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 14:32:40 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.352 -1.043 -13.359 1.00 41.32 ATOM 2 CB MET 1 1.727 -1.236 -11.731 1.00 44.35 ATOM 3 HB1 MET 1 1.813 -2.291 -11.951 1.00 35.64 ATOM 4 HB2 MET 1 1.708 -1.100 -10.656 1.00 13.33 ATOM 5 CG MET 1 2.954 -0.518 -12.271 1.00 61.55 ATOM 6 HG1 MET 1 3.047 0.433 -11.769 1.00 35.64 ATOM 7 HG2 MET 1 2.833 -0.352 -13.334 1.00 13.42 ATOM 8 SD MET 1 4.474 -1.454 -12.016 1.00 61.14 ATOM 9 CE MET 1 5.666 -0.392 -12.828 1.00 51.32 ATOM 10 HE1 MET 1 6.649 -0.833 -12.755 1.00 24.41 ATOM 11 HE2 MET 1 5.670 0.576 -12.350 1.00 24.15 ATOM 12 HE3 MET 1 5.398 -0.279 -13.868 1.00 53.21 ATOM 13 C MET 1 -0.767 -1.329 -11.567 1.00 32.50 ATOM 14 O MET 1 -1.578 -0.606 -10.990 1.00 72.22 ATOM 15 N MET 1 0.367 0.727 -12.292 1.00 74.31 ATOM 16 HT1 MET 1 1.075 1.133 -12.937 1.00 35.64 ATOM 17 HT2 MET 1 0.550 1.081 -11.328 1.00 35.64 ATOM 18 HT3 MET 1 -0.573 1.067 -12.593 1.00 35.64 ATOM 19 CA MET 1 0.412 -0.730 -12.327 1.00 71.52 ATOM 20 N GLY 2 -0.856 -2.656 -11.571 1.00 20.20 ATOM 21 HN GLY 2 -0.188 -3.195 -12.051 1.00 35.64 ATOM 22 CA GLY 2 -1.940 -3.329 -10.879 1.00 25.22 ATOM 23 HA1 GLY 2 -1.889 -4.385 -11.101 1.00 35.64 ATOM 24 HA2 GLY 2 -2.887 -2.945 -11.236 1.00 5.33 ATOM 25 C GLY 2 -1.870 -3.146 -9.376 1.00 24.13 ATOM 26 O GLY 2 -0.950 -2.508 -8.863 1.00 23.03 ATOM 27 N HIS 3 -2.845 -3.706 -8.667 1.00 11.41 ATOM 28 HN HIS 3 -3.565 -4.196 -9.130 1.00 35.64 ATOM 29 CA HIS 3 -2.891 -3.600 -7.213 1.00 10.21 ATOM 30 HA HIS 3 -1.914 -3.296 -6.852 1.00 34.30 ATOM 31 CB HIS 3 -3.909 -2.540 -6.789 1.00 63.34 ATOM 32 HB1 HIS 3 -3.524 -1.566 -7.053 1.00 35.64 ATOM 33 HB2 HIS 3 -4.055 -2.579 -5.717 1.00 63.44 ATOM 34 CG HIS 3 -5.244 -2.695 -7.449 1.00 35.31 ATOM 35 ND1 HIS 3 -5.503 -2.270 -8.735 1.00 2.32 ATOM 36 HD1 HIS 3 -4.861 -1.835 -9.334 1.00 12.30 ATOM 37 CD2 HIS 3 -6.399 -3.235 -6.994 1.00 14.45 ATOM 38 HD2 HIS 3 -6.562 -3.672 -6.019 1.00 34.32 ATOM 39 CE1 HIS 3 -6.759 -2.539 -9.041 1.00 53.03 ATOM 40 HE1 HIS 3 -7.241 -2.319 -9.982 1.00 71.45 ATOM 41 NE2 HIS 3 -7.325 -3.125 -8.002 1.00 33.13 ATOM 42 HE2 HIS 3 -8.277 -3.344 -7.926 1.00 35.64 ATOM 43 C HIS 3 -3.245 -4.943 -6.581 1.00 44.14 ATOM 44 O HIS 3 -4.255 -5.557 -6.928 1.00 4.45 ATOM 45 N HIS 4 -2.406 -5.395 -5.654 1.00 51.50 ATOM 46 HN HIS 4 -1.612 -4.867 -5.410 1.00 35.64 ATOM 47 CA HIS 4 -2.630 -6.665 -4.974 1.00 74.43 ATOM 48 HA HIS 4 -3.538 -7.112 -5.358 1.00 24.31 ATOM 49 CB HIS 4 -1.460 -7.617 -5.227 1.00 54.43 ATOM 50 HB1 HIS 4 -1.365 -8.312 -4.400 1.00 35.64 ATOM 51 HB2 HIS 4 -0.545 -7.047 -5.309 1.00 12.23 ATOM 52 CG HIS 4 -1.610 -8.432 -6.475 1.00 12.22 ATOM 53 ND1 HIS 4 -2.807 -8.993 -6.868 1.00 41.31 ATOM 54 HD1 HIS 4 -3.656 -8.934 -6.385 1.00 3.01 ATOM 55 CD2 HIS 4 -0.705 -8.778 -7.420 1.00 74.20 ATOM 56 HD2 HIS 4 0.342 -8.509 -7.434 1.00 52.32 ATOM 57 CE1 HIS 4 -2.631 -9.650 -8.000 1.00 73.34 ATOM 58 HE1 HIS 4 -3.394 -10.189 -8.543 1.00 11.30 ATOM 59 NE2 HIS 4 -1.365 -9.535 -8.357 1.00 22.31 ATOM 60 HE2 HIS 4 -0.945 -10.004 -9.108 1.00 35.64 ATOM 61 C HIS 4 -2.815 -6.454 -3.475 1.00 24.35 ATOM 62 O HIS 4 -1.856 -6.174 -2.754 1.00 62.32 ATOM 63 N HIS 5 -4.053 -6.590 -3.010 1.00 42.43 ATOM 64 HN HIS 5 -4.784 -6.828 -3.628 1.00 35.64 ATOM 65 CA HIS 5 -4.363 -6.413 -1.596 1.00 24.51 ATOM 66 HA HIS 5 -3.552 -5.868 -1.121 1.00 52.23 ATOM 67 CB HIS 5 -5.644 -5.596 -1.431 1.00 11.02 ATOM 68 HB1 HIS 5 -5.927 -5.574 -0.386 1.00 35.64 ATOM 69 HB2 HIS 5 -6.434 -6.060 -2.001 1.00 61.31 ATOM 70 CG HIS 5 -5.513 -4.178 -1.894 1.00 15.43 ATOM 71 ND1 HIS 5 -6.100 -3.706 -3.049 1.00 64.13 ATOM 72 HD1 HIS 5 -6.647 -4.232 -3.670 1.00 73.35 ATOM 73 CD2 HIS 5 -4.860 -3.125 -1.348 1.00 53.13 ATOM 74 HD2 HIS 5 -4.288 -3.131 -0.431 1.00 20.23 ATOM 75 CE1 HIS 5 -5.811 -2.425 -3.196 1.00 31.22 ATOM 76 HE1 HIS 5 -6.135 -1.793 -4.010 1.00 20.35 ATOM 77 NE2 HIS 5 -5.060 -2.048 -2.177 1.00 34.05 ATOM 78 HE2 HIS 5 -4.782 -1.127 -1.991 1.00 35.64 ATOM 79 C HIS 5 -4.513 -7.763 -0.901 1.00 21.15 ATOM 80 O HIS 5 -5.564 -8.400 -0.980 1.00 21.24 ATOM 81 N HIS 6 -3.455 -8.194 -0.220 1.00 54.10 ATOM 82 HN HIS 6 -2.648 -7.627 -0.181 1.00 35.64 ATOM 83 CA HIS 6 -3.470 -9.468 0.489 1.00 30.43 ATOM 84 HA HIS 6 -3.679 -10.250 -0.229 1.00 71.55 ATOM 85 CB HIS 6 -2.106 -9.737 1.126 1.00 34.24 ATOM 86 HB1 HIS 6 -2.108 -10.725 1.565 1.00 35.64 ATOM 87 HB2 HIS 6 -1.921 -9.005 1.901 1.00 55.13 ATOM 88 CG HIS 6 -0.968 -9.670 0.155 1.00 21.25 ATOM 89 ND1 HIS 6 -0.012 -8.677 0.184 1.00 41.01 ATOM 90 HD1 HIS 6 0.022 -7.934 0.822 1.00 73.34 ATOM 91 CD2 HIS 6 -0.634 -10.482 -0.875 1.00 33.10 ATOM 92 HD2 HIS 6 -1.165 -11.369 -1.190 1.00 74.12 ATOM 93 CE1 HIS 6 0.859 -8.880 -0.788 1.00 45.30 ATOM 94 HE1 HIS 6 1.716 -8.261 -1.007 1.00 55.02 ATOM 95 NE2 HIS 6 0.505 -9.969 -1.445 1.00 73.12 ATOM 96 HE2 HIS 6 1.032 -10.399 -2.151 1.00 35.64 ATOM 97 C HIS 6 -4.557 -9.482 1.560 1.00 4.32 ATOM 98 O HIS 6 -5.143 -8.446 1.877 1.00 73.32 ATOM 99 N HIS 7 -4.820 -10.661 2.114 1.00 14.13 ATOM 100 HN HIS 7 -4.319 -11.452 1.827 1.00 35.64 ATOM 101 CA HIS 7 -5.837 -10.809 3.150 1.00 41.32 ATOM 102 HA HIS 7 -5.976 -11.865 3.332 1.00 14.51 ATOM 103 CB HIS 7 -5.384 -10.125 4.440 1.00 22.32 ATOM 104 HB1 HIS 7 -6.241 -9.926 5.072 1.00 35.64 ATOM 105 HB2 HIS 7 -4.898 -9.190 4.211 1.00 62.02 ATOM 106 CG HIS 7 -4.433 -10.950 5.253 1.00 53.32 ATOM 107 ND1 HIS 7 -3.105 -10.620 5.421 1.00 60.14 ATOM 108 HD1 HIS 7 -2.657 -9.837 5.038 1.00 24.12 ATOM 109 CD2 HIS 7 -4.626 -12.095 5.948 1.00 61.24 ATOM 110 HD2 HIS 7 -5.555 -12.641 6.039 1.00 61.54 ATOM 111 CE1 HIS 7 -2.521 -11.528 6.182 1.00 71.20 ATOM 112 HE1 HIS 7 -1.483 -11.529 6.482 1.00 42.04 ATOM 113 NE2 HIS 7 -3.423 -12.434 6.516 1.00 65.13 ATOM 114 HE2 HIS 7 -3.302 -13.103 7.208 1.00 35.64 ATOM 115 C HIS 7 -7.169 -10.223 2.691 1.00 71.41 ATOM 116 O HIS 7 -7.717 -9.324 3.329 1.00 4.05 ATOM 117 N HIS 8 -7.685 -10.739 1.580 1.00 52.14 ATOM 118 HN HIS 8 -7.187 -11.435 1.098 1.00 35.64 ATOM 119 CA HIS 8 -8.953 -10.267 1.035 1.00 34.01 ATOM 120 HA HIS 8 -9.435 -9.618 1.756 1.00 44.24 ATOM 121 CB HIS 8 -8.717 -9.472 -0.249 1.00 2.50 ATOM 122 HB1 HIS 8 -8.117 -10.064 -0.925 1.00 35.64 ATOM 123 HB2 HIS 8 -8.187 -8.562 -0.008 1.00 63.23 ATOM 124 CG HIS 8 -9.979 -9.094 -0.961 1.00 72.41 ATOM 125 ND1 HIS 8 -10.126 -9.180 -2.330 1.00 4.54 ATOM 126 HD1 HIS 8 -9.442 -9.486 -2.961 1.00 61.34 ATOM 127 CD2 HIS 8 -11.159 -8.630 -0.486 1.00 44.33 ATOM 128 HD2 HIS 8 -11.403 -8.442 0.550 1.00 15.05 ATOM 129 CE1 HIS 8 -11.340 -8.782 -2.666 1.00 4.11 ATOM 130 HE1 HIS 8 -11.737 -8.742 -3.670 1.00 53.12 ATOM 131 NE2 HIS 8 -11.987 -8.443 -1.565 1.00 60.35 ATOM 132 HE2 HIS 8 -12.935 -8.200 -1.519 1.00 35.64 ATOM 133 C HIS 8 -9.894 -11.436 0.758 1.00 40.24 ATOM 134 O HIS 8 -11.089 -11.364 1.042 1.00 34.22 ATOM 135 N SER 9 -9.346 -12.511 0.200 1.00 40.43 ATOM 136 HN SER 9 -8.396 -12.507 -0.049 1.00 35.64 ATOM 137 CA SER 9 -10.137 -13.693 -0.121 1.00 10.13 ATOM 138 HA SER 9 -11.040 -13.691 0.477 1.00 41.54 ATOM 139 CB SER 9 -10.530 -13.684 -1.599 1.00 74.21 ATOM 140 HB1 SER 9 -9.703 -13.317 -2.192 1.00 35.64 ATOM 141 HB2 SER 9 -11.384 -13.038 -1.738 1.00 13.10 ATOM 142 OG SER 9 -10.865 -14.987 -2.046 1.00 1.24 ATOM 143 HG SER 9 -11.764 -15.198 -1.781 1.00 44.04 ATOM 144 C SER 9 -9.364 -14.968 0.204 1.00 15.22 ATOM 145 O SER 9 -9.655 -15.650 1.187 1.00 20.13 ATOM 146 N HIS 10 -8.378 -15.283 -0.629 1.00 73.34 ATOM 147 HN HIS 10 -8.164 -14.697 -1.389 1.00 35.64 