23.846 41.624 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -12.305 -23.995 40.165 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -12.339 -22.978 43.124 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -13.028 -22.320 43.029 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -12.324 -23.175 44.061 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -15.612 -24.140 38.009 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.827 -24.906 38.541 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -14.956 -23.668 38.522 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.265 -25.425 41.688 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -16.001 -24.814 41.650 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.581 -25.010 41.162 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -19.941 -20.043 30.693 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -19.240 -20.021 31.344 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -19.639 -20.671 30.037 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -17.718 -19.129 32.291 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -17.139 -18.979 33.038 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -17.304 -18.658 31.568 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -16.241 -18.096 29.921 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -16.199 -18.319 28.991 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -15.392 -17.698 30.111 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -20.668 -24.220 30.591 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -20.922 -24.201 31.514 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -20.925 -25.092 30.290 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -17.935 -23.618 31.210 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -18.873 -23.506 31.059 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -17.638 -22.761 31.516 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -17.217 -21.751 32.871 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -16.325 -21.888 33.190 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -17.160 -20.960 32.334 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.607 -23.909 44.495 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.523 -23.646 44.407 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.271 -23.912 43.598 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -13.346 -17.507 29.541 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -13.619 -17.932 28.728 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -13.306 -16.576 29.324 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -12.887 -16.638 33.516 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -12.037 -16.217 33.644 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -12.882 -17.378 34.124 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -12.493 -18.585 35.340 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -13.219 -19.064 35.738 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -11.912 -18.379 36.072 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -14.706 -20.064 35.903 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -14.856 -21.009 35.883 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -15.060 -19.783 36.747 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -14.996 -22.481 34.365 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -14.716 -23.388 34.490 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -14.237 -22.047 33.976 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -14.384 -21.900 39.801 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -13.451 -21.688 39.767 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -14.619 -21.798 40.724 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -14.382 -25.218 34.414 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -14.200 -25.667 35.239 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -14.982 -25.803 33.950 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -12.552 -25.074 46.280 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -13.469 -24.803 46.244 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -12.429 -25.609 45.496 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.551 -26.984 44.099 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.364 -26.659 43.711 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.318 -27.744 43.566 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -14.979 -27.428 38.534 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -14.375 -26.880 38.033 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -15.848 -27.108 38.294 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -17.658 -26.944 37.706 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -17.582 -26.849 36.757 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -17.934 -27.852 37.835 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -16.305 -26.918 33.399 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -17.008 -26.304 33.189 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -16.750 -27.756 33.530 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -12.731 -5.600 -15.680 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -12.682 -4.990 -14.944 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -12.305 -5.139 -16.403 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -12.339 -4.122 -13.444 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -13.028 -3.464 -13.539 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.324 -4.319 -12.507 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -14.761 -2.433 -10.629 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -15.168 -1.952 -11.349 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -14.720 -3.338 -10.936 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.368 3.115 -11.166 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -13.220 3.353 -11.533 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -11.778 3.098 -11.919 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -14.607 -5.053 -12.073 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -15.523 -4.790 -12.161 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -14.271 -5.056 -12.970 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -17.768 -2.377 -8.536 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -17.576 -3.308 -8.647 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -16.911 -1.952 -8.546 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -16.452 0.412 -10.458 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -16.733 1.121 -11.036 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -15.509 0.339 -10.609 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -17.346 -6.092 -8.728 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -17.443 -7.044 -8.734 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -17.668 -5.823 -7.867 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -14.188 3.961 -8.566 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.054 3.856 -8.172 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -13.812 4.720 -8.119 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -13.850 0.762 -11.026 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -13.267 0.028 -10.835 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -13.286 1.534 -10.980 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.353 -1.335 -10.342 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -13.216 -1.714 -10.507 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -11.749 -2.074 -10.416 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -14.355 -2.307 -13.991 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -15.198 -2.039 -13.625 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -13.912 -1.485 -14.202 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -13.551 -8.128 -12.469 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -14.364 -7.803 -12.857 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -13.318 -8.888 -13.002 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -17.442 -8.848 -9.089 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -17.366 -9.274 -8.235 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -16.549 -8.834 -9.431 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -12.731 -5.600 3.176 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -12.682 -4.990 3.912 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -12.305 -5.139 2.453 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -17.376 -4.575 -1.684 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -16.730 -4.904 -1.059 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -16.866 -4.057 -2.307 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -12.339 -4.122 5.412 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -13.028 -3.464 5.317 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -12.324 -4.319 6.349 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -15.612 -5.284 0.297 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -15.827 -6.050 0.829 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -14.956 -4.812 0.810 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -15.265 -6.569 3.976 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -16.001 -5.958 3.938 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.581 -6.154 3.450 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -16.589 0.565 -3.106 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -17.321 0.793 -2.533 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -16.142 -0.149 -2.651 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -17.718 -0.273 -5.421 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -17.139 -0.123 -4.674 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -17.304 0.198 -6.144 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -14.020 -8.523 -5.608 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -14.919 -8.384 -5.313 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -13.768 -7.692 -6.010 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -16.241 0.760 -7.791 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -16.199 0.537 -8.721 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -15.392 1.158 -7.601 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -17.935 -4.762 -6.502 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.873 -4.650 -6.653 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -17.638 -3.905 -6.196 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -17.217 -2.895 -4.841 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -16.325 -3.032 -4.522 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -17.160 -2.104 -5.378 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -15.778 2.750 -4.635 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -16.055 2.022 -4.079 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -14.851 2.869 -4.429 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -18.547 -5.674 -4.072 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -18.327 -5.202 -4.875 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -17.989 -5.279 -3.401 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -16.005 -1.302 0.879 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -16.802 -1.717 0.550 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -15.560 -1.993 1.370 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -13.346 1.349 -8.171 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -13.619 0.924 -8.984 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -13.306 2.280 -8.388 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -17.346 -6.092 10.128 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -17.443 -7.044 10.122 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -17.668 -5.823 10.989 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -12.887 2.218 -4.196 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -12.037 2.639 -4.068 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -12.882 1.478 -3.588 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -12.493 0.271 -2.372 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -13.219 -0.208 -1.974 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -11.912 0.477 -1.640 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -14.706 -1.208 -1.809 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -14.856 -2.153 -1.829 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -15.060 -0.927 -0.965 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -14.628 -5.180 -8.313 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -14.018 -5.552 -7.676 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -15.465 -5.602 -8.117 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -14.384 -3.044 2.089 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -13.451 -2.832 2.055 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -14.619 -2.942 3.012 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -12.072 -8.327 10.219 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -11.722 -8.981 9.613 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -11.925 -7.490 9.779 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -12.552 -6.218 8.568 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -13.469 -5.947 8.532 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -12.429 -6.753 7.784 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -13.551 -8.128 6.387 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -14.364 -7.803 5.999 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -13.318 -8.888 5.854 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -17.658 -8.088 -0.006 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -17.582 -7.993 -0.955 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -17.934 -8.996 0.123 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -16.305 -8.062 -4.313 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -17.008 -7.448 -4.523 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -16.750 -8.900 -4.182 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -17.442 -8.848 9.767 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -17.366 -9.274 10.621 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -16.549 -8.834 9.425 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -12.731 -5.600 22.032 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -12.682 -4.990 22.768 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -12.305 -5.139 21.309 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -17.376 -4.575 17.172 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -16.730 -4.904 17.797 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -16.866 -4.057 16.549 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -15.612 -5.284 19.153 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -15.827 -6.050 19.685 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -14.956 -4.812 19.666 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -15.265 -6.569 22.832 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -16.001 -5.958 22.794 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -14.581 -6.154 22.306 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -14.020 -8.523 13.248 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -14.919 -8.384 13.543 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -13.768 -7.692 12.846 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -17.918 -5.730 21.433 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -18.595 -5.599 22.097 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -18.404 -5.885 20.623 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -12.332 -2.685 13.709 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -12.886 -3.081 13.037 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -12.231 -1.775 13.432 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -18.547 -5.674 14.784 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -18.327 -5.202 13.981 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -17.989 -5.279 15.455 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -14.628 -5.180 10.543 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -14.018 -5.552 11.180 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -15.465 -5.602 10.739 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -14.996 -3.625 15.509 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -14.716 -4.532 15.634 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -14.237 -3.191 15.120 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -14.384 -3.044 20.945 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -13.451 -2.832 20.911 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -14.619 -2.942 21.868 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -14.382 -6.362 15.558 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -14.200 -6.811 16.383 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -14.982 -6.947 15.094 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -12.516 -6.295 12.086 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -12.103 -7.016 11.610 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -11.834 -5.625 12.144 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -17.658 -8.088 18.850 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -17.582 -7.993 17.901 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -17.934 -8.996 18.979 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -16.305 -8.062 14.543 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -17.008 -7.448 14.333 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -16.750 -8.900 14.674 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -8.559 -37.731 3.502 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -8.517 -38.357 4.226 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -7.856 -37.108 3.684 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -7.635 -33.281 2.037 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -8.005 -34.083 1.668 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -6.694 -33.450 2.084 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -10.315 -37.459 -0.444 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -10.101 -38.229 0.083 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -9.577 -37.370 -1.047 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -0.110 -29.302 0.423 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 0.510 -29.979 0.150 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -0.318 -29.520 1.331 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -9.622 -40.021 0.677 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -8.968 -40.571 1.109 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -9.598 -40.295 -0.239 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -4.863 -35.824 4.277 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -5.603 -35.226 4.380 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -4.149 -35.270 3.961 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -6.455 -33.860 5.064 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -6.461 -32.981 4.686 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -7.309 -33.943 5.489 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 0.588 -32.245 3.144 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 0.347 -31.583 3.792 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 0.390 -33.079 3.569 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -4.841 -33.349 7.127 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -5.153 -32.567 7.583 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -5.491 -33.502 6.441 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -7.921 -37.151 6.356 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -7.851 -36.500 7.054 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -8.812 -37.048 6.021 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -6.602 -31.277 7.891 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -6.594 -31.413 6.943 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -7.518 -31.395 8.143 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 6.943 -31.638 7.747 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 6.894 -32.593 7.710 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 6.117 -31.370 8.149 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -2.078 -32.064 6.623 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -1.991 -31.238 7.098 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -2.942 -32.394 6.872 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -8.010 -29.503 -1.790 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -7.858 -29.851 -0.911 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -8.861 -29.859 -2.045 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -8.296 -40.005 5.182 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -8.334 -39.605 6.050 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -8.787 -40.822 5.272 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -8.177 -35.296 8.462 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -7.444 -35.042 9.023 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -8.957 -35.092 8.977 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -1.457 -35.104 6.536 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -1.803 -35.485 7.342 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -1.657 -34.170 6.607 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -7.852 -35.993 1.068 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.107 -35.995 0.467 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -7.774 -36.817 1.550 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 0.793 -32.642 6.486 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -0.108 -32.459 6.218 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 0.827 -32.383 7.407 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -3.535 -30.663 4.364 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -3.172 -29.808 4.131 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -3.003 -30.955 5.105 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 2.668 -30.012 6.534 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.066 -30.567 6.039 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 2.949 -29.345 5.908 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -9.210 -42.779 5.941 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -10.103 -42.440 5.874 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -9.309 -43.634 6.359 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 3.938 -29.758 2.501 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 3.782 -29.080 1.844 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 4.870 -29.686 2.704 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -9.637 -31.700 -2.601 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -10.469 -31.227 -2.574 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -9.091 -31.190 -3.200 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -3.786 -35.307 9.116 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -4.114 -35.036 8.258 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -3.634 -36.248 9.028 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 1.949 -35.391 6.499 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 2.694 -34.803 6.379 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 1.192 -34.809 6.562 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -5.662 -39.068 6.477 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -6.280 -38.393 6.758 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -5.318 -38.747 5.644 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -0.642 -36.597 9.755 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 0.311 -36.513 9.727 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -0.802 -37.308 10.374 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -6.844 -40.515 9.471 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -7.611 -41.047 9.261 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -6.165 -40.825 8.872 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -8.663 -42.594 9.176 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -8.452 -43.301 8.565 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -8.775 -43.032 10.020 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -11.765 -27.998 -2.055 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -12.412 -28.460 -2.588 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -11.410 -28.670 -1.472 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.895 -29.917 -0.250 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -11.229 -30.798 -0.078 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -10.673 -29.572 0.614 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 6.654 -29.108 2.730 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 6.632 -28.923 3.669 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 7.344 -28.539 2.389 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 6.217 -29.541 5.652 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 5.730 -30.276 5.281 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 6.766 -29.934 6.330 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 4.668 -33.751 10.290 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 3.802 -33.856 10.684 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 5.044 -32.992 10.737 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 4.609 -31.778 4.883 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 3.961 -31.453 5.508 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 4.091 -32.218 4.208 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -10.815 -36.842 2.201 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -10.631 -36.924 1.266 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -9.966 -36.966 2.625 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -11.217 -41.571 8.342 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -10.298 -41.693 8.578 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -11.667 -42.321 8.731 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -11.692 -40.260 2.302 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -11.200 -40.481 1.512 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -11.330 -39.419 2.583 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -6.269 -31.114 5.104 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -6.694 -30.305 4.821 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -5.364 -31.029 4.802 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -1.689 -28.370 3.357 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -2.146 -27.841 2.703 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -1.526 -27.767 4.082 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 0.638 -29.492 4.302 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -0.266 -29.327 4.036 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 1.067 -28.639 4.236 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -7.311 -30.525 0.717 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -7.530 -31.441 0.886 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -6.487 -30.385 1.183 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -4.774 -30.055 1.565 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.561 -30.943 1.278 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -4.709 -30.089 2.520 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 4.590 -30.487 8.460 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 3.808 -30.673 7.940 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 4.518 -29.558 8.677 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 0.140 -36.601 17.346 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 0.229 -35.657 17.214 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -0.499 -36.876 16.688 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -8.559 -37.731 22.358 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -8.517 -38.357 23.082 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.856 -37.108 22.540 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 2.779 -34.407 19.067 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 2.338 -35.127 19.517 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 2.766 -33.686 19.697 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -10.315 -37.459 18.412 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -10.101 -38.229 18.939 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -9.577 -37.370 17.809 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 0.603 -40.519 21.499 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 0.746 -41.466 21.519 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 0.497 -40.312 20.570 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -4.466 -38.471 18.749 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -3.850 -38.997 19.258 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -5.052 -39.111 18.345 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -10.334 -34.189 14.702 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -10.606 -33.960 13.813 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -10.289 -33.351 15.162 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 3.291 -32.567 21.415 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 2.349 -32.509 21.576 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 3.567 -31.661 21.278 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 2.702 -32.885 16.549 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 2.445 -33.575 15.937 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 2.773 -33.328 17.394 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 4.388 -34.319 25.026 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 4.528 -34.910 24.287 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 4.556 -33.446 24.670 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -1.139 -37.357 14.798 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -1.851 -36.822 14.447 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -0.448 -37.301 14.138 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 2.267 -37.147 15.750 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 1.535 -36.919 16.323 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 2.714 -37.861 16.205 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 2.164 -38.973 24.818 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 2.244 -38.210 25.390 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 1.563 -38.694 24.127 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -6.088 -36.517 17.633 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -6.418 -36.887 16.814 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -5.500 -37.187 17.979 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -5.721 -37.748 21.266 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -5.156 -37.627 20.503 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -5.402 -37.111 21.905 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 1.138 -37.985 13.435 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 1.717 -37.835 14.182 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 1.552 -37.514 12.712 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -7.921 -37.151 25.212 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -7.851 -36.500 25.910 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -8.812 -37.048 24.877 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -7.098 -37.447 15.222 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -7.390 -36.679 14.731 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -7.772 -38.107 15.059 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 6.026 -31.869 11.625 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 6.099 -30.930 11.795 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 6.931 -32.174 11.568 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -11.005 -35.084 24.037 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -11.506 -35.112 23.222 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -10.999 -35.990 24.347 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 2.615 -36.952 11.065 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 2.657 -37.175 10.135 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 3.464 -36.554 11.255 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -6.046 -40.325 22.171 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -6.688 -40.366 22.880 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -6.009 -39.399 21.933 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -6.049 -40.104 17.083 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -6.942 -40.445 17.024 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -5.598 -40.481 16.327 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -0.513 -39.688 15.900 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -0.922 -38.873 15.608 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 0.207 -39.828 15.285 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 0.491 -40.242 18.714 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 0.296 -39.637 17.999 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 0.673 -41.076 18.279 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -0.245 -38.604 23.385 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 0.079 -39.235 22.742 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -0.685 -39.139 24.046 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -2.147 -39.889 20.056 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -1.583 -40.436 19.509 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -2.295 -40.411 20.845 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -3.521 -41.501 22.470 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -4.356 -41.047 22.580 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -2.997 -41.225 23.222 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -2.977 -35.288 14.155 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -3.721 -35.795 13.832 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -3.111 -35.239 15.101 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 4.173 -36.155 22.941 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 4.815 -35.698 22.398 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 3.343 -36.042 22.479 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -1.457 -35.104 25.392 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -1.803 -35.485 26.198 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -1.657 -34.170 25.463 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -7.852 -35.993 19.924 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -7.107 -35.995 19.323 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -7.774 -36.817 20.406 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -10.844 -37.532 25.239 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -10.621 -37.950 26.071 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -11.446 -38.145 24.817 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -3.827 -38.015 27.452 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -4.123 -38.181 26.557 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -2.896 -38.235 27.442 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 0.793 -32.642 25.342 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -0.108 -32.459 25.074 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 0.827 -32.383 26.263 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 6.488 -34.597 26.546 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 5.636 -34.359 26.179 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 7.078 -34.614 25.793 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 4.820 -31.611 14.174 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 4.447 -32.437 14.484 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 5.097 -31.794 13.277 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 1.980 -36.803 21.196 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 1.052 -37.035 21.169 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 2.431 -37.580 20.866 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -9.722 -37.613 11.916 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -9.106 -36.986 12.295 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -10.584 -37.297 12.187 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 6.716 -29.155 12.196 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 7.459 -28.569 12.056 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 6.021 -28.587 12.529 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 3.078 -34.962 14.221 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 2.801 -35.690 14.777 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 4.005 -34.843 14.427 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -8.307 -35.700 13.408 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -8.993 -35.348 13.975 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -7.784 -34.937 13.162 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -1.955 -40.672 24.804 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -1.836 -40.098 25.561 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -1.300 -41.360 24.919 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 2.851 -39.014 19.735 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 2.054 -39.429 19.406 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 3.296 -39.705 20.226 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.691 -33.086 12.305 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -7.099 -32.387 12.581 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -7.232 -33.519 11.586 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.375 -40.422 11.421 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.420 -39.483 11.600 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -10.263 -40.658 11.151 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -6.100 -34.933 10.671 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -6.036 -35.727 11.202 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -5.447 -35.052 9.982 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -3.786 -35.307 27.972 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -4.114 -35.036 27.114 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -3.634 -36.248 27.884 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -0.748 -33.886 10.407 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -1.016 -33.706 11.308 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -0.954 -34.812 10.276 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 1.949 -35.391 25.355 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 2.694 -34.803 25.235 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 1.192 -34.809 25.418 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -9.609 -38.077 27.959 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -9.201 -38.934 27.838 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -9.869 -38.062 28.880 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -4.951 -36.961 12.977 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -5.410 -37.445 13.663 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -4.696 -37.629 12.341 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -5.662 -39.068 25.333 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -6.280 -38.393 25.614 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -5.318 -38.747 24.500 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -0.642 -36.597 28.611 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 0.311 -36.513 28.583 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -0.802 -37.308 29.230 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 5.510 -36.363 10.685 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 5.237 -36.788 9.872 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 5.550 -35.432 10.468 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -3.328 -37.904 24.148 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -2.577 -38.060 23.575 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -3.667 -37.052 23.872 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 4.668 -33.751 29.146 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 3.802 -33.856 29.540 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 5.044 -32.992 29.593 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 5.969 -35.494 14.660 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 6.819 -35.073 14.788 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 5.974 -36.234 15.268 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 6.122 -34.656 21.432 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 6.956 -35.034 21.151 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 6.234 -33.713 21.313 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 4.609 -31.778 23.739 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 3.961 -31.453 24.364 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 4.091 -32.218 23.064 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -10.815 -36.842 21.057 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -10.631 -36.924 20.122 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -9.966 -36.966 21.481 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 4.590 -30.487 27.316 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 3.808 -30.673 26.796 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 4.518 -29.558 27.533 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -7.635 -33.281 39.749 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -8.005 -34.083 39.380 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -6.694 -33.450 39.796 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -0.110 -29.302 38.135 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 0.510 -29.979 37.862 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -0.318 -29.520 39.043 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -0.063 -34.000 35.245 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -0.359 -34.322 34.394 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -0.387 -33.100 35.287 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -6.455 -33.860 42.776 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -6.461 -32.981 42.398 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -7.309 -33.943 43.201 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -10.334 -34.189 33.558 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -10.606 -33.960 32.669 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -10.289 -33.351 34.018 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.543 -30.786 36.896 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.968 -31.493 36.411 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 1.860 -29.985 36.479 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 2.702 -32.885 35.405 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 2.445 -33.575 34.793 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 2.773 -33.328 36.250 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -6.088 -36.517 36.489 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -6.418 -36.887 35.670 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -5.500 -37.187 36.835 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -4.721 -33.089 39.170 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -4.816 -33.667 38.413 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -3.992 -33.460 39.666 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -1.136 -31.248 35.726 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -0.662 -30.953 36.504 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -1.699 -30.510 35.493 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -6.602 -31.277 45.603 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -6.594 -31.413 44.655 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -7.518 -31.395 45.855 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 6.026 -31.869 30.481 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 6.099 -30.930 30.651 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 6.931 -32.174 30.424 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -11.005 -35.084 42.893 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -11.506 -35.112 42.078 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -10.999 -35.990 43.203 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -8.756 -33.761 43.936 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -8.539 -34.122 44.796 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -9.611 -34.135 43.726 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -2.977 -35.288 33.011 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -3.721 -35.795 32.688 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -3.111 -35.239 33.957 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -7.852 -35.993 38.780 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -7.107 -35.995 38.179 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -7.774 -36.817 39.262 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -0.851 -33.829 32.036 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -1.146 -33.003 32.418 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -1.554 -34.449 32.232 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 4.820 -31.611 33.030 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 4.447 -32.437 33.340 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 5.097 -31.794 32.133 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -5.477 -32.475 36.185 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -4.950 -31.702 35.984 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -6.357 -32.250 35.883 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -9.722 -37.613 30.772 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -9.106 -36.986 31.151 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -10.584 -37.297 31.043 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -4.050 -34.812 35.761 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -4.291 -33.887 35.803 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -4.790 -35.271 36.157 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -3.535 -30.663 42.076 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -3.172 -29.808 41.843 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -3.003 -30.955 42.817 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 2.212 -33.635 30.851 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 2.565 -34.015 31.655 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 1.263 -33.728 30.937 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 6.716 -29.155 31.052 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 7.459 -28.569 30.912 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 6.021 -28.587 31.385 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -8.307 -35.700 32.264 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -8.993 -35.348 32.831 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -7.784 -34.937 32.018 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -10.348 -29.087 46.441 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -9.808 -29.304 47.200 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -10.829 -29.893 46.251 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 2.945 -30.843 29.670 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 3.228 -31.637 30.123 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 3.685 -30.610 29.109 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -0.748 -33.886 29.263 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -1.016 -33.706 30.164 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -0.954 -34.812 29.132 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -4.951 -36.961 31.833 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -5.410 -37.445 32.519 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -4.696 -37.629 31.197 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -3.880 -38.718 30.096 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -4.060 -38.872 29.168 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -2.929 -38.610 30.140 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 5.510 -36.363 29.541 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 5.237 -36.788 28.728 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 5.550 -35.432 29.324 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -10.815 -36.842 39.913 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -10.631 -36.924 38.978 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -9.966 -36.966 40.337 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 3.392 -29.018 36.014 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 4.045 -29.365 35.406 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 3.903 -28.529 36.660 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -9.223 -32.089 46.557 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -10.044 -31.914 46.097 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -9.475 -32.162 47.478 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -6.269 -31.114 42.816 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -6.694 -30.305 42.533 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -5.364 -31.029 42.514 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -1.689 -28.370 41.069 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -2.146 -27.841 40.415 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -1.526 -27.767 41.794 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -4.774 -30.055 39.277 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -4.561 -30.943 38.990 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -4.709 -30.089 40.232 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 5.372 -29.238 34.022 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 5.178 -29.986 33.457 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 5.333 -28.480 33.438 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 0.140 -17.745 -20.366 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 0.229 -16.801 -20.498 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -0.499 -18.020 -21.024 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -8.559 -18.875 -15.354 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -8.517 -19.501 -14.630 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -7.856 -18.252 -15.172 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 2.779 -15.551 -18.645 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 2.338 -16.271 -18.195 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 2.766 -14.830 -18.015 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -7.635 -14.425 -16.819 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -8.005 -15.227 -17.188 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -6.694 -14.594 -16.772 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -0.110 -10.446 -18.433 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 0.510 -11.123 -18.706 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -0.318 -10.664 -17.525 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 0.603 -21.663 -16.213 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 0.746 -22.610 -16.193 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 0.497 -21.456 -17.142 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -4.466 -19.615 -18.963 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -3.850 -20.141 -18.454 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -5.052 -20.255 -19.367 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -0.063 -15.144 -21.323 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -0.359 -15.466 -22.174 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -0.387 -14.244 -21.281 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -4.863 -16.968 -14.579 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -5.603 -16.370 -14.476 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -4.149 -16.414 -14.895 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 1.543 -11.930 -19.672 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 1.968 -12.637 -20.157 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 1.860 -11.129 -20.089 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 2.702 -14.029 -21.163 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 2.445 -14.719 -21.775 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 2.773 -14.472 -20.318 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 6.230 -19.123 -14.620 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 5.578 -18.428 -14.531 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 6.695 -18.913 -15.430 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 2.267 -18.291 -21.962 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 1.535 -18.063 -21.389 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 2.714 -19.005 -21.507 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 2.164 -20.117 -12.894 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 2.244 -19.354 -12.322 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 1.563 -19.838 -13.585 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.088 -17.661 -20.079 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -6.418 -18.031 -20.898 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -5.500 -18.331 -19.733 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -5.721 -18.892 -16.446 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -5.156 -18.771 -17.209 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -5.402 -18.255 -15.807 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -7.921 -18.295 -12.500 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -7.851 -17.644 -11.802 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -8.812 -18.192 -12.835 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -1.136 -12.392 -20.842 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -0.662 -12.097 -20.064 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -1.699 -11.654 -21.075 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -11.005 -16.228 -13.675 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -11.506 -16.256 -14.490 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -10.999 -17.134 -13.365 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -11.254 -13.448 -16.791 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -10.308 -13.592 -16.810 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -11.367 -12.664 -16.254 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -8.010 -10.647 -20.646 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -7.858 -10.995 -19.767 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -8.861 -11.003 -20.901 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 1.107 -10.356 -22.675 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 0.172 -10.256 -22.496 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 1.387 -11.065 -22.097 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 4.095 -21.289 -10.629 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 3.688 -20.808 -11.349 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 4.136 -22.194 -10.936 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 1.852 -22.957 -12.408 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 1.338 -23.083 -11.611 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 1.697 -22.045 -12.653 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -6.046 -21.469 -15.541 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -6.688 -21.510 -14.832 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -6.009 -20.543 -15.779 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 0.491 -21.386 -18.998 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 0.296 -20.781 -19.713 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 0.673 -22.220 -19.433 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -8.296 -21.149 -13.674 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -8.334 -20.749 -12.806 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -8.787 -21.966 -13.584 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -0.245 -19.748 -14.327 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 0.079 -20.379 -14.970 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -0.685 -20.283 -13.666 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 4.225 -8.914 -10.002 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 4.425 -8.490 -10.837 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 4.881 -8.571 -9.395 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -2.147 -21.033 -17.656 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -1.583 -21.580 -18.203 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -2.295 -21.555 -16.867 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -3.521 -22.645 -15.242 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -4.356 -22.191 -15.132 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -2.997 -22.369 -14.490 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -7.852 -17.137 -17.788 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -7.107 -17.139 -18.389 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -7.774 -17.961 -17.306 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -10.844 -18.676 -12.473 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -10.621 -19.094 -11.641 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -11.446 -19.289 -12.895 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 6.488 -15.741 -11.166 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 5.636 -15.503 -11.533 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 7.078 -15.758 -11.919 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -5.477 -13.619 -20.383 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -4.950 -12.846 -20.584 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -6.357 -13.394 -20.685 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -4.050 -15.956 -20.807 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -4.291 -15.031 -20.765 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -4.790 -16.415 -20.411 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -0.475 -24.182 -14.025 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 0.223 -24.108 -13.375 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -0.856 -25.046 -13.870 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -1.955 -21.816 -12.908 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -1.836 -21.242 -12.151 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -1.300 -22.504 -12.793 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 2.851 -20.158 -17.977 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 2.054 -20.573 -18.306 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 3.296 -20.849 -17.486 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -9.609 -19.221 -9.753 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -9.201 -20.078 -9.874 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -9.869 -19.206 -8.832 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -5.662 -20.212 -12.379 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -6.280 -19.537 -12.098 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -5.318 -19.891 -13.212 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.322 -22.857 -11.296 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -5.172 -23.586 -11.899 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.320 -22.080 -11.855 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -4.910 -24.487 -13.804 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -4.374 -24.036 -14.456 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -5.762 -24.595 -14.226 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 1.088 -21.233 -8.536 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 1.280 -22.164 -8.647 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 1.945 -20.808 -8.546 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 2.404 -18.444 -10.458 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 2.123 -17.735 -11.036 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 3.347 -18.517 -10.609 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -6.844 -21.659 -9.385 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -7.611 -22.191 -9.595 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -6.165 -21.969 -9.984 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -2.840 -22.709 -9.809 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -3.076 -22.929 -8.907 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -3.623 -22.916 -10.318 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -0.124 -23.582 -10.733 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -1.072 -23.550 -10.601 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 0.188 -24.207 -10.079 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 1.510 -24.948 -8.728 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 1.413 -25.900 -8.734 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 1.188 -24.679 -7.867 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -10.895 -11.061 -19.106 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -11.229 -11.942 -18.934 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -10.673 -10.716 -18.242 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 4.668 -14.895 -8.566 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 3.802 -15.000 -8.172 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 5.044 -14.136 -8.119 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -10.815 -17.986 -16.655 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -10.631 -18.068 -17.590 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -9.966 -18.110 -16.231 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 5.006 -18.094 -11.026 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 5.589 -18.828 -10.835 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 5.570 -17.322 -10.980 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 6.503 -20.191 -10.342 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 5.640 -20.570 -10.507 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 7.107 -20.930 -10.416 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 4.501 -21.163 -13.991 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 3.658 -20.895 -13.625 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 4.944 -20.341 -14.202 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 3.392 -10.162 -20.554 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 4.045 -10.509 -21.162 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 3.903 -9.673 -19.908 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 0.387 -9.574 -11.549 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 1.064 -10.206 -11.789 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 0.709 -9.172 -10.741 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -9.452 -10.379 -16.794 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -9.471 -10.804 -15.937 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -8.647 -10.697 -17.203 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -7.311 -11.669 -18.139 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -7.530 -12.585 -17.970 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -6.487 -11.529 -17.673 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -4.774 -11.199 -17.291 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -4.561 -12.087 -17.578 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -4.709 -11.233 -16.336 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 5.372 -10.382 -22.546 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 5.178 -11.130 -23.111 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 5.333 -9.624 -23.130 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 0.140 -17.745 -1.510 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 0.229 -16.801 -1.642 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.499 -18.020 -2.168 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -11.025 -20.765 -2.570 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -11.473 -19.919 -2.588 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -11.586 -21.345 -3.085 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -0.110 -10.446 0.423 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 0.510 -11.123 0.150 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -0.318 -10.664 1.331 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 6.125 -24.456 3.176 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 6.174 -23.846 3.912 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 6.551 -23.995 2.453 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -6.242 -23.562 -0.085 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -6.199 -22.702 -0.503 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -6.700 -24.114 -0.718 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 1.480 -23.431 -1.684 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 2.126 -23.760 -1.059 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 1.990 -22.913 -2.307 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -4.466 -19.615 -0.107 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -3.850 -20.141 0.402 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -5.052 -20.255 -0.511 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -0.063 -15.144 -2.467 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -0.359 -15.466 -3.318 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -0.387 -14.244 -2.425 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 3.244 -24.140 0.297 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 3.029 -24.906 0.829 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 3.900 -23.668 0.810 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -10.334 -15.333 -4.154 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -10.606 -15.104 -5.043 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -10.289 -14.495 -3.694 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -3.406 -27.338 1.442 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.523 -28.287 1.388 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -4.261 -27.006 1.715 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 1.543 -11.930 -0.816 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 1.968 -12.637 -1.301 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 1.860 -11.129 -1.233 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 2.702 -14.029 -2.307 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 2.445 -14.719 -2.919 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 2.773 -14.472 -1.462 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -1.139 -18.501 -4.058 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -1.851 -17.966 -4.409 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -0.448 -18.445 -4.718 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 2.267 -18.291 -3.106 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 1.535 -18.063 -2.533 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 2.714 -19.005 -2.651 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 1.138 -19.129 -5.421 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 1.717 -18.979 -4.674 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 1.552 -18.658 -6.144 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -1.136 -12.392 -1.986 