ATOM 148 CA HIS 10 -7.562 -16.476 -0.432 1.00 33.13 ATOM 149 HA HIS 10 -7.905 -16.997 0.453 1.00 52.53 ATOM 150 CB HIS 10 -7.707 -17.422 -1.624 1.00 61.11 ATOM 151 HB1 HIS 10 -7.119 -17.065 -2.460 1.00 35.64 ATOM 152 HB2 HIS 10 -8.747 -17.452 -1.919 1.00 43.32 ATOM 153 CG HIS 10 -7.290 -18.829 -1.326 1.00 74.51 ATOM 154 ND1 HIS 10 -6.506 -19.579 -2.178 1.00 10.44 ATOM 155 HD1 HIS 10 -6.151 -19.280 -3.041 1.00 52.43 ATOM 156 CD2 HIS 10 -7.552 -19.624 -0.262 1.00 12.33 ATOM 157 HD2 HIS 10 -8.142 -19.361 0.605 1.00 25.31 ATOM 158 CE1 HIS 10 -6.305 -20.773 -1.651 1.00 20.32 ATOM 159 HE1 HIS 10 -5.727 -21.570 -2.095 1.00 74.14 ATOM 160 NE2 HIS 10 -6.929 -20.826 -0.488 1.00 21.22 ATOM 161 HE2 HIS 10 -6.865 -21.563 0.154 1.00 35.64 ATOM 162 C HIS 10 -6.095 -16.105 -0.237 1.00 54.50 ATOM 163 O HIS 10 -5.257 -16.305 -1.116 1.00 52.54 ATOM 164 N PRO 11 -5.776 -15.550 0.942 1.00 52.12 ATOM 165 CA PRO 11 -4.410 -15.139 1.279 1.00 12.42 ATOM 166 HA PRO 11 -4.004 -14.476 0.527 1.00 75.01 ATOM 167 CB PRO 11 -4.585 -14.373 2.593 1.00 24.02 ATOM 168 HB1 PRO 11 -4.695 -13.329 2.380 1.00 35.64 ATOM 169 HB2 PRO 11 -3.732 -14.520 3.242 1.00 50.54 ATOM 170 CG PRO 11 -5.830 -14.928 3.193 1.00 74.24 ATOM 171 HG1 PRO 11 -6.302 -14.183 3.816 1.00 35.64 ATOM 172 HG2 PRO 11 -5.598 -15.810 3.771 1.00 45.42 ATOM 173 CD PRO 11 -6.724 -15.282 2.036 1.00 32.13 ATOM 174 HD1 PRO 11 -7.359 -14.446 1.800 1.00 35.64 ATOM 175 HD2 PRO 11 -7.311 -16.155 2.275 1.00 12.25 ATOM 176 C PRO 11 -3.478 -16.329 1.476 1.00 32.30 ATOM 177 O PRO 11 -3.898 -17.387 1.944 1.00 43.11 ATOM 178 N ASN 12 -2.212 -16.149 1.116 1.00 25.31 ATOM 179 HN ASN 12 -1.982 -15.313 0.687 1.00 35.64 ATOM 180 CA ASN 12 -1.220 -17.210 1.253 1.00 2.24 ATOM 181 HA ASN 12 -1.477 -17.997 0.558 1.00 61.54 ATOM 182 CB ASN 12 0.174 -16.681 0.909 1.00 10.10 ATOM 183 HB1 ASN 12 0.282 -16.661 -0.167 1.00 35.64 ATOM 184 HB2 ASN 12 0.932 -17.335 1.322 1.00 44.04 ATOM 185 CG ASN 12 0.408 -15.279 1.439 1.00 74.24 ATOM 186 OD1 ASN 12 0.973 -15.097 2.517 1.00 31.41 ATOM 187 ND2 ASN 12 -0.028 -14.280 0.680 1.00 20.11 ATOM 188 HD21 ASN 12 -0.463 -14.480 -0.179 1.00 4.10 ATOM 189 HD22 ASN 12 0.103 -13.367 1.012 1.00 14.42 ATOM 190 C ASN 12 -1.225 -17.779 2.669 1.00 44.01 ATOM 191 O ASN 12 -1.712 -17.142 3.602 1.00 21.33 ATOM 192 N GLU 13 -0.678 -18.981 2.819 1.00 20.43 ATOM 193 HN GLU 13 -0.301 -19.441 2.031 1.00 35.64 ATOM 194 CA GLU 13 -0.620 -19.636 4.121 1.00 3.11 ATOM 195 HA GLU 13 -1.626 -19.768 4.466 1.00 0.14 ATOM 196 CB GLU 13 0.041 -21.011 3.996 1.00 14.44 ATOM 197 HB1 GLU 13 0.975 -20.900 3.463 1.00 35.64 ATOM 198 HB2 GLU 13 -0.613 -21.658 3.428 1.00 1.40 ATOM 199 CG GLU 13 0.328 -21.671 5.334 1.00 24.12 ATOM 200 HG1 GLU 13 -0.588 -21.775 5.881 1.00 35.64 ATOM 201 HG2 GLU 13 1.013 -21.055 5.896 1.00 64.22 ATOM 202 CD GLU 13 0.956 -23.043 5.184 1.00 23.23 ATOM 203 OE1 GLU 13 0.427 -23.856 4.398 1.00 51.11 ATOM 204 OE2 GLU 13 1.978 -23.304 5.854 1.00 51.32 ATOM 205 C GLU 13 0.146 -18.781 5.126 1.00 4.32 ATOM 206 O GLU 13 -0.208 -18.722 6.303 1.00 2.11 ATOM 207 N GLU 14 1.198 -18.120 4.652 1.00 23.32 ATOM 208 HN GLU 14 1.440 -18.211 3.701 1.00 35.64 ATOM 209 CA GLU 14 2.015 -17.270 5.510 1.00 43.32 ATOM 210 HA GLU 14 2.350 -17.871 6.347 1.00 41.40 ATOM 211 CB GLU 14 3.230 -16.748 4.740 1.00 63.22 ATOM 212 HB1 GLU 14 3.060 -15.721 4.439 1.00 35.64 ATOM 213 HB2 GLU 14 3.371 -17.340 3.843 1.00 65.33 ATOM 214 CG GLU 14 4.521 -16.787 5.541 1.00 51.32 ATOM 215 HG1 GLU 14 4.322 -16.481 6.560 1.00 35.64 ATOM 216 HG2 GLU 14 5.221 -16.096 5.095 1.00 11.53 ATOM 217 CD GLU 14 5.156 -18.163 5.557 1.00 24.44 ATOM 218 OE1 GLU 14 5.291 -18.742 6.656 1.00 62.14 ATOM 219 OE2 GLU 14 5.519 -18.662 4.471 1.00 33.01 ATOM 220 C GLU 14 1.200 -16.098 6.049 1.00 20.03 ATOM 221 O GLU 14 1.288 -15.757 7.229 1.00 64.45 ATOM 222 N ALA 15 0.407 -15.485 5.177 1.00 71.14 ATOM 223 HN ALA 15 0.392 -15.793 4.240 1.00 35.64 ATOM 224 CA ALA 15 -0.425 -14.353 5.565 1.00 51.13 ATOM 225 HA ALA 15 0.226 -13.552 5.891 1.00 63.22 ATOM 226 CB ALA 15 -1.225 -13.852 4.371 1.00 30.21 ATOM 227 HB1 ALA 15 -2.256 -13.691 4.639 1.00 2.30 ATOM 228 HB2 ALA 15 -1.190 -14.572 3.568 1.00 61.32 ATOM 229 HB3 ALA 15 -0.801 -12.920 4.028 1.00 63.02 ATOM 230 C ALA 15 -1.359 -14.725 6.711 1.00 31.41 ATOM 231 O ALA 15 -1.442 -14.014 7.713 1.00 70.24 ATOM 232 N ARG 16 -2.061 -15.844 6.557 1.00 3.52 ATOM 233 HN ARG 16 -1.957 -16.354 5.723 1.00 35.64 ATOM 234 CA ARG 16 -2.990 -16.309 7.579 1.00 14.13 ATOM 235 HA ARG 16 -3.615 -15.481 7.865 1.00 22.35 ATOM 236 CB ARG 16 -3.879 -17.422 7.021 1.00 15.15 ATOM 237 HB1 ARG 16 -4.475 -17.014 6.217 1.00 35.64 ATOM 238 HB2 ARG 16 -4.542 -17.770 7.804 1.00 2.30 ATOM 239 CG ARG 16 -3.101 -18.609 6.478 1.00 2.14 ATOM 240 HG1 ARG 16 -2.442 -18.988 7.240 1.00 35.64 ATOM 241 HG2 ARG 16 -2.532 -18.294 5.627 1.00 64.44 ATOM 242 CD ARG 16 -4.029 -19.735 6.050 1.00 3.11 ATOM 243 HD1 ARG 16 -4.528 -19.423 5.144 1.00 35.64 ATOM 244 HD2 ARG 16 -4.764 -19.910 6.827 1.00 13.33 ATOM 245 NE ARG 16 -3.303 -20.978 5.805 1.00 73.55 ATOM 246 HE ARG 16 -2.407 -21.065 6.187 1.00 75.21 ATOM 247 CZ ARG 16 -3.796 -21.989 5.097 1.00 44.14 ATOM 248 NH1 ARG 16 -5.008 -21.903 4.567 1.00 40.12 ATOM 249 HH11 ARG 16 -5.576 -21.093 4.686 1.00 72.54 ATOM 250 HH12 ARG 16 -5.368 -22.670 4.032 1.00 2.21 ATOM 251 NH2 ARG 16 -3.074 -23.088 4.917 1.00 74.20 ATOM 252 HH21 ARG 16 -2.158 -23.160 5.313 1.00 50.53 ATOM 253 HH22 ARG 16 -3.443 -23.851 4.383 1.00 3.03 ATOM 254 C ARG 16 -2.240 -16.811 8.809 1.00 24.20 ATOM 255 O ARG 16 -2.700 -16.649 9.940 1.00 71.40 ATOM 256 N LEU 17 -1.082 -17.421 8.581 1.00 60.45 ATOM 257 HN LEU 17 -0.765 -17.536 7.655 1.00 35.64 ATOM 258 CA LEU 17 -0.267 -17.948 9.670 1.00 62.34 ATOM 259 HA LEU 17 -0.883 -18.609 10.266 1.00 12.23 ATOM 260 CB LEU 17 0.911 -18.748 9.110 1.00 30.43 ATOM 261 HB1 LEU 17 1.327 -18.196 8.278 1.00 35.64 ATOM 262 HB2 LEU 17 0.523 -19.686 8.735 1.00 3.14 ATOM 263 CG LEU 17 2.044 -19.051 10.092 1.00 14.41 ATOM 264 HG LEU 17 2.534 -18.130 10.372 1.00 40.11 ATOM 265 CD1 LEU 17 1.497 -19.696 11.356 1.00 73.12 ATOM 266 HD11 LEU 17 1.056 -20.653 11.115 1.00 24.11 ATOM 267 HD12 LEU 17 0.762 -19.080 11.829 1.00 11.52 ATOM 268 HD13 LEU 17 2.310 -19.847 12.034 1.00 4.23 ATOM 269 CD2 LEU 17 3.088 -19.947 9.442 1.00 12.22 ATOM 270 HD21 LEU 17 3.550 -19.419 8.620 1.00 51.34 ATOM 271 HD22 LEU 17 2.619 -20.842 9.068 1.00 71.34 ATOM 272 HD23 LEU 17 3.848 -20.212 10.165 1.00 5.42 ATOM 273 C LEU 17 0.247 -16.821 10.560 1.00 35.30 ATOM 274 O LEU 17 0.239 -16.933 11.786 1.00 14.21 ATOM 275 N ASP 18 0.690 -15.736 9.935 1.00 22.12 ATOM 276 HN ASP 18 0.685 -15.707 8.950 1.00 35.64 ATOM 277 CA ASP 18 1.204 -14.587 10.671 1.00 41.41 ATOM 278 HA ASP 18 2.081 -14.909 11.206 1.00 2.24 ATOM 279 CB ASP 18 1.579 -13.462 9.705 1.00 52.24 ATOM 280 HB1 ASP 18 0.693 -12.910 9.416 1.00 35.64 ATOM 281 HB2 ASP 18 2.027 -13.892 8.820 1.00 22.24 ATOM 282 CG ASP 18 2.578 -12.492 10.305 1.00 53.04 ATOM 283 OD1 ASP 18 3.480 -12.948 11.037 1.00 1.13 ATOM 284 OD2 ASP 18 2.457 -11.277 10.042 1.00 14.22 ATOM 285 C ASP 18 0.177 -14.085 11.681 1.00 4.14 ATOM 286 O ASP 18 0.535 -13.527 12.719 1.00 20.13 ATOM 287 N ILE 19 -1.099 -14.286 11.370 1.00 24.23 ATOM 288 HN ILE 19 -1.327 -14.736 10.531 1.00 35.64 ATOM 289 CA ILE 19 -2.177 -13.854 12.251 1.00 25.23 ATOM 290 HA ILE 19 -2.037 -12.799 12.462 1.00 54.30 ATOM 291 CB ILE 19 -3.554 -14.034 11.586 1.00 43.33 ATOM 292 HB ILE 19 -3.739 -15.087 