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -0.662 -12.097 -1.208 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -1.699 -11.654 -2.219 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 6.026 -13.013 -7.231 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 6.099 -12.074 -7.061 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 6.931 -13.318 -7.288 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 1.438 -10.282 -6.568 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 1.813 -11.026 -7.039 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 1.442 -10.552 -5.650 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 1.107 -10.356 -3.819 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 0.172 -10.256 -3.640 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 1.387 -11.065 -3.241 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 2.615 -18.096 -7.791 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 2.657 -18.319 -8.721 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 3.464 -17.698 -7.601 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -1.812 -24.220 -7.121 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -2.066 -24.201 -6.198 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -2.069 -25.092 -7.422 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -6.049 -21.248 -1.773 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -6.942 -21.589 -1.832 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -5.598 -21.625 -2.529 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -0.513 -20.832 -2.956 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -0.922 -20.017 -3.248 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 0.207 -20.972 -3.571 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 0.491 -21.386 -0.142 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 0.296 -20.781 -0.857 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 0.673 -22.220 -0.577 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -4.930 -23.775 -8.020 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -5.361 -24.220 -7.290 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -5.648 -23.403 -8.532 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -11.688 -24.033 -0.968 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -11.057 -24.062 -0.248 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -11.238 -24.458 -1.698 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -3.467 -23.821 -0.687 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -4.378 -23.764 -0.398 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -2.962 -23.881 0.124 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -8.639 -22.192 -1.860 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -9.528 -22.092 -2.200 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -8.343 -23.034 -2.206 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -4.986 -22.192 -4.204 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -4.054 -22.063 -4.026 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -5.201 -21.522 -4.853 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 0.938 -24.586 2.577 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 0.261 -24.455 3.241 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 0.452 -24.741 1.767 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -6.312 -20.997 -6.637 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -6.854 -21.377 -7.328 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -5.478 -20.803 -7.066 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 4.225 -8.914 8.854 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 4.425 -8.490 8.019 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 4.881 -8.571 9.461 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -7.145 -24.897 -2.382 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -7.462 -25.799 -2.417 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -6.364 -24.895 -2.934 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 0.921 -23.618 -6.502 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -0.017 -23.506 -6.653 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 1.218 -22.761 -6.196 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 1.639 -21.751 -4.841 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 2.531 -21.888 -4.522 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 1.696 -20.960 -5.378 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -0.851 -14.973 -5.676 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -1.146 -14.147 -5.294 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -1.554 -15.593 -5.480 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -9.722 -18.757 -6.940 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -9.106 -18.130 -6.561 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -10.584 -18.441 -6.669 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 2.212 -14.779 -6.861 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 2.565 -15.159 -6.057 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 1.263 -14.872 -6.775 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 6.716 -10.299 -6.660 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 7.459 -9.713 -6.800 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 6.021 -9.731 -6.327 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 3.078 -16.106 -4.635 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 2.801 -16.834 -4.079 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 4.005 -15.987 -4.429 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -8.307 -16.844 -5.448 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -8.993 -16.492 -4.881 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -7.784 -16.081 -5.694 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -2.491 -22.802 -3.237 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -1.679 -22.298 -3.191 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -2.736 -22.947 -2.323 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 2.851 -20.158 0.879 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 2.054 -20.573 0.550 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 3.296 -20.849 1.370 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 3.938 -10.902 2.501 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 3.782 -10.224 1.844 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 4.870 -10.830 2.704 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 2.945 -11.987 -8.042 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 3.228 -12.781 -7.589 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 3.685 -11.754 -8.603 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -4.951 -18.105 -5.879 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -5.410 -18.589 -5.193 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -4.696 -18.773 -6.515 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 5.510 -17.507 -8.171 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 5.237 -17.932 -8.984 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 5.550 -16.576 -8.388 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -10.414 -14.535 -7.132 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -9.500 -14.456 -6.859 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -10.407 -15.222 -7.799 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 6.654 -10.252 2.730 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 6.632 -10.067 3.669 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 7.344 -9.683 2.389 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 6.363 -18.585 -2.372 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 5.637 -19.064 -1.974 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 6.944 -18.379 -1.640 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 4.150 -20.064 -1.809 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 4.000 -21.009 -1.829 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 3.796 -19.783 -0.965 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -11.379 -25.146 -3.643 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -12.304 -24.937 -3.773 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -10.925 -24.662 -4.333 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 3.392 -10.162 -1.698 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 4.045 -10.509 -2.306 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 3.903 -9.673 -1.052 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -8.867 -9.002 5.151 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -9.587 -8.562 4.700 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -9.233 -9.253 6.000 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 3.243 -9.066 4.597 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 3.061 -8.150 4.386 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 3.419 -9.476 3.750 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -1.265 -25.535 0.710 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -1.940 -26.164 0.965 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -0.701 -26.019 0.107 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 3.877 -27.428 0.822 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 4.481 -26.880 0.321 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 3.008 -27.108 0.582 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 5.604 -26.289 -0.844 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 6.216 -26.803 -1.371 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 5.987 -25.411 -0.821 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -8.939 -26.901 -1.468 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -9.716 -27.135 -1.976 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -8.408 -27.698 -1.460 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -4.359 -26.974 -1.655 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -3.485 -26.586 -1.685 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -4.495 -27.189 -0.732 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 1.198 -26.944 -0.006 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 1.274 -26.849 -0.955 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 0.922 -27.852 0.123 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 4.388 -15.463 25.026 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 4.528 -16.054 24.287 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 4.556 -14.590 24.670 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 6.026 -13.013 11.625 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 6.099 -12.074 11.795 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 6.931 -13.318 11.568 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 6.943 -12.782 26.603 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 6.894 -13.737 26.566 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 6.117 -12.514 27.005 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -8.756 -14.905 25.080 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -8.539 -15.266 25.940 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -9.611 -15.279 24.870 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 4.225 -8.914 27.710 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 4.425 -8.490 26.875 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 4.881 -8.571 28.317 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 6.488 -15.741 26.546 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 5.636 -15.503 26.179 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 7.078 -15.758 25.793 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 6.716 -10.299 12.196 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 7.459 -9.713 12.056 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.021 -9.731 12.529 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -9.559 -12.118 23.232 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -9.342 -13.050 23.201 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -9.312 -11.844 24.116 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -10.348 -10.231 27.585 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -9.808 -10.448 28.344 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -10.829 -11.037 27.395 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -10.441 -16.421 28.539 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -10.297 -17.323 28.253 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -11.214 -16.135 28.051 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 6.217 -10.685 24.508 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 5.730 -11.420 24.137 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 6.766 -11.078 25.186 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 4.668 -14.895 29.146 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 3.802 -15.000 29.540 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 5.044 -14.136 29.593 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 6.122 -15.800 21.432 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 6.956 -16.178 21.151 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 6.234 -14.857 21.313 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -9.223 -13.233 27.701 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -10.044 -13.058 27.241 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -9.475 -13.306 28.622 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -8.867 -9.002 24.007 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -9.587 -8.562 23.556 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -9.233 -9.253 24.856 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -9.452 -10.379 20.918 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -9.471 -10.804 21.775 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -8.647 -10.697 20.509 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 4.590 -11.631 27.316 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 3.808 -11.817 26.796 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 4.518 -10.702 27.533 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 0.140 -17.745 36.202 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 0.229 -16.801 36.070 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -0.499 -18.020 35.544 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -0.927 -18.490 39.621 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -0.965 -19.136 40.326 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -1.250 -18.956 38.850 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -10.315 -18.603 37.268 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -10.101 -19.373 37.795 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -9.577 -18.514 36.665 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 0.603 -21.663 40.355 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 0.746 -22.610 40.375 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 0.497 -21.456 39.426 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.242 -23.562 37.627 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -6.199 -22.702 37.209 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -6.700 -24.114 36.994 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 1.480 -23.431 36.028 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 2.126 -23.760 36.653 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 1.990 -22.913 35.405 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -9.622 -21.165 38.389 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -8.968 -21.715 38.821 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -9.598 -21.439 37.473 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -4.466 -19.615 37.605 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -3.850 -20.141 38.114 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -5.052 -20.255 37.201 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -7.432 -24.644 41.701 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -7.651 -24.114 40.935 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -8.100 -24.417 42.349 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -0.063 -15.144 35.245 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -0.359 -15.466 34.394 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -0.387 -14.244 35.287 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 3.244 -24.140 38.009 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 3.029 -24.906 38.541 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 3.900 -23.668 38.522 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -7.838 -22.752 39.654 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -7.225 -22.119 40.027 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -7.326 -23.224 38.997 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -10.334 -15.333 33.558 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -10.606 -15.104 32.669 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -10.289 -14.495 34.018 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -3.406 -27.338 39.154 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -3.523 -28.287 39.100 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -4.261 -27.006 39.427 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 2.702 -14.029 35.405 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 2.445 -14.719 34.793 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 2.773 -14.472 36.250 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 2.267 -18.291 34.606 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 1.535 -18.063 35.179 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 2.714 -19.005 35.061 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -6.088 -17.661 36.489 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -6.418 -18.031 35.670 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -5.500 -18.331 36.835 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -5.721 -18.892 40.122 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -5.156 -18.771 39.359 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -5.402 -18.255 40.761 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -7.098 -18.591 34.078 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -7.390 -17.823 33.587 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -7.772 -19.251 33.915 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 6.026 -13.013 30.481 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 6.099 -12.074 30.651 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 6.931 -13.318 30.424 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -1.664 -9.436 34.141 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -1.739 -9.557 33.195 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -1.631 -8.486 34.260 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 1.438 -10.282 31.144 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 1.813 -11.026 30.673 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 1.442 -10.552 32.062 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 1.107 -10.356 33.893 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 0.172 -10.256 34.072 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 1.387 -11.065 34.471 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -6.046 -21.469 41.027 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -6.688 -21.510 41.736 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -6.009 -20.543 40.789 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 0.491 -21.386 37.570 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 0.296 -20.781 36.855 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 0.673 -22.220 37.135 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -11.688 -24.033 36.744 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -11.057 -24.062 37.464 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -11.238 -24.458 36.014 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -8.639 -22.192 35.852 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -9.528 -22.092 35.512 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -8.343 -23.034 35.506 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 0.938 -24.586 40.289 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 0.261 -24.455 40.953 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 0.452 -24.741 39.479 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -2.147 -21.033 38.912 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -1.583 -21.580 38.365 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -2.295 -21.555 39.701 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -3.521 -22.645 41.326 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -4.356 -22.191 41.436 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -2.997 -22.369 42.078 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -2.977 -16.432 33.011 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -3.721 -16.939 32.688 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -3.111 -16.383 33.957 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -0.851 -14.973 32.036 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -1.146 -14.147 32.418 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -1.554 -15.593 32.232 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 6.524 -21.541 32.565 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 5.970 -21.937 31.893 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 6.625 -20.631 32.288 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 4.820 -12.755 33.030 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 4.447 -13.581 33.340 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 5.097 -12.938 32.133 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -4.050 -15.956 35.761 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -4.291 -15.031 35.803 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -4.790 -16.415 36.157 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -5.366 -10.934 35.306 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -6.316 -10.829 35.358 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -5.015 -10.114 35.651 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -9.210 -23.923 43.653 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -10.103 -23.584 43.586 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -9.309 -24.778 44.071 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.078 -16.106 33.077 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 2.801 -16.834 33.633 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 4.005 -15.987 33.283 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -4.760 -14.097 31.754 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -4.613 -14.617 32.544 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -4.763 -13.190 32.060 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -8.307 -16.844 32.264 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -8.993 -16.492 32.831 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -7.784 -16.081 32.018 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -2.022 -12.399 32.503 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -2.839 -11.902 32.556 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -1.493 -11.924 31.863 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -4.684 -11.356 32.485 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -4.523 -10.556 31.984 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -4.881 -11.049 33.370 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 2.851 -20.158 38.591 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 2.054 -20.573 38.262 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 3.296 -20.849 39.082 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -7.691 -14.230 31.161 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -7.099 -13.531 31.437 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -7.232 -14.663 30.442 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 2.945 -11.987 29.670 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 3.228 -12.781 30.123 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 3.685 -11.754 29.109 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -6.100 -16.077 29.527 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -6.036 -16.871 30.058 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -5.447 -16.196 28.838 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -4.951 -18.105 31.833 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -5.410 -18.589 32.519 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -4.696 -18.773 31.197 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 5.510 -17.507 29.541 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 5.237 -17.932 28.728 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 5.550 -16.576 29.324 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -4.910 -24.487 42.764 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -4.374 -24.036 42.112 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -5.762 -24.595 42.342 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -4.104 -27.031 43.196 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -4.202 -26.084 43.090 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -4.847 -27.403 42.720 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -10.414 -14.535 30.580 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -9.500 -14.456 30.853 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -10.407 -15.222 29.913 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 5.969 -16.638 33.516 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 6.819 -16.217 33.644 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 5.974 -17.378 34.124 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 6.363 -18.585 35.340 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 5.637 -19.064 35.738 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 6.944 -18.379 36.072 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 6.631 -18.684 31.731 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 6.110 -18.327 31.012 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 6.598 -18.009 32.409 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 4.980 -21.444 30.282 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 5.077 -20.777 29.602 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 4.840 -22.260 29.800 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 4.150 -20.064 35.903 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 4.000 -21.009 35.883 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 3.796 -19.783 36.747 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 3.860 -22.481 34.365 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 4.140 -23.388 34.490 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 4.619 -22.047 33.976 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 4.474 -25.218 34.414 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 4.656 -25.667 35.239 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 3.874 -25.803 33.950 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -11.692 -21.404 40.014 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -11.200 -21.625 39.224 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -11.330 -20.563 40.295 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 6.340 -25.151 30.942 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 6.753 -25.872 30.466 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 7.022 -24.481 31.000 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -1.265 -25.535 38.422 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -1.940 -26.164 38.677 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -0.701 -26.019 37.819 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 3.877 -27.428 38.534 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 4.481 -26.880 38.033 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 3.008 -27.108 38.294 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 5.604 -26.289 36.868 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 6.216 -26.803 36.341 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 5.987 -25.411 36.891 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 1.198 -26.944 37.706 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 1.274 -26.849 36.757 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 0.922 -27.852 37.835 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -1.337 -9.945 31.342 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -0.471 -9.579 31.164 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -1.584 -10.385 30.529 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -8.981 -26.387 45.761 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -9.347 -27.152 46.204 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -8.068 -26.358 46.048 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -8.383 -10.235 29.970 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -8.651 -9.948 30.843 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -7.612 -10.781 30.122 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -8.559 -0.019 -15.354 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -8.517 -0.645 -14.630 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -7.856 0.604 -15.172 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 0.603 -2.807 -16.213 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 0.746 -3.754 -16.193 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 0.497 -2.600 -17.142 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -6.242 -4.706 -18.941 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -6.199 -3.846 -19.359 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -6.700 -5.258 -19.574 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 1.480 -4.575 -20.540 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 2.126 -4.904 -19.915 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 1.990 -4.057 -21.163 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 6.517 -4.122 -13.444 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 5.828 -3.464 -13.539 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 6.532 -4.319 -12.507 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -7.432 -5.788 -14.867 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -7.651 -5.258 -15.633 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -8.100 -5.561 -14.219 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -4.863 1.888 -14.579 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -5.603 2.486 -14.476 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -4.149 2.442 -14.895 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -7.838 -3.896 -16.914 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -7.225 -3.263 -16.541 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -7.326 -4.368 -17.571 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -3.406 -8.482 -17.414 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -3.523 -9.431 -17.468 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -4.261 -8.150 -17.141 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 6.230 -0.267 -14.620 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 5.578 0.428 -14.531 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 6.695 -0.057 -15.430 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.164 -1.261 -12.894 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 2.244 -0.498 -12.322 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 1.563 -0.982 -13.585 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.721 -0.036 -16.446 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -5.156 0.085 -17.209 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -5.402 0.601 -15.807 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -7.921 0.561 -12.500 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -7.851 1.212 -11.802 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.812 0.664 -12.835 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 4.095 -2.433 -10.629 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 3.688 -1.952 -11.349 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 4.136 -3.338 -10.936 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -6.137 -7.579 -16.636 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -6.998 -7.666 -17.044 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -6.159 -6.723 -16.209 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 1.852 -4.101 -12.408 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 1.338 -4.227 -11.611 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 1.697 -3.189 -12.653 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -6.046 -2.613 -15.541 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -6.688 -2.654 -14.832 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -6.009 -1.687 -15.779 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 0.491 -2.530 -18.998 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 0.296 -1.925 -19.713 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 0.673 -3.364 -19.433 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -8.296 -2.293 -13.674 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -8.334 -1.893 -12.806 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -8.787 -3.110 -13.584 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -0.245 -0.892 -14.327 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 0.079 -1.523 -14.970 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -0.685 -1.427 -13.666 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -3.467 -4.965 -19.543 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -4.378 -4.908 -19.254 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -2.962 -5.025 -18.732 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -8.177 2.416 -10.394 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -7.444 2.670 -9.833 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -8.957 2.620 -9.879 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -2.147 -2.177 -17.656 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -1.583 -2.724 -18.203 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -2.295 -2.699 -16.867 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -3.521 -3.789 -15.242 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -4.356 -3.335 -15.132 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -2.997 -3.513 -14.490 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -1.457 2.608 -12.320 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -1.803 2.227 -11.514 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -1.657 3.542 -12.249 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -10.844 0.180 -12.473 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -10.621 -0.238 -11.641 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -11.446 -0.433 -12.895 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -0.475 -5.326 -14.025 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 0.223 -5.252 -13.375 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -0.856 -6.190 -13.870 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 0.309 -5.674 -22.928 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 0.529 -5.202 -23.731 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 0.867 -5.279 -22.257 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -1.607 -6.865 -21.155 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -1.954 -6.247 -20.510 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -0.949 -6.364 -21.636 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 4.249 -5.053 -12.073 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 3.333 -4.790 -12.161 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 4.585 -5.056 -12.970 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 2.851 -1.302 -17.977 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 2.054 -1.717 -18.306 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.296 -1.993 -17.486 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -8.567 -7.928 -17.618 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -8.796 -7.869 -18.545 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -9.010 -8.720 -17.311 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.441 2.435 -9.173 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -10.297 1.533 -9.459 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -11.214 2.721 -9.661 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -3.786 2.405 -9.740 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -4.114 2.676 -10.598 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -3.634 1.464 -9.828 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -9.609 -0.365 -9.753 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -9.201 -1.222 -9.874 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -9.869 -0.350 -8.832 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -0.642 1.115 -9.101 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 0.311 1.199 -9.129 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -0.802 0.404 -8.482 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -3.328 -0.192 -13.564 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -2.577 -0.348 -14.137 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -3.667 0.660 -13.840 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 1.088 -2.377 -8.536 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 1.280 -3.308 -8.647 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 1.945 -1.952 -8.546 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -0.124 -4.726 -10.733 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -1.072 -4.694 -10.601 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 0.188 -5.351 -10.079 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 1.510 -6.092 -8.728 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 1.413 -7.044 -8.734 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 1.188 -5.823 -7.867 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 4.150 -1.208 -20.665 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 4.000 -2.153 -20.685 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 3.796 -0.927 -19.821 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 3.860 -3.625 -22.203 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 4.140 -4.532 -22.078 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 4.619 -3.191 -22.592 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 4.472 -3.044 -16.767 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 5.405 -2.832 -16.801 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 4.237 -2.942 -15.844 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 4.501 -2.307 -13.991 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 3.658 -2.039 -13.625 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 4.944 -1.485 -14.202 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 6.784 -8.327 -8.637 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 7.134 -8.981 -9.243 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 6.931 -7.490 -9.077 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 4.474 -6.362 -22.154 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 4.656 -6.811 -21.329 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 3.874 -6.947 -22.618 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -9.996 -5.547 -17.623 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -9.551 -6.339 -17.321 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -9.530 -4.831 -17.192 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 6.304 -6.218 -10.288 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 5.387 -5.947 -10.324 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 6.427 -6.753 -11.072 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -11.415 -7.552 -14.155 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -12.080 -7.798 -13.512 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -11.858 -6.930 -14.732 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -1.265 -6.679 -18.146 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -1.940 -7.308 -17.891 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -0.701 -7.163 -18.749 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 2.551 -8.062 -23.169 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 1.848 -7.448 -23.379 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 2.106 -8.900 -23.038 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 1.414 -8.848 -9.089 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 1.490 -9.274 -8.235 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 2.307 -8.834 -9.431 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -10.315 0.253 -0.444 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -10.101 -0.517 0.083 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -9.577 0.342 -1.047 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -6.242 -4.706 -0.085 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -6.199 -3.846 -0.503 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -6.700 -5.258 -0.718 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -9.622 -2.309 0.677 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -8.968 -2.859 1.109 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -9.598 -2.583 -0.239 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -4.466 -0.759 -0.107 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -3.850 -1.285 0.402 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -5.052 -1.399 -0.511 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -7.432 -5.788 3.989 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -7.651 -5.258 3.223 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -8.100 -5.561 4.637 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -7.838 -3.896 1.942 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -7.225 -3.263 2.315 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -7.326 -4.368 1.285 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -10.334 3.523 -4.154 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -10.606 3.752 -5.043 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -10.289 4.361 -3.694 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 3.591 -6.569 3.976 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 2.855 -5.958 3.938 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 4.275 -6.154 3.450 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -3.406 -8.482 1.442 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -3.523 -9.431 1.388 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -4.261 -8.150 1.715 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -1.139 0.355 -4.058 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -1.851 0.890 -4.409 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -0.448 0.411 -4.718 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -1.085 -1.187 -7.019 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -0.384 -1.165 -6.368 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -0.783 -1.815 -7.675 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -6.088 1.195 -1.223 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.418 0.825 -2.042 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -5.500 0.525 -0.877 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -7.098 0.265 -3.634 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -7.390 1.033 -4.125 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -7.772 -0.395 -3.797 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -1.474 -7.857 5.594 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -1.054 -8.272 6.347 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -2.407 -8.035 5.711 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 1.852 -4.101 6.448 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 1.338 -4.227 7.245 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 1.697 -3.189 6.203 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -6.049 -2.392 -1.773 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -6.942 -2.733 -1.832 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -5.598 -2.769 -2.529 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -0.513 -1.976 -2.956 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -0.922 -1.161 -3.248 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 0.207 -2.116 -3.571 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -3.467 -4.965 -0.687 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -4.378 -4.908 -0.398 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -2.962 -5.025 0.124 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -4.986 -3.336 -4.204 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -4.054 -3.207 -4.026 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -5.201 -2.666 -4.853 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 0.938 -5.730 2.577 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 0.261 -5.599 3.241 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 0.452 -5.885 