11.469 1.00 50.25 ATOM 293 CG1 ILE 19 -3.569 -13.370 10.207 1.00 3.12 ATOM 294 HG11 ILE 19 -2.752 -13.732 9.617 1.00 35.64 ATOM 295 HG12 ILE 19 -3.472 -12.301 10.320 1.00 32.44 ATOM 296 CG2 ILE 19 -4.649 -13.456 12.470 1.00 44.42 ATOM 297 HG21 ILE 19 -5.063 -14.253 13.059 1.00 33.44 ATOM 298 HG22 ILE 19 -5.440 -13.010 11.889 1.00 34.32 ATOM 299 HG23 ILE 19 -4.241 -12.705 13.133 1.00 34.02 ATOM 300 CD1 ILE 19 -4.833 -13.637 9.421 1.00 33.44 ATOM 301 HD11 ILE 19 -4.765 -13.190 8.457 1.00 11.50 ATOM 302 HD12 ILE 19 -5.680 -13.216 9.935 1.00 23.13 ATOM 303 HD13 ILE 19 -4.975 -14.702 9.315 1.00 3.21 ATOM 304 C ILE 19 -2.155 -14.627 13.566 1.00 51.32 ATOM 305 O ILE 19 -2.328 -14.050 14.641 1.00 65.05 ATOM 306 N LEU 20 -1.941 -15.934 13.474 1.00 62.45 ATOM 307 HN LEU 20 -1.813 -16.344 12.586 1.00 35.64 ATOM 308 CA LEU 20 -1.894 -16.787 14.656 1.00 34.51 ATOM 309 HA LEU 20 -2.746 -16.557 15.272 1.00 15.41 ATOM 310 CB LEU 20 -1.958 -18.261 14.249 1.00 12.32 ATOM 311 HB1 LEU 20 -1.700 -18.854 15.118 1.00 35.64 ATOM 312 HB2 LEU 20 -1.192 -18.427 13.502 1.00 44.04 ATOM 313 CG LEU 20 -3.304 -18.751 13.713 1.00 23.45 ATOM 314 HG LEU 20 -4.033 -17.969 13.819 1.00 20.13 ATOM 315 CD1 LEU 20 -3.194 -19.105 12.238 1.00 12.44 ATOM 316 HD11 LEU 20 -2.849 -18.247 11.688 1.00 71.13 ATOM 317 HD12 LEU 20 -4.163 -19.402 11.863 1.00 42.11 ATOM 318 HD13 LEU 20 -2.494 -19.919 12.109 1.00 54.14 ATOM 319 CD2 LEU 20 -3.793 -19.949 14.516 1.00 45.44 ATOM 320 HD21 LEU 20 -3.085 -20.762 14.428 1.00 62.21 ATOM 321 HD22 LEU 20 -4.755 -20.269 14.141 1.00 3.03 ATOM 322 HD23 LEU 20 -3.892 -19.672 15.556 1.00 1.42 ATOM 323 C LEU 20 -0.629 -16.526 15.467 1.00 61.34 ATOM 324 O LEU 20 -0.606 -16.718 16.683 1.00 74.45 ATOM 325 N LYS 21 0.423 -16.085 14.785 1.00 22.24 ATOM 326 HN LYS 21 0.358 -15.959 13.810 1.00 35.64 ATOM 327 CA LYS 21 1.692 -15.794 15.441 1.00 3.53 ATOM 328 HA LYS 21 1.945 -16.630 16.084 1.00 62.42 ATOM 329 CB LYS 21 2.799 -15.616 14.400 1.00 42.45 ATOM 330 HB1 LYS 21 3.673 -15.186 14.875 1.00 35.64 ATOM 331 HB2 LYS 21 2.445 -14.934 13.638 1.00 41.23 ATOM 332 CG LYS 21 3.223 -16.914 13.735 1.00 41.24 ATOM 333 HG1 LYS 21 2.345 -17.479 13.452 1.00 35.64 ATOM 334 HG2 LYS 21 3.807 -17.478 14.445 1.00 74.41 ATOM 335 CD LYS 21 4.066 -16.657 12.497 1.00 5.01 ATOM 336 HD1 LYS 21 4.784 -15.873 12.701 1.00 35.64 ATOM 337 HD2 LYS 21 3.422 -16.356 11.691 1.00 75.11 ATOM 338 CE LYS 21 4.821 -17.906 12.068 1.00 52.04 ATOM 339 HE1 LYS 21 4.117 -18.709 11.915 1.00 35.64 ATOM 340 HE2 LYS 21 5.514 -18.180 12.849 1.00 32.05 ATOM 341 NZ LYS 21 5.581 -17.688 10.806 1.00 71.53 ATOM 342 HZ1 LYS 21 6.085 -18.558 10.541 1.00 74.24 ATOM 343 HZ2 LYS 21 6.278 -16.925 10.930 1.00 74.30 ATOM 344 HZ3 LYS 21 4.933 -17.430 10.033 1.00 73.34 ATOM 345 C LYS 21 1.584 -14.539 16.303 1.00 61.43 ATOM 346 O LYS 21 2.202 -14.449 17.364 1.00 44.23 ATOM 347 N ILE 22 0.794 -13.576 15.840 1.00 4.04 ATOM 348 HN ILE 22 0.326 -13.695 14.981 1.00 35.64 ATOM 349 CA ILE 22 0.604 -12.329 16.571 1.00 52.15 ATOM 350 HA ILE 22 1.549 -12.045 17.008 1.00 64.21 ATOM 351 CB ILE 22 0.153 -11.192 15.635 1.00 51.13 ATOM 352 HB ILE 22 -0.786 -11.485 15.182 1.00 12.43 ATOM 353 CG1 ILE 22 1.197 -10.958 14.541 1.00 73.35 ATOM 354 HG11 ILE 22 1.719 -11.879 14.317 1.00 35.64 ATOM 355 HG12 ILE 22 1.922 -10.226 14.871 1.00 32.05 ATOM 356 CG2 ILE 22 -0.085 -9.916 16.428 1.00 13.12 ATOM 357 HG21 ILE 22 0.776 -9.701 17.047 1.00 40.01 ATOM 358 HG22 ILE 22 -0.959 -10.026 17.051 1.00 12.51 ATOM 359 HG23 ILE 22 -0.247 -9.090 15.748 1.00 3.43 ATOM 360 CD1 ILE 22 0.607 -10.461 13.239 1.00 1.13 ATOM 361 HD11 ILE 22 0.157 -9.492 13.395 1.00 61.10 ATOM 362 HD12 ILE 22 -0.145 -11.155 12.893 1.00 23.22 ATOM 363 HD13 ILE 22 1.388 -10.379 12.498 1.00 23.12 ATOM 364 C ILE 22 -0.426 -12.495 17.683 1.00 62.10 ATOM 365 O ILE 22 -0.190 -12.102 18.826 1.00 63.20 ATOM 366 N HIS 23 -1.569 -13.082 17.341 1.00 3.53 ATOM 367 HN HIS 23 -1.704 -13.371 16.406 1.00 35.64 ATOM 368 CA HIS 23 -2.635 -13.303 18.312 1.00 3.51 ATOM 369 HA HIS 23 -2.949 -12.340 18.688 1.00 4.33 ATOM 370 CB HIS 23 -3.820 -14.005 17.649 1.00 42.12 ATOM 371 HB1 HIS 23 -4.449 -14.460 18.405 1.00 35.64 ATOM 372 HB2 HIS 23 -3.446 -14.775 16.993 1.00 44.14 ATOM 373 CG HIS 23 -4.683 -13.087 16.838 1.00 22.45 ATOM 374 ND1 HIS 23 -5.038 -11.823 17.258 1.00 55.00 ATOM 375 HD1 HIS 23 -4.781 -11.406 18.106 1.00 73.23 ATOM 376 CD2 HIS 23 -5.260 -13.256 15.626 1.00 34.41 ATOM 377 HD2 HIS 23 -5.226 -14.151 15.032 1.00 35.31 ATOM 378 CE1 HIS 23 -5.799 -11.255 16.340 1.00 51.55 ATOM 379 HE1 HIS 23 -6.225 -10.264 16.398 1.00 21.42 ATOM 380 NE2 HIS 23 -5.949 -12.103 15.339 1.00 64.43 ATOM 381 HE2 HIS 23 -6.546 -11.972 14.573 1.00 35.64 ATOM 382 C HIS 23 -2.133 -14.130 19.491 1.00 25.33 ATOM 383 O HIS 23 -2.659 -14.033 20.600 1.00 53.14 ATOM 384 N SER 24 -1.112 -14.945 19.244 1.00 3.03 ATOM 385 HN SER 24 -0.749 -15.020 18.334 1.00 35.64 ATOM 386 CA SER 24 -0.542 -15.793 20.284 1.00 24.14 ATOM 387 HA SER 24 -1.353 -16.228 20.856 1.00 65.23 ATOM 388 CB SER 24 0.274 -16.926 19.658 1.00 33.11 ATOM 389 HB1 SER 24 -0.401 -17.660 19.243 1.00 35.64 ATOM 390 HB2 SER 24 0.874 -17.386 20.406 1.00 50.24 ATOM 391 OG SER 24 1.106 -16.441 18.619 1.00 71.34 ATOM 392 HG SER 24 1.898 -16.049 18.996 1.00 24.40 ATOM 393 C SER 24 0.339 -14.979 21.227 1.00 11.24 ATOM 394 O SER 24 0.635 -15.407 22.343 1.00 60.41 ATOM 395 N ARG 25 0.754 -13.802 20.771 1.00 50.14 ATOM 396 HN ARG 25 0.492 -13.511 19.883 1.00 35.64 ATOM 397 CA ARG 25 1.602 -12.927 21.572 1.00 74.13 ATOM 398 HA ARG 25 2.495 -13.467 21.831 1.00 72.44 ATOM 399 CB ARG 25 1.980 -11.678 20.774 1.00 15.43 ATOM 400 HB1 ARG 25 2.639 -11.064 21.376 1.00 35.64 ATOM 401 HB2 ARG 25 1.083 -11.112 20.566 1.00 61.53 ATOM 402 CG ARG 25 2.664 -11.983 19.452 1.00 2.10 ATOM 403 HG1 ARG 25 2.411 -11.202 18.753 1.00 35.64 ATOM 404 HG2 ARG 25 2.334 -12.926 19.066 1.00 34.11 ATOM 405 CD ARG 25 4.177 -12.018 19.603 1.00 31.21 ATOM 406 HD1 ARG 25 4.495 -11.069 20.015 1.00 35.64 ATOM 407 HD2 ARG 25 4.618 -12.151 18.625 1.00 11.02 ATOM 408 NE ARG 25 4.615 -13.107 20.473 1.00 52.41 ATOM 409 HE ARG 25 4.007 -13.868 20.601 1.00 72.41 ATOM 410 CZ ARG 25 5.800 -13.138 21.071 1.00 3.53 ATOM 411 NH1 ARG 25 6.662 -12.145 20.895 1.00 34.02 ATOM 412 HH11 ARG 25 6.450 -11.363 20.316 1.00 4.11 ATOM 413 HH12 ARG 25 7.552 -12.178 21.355 1.00 62.21 ATOM 414 NH2 ARG 25 6.126 -14.163 21.848 1.00 2.33 ATOM 415 HH21 ARG 25 5.480 -14.916 21.986 1.00 44.44 ATOM 416 HH22 ARG 25 7.020 -14.189 22.300 1.00 64.10 ATOM 417 C ARG 25 0.899 -12.525 22.865 1.00 0.12 ATOM 418 O ARG 25 1.546 -12.202 23.862 1.00 40.55 ATOM 419 N LYS 26 -0.429 -12.547 22.842 1.00 13.33 ATOM 420 HN LYS 26 -0.905 -12.778 22.014 1.00 35.64 ATOM 421 CA LYS 26 -1.221 -12.186 24.012 1.00 12.51 ATOM 422 HA LYS 26 -0.701 -11.403 24.554 1.00 11.05 ATOM 423 CB LYS 26 -2.596 -11.667 23.583 1.00 63.32 ATOM 424 HB1 LYS 26 -3.313 -11.864 24.375 1.00 35.64 ATOM 425 HB2 LYS 26 -2.913 -12.193 22.693 1.00 73.44 ATOM 426 CG LYS 26 -2.619 -10.178 23.286 1.00 2.12 ATOM 427 HG1 LYS 26 -2.185 -10.014 22.309 1.00 35.64 ATOM 428 HG2 LYS 26 -2.038 -9.654 24.034 1.00 4.31 ATOM 429 CD LYS 26 -4.035 -9.628 23.300 1.00 34.43 ATOM 430 HD1 LYS 26 -4.436 -9.720 24.299 1.00 35.64 ATOM 431 HD2 LYS 26 -4.646 -10.197 22.612 1.00 73.13 ATOM 432 CE LYS 26 -4.069 -8.164 22.889 1.00 34.42 ATOM 433 HE1 LYS 26 -3.231 -7.641 23.332 1.00 35.64 ATOM 434 HE2 LYS 26 -4.989 -7.729 23.252 1.00 61.14 ATOM 