1.767 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -6.312 -2.141 -6.637 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -6.854 -2.521 -7.328 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -5.478 -1.947 -7.066 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 0.921 -4.762 -6.502 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -0.017 -4.650 -6.653 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 1.218 -3.905 -6.196 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 1.639 -2.895 -4.841 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 2.531 -3.032 -4.522 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 1.696 -2.104 -5.378 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -9.210 -5.067 5.941 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -10.103 -4.728 5.874 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -9.309 -5.922 6.359 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -8.307 2.012 -5.448 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -8.993 2.364 -4.881 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -7.784 2.775 -5.694 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -0.475 -5.326 4.831 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 0.223 -5.252 5.481 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -0.856 -6.190 4.986 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 0.309 -5.674 -4.072 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 0.529 -5.202 -4.875 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 0.867 -5.279 -3.401 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -2.491 -3.946 -3.237 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -1.679 -3.442 -3.191 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -2.736 -4.091 -2.323 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -1.607 -6.865 -2.299 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -1.954 -6.247 -1.654 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -0.949 -6.364 -2.780 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 4.249 -5.053 6.783 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 3.333 -4.790 6.695 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 4.585 -5.056 5.886 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -7.691 4.626 -6.551 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -7.099 5.325 -6.275 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -7.232 4.193 -7.270 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -6.100 2.779 -8.185 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -6.036 1.985 -7.654 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -5.447 2.660 -8.874 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -4.951 0.751 -5.879 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -5.410 0.267 -5.193 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -4.696 0.083 -6.515 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -4.910 -5.631 5.052 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -4.374 -5.180 4.400 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -5.762 -5.739 4.630 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 1.088 -2.377 10.320 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 1.280 -3.308 10.209 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 1.945 -1.952 10.310 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -4.104 -8.175 5.484 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -4.202 -7.228 5.378 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.847 -8.547 5.008 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -2.840 -3.853 9.047 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -3.076 -4.073 9.949 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -3.623 -4.060 8.538 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -0.124 -4.726 8.123 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -1.072 -4.694 8.255 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 0.188 -5.351 8.777 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -3.882 -8.881 8.155 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -3.170 -9.521 8.141 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -3.983 -8.614 7.241 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -3.529 -7.198 10.209 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -3.660 -7.674 9.388 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -4.128 -6.454 10.153 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -10.414 4.321 -7.132 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -9.500 4.400 -6.859 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -10.407 3.634 -7.799 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -10.815 0.870 2.201 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -10.631 0.788 1.266 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -9.966 0.746 2.625 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 4.228 -5.180 -8.313 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 4.838 -5.552 -7.676 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 3.391 -5.602 -8.117 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 6.784 -8.327 10.219 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 7.134 -8.981 9.613 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 6.931 -7.490 9.779 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -11.692 -2.548 2.302 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -11.200 -2.769 1.512 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -11.330 -1.707 2.583 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 6.304 -6.218 8.568 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 5.387 -5.947 8.532 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 6.427 -6.753 7.784 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -11.415 -7.552 4.701 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -12.080 -7.798 5.344 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -11.858 -6.930 4.124 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 5.305 -8.128 6.387 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 4.492 -7.803 5.999 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 5.538 -8.888 5.854 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -1.265 -6.679 0.710 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -1.940 -7.308 0.965 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -0.701 -7.163 0.107 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 3.877 -8.572 0.822 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 4.481 -8.024 0.321 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 3.008 -8.252 0.582 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 1.198 -8.088 -0.006 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 1.274 -7.993 -0.955 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 0.922 -8.996 0.123 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 2.551 -8.062 -4.313 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 1.848 -7.448 -4.523 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 2.106 -8.900 -4.182 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -8.981 -7.531 8.049 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -9.347 -8.296 8.492 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -8.068 -7.502 8.336 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -7.008 -8.180 9.585 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -6.109 -8.454 9.400 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -7.394 -8.923 10.049 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -0.927 0.366 20.765 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -0.965 -0.280 21.470 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -1.250 -0.100 19.994 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 6.125 -5.600 22.032 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 6.174 -4.990 22.768 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 6.551 -5.139 21.309 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 0.603 -2.807 21.499 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 0.746 -3.754 21.519 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 0.497 -2.600 20.570 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -6.242 -4.706 18.771 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -6.199 -3.846 18.353 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -6.700 -5.258 18.138 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 1.480 -4.575 17.172 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 2.126 -4.904 17.797 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 1.990 -4.057 16.549 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 6.517 -4.122 24.268 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 5.828 -3.464 24.173 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 6.532 -4.319 25.205 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -7.432 -5.788 22.845 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -7.651 -5.258 22.079 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -8.100 -5.561 23.493 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -7.838 -3.896 20.798 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -7.225 -3.263 21.171 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -7.326 -4.368 20.141 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 2.164 -1.261 24.818 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 2.244 -0.498 25.390 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 1.563 -0.982 24.127 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -6.137 -7.579 21.076 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -6.998 -7.666 20.668 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -6.159 -6.723 21.503 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 1.852 -4.101 25.304 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 1.338 -4.227 26.101 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 1.697 -3.189 25.059 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -1.812 -5.364 11.735 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -2.066 -5.345 12.658 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -2.069 -6.236 11.434 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -6.049 -2.392 17.083 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -6.942 -2.733 17.024 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -5.598 -2.769 16.327 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -0.513 -1.976 15.900 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -0.922 -1.161 15.608 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 0.207 -2.116 15.285 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -1.411 -1.801 27.388 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -1.974 -2.505 27.708 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -0.585 -1.921 27.855 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 0.491 -2.530 18.714 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 0.296 -1.925 17.999 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 0.673 -3.364 18.279 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -4.930 -4.919 10.836 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -5.361 -5.364 11.566 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -5.648 -4.547 10.324 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -11.688 -5.177 17.888 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -11.057 -5.206 18.608 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -11.238 -5.602 17.158 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -10.413 -4.431 13.312 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -9.939 -3.840 12.727 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -11.131 -3.900 13.659 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -0.245 -0.892 23.385 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 0.079 -1.523 22.742 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -0.685 -1.427 24.046 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -3.467 -4.965 18.169 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -4.378 -4.908 18.458 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -2.962 -5.025 18.980 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -8.639 -3.336 16.996 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -9.528 -3.236 16.656 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -8.343 -4.178 16.650 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -4.986 -3.336 14.652 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -4.054 -3.207 14.830 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -5.201 -2.666 14.003 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -2.147 -2.177 20.056 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -1.583 -2.724 19.509 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -2.295 -2.699 20.845 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -7.145 -6.041 16.474 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -7.462 -6.943 16.439 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -6.364 -6.039 15.922 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -3.521 -3.789 22.470 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -4.356 -3.335 22.580 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -2.997 -3.513 23.222 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 0.921 -4.762 12.354 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.017 -4.650 12.203 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 1.218 -3.905 12.660 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 1.639 -2.895 14.015 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 2.531 -3.032 14.334 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 1.696 -2.104 13.478 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 -9.210 -5.067 24.797 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -10.103 -4.728 24.730 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -9.309 -5.922 25.215 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -0.475 -5.326 23.687 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 0.223 -5.252 24.337 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -0.856 -6.190 23.842 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -2.491 -3.946 15.619 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -1.679 -3.442 15.665 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -2.736 -4.091 16.533 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -1.955 -2.960 24.804 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -1.836 -2.386 25.561 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -1.300 -3.648 24.919 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -5.950 -5.802 13.245 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -6.033 -4.913 13.591 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -5.060 -6.067 13.476 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 4.249 -5.053 25.639 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 3.333 -4.790 25.551 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 4.585 -5.056 24.742 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 2.851 -1.302 19.735 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 2.054 -1.717 19.406 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 3.296 -1.993 20.226 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -8.567 -7.928 20.094 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -8.796 -7.869 19.167 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -9.010 -8.720 20.401 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -5.322 -4.001 26.416 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -5.172 -4.730 25.813 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -5.320 -3.224 25.857 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -4.910 -5.631 23.908 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -4.374 -5.180 23.256 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -5.762 -5.739 23.486 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 1.088 -2.377 29.176 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 1.280 -3.308 29.065 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 1.945 -1.952 29.166 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -6.844 -2.803 28.327 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -7.611 -3.335 28.117 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -6.165 -3.113 27.728 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -2.840 -3.853 27.903 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -3.076 -4.073 28.805 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -3.623 -4.060 27.394 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -0.124 -4.726 26.979 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -1.072 -4.694 27.111 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 0.188 -5.351 27.633 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 1.510 -6.092 28.984 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 1.413 -7.044 28.978 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 1.188 -5.823 29.845 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -8.663 -4.882 28.032 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -8.452 -5.589 27.421 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -8.775 -5.320 28.876 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 4.980 -2.588 11.426 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 5.077 -1.921 10.746 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 4.840 -3.404 10.944 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 4.150 -1.208 17.047 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 4.000 -2.153 17.027 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 3.796 -0.927 17.891 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 4.228 -5.180 10.543 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 4.838 -5.552 11.180 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 3.391 -5.602 10.739 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 3.860 -3.625 15.509 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 4.140 -4.532 15.634 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 4.619 -3.191 15.120 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 4.472 -3.044 20.945 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 5.405 -2.832 20.911 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 4.237 -2.942 21.868 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 4.501 -2.307 23.721 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 3.658 -2.039 24.087 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 4.944 -1.485 23.510 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 6.784 -8.327 29.075 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 7.134 -8.981 28.469 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 6.931 -7.490 28.635 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 4.474 -6.362 15.558 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 4.656 -6.811 16.383 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 3.874 -6.947 15.094 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -9.996 -5.547 20.089 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -9.551 -6.339 20.391 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -9.530 -4.831 20.520 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 6.340 -6.295 12.086 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 6.753 -7.016 11.610 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 7.022 -5.625 12.144 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -11.379 -6.290 15.213 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -12.304 -6.081 15.083 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -10.925 -5.806 14.523 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -11.415 -7.552 23.557 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -12.080 -7.798 24.200 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -11.858 -6.930 22.980 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 5.305 -8.128 25.243 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 4.492 -7.803 24.855 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 5.538 -8.888 24.710 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -8.939 -8.045 17.388 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -9.716 -8.279 16.880 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -8.408 -8.842 17.396 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -10.102 -8.247 13.191 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -9.663 -7.636 12.600 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -10.736 -7.709 13.665 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 -8.241 -6.331 11.634 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -7.750 -6.961 11.106 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 -7.618 -6.035 12.297 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -3.215 -6.038 14.091 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -3.037 -6.684 14.774 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -3.269 -5.204 14.558 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 -8.981 -7.531 26.905 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 -9.347 -8.296 27.348 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 -8.068 -7.502 27.192 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 1.414 -8.848 28.623 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 1.490 -9.274 29.477 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 2.307 -8.834 28.281 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 -1.085 -1.187 30.693 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 -0.384 -1.165 31.344 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 -0.783 -1.815 30.037 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -1.812 -5.364 30.591 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -2.066 -5.345 31.514 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -2.069 -6.236 30.290 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 -4.930 -4.919 29.692 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 -5.361 -5.364 30.422 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 -5.648 -4.547 29.180 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 -4.986 -3.336 33.508 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 -4.054 -3.207 33.686 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 -5.201 -2.666 32.859 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 -6.312 -2.141 31.075 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 -6.854 -2.521 30.384 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 -5.478 -1.947 30.646 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 0.921 -4.762 31.210 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 -0.017 -4.650 31.059 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 1.218 -3.905 31.516 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 0.309 -5.674 33.640 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 0.529 -5.202 32.837 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 0.867 -5.279 34.311 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -2.491 -3.946 34.475 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -1.679 -3.442 34.521 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -2.736 -4.091 35.389 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 -1.607 -6.865 35.413 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 -1.954 -6.247 36.058 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 -0.949 -6.364 34.932 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 -5.950 -5.802 32.101 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 -6.033 -4.913 32.447 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 -5.060 -6.067 32.332 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 -3.880 -1.006 30.096 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 -4.060 -1.160 29.168 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 -2.929 -0.898 30.140 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 4.228 -5.180 29.399 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 4.838 -5.552 30.036 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 3.391 -5.602 29.595 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 -10.102 -8.247 32.047 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 -9.663 -7.636 31.456 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 -10.736 -7.709 32.521 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 2.551 -8.062 33.399 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 1.848 -7.448 33.189 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 2.106 -8.900 33.530 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 -8.241 -6.331 30.490 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 -7.750 -6.961 29.962 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 -7.618 -6.035 31.153 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 -3.215 -6.038 32.947 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 -3.037 -6.684 33.630 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 -3.269 -5.204 33.414 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 8.508 -29.087 8.729 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 9.048 -29.304 9.488 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 8.027 -29.893 8.539 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 9.989 -27.858 5.151 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 9.269 -27.418 4.700 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 9.623 -28.109 6.000 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 12.456 -28.258 4.181 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 11.591 -28.186 4.585 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 12.401 -27.711 3.397 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 11.221 -33.281 20.893 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.851 -34.083 20.524 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 12.162 -33.450 20.940 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 13.993 -35.824 23.133 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 13.253 -35.226 23.236 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 14.707 -35.270 22.817 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 12.401 -33.860 23.920 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 12.395 -32.981 23.542 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 11.547 -33.943 24.345 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 14.015 -33.349 25.983 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 13.703 -32.567 26.439 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 13.365 -33.502 25.297 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 10.935 -37.151 25.212 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.005 -36.500 25.910 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 10.044 -37.048 24.877 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 7.851 -35.084 24.037 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 7.350 -35.112 23.222 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 7.857 -35.990 24.347 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 7.602 -32.304 20.921 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.548 -32.448 20.902 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 7.489 -31.520 21.458 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 16.778 -32.064 25.479 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 16.865 -31.238 25.954 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 15.914 -32.394 25.728 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 10.846 -29.503 17.066 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 10.998 -29.851 17.945 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 9.995 -29.859 16.811 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.100 -33.761 25.080 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 10.317 -34.122 25.940 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 9.245 -34.135 24.870 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 10.679 -35.296 27.318 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.412 -35.042 27.879 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 9.899 -35.092 27.833 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.012 -37.532 25.239 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.235 -37.950 26.071 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.410 -38.145 24.817 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 15.321 -30.663 23.220 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 15.684 -29.808 22.987 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 15.853 -30.955 23.961 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 9.219 -31.700 16.255 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 8.387 -31.227 16.282 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.765 -31.190 15.656 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 8.415 -35.277 28.539 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 8.559 -36.179 28.253 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 7.642 -34.991 28.051 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 15.070 -35.307 27.972 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 14.742 -35.036 27.114 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 15.222 -36.248 27.884 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 9.247 -38.077 27.959 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 9.655 -38.934 27.838 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.987 -38.062 28.880 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 12.587 -31.114 23.960 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 12.162 -30.305 23.677 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 13.492 -31.029 23.658 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 16.898 -29.715 26.919 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 17.083 -30.049 27.797 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 17.745 -29.406 26.597 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 11.545 -30.525 19.573 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 11.326 -31.441 19.742 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 12.369 -30.385 20.039 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 14.082 -30.055 20.421 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 14.295 -30.943 20.134 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 14.147 -30.089 21.376 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.655 -30.011 14.089 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 7.970 -30.049 13.421 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 8.658 -29.098 14.377 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.473 -29.091 11.114 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.205 -28.804 11.987 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.244 -29.637 11.266 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.522 -34.189 33.558 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.250 -33.960 32.669 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 8.567 -33.351 34.018 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 9.134 -37.613 30.772 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 9.750 -36.986 31.151 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 8.272 -37.297 31.043 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 15.159 -32.523 29.298 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 15.398 -33.271 28.750 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 14.890 -32.911 30.130 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 14.096 -32.953 31.754 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 14.243 -33.473 32.544 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 14.093 -32.046 32.060 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 10.549 -35.700 32.264 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 9.863 -35.348 32.831 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.072 -34.937 32.018 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 14.172 -30.212 32.485 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.333 -29.412 31.984 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.975 -29.905 33.370 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.165 -33.086 31.161 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.757 -32.387 31.437 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.624 -33.519 30.442 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 9.219 -31.700 35.111 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 8.387 -31.227 35.138 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 9.765 -31.190 34.512 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 17.197 -30.660 29.436 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 16.553 -31.291 29.758 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 17.959 -31.191 29.204 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 12.756 -34.933 29.527 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 12.820 -35.727 30.058 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 13.409 -35.052 28.838 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 14.874 -28.027 31.097 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 15.807 -27.869 31.241 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.610 -27.352 30.472 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.442 -33.391 30.580 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 9.356 -33.312 30.853 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.449 -34.078 29.913 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 7.091 -27.998 35.657 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 6.444 -28.460 35.124 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 7.446 -28.670 36.240 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 8.655 -30.011 32.945 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 7.970 -30.049 32.277 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.658 -29.098 33.233 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 17.519 -28.801 31.342 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 18.385 -28.435 31.164 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 17.272 -29.241 30.529 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 11.221 -14.425 -16.819 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.851 -15.227 -17.188 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.162 -14.594 -16.772 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 7.851 -16.228 -13.675 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 7.350 -16.256 -14.490 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 7.857 -17.134 -13.365 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.602 -13.448 -16.791 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.548 -13.592 -16.810 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 7.489 -12.664 -16.254 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 10.100 -14.905 -12.632 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 10.317 -15.266 -11.772 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 9.245 -15.279 -12.842 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 8.012 -18.676 -12.473 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 8.235 -19.094 -11.641 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 7.410 -19.289 -12.895 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.297 -12.118 -14.480 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.514 -13.050 -14.511 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 9.544 -11.844 -13.596 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 9.219 -12.844 -21.457 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 8.387 -12.371 -21.430 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 9.765 -12.334 -22.056 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 8.508 -10.231 -10.127 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 9.048 -10.448 -9.368 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 8.027 -11.037 -10.317 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.415 -16.421 -9.173 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 8.559 -17.323 -9.459 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 7.642 -16.135 -9.661 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 7.091 -9.142 -20.911 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 6.444 -9.604 -21.444 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 7.446 -9.814 -20.328 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 7.961 -11.061 -19.106 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 7.627 -11.942 -18.934 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 8.183 -10.716 -18.242 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 8.041 -17.986 -16.655 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 8.225 -18.068 -17.590 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 8.890 -18.110 -16.231 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 9.633 -13.233 -10.011 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.812 -13.058 -10.471 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 9.381 -13.306 -9.090 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 9.989 -9.002 -13.705 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.269 -8.562 -14.156 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 9.623 -9.253 -12.856 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 12.456 -9.402 -14.675 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 11.591 -9.330 -14.271 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 12.401 -8.855 -15.459 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 9.404 -10.379 -16.794 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 9.385 -10.804 -15.937 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 10.209 -10.697 -17.203 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 11.545 -11.669 -18.139 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 11.326 -12.585 -17.970 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.369 -11.529 -17.673 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 10.297 -18.875 3.502 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 10.339 -19.501 4.226 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 11.000 -18.252 3.684 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 11.221 -14.425 2.037 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 10.851 -15.227 1.668 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 12.162 -14.594 2.084 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.541 -18.603 -0.444 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.755 -19.373 0.083 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 9.279 -18.514 -1.047 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 9.234 -21.165 0.677 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 9.888 -21.715 1.109 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.258 -21.439 -0.239 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 11.424 -24.644 3.989 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 11.205 -24.114 3.223 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 10.756 -24.417 4.637 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 13.993 -16.968 4.277 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 13.253 -16.370 4.380 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 14.707 -16.414 3.961 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 11.018 -22.752 1.942 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 11.631 -22.119 2.315 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 11.530 -23.224 1.285 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 12.401 -15.004 5.064 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 12.395 -14.125 4.686 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.547 -15.087 5.489 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 13.135 -18.892 2.410 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 13.700 -18.771 1.647 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 13.454 -18.255 3.049 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 14.015 -14.493 7.127 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.703 -13.711 7.583 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 13.365 -14.646 6.441 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 12.254 -12.421 7.891 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 12.262 -12.557 6.943 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 11.338 -12.539 8.143 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 10.100 -14.905 6.224 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 10.317 -15.266 7.084 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 9.245 -15.279 6.014 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.719 -26.435 2.220 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 11.858 -26.522 1.812 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 12.697 -25.579 2.647 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 12.810 -21.469 3.315 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 12.168 -21.510 4.024 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.847 -20.543 3.077 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 7.168 -24.033 -0.968 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 7.799 -24.062 -0.248 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 7.618 -24.458 -1.698 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 10.679 -16.440 8.462 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 11.412 -16.186 9.023 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 9.899 -16.236 8.977 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 15.335 -22.645 3.614 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 14.500 -22.191 3.724 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 15.859 -22.369 4.366 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 11.004 -17.137 1.068 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 11.749 -17.139 0.467 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 11.082 -17.961 1.550 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 15.029 -19.159 8.596 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 14.733 -19.325 7.701 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 15.960 -19.379 8.586 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 9.219 -12.844 -2.601 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 8.387 -12.371 -2.574 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 9.765 -12.334 -3.200 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.508 -10.231 8.729 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 9.048 -10.448 9.488 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 8.027 -11.037 8.539 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.415 -16.421 9.683 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.559 -17.323 9.397 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.642 -16.135 9.195 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 15.070 -16.451 9.116 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 14.742 -16.180 8.258 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 15.222 -17.392 9.028 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 13.194 -20.212 6.477 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.576 -19.537 6.758 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 13.538 -19.891 5.644 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 13.534 -22.857 7.560 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 13.684 -23.586 6.957 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 13.536 -22.080 7.001 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 13.946 -24.487 5.052 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 14.482 -24.036 4.400 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 13.094 -24.595 4.630 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 15.528 -19.048 5.292 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 16.279 -19.204 4.719 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 15.189 -18.196 5.016 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 14.752 -27.031 5.484 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 14.654 -26.084 5.378 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 14.009 -27.403 5.008 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 16.016 -22.709 9.047 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 15.780 -22.929 9.949 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 15.233 -22.916 8.538 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 14.974 -27.737 8.155 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 15.686 -28.377 8.141 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 14.873 -27.470 7.241 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 15.327 -26.054 10.209 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 15.196 -26.530 9.388 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 14.728 -25.310 10.153 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 7.961 -11.061 -0.250 