435 NZ LYS 26 -4.018 -8.002 21.410 1.00 63.32 ATOM 436 HZ1 LYS 26 -3.141 -8.417 21.030 1.00 41.55 ATOM 437 HZ2 LYS 26 -4.042 -6.992 21.163 1.00 22.43 ATOM 438 HZ3 LYS 26 -4.834 -8.473 20.966 1.00 45.41 ATOM 439 C LYS 26 -1.386 -13.379 24.948 1.00 64.04 ATOM 440 O LYS 26 -1.592 -13.213 26.149 1.00 24.55 ATOM 441 N MET 27 -1.292 -14.581 24.388 1.00 2.11 ATOM 442 HN MET 27 -1.151 -14.667 23.425 1.00 35.64 ATOM 443 CA MET 27 -1.428 -15.802 25.174 1.00 45.11 ATOM 444 HA MET 27 -1.757 -15.551 26.176 1.00 50.43 ATOM 445 CB MET 27 -2.471 -16.726 24.544 1.00 54.12 ATOM 446 HB1 MET 27 -2.525 -17.643 25.113 1.00 35.64 ATOM 447 HB2 MET 27 -2.166 -16.959 23.534 1.00 1.42 ATOM 448 CG MET 27 -3.864 -16.120 24.487 1.00 13.11 ATOM 449 HG1 MET 27 -3.919 -15.461 23.633 1.00 35.64 ATOM 450 HG2 MET 27 -4.045 -15.552 25.390 1.00 74.43 ATOM 451 SD MET 27 -5.158 -17.366 24.337 1.00 35.45 ATOM 452 CE MET 27 -4.548 -18.323 22.952 1.00 75.24 ATOM 453 HE1 MET 27 -3.647 -18.844 23.241 1.00 3.35 ATOM 454 HE2 MET 27 -4.333 -17.663 22.125 1.00 35.44 ATOM 455 HE3 MET 27 -5.297 -19.041 22.654 1.00 35.34 ATOM 456 C MET 27 -0.091 -16.528 25.286 1.00 4.42 ATOM 457 O MET 27 0.940 -16.020 24.847 1.00 3.00 ATOM 458 N ASN 28 -0.116 -17.718 25.877 1.00 11.35 ATOM 459 HN ASN 28 -0.958 -18.074 26.238 1.00 35.64 ATOM 460 CA ASN 28 1.095 -18.513 26.048 1.00 12.50 ATOM 461 HA ASN 28 1.962 -17.884 25.873 1.00 64.24 ATOM 462 CB ASN 28 1.165 -19.075 27.469 1.00 11.53 ATOM 463 HB1 ASN 28 1.806 -19.948 27.491 1.00 35.64 ATOM 464 HB2 ASN 28 0.175 -19.354 27.785 1.00 62.02 ATOM 465 CG ASN 28 1.714 -18.069 28.462 1.00 4.43 ATOM 466 OD1 ASN 28 2.212 -17.010 28.079 1.00 5.02 ATOM 467 ND2 ASN 28 1.626 -18.396 29.746 1.00 21.12 ATOM 468 HD21 ASN 28 1.226 -19.258 29.986 1.00 61.31 ATOM 469 HD22 ASN 28 1.967 -17.757 30.407 1.00 51.23 ATOM 470 C ASN 28 1.144 -19.653 25.035 1.00 2.43 ATOM 471 O ASN 28 0.121 -20.041 24.471 1.00 53.03 ATOM 472 N LEU 29 2.340 -20.185 24.811 1.00 62.34 ATOM 473 HN LEU 29 3.129 -19.825 25.282 1.00 35.64 ATOM 474 CA LEU 29 2.524 -21.282 23.866 1.00 21.04 ATOM 475 HA LEU 29 1.581 -21.793 23.738 1.00 32.21 ATOM 476 CB LEU 29 2.967 -20.741 22.506 1.00 4.10 ATOM 477 HB1 LEU 29 2.795 -21.514 21.775 1.00 35.64 ATOM 478 HB2 LEU 29 4.035 -20.548 22.550 1.00 31.32 ATOM 479 CG LEU 29 2.275 -19.462 22.035 1.00 42.44 ATOM 480 HG LEU 29 2.291 -18.725 22.820 1.00 40.30 ATOM 481 CD1 LEU 29 3.014 -18.861 20.849 1.00 3.52 ATOM 482 HD11 LEU 29 4.078 -18.849 21.049 1.00 1.32 ATOM 483 HD12 LEU 29 2.684 -17.850 20.692 1.00 23.44 ATOM 484 HD13 LEU 29 2.827 -19.446 19.958 1.00 71.31 ATOM 485 CD2 LEU 29 0.824 -19.742 21.674 1.00 73.43 ATOM 486 HD21 LEU 29 0.440 -20.575 22.243 1.00 44.22 ATOM 487 HD22 LEU 29 0.738 -19.976 20.620 1.00 72.31 ATOM 488 HD23 LEU 29 0.231 -18.866 21.891 1.00 14.11 ATOM 489 C LEU 29 3.550 -22.283 24.387 1.00 5.24 ATOM 490 O LEU 29 4.499 -21.913 25.080 1.00 43.20 ATOM 491 N THR 30 3.356 -23.553 24.048 1.00 32.51 ATOM 492 HN THR 30 2.572 -23.789 23.498 1.00 35.64 ATOM 493 CA THR 30 4.264 -24.608 24.480 1.00 5.23 ATOM 494 HA THR 30 4.228 -24.662 25.560 1.00 44.41 ATOM 495 CB THR 30 3.843 -25.978 23.917 1.00 65.12 ATOM 496 HB THR 30 2.835 -26.190 24.243 1.00 12.23 ATOM 497 OG1 THR 30 4.719 -26.999 24.407 1.00 23.51 ATOM 498 HG1 THR 30 4.454 -27.253 25.295 1.00 54.30 ATOM 499 CG2 THR 30 3.869 -25.969 22.396 1.00 55.31 ATOM 500 HG21 THR 30 4.830 -25.647 22.031 1.00 74.34 ATOM 501 HG22 THR 30 3.101 -25.310 22.035 1.00 25.34 ATOM 502 HG23 THR 30 3.671 -26.968 22.036 1.00 12.03 ATOM 503 C THR 30 5.696 -24.311 24.048 1.00 31.31 ATOM 504 O THR 30 5.935 -23.433 23.219 1.00 13.12 ATOM 505 N ARG 31 6.645 -25.050 24.614 1.00 11.31 ATOM 506 HN ARG 31 6.390 -25.750 25.262 1.00 35.64 ATOM 507 CA ARG 31 8.054 -24.865 24.287 1.00 54.01 ATOM 508 HA ARG 31 8.247 -23.802 24.179 1.00 20.34 ATOM 509 CB ARG 31 8.936 -25.418 25.408 1.00 41.24 ATOM 510 HB1 ARG 31 9.944 -25.562 25.032 1.00 35.64 ATOM 511 HB2 ARG 31 8.543 -26.372 25.727 1.00 43.40 ATOM 512 CG ARG 31 9.020 -24.508 26.622 1.00 14.31 ATOM 513 HG1 ARG 31 8.049 -24.470 27.095 1.00 35.64 ATOM 514 HG2 ARG 31 9.305 -23.516 26.301 1.00 2.13 ATOM 515 CD ARG 31 10.046 -25.010 27.625 1.00 23.11 ATOM 516 HD1 ARG 31 11.019 -24.636 27.342 1.00 35.64 ATOM 517 HD2 ARG 31 10.057 -26.094 27.603 1.00 12.55 ATOM 518 NE ARG 31 9.745 -24.568 28.984 1.00 24.32 ATOM 519 HE ARG 31 9.082 -23.847 29.099 1.00 1.14 ATOM 520 CZ ARG 31 10.319 -25.081 30.067 1.00 11.44 ATOM 521 NH1 ARG 31 11.219 -26.047 29.951 1.00 70.12 ATOM 522 HH11 ARG 31 11.488 -26.407 29.061 1.00 35.15 ATOM 523 HH12 ARG 31 11.643 -26.428 30.775 1.00 62.31 ATOM 524 NH2 ARG 31 9.993 -24.626 31.270 1.00 14.34 ATOM 525 HH21 ARG 31 9.314 -23.895 31.365 1.00 33.02 ATOM 526 HH22 ARG 31 10.424 -25.011 32.089 1.00 45.12 ATOM 527 C ARG 31 8.400 -25.549 22.968 1.00 73.52 ATOM 528 O ARG 31 9.184 -26.496 22.935 1.00 24.42 ATOM 529 N GLY 32 7.808 -25.063 21.881 1.00 35.12 ATOM 530 HN GLY 32 7.242 -24.269 21.953 1.00 35.64 ATOM 531 CA GLY 32 8.065 -25.640 20.575 1.00 61.22 ATOM 532 HA1 GLY 32 8.540 -26.609 20.674 1.00 35.64 ATOM 533 HA2 GLY 32 8.732 -24.985 20.036 1.00 61.42 ATOM 534 C GLY 32 6.800 -25.815 19.758 1.00 11.43 ATOM 535 O GLY 32 6.645 -26.807 19.046 1.00 42.12 ATOM 536 N ILE 33 5.893 -24.850 19.863 1.00 54.43 ATOM 537 HN ILE 33 6.078 -24.064 20.419 1.00 35.64 ATOM 538 CA ILE 33 4.635 -24.902 19.128 1.00 14.24 ATOM 539 HA ILE 33 4.214 -25.896 19.259 1.00 32.54 ATOM 540 CB ILE 33 3.623 -23.876 19.671 1.00 14.34 ATOM 541 HB ILE 33 3.580 -23.961 20.733 1.00 10.45 ATOM 542 CG1 ILE 33 2.234 -24.136 19.083 1.00 2.44 ATOM 543 HG11 ILE 33 1.918 -25.129 19.352 1.00 35.64 ATOM 544 HG12 ILE 33 2.266 -24.050 18.008 1.00 11.15 ATOM 545 CG2 ILE 33 4.082 -22.460 19.354 1.00 34.33 ATOM 546 HG21 ILE 33 3.465 -21.755 19.881 1.00 52.25 ATOM 547 HG22 ILE 33 4.001 -22.266 18.294 1.00 3.55 ATOM 548 HG23 ILE 33 5.109 -22.325 19.663 1.00 45.41 ATOM 549 CD1 ILE 33 1.178 -23.173 19.580 1.00 60.15 ATOM 550 HD11 ILE 33 1.396 -22.174 19.235 1.00 1.33 ATOM 551 HD12 ILE 33 1.147 -23.187 20.660 1.00 24.34 ATOM 552 HD13 ILE 33 0.233 -23.485 19.190 1.00 24.44 ATOM 553 C ILE 33 4.855 -24.644 17.642 1.00 72.04 ATOM 554 O ILE 33 5.680 -23.815 17.261 1.00 62.22 ATOM 555 N ASN 34 4.109 -25.359 16.806 1.00 60.32 ATOM 556 HN ASN 34 3.459 -26.007 17.162 1.00 35.64 ATOM 557 CA ASN 34 4.222 -25.207 15.360 1.00 74.13 ATOM 558 HA ASN 34 4.990 -24.469 15.146 1.00 23.25 ATOM 559 CB ASN 34 4.623 -26.536 14.716 1.00 52.11 ATOM 560 HB1 ASN 34 3.757 -27.058 14.349 1.00 35.64 ATOM 561 HB2 ASN 34 5.111 -27.156 15.455 1.00 2.01 ATOM 562 CG ASN 34 5.592 -26.351 13.565 1.00 65.03 ATOM 563 OD1 ASN 34 6.768 -26.048 13.771 1.00 53.00 ATOM 564 ND2 ASN 34 5.103 -26.533 12.344 1.00 72.02 ATOM 565 HD21 ASN 34 4.156 -26.775 12.236 1.00 34.02 ATOM 566 HD22 ASN 34 5.715 -26.417 11.587 1.00 10.53 ATOM 567 C ASN 34 2.908 -24.715 14.761 1.00 73.15 ATOM 568 O ASN 34 1.989 -25.500 14.523 1.00 55.13 ATOM 569 N LEU 35 2.826 -23.412 14.518 1.00 10.52 ATOM 570 HN LEU 35 3.600 -22.833 14.720 1.00 35.64 ATOM 571 CA LEU 35 1.625 -22.814 13.946 1.00 52.43 ATOM 572 HA LEU 35 0.771 -23.228 14.443 1.00 72.45 ATOM 573 CB LEU 35 1.623 -21.302 14.179 1.00 51.21 ATOM 574 HB1 LEU 35 0.699 -20.888 13.795 1.00 35.64 ATOM 575 HB2 LEU 35 2.443 -20.901 13.602 1.00 20.34 ATOM 576 CG LEU 35 1.817 -20.846 15.625 1.00 11.44 ATOM 577 HG LEU 35 2.479 -21.528 16.140 1.00 24.11 ATOM 578 CD1 LEU 35 2.461 -19.468 15.669 1.00 34.41 ATOM 579 HD11 LEU 35 3.409 -19.495 15.150 1.00 61.13 ATOM 580 HD12 LEU 35 2.627 -19.178 16.698 1.00 73.14 ATOM 581 HD13 LEU 35 1.810 -18.748 15.194 1.00 20.22 ATOM 582 CD2 LEU 35 0.487 -20.839 16.365 1.00 2.44 ATOM 583 HD21 LEU 35 -0.191 -20.148 15.889 1.00 21.52 ATOM 584 HD22 LEU 35 0.644 -20.538 17.392 1.00 61.01 ATOM 585 HD23 LEU 35 0.058 -21.831 16.348 1.00 1.40 ATOM 586 C LEU 35 1.528 -23.109 12.452 1.00 31.34 ATOM 587 O LEU 35 0.434 -23.173 11.892 1.00 54.31 ATOM 588 N ARG 36 2.680 -23.291 11.815 1.00 75.54 ATOM 589 HN ARG 36 3.530 -23.205 12.305 1.00 35.64 ATOM 590 CA ARG 36 2.724 -23.582 10.387 1.00 44.24 ATOM 591 HA ARG 36 2.347 -22.719 9.864 1.00 61.50 ATOM 592 CB ARG 36 4.164 -23.854 9.945 1.00 55.32 ATOM 593 HB1 ARG 36 4.466 -24.838 10.284 1.00 35.64 ATOM 594 HB2 ARG 36 4.808 -23.116 10.407 1.00 72.10 ATOM 595 CG ARG 36 4.363 -23.779 8.440 1.00 71.52 ATOM 596 HG1 ARG 36 4.047 -22.806 8.091 1.00 35.64 ATOM 597 HG2 ARG 36 3.763 -24.544 7.969 1.00 11.43 ATOM 598 CD ARG 36 5.820 -23.993 8.060 1.00 52.33 ATOM 599 HD1 ARG 36 5.865 -24.223 7.005 1.00 35.64 ATOM 600 HD2 ARG 36 6.223 -24.826 8.622 1.00 3.40 ATOM 601 NE ARG 36 6.632 -22.807 8.318 1.00 40.23 ATOM 602 HE ARG 36 6.199 -22.037 8.756 1.00 15.12 ATOM 603 CZ ARG 36 7.918 -22.713 7.997 1.00 12.35 ATOM 604 NH1 ARG 36 8.534 -23.729 7.410 1.00 41.12 ATOM 605 HH11 ARG 36 8.051 -24.578 7.199 1.00 21.14 ATOM 606 HH12 ARG 36 9.504 -23.649 7.171 1.00 61.14 ATOM 607 NH2 ARG 36 8.590 -21.600 8.265 1.00 74.14 ATOM 608 HH21 ARG 36 8.130 -20.829 8.710 1.00 3.23 ATOM 609 HH22 ARG 36 9.560 -21.526 8.024 1.00 20.35 ATOM 610 C ARG 36 1.842 -24.779 10.047 1.00 31.53 ATOM 611 O ARG 36 1.220 -24.826 8.985 1.00 4.25 ATOM 612 N LYS 37 1.792 -25.747 10.956 1.00 21.42 ATOM 613 HN LYS 37 2.314 -25.665 11.787 1.00 35.64 ATOM 614 CA LYS 37 0.986 -26.946 10.755 1.00 11.42 ATOM 615 HA LYS 37 1.083 -27.258 9.722 1.00 62.41 ATOM 616 CB LYS 37 1.487 -28.079 11.654 1.00 52.25 ATOM 617 HB1 LYS 37 1.560 -27.714 12.670 1.00 35.64 ATOM 618 HB2 LYS 37 2.474 -28.367 11.318 1.00 44.10 ATOM 619 CG LYS 37 0.603 -29.314 11.625 1.00 52.31 ATOM 620 HG1 LYS 37 1.232 -30.191 11.706 1.00 35.64 ATOM 621 HG2 LYS 37 0.065 -29.355 10.685 1.00 54.23 ATOM 622 CD LYS 37 -0.406 -29.304 12.761 1.00 0.31 ATOM 623 HD1 LYS 37 -1.308 -29.784 12.420 1.00 35.64 ATOM 624 HD2 LYS 37 -0.634 -28.292 13.060 1.00 53.02 ATOM 625 CE LYS 37 0.117 -30.052 13.978 1.00 42.14 ATOM 626 HE1 LYS 37 -0.324 -29.610 14.855 1.00 35.64 ATOM 627 HE2 LYS 37 1.191 -29.971 14.028 1.00 75.32 ATOM 628 NZ LYS 37 -0.251 -31.494 13.942 1.00 20.42 ATOM 629 HZ1 LYS 37 0.149 -31.949 13.095 1.00 2.33 ATOM 630 HZ2 LYS 37 -1.286 -31.604 13.925 1.00 34.30 ATOM 631 HZ3 LYS 37 0.120 -31.975 14.786 1.00 0.21 ATOM 632 C LYS 37 -0.485 -26.666 11.044 1.00 35.23 ATOM 633 O LYS 37 -1.372 -27.287 10.456 1.00 23.05 ATOM 634 N ILE 38 -0.738 -25.728 11.951 1.00 61.30 ATOM 635 HN ILE 38 0.006 -25.264 12.375 1.00 35.64 ATOM 636 CA ILE 38 -2.102 -25.366 12.315 1.00 41.21 ATOM 637 HA ILE 38 -2.617 -26.267 12.625 1.00 71.25 ATOM 638 CB ILE 38 -2.125 -24.359 13.480 1.00 10.02 ATOM 639 HB ILE 38 -1.717 -23.418 13.133 1.00 22.43 ATOM 640 CG1 ILE 38 -1.268 -24.869 14.640 1.00 4.34 ATOM 641 HG11 ILE 38 -1.312 -24.159 15.455 1.00 35.64 ATOM 642 HG12 ILE 38 -0.254 -24.967 14.322 1.00 4.14 ATOM 643 CG2 ILE 38 -3.554 -24.113 13.939 1.00 15.31 ATOM 644 HG21 ILE 38 -4.128 -23.677 13.135 1.00 35.51 ATOM 645 HG22 ILE 38 -3.552 -23.424 14.769 1.00 22.10 ATOM 646 HG23 ILE 38 -4.016 -25.039 14.243 1.00 52.21 ATOM 647 CD1 ILE 38 -1.711 -26.213 15.175 1.00 51.44 ATOM 648 HD11 ILE 38 -2.675 -26.493 14.787 1.00 22.53 ATOM 649 HD12 ILE 38 -1.766 -26.165 16.252 1.00 42.23 ATOM 650 HD13 ILE 38 -0.985 -26.962 14.893 1.00 33.52 ATOM 651 C ILE 38 -2.848 -24.768 11.127 1.00 65.04 ATOM 652 O ILE 38 -3.928 -25.231 10.762 1.00 10.23 ATOM 653 N ALA 39 -2.262 -23.738 10.525 1.00 2.10 ATOM 654 HN ALA 39 -1.393 -23.412 10.864 1.00 35.64 ATOM 655 CA ALA 39 -2.869 -23.079 9.375 1.00 25.00 ATOM 656 HA ALA 39 -3.833 -22.691 9.677 1.00 30.12 ATOM 657 CB ALA 39 -2.011 -21.905 8.926 1.00 20.03 ATOM 658 HB1 ALA 39 -1.127 -22.262 8.414 1.00 43.13 ATOM 659 HB2 ALA 39 -1.713 -21.329 9.790 1.00 42.41 ATOM 660 HB3 ALA 39 -2.584 -21.278 8.266 1.00 42.32 ATOM 661 C ALA 39 -3.071 -24.059 8.224 1.00 21.14 ATOM 662 O ALA 39 -4.007 -23.922 7.438 1.00 13.32 ATOM 663 N GLU 40 -2.186 -25.047 8.132 1.00 33.22 ATOM 664 HN GLU 40 -1.441 -25.099 8.774 1.00 35.64 ATOM 665 CA GLU 40 -2.268 -26.049 7.076 1.00 54.13 ATOM 666 HA GLU 40 -2.230 -25.536 6.122 1.00 23.44 ATOM 667 CB GLU 40 -1.092 -27.023 7.173 1.00 12.32 ATOM 668 HB1 GLU 40 -1.372 -27.973 6.732 1.00 35.64 ATOM 669 HB2 GLU 40 -0.849 -27.183 8.208 1.00 22.42 ATOM 670 CG GLU 40 0.160 -26.537 6.463 1.00 23.30 ATOM 671 HG1 GLU 40 0.459 -25.593 6.883 1.00 35.64 ATOM 672 HG2 GLU 40 -0.069 -26.404 5.416 1.00 72.01 ATOM 673 CD GLU 40 1.313 -27.515 6.580 1.00 5.05 ATOM 674 OE1 GLU 40 2.469 -27.057 6.697 1.00 4.45 ATOM 675 OE2 GLU 40 1.061 -28.737 6.555 1.00 34.52 ATOM 676 C GLU 40 -3.585 -26.816 7.154 1.00 15.41 ATOM 677 O GLU 40 -4.030 -27.411 6.172 1.00 51.45 ATOM 678 N LEU 41 -4.205 -26.797 8.329 1.00 24.33 ATOM 679 HN LEU 41 -3.796 -26.353 9.099 1.00 35.64 ATOM 680 CA LEU 41 -5.471 -27.491 8.538 1.00 40.23 ATOM 681 HA LEU 41 -5.562 -28.290 7.811 1.00 44.11 ATOM 682 CB LEU 41 -5.512 -28.110 9.936 1.00 62.22 ATOM 683 HB1 LEU 41 -6.453 -28.637 10.051 1.00 35.64 ATOM 684 HB2 LEU 41 -5.497 -27.293 10.651 1.00 61.45 ATOM 685 CG LEU 41 -4.371 -29.068 10.279 1.00 24.30 ATOM 686 HG LEU 41 -3.444 -28.690 9.869 1.00 52.52 ATOM 687 CD1 LEU 41 -4.196 -29.173 11.786 1.00 12.32 ATOM 688 HD11 LEU 41 -3.403 -29.869 12.013 1.00 74.45 ATOM 689 HD12 LEU 41 -5.115 -29.521 12.237 1.00 44.41 ATOM 690 HD13 LEU 41 -3.944 -28.202 12.189 1.00 54.11 ATOM 691 CD2 LEU 41 -4.626 -30.441 9.674 1.00 52.24 ATOM 692 HD21 LEU 41 -4.719 -30.352 8.600 1.00 63.34 ATOM 693 HD22 LEU 41 -5.539 -30.856 10.080 1.00 64.41 ATOM 694 HD23 LEU 41 -3.799 -31.099 9.905 1.00 12.35 ATOM 695 C LEU 41 -6.649 -26.539 8.356 1.00 32.31 ATOM 696 O LEU 41 -7.723 -26.751 8.919 1.00 1.10 ATOM 697 N MET 42 -6.441 -25.492 7.565 1.00 61.23 ATOM 698 HN MET 42 -5.584 -25.357 7.125 1.00 35.64 ATOM 699 CA MET 42 -7.488 -24.510 7.306 1.00 25.11 ATOM 700 HA MET 42 -8.392 -24.794 7.833 1.00 54.31 ATOM 701 CB MET 42 -7.059 -23.131 7.812 1.00 60.31 ATOM 702 HB1 MET 42 -7.742 -22.379 7.432 1.00 35.64 ATOM 703 HB2 MET 42 -6.077 -22.914 7.434 1.00 3.22 ATOM 704 CG MET 42 -7.019 -23.026 9.328 1.00 51.52 ATOM 705 HG1 MET 42 -6.331 -22.236 9.591 1.00 35.64 ATOM 706 HG2 MET 42 -6.654 -23.954 9.738 1.00 60.11 ATOM 707 SD MET 42 -8.635 -22.664 10.042 1.00 40.05 ATOM 708 CE MET 42 -8.321 -21.073 10.802 1.00 21.11 ATOM 709 HE1 MET 42 -7.416 -21.127 11.389 1.00 74.12 ATOM 710 HE2 MET 42 -9.151 -20.809 11.441 1.00 2.44 ATOM 711 HE3 MET 42 -8.207 -20.323 10.033 1.00 51.53 ATOM 712 C MET 42 -7.812 -24.440 5.817 1.00 25.21 ATOM 713 O MET 42 -7.538 -23.446 5.144 1.00 74.20 ATOM 714 N PRO 43 -8.407 -25.520 5.289 1.00 55.51 ATOM 715 CA PRO 43 -8.782 -25.604 3.874 1.00 25.31 ATOM 716 HA PRO 43 -7.940 -25.395 3.228 1.00 23.14 ATOM 717 CB PRO 43 -9.203 -27.066 3.706 1.00 63.35 ATOM 718 HB1 PRO 43 -8.354 -27.643 3.371 1.00 35.64 ATOM 719 HB2 PRO 43 -10.006 -27.161 2.985 1.00 53.25 ATOM 720 CG PRO 43 -9.632 -27.496 5.066 1.00 63.21 ATOM 721 HG1 PRO 43 -9.487 -28.559 5.183 1.00 35.64 