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 7.627 -11.942 -0.078 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.183 -10.716 0.614 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 8.860 -24.403 1.233 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.305 -25.195 1.535 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 9.326 -23.687 1.664 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 7.164 -21.404 2.302 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 7.656 -21.625 1.512 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 7.526 -20.563 2.583 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 7.441 -26.408 4.701 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 6.776 -26.654 5.344 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 6.998 -25.786 4.124 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 9.633 -13.233 8.845 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 8.812 -13.058 8.385 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 9.381 -13.306 9.766 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 12.587 -12.258 5.104 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 12.162 -11.449 4.821 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 13.492 -12.173 4.802 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 9.989 -9.002 5.151 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 9.269 -8.562 4.700 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 9.623 -9.253 6.000 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 12.456 -9.402 4.181 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 11.591 -9.330 4.585 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 12.401 -8.855 3.397 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 9.404 -10.379 2.062 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 9.385 -10.804 2.919 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 10.209 -10.697 1.653 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 11.545 -11.669 0.717 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 11.326 -12.585 0.886 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 12.369 -11.529 1.183 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 11.848 -27.036 9.585 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 12.747 -27.310 9.400 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 11.462 -27.779 10.049 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 10.297 -18.875 22.358 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 10.339 -19.501 23.082 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 11.000 -18.252 22.540 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 11.221 -14.425 20.893 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 10.851 -15.227 20.524 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 12.162 -14.594 20.940 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 8.541 -18.603 18.412 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 8.755 -19.373 18.939 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.279 -18.514 17.809 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 12.614 -23.562 18.771 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 12.657 -22.702 18.353 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 12.156 -24.114 18.138 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 9.234 -21.165 19.533 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 9.888 -21.715 19.965 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 9.258 -21.439 18.617 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 15.450 -27.338 20.298 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 15.333 -28.287 20.244 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 14.595 -27.006 20.571 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 12.768 -17.661 17.633 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.438 -18.031 16.814 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 13.356 -18.331 17.979 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 13.135 -18.892 21.266 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 13.700 -18.771 20.503 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 13.454 -18.255 21.905 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.935 -18.295 25.212 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.005 -17.644 25.910 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 10.044 -18.192 24.877 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 11.758 -18.591 15.222 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 11.466 -17.823 14.731 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 11.084 -19.251 15.059 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 7.851 -16.228 24.037 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 7.350 -16.256 23.222 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 7.857 -17.134 24.347 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 7.602 -13.448 20.921 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 8.548 -13.592 20.902 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 7.489 -12.664 21.458 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.846 -10.647 17.066 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 10.998 -10.995 17.945 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 9.995 -11.003 16.811 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 12.719 -26.435 21.076 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 11.858 -26.522 20.668 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 12.697 -25.579 21.503 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 17.382 -26.713 24.450 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 17.802 -27.128 25.203 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 16.449 -26.891 24.567 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 12.810 -21.469 22.171 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 12.168 -21.510 22.880 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 12.847 -20.543 21.933 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 12.807 -21.248 17.083 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 11.914 -21.589 17.024 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 13.258 -21.625 16.327 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 13.926 -23.775 10.836 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 13.495 -24.220 11.566 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 13.208 -23.403 10.324 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 15.389 -23.821 18.169 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 14.478 -23.764 18.458 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 15.894 -23.881 18.980 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 10.217 -22.192 16.996 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 9.328 -22.092 16.656 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 10.513 -23.034 16.650 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 13.870 -22.192 14.652 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 14.802 -22.063 14.830 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 13.655 -21.522 14.003 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 12.544 -20.997 12.219 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 12.002 -21.377 11.528 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 13.378 -20.803 11.790 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 11.711 -24.897 16.474 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 11.394 -25.799 16.439 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 12.492 -24.895 15.922 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 15.335 -22.645 22.470 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 14.500 -22.191 22.580 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 15.859 -22.369 23.222 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 11.004 -17.137 19.924 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 11.749 -17.139 19.323 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 11.082 -17.961 20.406 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 8.012 -18.676 25.239 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 8.235 -19.094 26.071 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 7.410 -19.289 24.817 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 13.379 -13.619 17.329 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 13.906 -12.846 17.128 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 12.499 -13.394 17.027 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 9.134 -18.757 11.916 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 9.750 -18.130 12.295 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 8.272 -18.441 12.187 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 9.297 -12.118 23.232 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 9.514 -13.050 23.201 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.544 -11.844 24.116 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 10.549 -16.844 13.408 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 9.863 -16.492 13.975 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 11.072 -16.081 13.162 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 12.906 -24.658 13.245 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 12.823 -23.769 13.591 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 13.796 -24.923 13.476 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 11.165 -14.230 12.305 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 11.757 -13.531 12.581 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 11.624 -14.663 11.586 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 8.508 -10.231 27.585 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 9.048 -10.448 28.344 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 8.027 -11.037 27.395 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.415 -16.421 28.539 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.559 -17.323 28.253 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 7.642 -16.135 28.051 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 12.756 -16.077 10.671 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 12.820 -16.871 11.202 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 13.409 -16.196 9.982 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 9.247 -19.221 27.959 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 9.655 -20.078 27.838 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 8.987 -19.206 28.880 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 13.194 -20.212 25.333 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 12.576 -19.537 25.614 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 13.538 -19.891 24.500 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 14.976 -19.862 11.240 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 14.796 -20.016 10.312 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 15.927 -19.754 11.284 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 13.534 -22.857 26.416 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 13.684 -23.586 25.813 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 13.536 -22.080 25.857 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 13.946 -24.487 23.908 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 14.482 -24.036 23.256 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 13.094 -24.595 23.486 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 12.012 -21.659 28.327 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 11.245 -22.191 28.117 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 12.691 -21.969 27.728 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 14.752 -27.031 24.340 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 14.654 -26.084 24.234 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 14.009 -27.403 23.864 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 16.016 -22.709 27.903 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 15.780 -22.929 28.805 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 15.233 -22.916 27.394 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 14.974 -27.737 27.011 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 15.686 -28.377 26.997 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 14.873 -27.470 26.097 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 15.327 -26.054 29.065 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 15.196 -26.530 28.244 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 14.728 -25.310 29.009 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 8.442 -14.535 11.724 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 9.356 -14.456 11.997 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 8.449 -15.222 11.057 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 7.091 -9.142 16.801 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 6.444 -9.604 16.268 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 7.446 -9.814 17.384 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 7.961 -11.061 18.606 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.627 -11.942 18.778 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 8.183 -10.716 19.470 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 8.041 -17.986 21.057 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 8.225 -18.068 20.122 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 8.890 -18.110 21.481 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 9.404 -10.379 20.918 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 9.385 -10.804 21.775 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 10.209 -10.697 20.509 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 11.545 -11.669 19.573 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 11.326 -12.585 19.742 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 12.369 -11.529 20.039 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 9.917 -26.901 17.388 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 9.140 -27.135 16.880 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 10.448 -27.698 17.396 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 8.655 -11.155 14.089 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 7.970 -11.193 13.421 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 8.658 -10.242 14.377 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 10.615 -25.187 11.634 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 11.106 -25.817 11.106 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 11.238 -24.891 12.297 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 10.473 -10.235 11.114 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 10.205 -9.948 11.987 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 11.244 -10.781 11.266 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 17.044 -24.220 30.591 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 16.790 -24.201 31.514 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 16.787 -25.092 30.290 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 13.926 -23.775 29.692 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 13.495 -24.220 30.422 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 13.208 -23.403 29.180 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 8.443 -23.287 32.168 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 8.917 -22.696 31.583 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 7.725 -22.756 32.515 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 12.544 -20.997 31.075 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 12.002 -21.377 30.384 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 13.378 -20.803 30.646 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 9.134 -18.757 30.772 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 9.750 -18.130 31.151 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 8.272 -18.441 31.043 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 12.906 -24.658 32.101 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 12.823 -23.769 32.447 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 13.796 -24.923 32.332 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 9.481 -21.566 30.277 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 9.436 -20.627 30.456 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 8.593 -21.802 30.007 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 8.442 -14.535 30.580 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 9.356 -14.456 30.853 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 8.449 -15.222 29.913 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 7.477 -25.146 34.069 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 6.552 -24.937 33.939 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 7.931 -24.662 33.379 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 8.754 -27.103 32.047 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 9.193 -26.492 31.456 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 8.120 -26.565 32.521 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 10.615 -25.187 30.490 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 11.106 -25.817 29.962 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 11.238 -24.891 31.153 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 15.641 -24.894 32.947 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 15.819 -25.540 33.630 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 15.587 -24.060 33.414 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 9.234 -2.309 -18.179 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 9.888 -2.859 -17.747 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 9.258 -2.583 -19.095 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 11.424 -5.788 -14.867 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 11.205 -5.258 -15.633 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 10.756 -5.561 -14.219 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 11.018 -3.896 -16.914 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 11.631 -3.263 -16.541 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 11.530 -4.368 -17.571 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 7.168 -5.177 -19.824 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 7.799 -5.206 -19.104 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 7.618 -5.602 -20.554 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 9.646 -5.067 -12.915 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 8.753 -4.728 -12.982 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 9.547 -5.922 -12.497 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 10.289 -7.928 -17.618 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 10.060 -7.869 -18.545 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 9.846 -8.720 -17.311 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 7.639 -3.859 -10.514 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 8.558 -3.981 -10.278 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 7.189 -4.609 -10.125 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 8.860 -5.547 -17.623 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 9.305 -6.339 -17.321 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 9.326 -4.831 -17.192 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 7.164 -2.548 -16.554 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 7.656 -2.769 -17.344 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 7.526 -1.707 -16.273 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 7.477 -6.290 -22.499 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 6.552 -6.081 -22.629 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 7.931 -5.806 -23.189 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 9.917 -8.045 -20.324 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 9.140 -8.279 -20.832 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 10.448 -8.842 -20.316 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 9.875 -7.531 -10.807 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 9.509 -8.296 -10.364 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 10.788 -7.502 -10.520 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1044 7.441 -7.552 4.701 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1044 6.776 -7.798 5.344 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1044 6.998 -6.930 4.124 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1045 9.875 -7.531 8.049 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1045 9.509 -8.296 8.492 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1045 10.788 -7.502 8.336 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1046 7.168 -5.177 17.888 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1046 7.799 -5.206 18.608 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1046 7.618 -5.602 17.158 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1047 10.289 -7.928 20.094 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1047 10.060 -7.869 19.167 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1047 9.846 -8.720 20.401 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1048 8.860 -5.547 20.089 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1048 9.305 -6.339 20.391 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1048 9.326 -4.831 20.520 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1049 7.164 -2.548 21.158 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1049 7.656 -2.769 20.368 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1049 7.526 -1.707 21.439 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1050 7.477 -6.290 15.213 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1050 6.552 -6.081 15.083 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1050 7.931 -5.806 14.523 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1051 7.441 -7.552 23.557 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1051 6.776 -7.798 24.200 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1051 6.998 -6.930 22.980 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1052 9.917 -8.045 17.388 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1052 9.140 -8.279 16.880 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1052 10.448 -8.842 17.396 0.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1053 8.754 -8.247 13.191 0.00 0.00 WAT1 ATOM 4531 H1 TIP3 1053 9.193 -7.636 12.600 0.00 0.00 WAT1 ATOM 4532 H2 TIP3 1053 8.120 -7.709 13.665 0.00 0.00 WAT1 END