ATOM 722 HG2 PRO 43 -10.657 -27.235 5.224 1.00 71.31 ATOM 723 CD PRO 43 -8.763 -26.740 6.032 1.00 24.04 ATOM 724 HD1 PRO 43 -7.884 -27.323 6.243 1.00 35.64 ATOM 725 HD2 PRO 43 -9.296 -26.522 6.938 1.00 4.21 ATOM 726 C PRO 43 -9.937 -24.673 3.523 1.00 30.31 ATOM 727 O PRO 43 -11.102 -25.062 3.589 1.00 33.11 ATOM 728 N GLY 44 -9.606 -23.441 3.149 1.00 3.01 ATOM 729 HN GLY 44 -8.659 -23.175 3.111 1.00 35.64 ATOM 730 CA GLY 44 -10.628 -22.474 2.793 1.00 45.01 ATOM 731 HA1 GLY 44 -11.477 -22.976 2.343 1.00 35.64 ATOM 732 HA2 GLY 44 -10.212 -21.790 2.068 1.00 44.15 ATOM 733 C GLY 44 -11.108 -21.672 3.986 1.00 33.42 ATOM 734 O GLY 44 -12.230 -21.859 4.456 1.00 12.23 ATOM 735 N ALA 45 -10.257 -20.779 4.479 1.00 42.44 ATOM 736 HN ALA 45 -9.363 -20.683 4.072 1.00 35.64 ATOM 737 CA ALA 45 -10.601 -19.946 5.624 1.00 12.32 ATOM 738 HA ALA 45 -11.681 -19.875 5.698 1.00 63.14 ATOM 739 CB ALA 45 -10.088 -20.578 6.910 1.00 50.15 ATOM 740 HB1 ALA 45 -9.007 -20.611 6.894 1.00 31.42 ATOM 741 HB2 ALA 45 -10.472 -21.579 6.988 1.00 34.13 ATOM 742 HB3 ALA 45 -10.416 -20.002 7.755 1.00 63.31 ATOM 743 C ALA 45 -10.042 -18.536 5.466 1.00 50.12 ATOM 744 O ALA 45 -9.081 -18.318 4.728 1.00 21.32 ATOM 745 N SER 46 -10.650 -17.581 6.162 1.00 35.23 ATOM 746 HN SER 46 -11.411 -17.809 6.745 1.00 35.64 ATOM 747 CA SER 46 -10.216 -16.191 6.095 1.00 2.11 ATOM 748 HA SER 46 -9.412 -16.098 5.376 1.00 33.20 ATOM 749 CB SER 46 -11.370 -15.295 5.641 1.00 63.12 ATOM 750 HB1 SER 46 -11.812 -15.710 4.746 1.00 35.64 ATOM 751 HB2 SER 46 -10.998 -14.305 5.428 1.00 71.40 ATOM 752 OG SER 46 -12.368 -15.202 6.642 1.00 0.03 ATOM 753 HG SER 46 -12.951 -15.963 6.588 1.00 12.51 ATOM 754 C SER 46 -9.693 -15.719 7.449 1.00 72.13 ATOM 755 O SER 46 -9.632 -16.490 8.406 1.00 43.42 ATOM 756 N GLY 47 -9.317 -14.446 7.520 1.00 54.32 ATOM 757 HN GLY 47 -9.360 -13.869 6.726 1.00 35.64 ATOM 758 CA GLY 47 -8.805 -13.892 8.759 1.00 4.33 ATOM 759 HA1 GLY 47 -8.631 -12.835 8.621 1.00 35.64 ATOM 760 HA2 GLY 47 -7.866 -14.371 8.998 1.00 1.10 ATOM 761 C GLY 47 -9.762 -14.082 9.919 1.00 23.12 ATOM 762 O GLY 47 -9.341 -14.369 11.039 1.00 23.33 ATOM 763 N ALA 48 -11.053 -13.920 9.651 1.00 33.32 ATOM 764 HN ALA 48 -11.333 -13.675 8.737 1.00 35.64 ATOM 765 CA ALA 48 -12.073 -14.077 10.681 1.00 3.43 ATOM 766 HA ALA 48 -11.883 -13.347 11.457 1.00 4.43 ATOM 767 CB ALA 48 -13.453 -13.799 10.104 1.00 1.25 ATOM 768 HB1 ALA 48 -13.468 -12.808 9.675 1.00 14.14 ATOM 769 HB2 ALA 48 -14.195 -13.861 10.888 1.00 4.42 ATOM 770 HB3 ALA 48 -13.679 -14.525 9.335 1.00 14.52 ATOM 771 C ALA 48 -12.024 -15.472 11.294 1.00 34.12 ATOM 772 O ALA 48 -12.054 -15.625 12.515 1.00 43.42 ATOM 773 N GLU 49 -11.951 -16.487 10.439 1.00 71.03 ATOM 774 HN GLU 49 -11.934 -16.303 9.469 1.00 35.64 ATOM 775 CA GLU 49 -11.901 -17.870 10.898 1.00 65.12 ATOM 776 HA GLU 49 -12.784 -18.058 11.497 1.00 1.35 ATOM 777 CB GLU 49 -11.887 -18.827 9.704 1.00 42.01 ATOM 778 HB1 GLU 49 -11.456 -19.775 10.007 1.00 35.64 ATOM 779 HB2 GLU 49 -11.271 -18.405 8.922 1.00 60.34 ATOM 780 CG GLU 49 -13.268 -19.115 9.139 1.00 24.41 ATOM 781 HG1 GLU 49 -13.960 -19.288 9.953 1.00 35.64 ATOM 782 HG2 GLU 49 -13.209 -20.004 8.529 1.00 32.04 ATOM 783 CD GLU 49 -13.796 -17.982 8.281 1.00 4.25 ATOM 784 OE1 GLU 49 -14.716 -17.272 8.739 1.00 44.42 ATOM 785 OE2 GLU 49 -13.290 -17.805 7.154 1.00 44.12 ATOM 786 C GLU 49 -10.671 -18.109 11.770 1.00 71.45 ATOM 787 O GLU 49 -10.721 -18.868 12.738 1.00 0.41 ATOM 788 N VAL 50 -9.567 -17.457 11.418 1.00 75.33 ATOM 789 HN VAL 50 -9.589 -16.855 10.640 1.00 35.64 ATOM 790 CA VAL 50 -8.325 -17.598 12.167 1.00 3.22 ATOM 791 HA VAL 50 -8.052 -18.647 12.175 1.00 41.44 ATOM 792 CB VAL 50 -7.180 -16.805 11.509 1.00 1.34 ATOM 793 HB VAL 50 -7.451 -15.762 11.484 1.00 23.42 ATOM 794 CG1 VAL 50 -5.902 -16.938 12.323 1.00 3.41 ATOM 795 HG11 VAL 50 -5.752 -17.974 12.598 1.00 35.30 ATOM 796 HG12 VAL 50 -5.971 -16.334 13.215 1.00 2.32 ATOM 797 HG13 VAL 50 -5.060 -16.605 11.739 1.00 51.33 ATOM 798 CG2 VAL 50 -6.962 -17.273 10.078 1.00 2.54 ATOM 799 HG21 VAL 50 -6.173 -16.691 9.624 1.00 41.11 ATOM 800 HG22 VAL 50 -7.857 -17.151 9.510 1.00 42.01 ATOM 801 HG23 VAL 50 -6.678 -18.316 10.077 1.00 41.41 ATOM 802 C VAL 50 -8.494 -17.125 13.606 1.00 15.25 ATOM 803 O VAL 50 -8.013 -17.763 14.543 1.00 45.13 ATOM 804 N LYS 51 -9.184 -16.002 13.777 1.00 44.41 ATOM 805 HN LYS 51 -9.537 -15.526 12.988 1.00 35.64 ATOM 806 CA LYS 51 -9.420 -15.442 15.102 1.00 2.14 ATOM 807 HA LYS 51 -8.456 -15.195 15.529 1.00 72.11 ATOM 808 CB LYS 51 -10.271 -14.175 14.999 1.00 13.51 ATOM 809 HB1 LYS 51 -11.322 -14.436 15.026 1.00 35.64 ATOM 810 HB2 LYS 51 -10.063 -13.705 14.046 1.00 33.21 ATOM 811 CG LYS 51 -10.003 -13.169 16.106 1.00 63.44 ATOM 812 HG1 LYS 51 -8.968 -13.248 16.419 1.00 35.64 ATOM 813 HG2 LYS 51 -10.643 -13.395 16.948 1.00 3.20 ATOM 814 CD LYS 51 -10.251 -11.745 15.638 1.00 62.24 ATOM 815 HD1 LYS 51 -10.025 -11.651 14.583 1.00 35.64 ATOM 816 HD2 LYS 51 -9.603 -11.086 16.197 1.00 53.52 ATOM 817 CE LYS 51 -11.691 -11.321 15.883 1.00 43.22 ATOM 818 HE1 LYS 51 -11.774 -10.946 16.892 1.00 35.64 ATOM 819 HE2 LYS 51 -12.348 -12.173 15.762 1.00 53.31 ATOM 820 NZ LYS 51 -12.124 -10.256 14.937 1.00 43.54 ATOM 821 HZ1 LYS 51 -12.057 -10.595 13.954 1.00 21.55 ATOM 822 HZ2 LYS 51 -11.524 -9.412 15.043 1.00 62.23 ATOM 823 HZ3 LYS 51 -13.111 -9.989 15.131 1.00 74.24 ATOM 824 C LYS 51 -10.110 -16.458 16.007 1.00 64.10 ATOM 825 O LYS 51 -9.700 -16.666 17.148 1.00 32.23 ATOM 826 N GLY 52 -11.158 -17.090 15.488 1.00 15.33 ATOM 827 HN GLY 52 -11.454 -16.888 14.572 1.00 35.64 ATOM 828 CA GLY 52 -11.887 -18.078 16.263 1.00 41.43 ATOM 829 HA1 GLY 52 -12.632 -18.537 15.630 1.00 35.64 ATOM 830 HA2 GLY 52 -12.385 -17.583 17.085 1.00 22.35 ATOM 831 C GLY 52 -10.983 -19.161 16.818 1.00 52.34 ATOM 832 O GLY 52 -11.228 -19.688 17.903 1.00 71.12 ATOM 833 N VAL 53 -9.936 -19.495 16.071 1.00 64.30 ATOM 834 HN VAL 53 -9.788 -19.044 15.209 1.00 35.64 ATOM 835 CA VAL 53 -8.992 -20.523 16.494 1.00 33.32 ATOM 836 HA VAL 53 -9.555 -21.397 16.788 1.00 33.02 ATOM 837 CB VAL 53 -8.045 -20.923 15.347 1.00 55.21 ATOM 838 HB VAL 53 -7.463 -20.060 15.061 1.00 3.22 ATOM 839 CG1 VAL 53 -7.082 -22.008 15.803 1.00 71.13 ATOM 840 HG11 VAL 53 -6.476 -21.656 16.623 1.00 40.44 ATOM 841 HG12 VAL 53 -6.431 -22.275 14.982 1.00 3.02 ATOM 842 HG13 VAL 53 -7.634 -22.878 16.109 1.00 64.32 ATOM 843 CG2 VAL 53 -8.842 -21.380 14.134 1.00 21.32 ATOM 844 HG21 VAL 53 -9.482 -22.207 14.409 1.00 31.44 ATOM 845 HG22 VAL 53 -8.164 -21.697 13.364 1.00 2.45 ATOM 846 HG23 VAL 53 -9.441 -20.570 13.765 1.00 35.12 ATOM 847 C VAL 53 -8.162 -20.052 17.683 1.00 52.23 ATOM 848 O VAL 53 -8.094 -20.725 18.712 1.00 55.02 ATOM 849 N CYS 54 -7.533 -18.892 17.534 1.00 4.42 ATOM 850 HN CYS 54 -7.660 -18.391 16.695 1.00 35.64 ATOM 851 CA CYS 54 -6.706 -18.329 18.596 1.00 64.00 ATOM 852 HA CYS 54 -5.892 -19.015 18.787 1.00 21.42 ATOM 853 CB CYS 54 -6.124 -16.984 18.159 1.00 13.43 ATOM 854 HB1 CYS 54 -5.434 -16.634 18.914 1.00 35.64 ATOM 855 HB2 CYS 54 -6.925 -16.265 18.049 1.00 0.45 ATOM 856 SG CYS 54 -5.232 -17.040 16.588 1.00 72.04 ATOM 857 HG CYS 54 -4.162 -17.804 16.752 1.00 53.24 ATOM 858 C CYS 54 -7.512 -18.156 19.879 1.00 22.11 ATOM 859 O CYS 54 -6.997 -18.354 20.980 1.00 14.15 ATOM 860 N THR 55 -8.779 -17.784 19.730 1.00 54.10 ATOM 861 HN THR 55 -9.141 -17.631 18.826 1.00 35.64 ATOM 862 CA THR 55 -9.656 -17.581 20.876 1.00 33.22 ATOM 863 HA THR 55 -9.117 -17.005 21.621 1.00 2.00 ATOM 864 CB THR 55 -10.920 -16.792 20.484 1.00 21.23 ATOM 865 HB THR 55 -11.492 -17.376 19.774 1.00 71.14 ATOM 866 OG1 THR 55 -10.552 -15.552 19.871 1.00 53.31 ATOM 867 HG1 THR 55 -10.325 -15.702 18.950 1.00 30.33 ATOM 868 CG2 THR 55 -11.790 -16.523 21.703 1.00 24.11 ATOM 869 HG21 THR 55 -11.188 -16.116 22.505 1.00 22.31 ATOM 870 HG22 THR 55 -12.257 -17.440 22.031 1.00 1.52 ATOM 871 HG23 THR 55 -12.557 -15.810 21.439 1.00 41.01 ATOM 872 C THR 55 -10.073 -18.912 21.492 1.00 4.01 ATOM 873 O THR 55 -9.999 -19.093 22.707 1.00 72.41 ATOM 874 N GLU 56 -10.509 -19.840 20.646 1.00 41.21 ATOM 875 HN GLU 56 -10.551 -19.633 19.681 1.00 35.64 ATOM 876 CA GLU 56 -10.937 -21.155 21.109 1.00 1.42 ATOM 877 HA GLU 56 -11.745 -21.009 21.810 1.00 21.51 ATOM 878 CB GLU 56 -11.410 -22.007 19.929 1.00 3.54 ATOM 879 HB1 GLU 56 -11.232 -23.044 20.135 1.00 35.64 ATOM 880 HB2 GLU 56 -10.848 -21.729 19.057 1.00 5.13 ATOM 881 CG GLU 56 -12.886 -21.839 19.610 1.00 2.33 ATOM 882 HG1 GLU 56 -13.143 -22.503 18.797 1.00 35.64 ATOM 883 HG2 GLU 56 -13.061 -20.817 19.307 1.00 51.23 ATOM 884 CD GLU 56 -13.778 -22.155 20.794 1.00 33.54 ATOM 885 OE1 GLU 56 -13.562 -23.204 21.437 1.00 15.02 ATOM 886 OE2 GLU 56 -14.693 -21.354 21.078 1.00 10.23 ATOM 887 C GLU 56 -9.805 -21.867 21.844 1.00 35.33 ATOM 888 O GLU 56 -10.031 -22.537 22.852 1.00 63.12 ATOM 889 N ALA 57 -8.588 -21.718 21.332 1.00 74.02 ATOM 890 HN ALA 57 -8.467 -21.182 20.513 1.00 35.64 ATOM 891 CA ALA 57 -7.421 -22.345 21.939 1.00 34.54 ATOM 892 HA ALA 57 -7.577 -23.410 21.949 1.00 10.42 ATOM 893 CB ALA 57 -6.179 -22.067 21.107 1.00 61.04 ATOM 894 HB1 ALA 57 -5.331 -22.584 21.534 1.00 24.41 ATOM 895 HB2 ALA 57 -5.982 -21.004 21.090 1.00 1.13 ATOM 896 HB3 ALA 57 -6.340 -22.417 20.098 1.00 61.11 ATOM 897 C ALA 57 -7.221 -21.861 23.371 1.00 5.32 ATOM 898 O ALA 57 -6.791 -22.619 24.239 1.00 31.43 ATOM 899 N GLY 58 -7.534 -20.591 23.611 1.00 45.22 ATOM 900 HN GLY 58 -7.859 -20.012 22.887 1.00 35.64 ATOM 901 CA GLY 58 -7.379 -20.027 24.939 1.00 55.30 ATOM 902 HA1 GLY 58 -7.455 -18.956 24.862 1.00 35.64 ATOM 903 HA2 GLY 58 -6.406 -20.282 25.338 1.00 22.23 ATOM 904 C GLY 58 -8.451 -20.504 25.899 1.00 0.32 ATOM 905 O GLY 58 -8.230 -20.559 27.109 1.00 42.15 ATOM 906 N MET 59 -9.616 -20.848 25.360 1.00 10.51 ATOM 907 HN MET 59 -9.742 -20.780 24.386 1.00 35.64 ATOM 908 CA MET 59 -10.726 -21.322 26.178 1.00 11.34 ATOM 909 HA MET 59 -10.855 -20.637 27.001 1.00 45.14 ATOM 910 CB MET 59 -12.015 -21.359 25.355 1.00 11.32 ATOM 911 HB1 MET 59 -12.832 -21.679 25.986 1.00 35.64 ATOM 912 HB2 MET 59 -11.890 -22.087 24.561 1.00 74.41 ATOM 913 CG MET 59 -12.360 -20.028 24.706 1.00 61.21 ATOM 914 HG1 MET 59 -12.668 -20.217 23.688 1.00 35.64 ATOM 915 HG2 MET 59 -11.497 -19.377 24.696 1.00 11.43 ATOM 916 SD MET 59 -13.704 -19.172 25.549 1.00 52.33 ATOM 917 CE MET 59 -13.140 -19.245 27.247 1.00 0.40 ATOM 918 HE1 MET 59 -13.178 -20.264 27.601 1.00 54.52 ATOM 919 HE2 MET 59 -13.778 -18.628 27.863 1.00 32.32 ATOM 920 HE3 MET 59 -12.125 -18.880 27.305 1.00 63.55 ATOM 921 C MET 59 -10.431 -22.707 26.745 1.00 1.21 ATOM 922 O MET 59 -10.736 -22.992 27.903 1.00 32.13 ATOM 923 N TYR 60 -9.836 -23.563 25.922 1.00 34.31 ATOM 924 HN TYR 60 -9.597 -23.267 25.013 1.00 35.64 ATOM 925 CA TYR 60 -9.503 -24.919 26.341 1.00 62.51 ATOM 926 HA TYR 60 -10.399 -25.385 26.699 1.00 73.43 ATOM 927 CB TYR 60 -8.986 -25.730 25.151 1.00 25.35 ATOM 928 HB1 TYR 60 -8.965 -26.776 25.422 1.00 35.64 ATOM 929 HB2 TYR 60 -7.980 -25.406 24.914 1.00 4.40 ATOM 930 CG TYR 60 -9.833 -25.588 23.907 1.00 3.22 ATOM 931 CD1 TYR 60 -9.247 -25.413 22.660 1.00 44.22 ATOM 932 HD1 TYR 60 -8.170 -25.383 22.583 1.00 51.21 ATOM 933 CD2 TYR 60 -11.220 -25.629 23.979 1.00 22.32 ATOM 934 HD2 TYR 60 -11.696 -25.766 24.938 1.00 43.25 ATOM 935 CE1 TYR 60 -10.017 -25.281 21.521 1.00 61.43 ATOM 936 HE1 TYR 60 -9.541 -25.155 20.567 1.00 15.50 ATOM 937 CE2 TYR 60 -11.998 -25.500 22.845 1.00 31.20 ATOM 938 HE2 TYR 60 -13.075 -25.535 22.922 1.00 41.21 ATOM 939 CZ TYR 60 -11.392 -25.326 21.618 1.00 20.04 ATOM 940 OH TYR 60 -12.163 -25.197 20.486 1.00 42.03 ATOM 941 HH TYR 60 -12.767 -24.473 20.580 1.00 61.04 ATOM 942 C TYR 60 -8.459 -24.905 27.453 1.00 2.23 ATOM 943 O TYR 60 -8.553 -25.663 28.418 1.00 11.32 ATOM 944 N ALA 61 -7.464 -24.036 27.310 1.00 3.45 ATOM 945 HN ALA 61 -7.433 -23.460 26.509 1.00 35.64 ATOM 946 CA ALA 61 -6.403 -23.919 28.303 1.00 1.13 ATOM 947 HA ALA 61 -5.958 -24.896 28.441 1.00 10.32 ATOM 948 CB ALA 61 -5.316 -22.977 27.806 1.00 14.35 ATOM 949 HB1 ALA 61 -4.523 -22.913 28.539 1.00 22.31 ATOM 950 HB2 ALA 61 -5.734 -21.995 27.638 1.00 0.05 ATOM 951 HB3 ALA 61 -4.917 -23.360 26.880 1.00 11.13 ATOM 952 C ALA 61 -6.953 -23.436 29.641 1.00 74.22 ATOM 953 O ALA 61 -6.371 -23.698 30.694 1.00 13.24 ATOM 954 N LEU 62 -8.077 -22.730 29.592 1.00 15.22 ATOM 955 HN LEU 62 -8.491 -22.526 28.724 1.00 35.64 ATOM 956 CA LEU 62 -8.707 -22.209 30.801 1.00 21.40 ATOM 957 HA LEU 62 -7.930 -21.831 31.457 1.00 54.50 ATOM 958 CB LEU 62 -9.663 -21.067 30.451 1.00 64.51 ATOM 959 HB1 LEU 62 -10.493 -21.073 31.151 1.00 35.64 ATOM 960 HB2 LEU 62 -10.069 -21.264 29.468 1.00 24.34 ATOM 961 CG LEU 62 -9.058 -19.663 30.449 1.00 41.04 ATOM 962 HG LEU 62 -8.064 -19.700 30.023 1.00 74.31 ATOM 963 CD1 LEU 62 -9.893 -18.724 29.592 1.00 1.33 ATOM 964 HD11 LEU 62 -10.894 -18.652 29.996 1.00 10.24 ATOM 965 HD12 LEU 62 -9.941 -19.103 28.581 1.00 1.32 ATOM 966 HD13 LEU 62 -9.439 -17.742 29.581 1.00 73.22 ATOM 967 CD2 LEU 62 -8.941 -19.130 31.869 1.00 30.43 ATOM 968 HD21 LEU 62 -9.923 -19.066 32.318 1.00 31.23 ATOM 969 HD22 LEU 62 -8.490 -18.147 31.852 1.00 2.14 ATOM 970 HD23 LEU 62 -8.322 -19.794 32.455 1.00 12.21 ATOM 971 C LEU 62 -9.461 -23.310 31.540 1.00 70.44 ATOM 972 O LEU 62 -9.278 -23.503 32.742 1.00 52.22 ATOM 973 N ARG 63 -10.307 -24.032 30.812 1.00 53.33 ATOM 974 HN ARG 63 -10.428 -23.800 29.864 1.00 35.64 ATOM 975 CA ARG 63 -11.088 -25.114 31.398 1.00 73.44 ATOM 976 HA ARG 63 -11.660 -24.710 32.223 1.00 11.21 ATOM 977 CB ARG 63 -12.057 -25.690 30.363 1.00 33.44 ATOM 978 HB1 ARG 63 -12.777 -24.923 30.110 1.00 35.64 ATOM 979 HB2 ARG 63 -12.583 -26.533 30.795 1.00 52.14 ATOM 980 CG ARG 63 -11.379 -26.149 29.083 1.00 54.55 ATOM 981 HG1 ARG 63 -10.705 -26.962 29.306 1.00 35.64 ATOM 982 HG2 ARG 63 -10.839 -25.328 28.675 1.00 13.35 ATOM 983 CD ARG 63 -12.395 -26.610 28.049 1.00 30.52 ATOM 984 HD1 ARG 63 -13.096 -27.293 28.512 1.00 35.64 ATOM 985 HD2 ARG 63 -11.864 -27.127 27.262 1.00 24.30 ATOM 986 NE ARG 63 -13.131 -25.492 27.467 1.00 42.53 ATOM 987 HE ARG 63 -12.988 -24.595 27.851 1.00 74.24 ATOM 988 CZ ARG 63 -13.981 -25.619 26.454 1.00 14.34 ATOM 989 NH1 ARG 63 -14.203 -26.810 25.916 1.00 44.13 ATOM 990 HH11 ARG 63 -13.743 -27.629 26.256 1.00 3.33 ATOM 991 HH12 ARG 63 -14.846 -26.896 25.152 1.00 24.12 ATOM 992 NH2 ARG 63 -14.613 -24.553 25.979 1.00 33.12 ATOM 993 HH21 ARG 63 -14.451 -23.650 26.383 1.00 53.51 ATOM 994 HH22 ARG 63 -15.255 -24.646 25.215 1.00 10.24 ATOM 995 C ARG 63 -10.177 -26.218 31.926 1.00 3.02 ATOM 996 O ARG 63 -10.561 -26.983 32.809 1.00 34.45 ATOM 997 N GLU 64 -8.968 -26.293 31.379 1.00 44.15 ATOM 998 HN GLU 64 -8.712 -25.682 30.653 1.00 35.64 ATOM 999 CA GLU 64 -8.003 -27.304 31.795 1.00 44.24 ATOM 1000 HA GLU 64 -8.539 -28.170 32.170 1.00 32.24 ATOM 1001 CB GLU 64 -7.143 -27.739 30.606 1.00 24.43 ATOM 1002 HB1 GLU 64 -6.286 -28.295 30.971 1.00 35.64 ATOM 1003 HB2 GLU 64 -6.793 -26.858 30.087 1.00 43.51 ATOM 1004 CG GLU 64 -7.882 -28.615 29.609 1.00 63.32 ATOM 1005 HG1 GLU 64 -8.609 -28.014 29.087 1.00 35.64 ATOM 1006 HG2 GLU 64 -8.389 -29.406 30.144 1.00 74.52 ATOM 1007 CD GLU 64 -6.955 -29.250 28.590 1.00 4.24 ATOM 1008 OE1 GLU 64 -6.719 -28.626 27.534 1.00 21.31 ATOM 1009 OE2 GLU 64 -6.465 -30.369 28.849 1.00 71.00 ATOM 1010 C GLU 64 -7.111 -26.776 32.915 1.00 33.43 ATOM 1011 O GLU 64 -6.086 -27.375 33.241 1.00 44.45 ATOM 1012 N ARG 65 -7.510 -25.652 33.501 1.00 33.34 ATOM 1013 HN ARG 65 -8.319 -25.195 33.220 1.00 35.64 ATOM 1014 CA ARG 65 -6.748 -25.043 34.584 1.00 4.22 ATOM 1015 HA ARG 65 -7.173 -24.071 34.782 1.00 75.41 ATOM 1016 CB ARG 65 -6.846 -25.897 35.850 1.00 52.24 ATOM 1017 HB1 ARG 65 -6.511 -25.300 36.686 1.00 35.64 ATOM 1018 HB2 ARG 65 -6.190 -26.756 35.761 1.00 34.31 ATOM 1019 CG ARG 65 -8.257 -26.373 36.155 1.00 51.41 ATOM 1020 HG1 ARG 65 -8.977 -25.666 35.761 1.00 35.64 ATOM 1021 HG2 ARG 65 -8.370 -26.435 37.228 1.00 60.01 ATOM 1022 CD ARG 65 -8.526 -27.742 35.551 1.00 51.02 ATOM 1023 HD1 ARG 65 -7.611 -28.318 35.486 1.00 35.64 ATOM 1024 HD2 ARG 65 -8.928 -27.601 34.563 1.00 15.33 ATOM 1025 NE ARG 65 -9.511 -28.496 36.321 1.00 33.13 ATOM 1026 HE ARG 65 -10.409 -28.590 35.934 1.00 54.31 ATOM 1027 CZ ARG 65 -9.254 -29.051 37.500 1.00 23.51 ATOM 1028 NH1 ARG 65 -8.049 -28.937 38.041 1.00 22.43 ATOM 1029 HH11 ARG 65 -7.314 -28.443 37.586 1.00 50.44 ATOM 1030 HH12 ARG 65 -7.868 -29.358 38.932 1.00 63.53 ATOM 1031 NH2 ARG 65 -10.203 -29.722 38.140 1.00 22.35 ATOM 1032 HH21 ARG 65 -11.116 -29.812 37.736 1.00 75.23 ATOM 1033 HH22 ARG 65 -10.011 -30.142 39.030 1.00 10.13 ATOM 1034 C ARG 65 -5.284 -24.869 34.188 1.00 54.13 ATOM 1035 O ARG 65 -4.392 -24.914 35.035 1.00 51.44 ATOM 1036 N ARG 66 -5.046 -24.671 32.895 1.00 35.22 ATOM 1037 HN ARG 66 -5.791 -24.578 32.260 1.00 35.64 ATOM 1038 CA ARG 66 -3.692 -24.492 32.386 1.00 20.54 ATOM 1039 HA ARG 66 -2.981 -24.768 33.159 1.00 64.55 ATOM 1040 CB ARG 66 -3.459 -25.390 31.170 1.00 62.03 ATOM 1041 HB1 ARG 66 -2.574 -25.044 30.645 1.00 35.64 ATOM 1042 HB2 ARG 66 -4.310 -25.308 30.508 1.00 10.13 ATOM 1043 CG ARG 66 -3.272 -26.857 31.522 1.00 53.23 ATOM 1044 HG1 ARG 66 -4.242 -27.327 31.587 1.00 35.64 ATOM 1045 HG2 ARG 66 -2.767 -26.940 32.476 1.00 4.31 ATOM 1046 CD ARG 66 -2.439 -27.579 30.475 1.00 24.30 ATOM 1047 HD1 ARG 66 -1.988 -28.442 30.945 1.00 35.64 ATOM 1048 HD2 ARG 66 -1.655 -26.927 30.111 1.00 61.23 ATOM 1049 NE ARG 66 -3.248 -28.030 29.346 1.00 32.12 ATOM 1050 HE ARG 66 -4.195 -27.755 29.317 1.00 53.24 ATOM 1051 CZ ARG 66 -2.778 -28.785 28.359 1.00 2.15 ATOM 1052 NH1 ARG 66 -1.510 -29.172 28.363 1.00 44.40 ATOM 1053 HH11 ARG 66 -0.888 -28.908 29.098 1.00 24.33 ATOM 1054 HH12 ARG 66 -1.164 -29.742 27.615 1.00 32.04 ATOM 1055 NH2 ARG 66 -3.577 -29.155 27.367 1.00 42.23 ATOM 1056 HH21 ARG 66 -4.535 -28.866 27.357 1.00 74.42 ATOM 1057 HH22 ARG 66 -3.225 -29.726 26.622 1.00 41.43 ATOM 1058 C ARG 66 -3.440 -23.035 32.012 1.00 4.24 ATOM 1059 O ARG 66 -4.375 -22.283 31.737 1.00 45.23 ATOM 1060 N VAL 67 -2.170 -22.642 32.006 1.00 64.35 ATOM 1061 HN VAL 67 -1.464 -23.279 32.262 1.00 35.64 ATOM 1062 CA VAL 67 -1.794 -21.275 31.665 1.00 22.31 ATOM 1063 HA VAL 67 -2.688 -20.663 31.602 1.00 43.41 ATOM 1064 CB VAL 67 -0.879 -20.660 32.741 1.00 63.43 ATOM 1065 HB VAL 67 0.054 -21.208 32.757 1.00 1.24 ATOM 1066 CG1 VAL 67 -0.570 -19.208 32.412 1.00 5.20 ATOM 1067 HG11 VAL 67 -0.037 -18.754 33.238 1.00 1.22 ATOM 1068 HG12 VAL 67 -1.489 -18.665 32.242 1.00 43.42 ATOM 1069 HG13 VAL 67 0.039 -19.156 31.539 1.00 73.32 ATOM 1070 CG2 VAL 67 -1.518 -20.780 34.116 1.00 55.04 ATOM 1071 HG21 VAL 67 -1.665 -21.822 34.360 1.00 71.23 ATOM 1072 HG22 VAL 67 -2.472 -20.272 34.120 1.00 41.32 ATOM 1073 HG23 VAL 67 -0.871 -20.331 34.857 1.00 21.32 ATOM 1074 C VAL 67 -1.084 -21.220 30.317 1.00 24.12 ATOM 1075 O VAL 67 -1.089 -20.190 29.642 1.00 24.12 ATOM 1076 N HIS 68 -0.473 -22.336 29.930 1.00 10.40 ATOM 1077 HN HIS 68 -0.515 -23.136 30.489 1.00 35.64 ATOM 1078 CA HIS 68 0.241 -22.415 28.661 1.00 65.11 ATOM 1079 HA HIS 68 0.383 -21.423 28.281 1.00 74.11 ATOM 1080 CB HIS 68 1.619 -23.046 28.866 1.00 71.34 ATOM 1081 HB1 HIS 68 2.247 -22.344 29.395 1.00 35.64 ATOM 1082 HB2 HIS 68 2.070 -23.265 27.907 1.00 72.32 ATOM 1083 CG HIS 68 1.584 -24.314 29.662 1.00 24.12 ATOM 1084 ND1 HIS 68 1.735 -24.346 31.033 1.00 71.35 ATOM 1085 HD1 HIS 68 1.877 -23.568 31.612 1.00 42.31 ATOM 1086 CD2 HIS 68 1.414 -25.599 29.274 1.00 74.43 ATOM 1087 HD2 HIS 68 1.265 -25.948 28.262 1.00 40.33 ATOM 1088 CE1 HIS 68 1.660 -25.597 31.452 1.00 11.32 ATOM 1089 HE1 HIS 68 1.743 -25.926 32.477 1.00 2.21 ATOM 1090 NE2 HIS 68 1.465 -26.377 30.404 1.00 13.14 ATOM 1091 HE2 HIS 68 1.276 -27.338 30.442 1.00 35.64 ATOM 1092 C HIS 68 -0.554 -23.222 27.639 1.00 11.11 ATOM 1093 O HIS 68 -1.025 -24.321 27.931 1.00 30.15 ATOM 1094 N VAL 69 -0.701 -22.668 26.440 1.00 62.24 ATOM 1095 HN VAL 69 -0.291 -21.790 26.256 1.00 35.64 ATOM 1096 CA VAL 69 -1.439 -23.336 25.374 1.00 21.13 ATOM 1097 HA VAL 69 -2.213 -23.954 25.825 1.00 61.11 ATOM 1098 CB VAL 69 -2.130 -22.319 24.447 1.00 11.21 ATOM 1099 HB VAL 69 -1.376 -21.722 23.964 1.00 14.34 ATOM 1100 CG1 VAL 69 -2.920 -23.035 23.362 1.00 21.25 ATOM 1101 HG11 VAL 69 -3.597 -23.744 23.814 1.00 4.33 ATOM 1102 HG12 VAL 69 -2.248 -23.551 22.694 1.00 13.33 ATOM 1103 HG13 VAL 69 -3.491 -22.314 22.792 1.00 42.43 ATOM 1104 CG2 VAL 69 -3.031 -21.393 25.250 1.00 4.44 ATOM 1105 HG21 VAL 69 -3.796 -21.968 25.743 1.00 42.52 ATOM 1106 HG22 VAL 69 -3.495 -20.676 24.587 1.00 11.21 ATOM 1107 HG23 VAL 69 -2.447 -20.863 25.989 1.00 10.22 ATOM 1108 C VAL 69 -0.520 -24.224 24.542 1.00 13.40 ATOM 1109 O VAL 69 0.637 -23.881 24.295 1.00 55.12 ATOM 1110 N THR 70 -1.043 -25.367 24.111 1.00 61.44 ATOM 1111 HN THR 70 -1.978 -25.586 24.326 1.00 35.64 ATOM 1112 CA THR 70 -0.270 -26.305 23.306 1.00 32.41 ATOM 1113 HA THR 70 0.770 -25.994 23.288 1.00 44.15 ATOM 1114 CB THR 70 -0.321 -27.727 23.897 1.00 5.25 ATOM 1115 HB THR 70 0.313 -28.375 23.306 1.00 24.20 ATOM 1116 OG1 THR 70 -1.662 -28.226 23.859 1.00 70.31 ATOM 1117 HG1 THR 70 -2.242 -27.713 24.436 1.00 44.43 ATOM 1118 CG2 THR 70 0.188 -27.735 25.331 1.00 11.22 ATOM 1119 HG21 THR 70 1.205 -27.369 25.358 1.00 51.21 ATOM 1120 HG22 THR 70 0.161 -28.744 25.714 1.00 41.21 ATOM 1121 HG23 THR 70 -0.439 -27.103 25.943 1.00 21.12 ATOM 1122 C THR 70 -0.779 -26.347 21.870 1.00 43.53 ATOM 1123 O THR 70 -1.903 -25.934 21.588 1.00 14.44 ATOM 1124 N GLN 71 0.056 -26.848 20.965 1.00 5.33 ATOM 1125 HN GLN 71 0.948 -27.160 21.253 1.00 35.64 ATOM 1126 CA GLN 71 -0.310 -26.942 19.557 1.00 31.32 ATOM 1127 HA GLN 71 -0.393 -25.938 19.167 1.00 53.33 ATOM 1128 CB GLN 71 0.772 -27.689 18.776 1.00 44.34 ATOM 1129 HB1 GLN 71 0.990 -28.614 19.291 1.00 35.64 ATOM 1130 HB2 GLN 71 1.666 -27.088 18.747 1.00 34.42 ATOM 1131 CG GLN 71 0.372 -28.021 17.348 1.00 74.55 ATOM 1132 HG1 GLN 71 0.198 -27.097 16.824 1.00 35.64 ATOM 1133 HG2 GLN 71 -0.533 -28.608 17.353 1.00 13.34 ATOM 1134 CD GLN 71 1.432 -28.818 16.614 1.00 24.42 ATOM 1135 OE1 GLN 71 1.749 -29.947 16.992 1.00 44.31 ATOM 1136 NE2 GLN 71 1.988 -28.234 15.559 1.00 71.51 ATOM 1137 HE21 GLN 71 1.700 -27.330 15.299 1.00 24.21 ATOM 1138 HE22 GLN 71 2.673 -28.739 15.073 1.00 72.31 ATOM 1139 C GLN 71 -1.652 -27.647 19.390 1.00 31.53 ATOM 1140 O GLN 71 -2.481 -27.239 18.578 1.00 61.24 ATOM 1141 N GLU 72 -1.858 -28.708 20.165 1.00 71.12 ATOM 1142 HN GLU 72 -1.149 -28.999 20.785 1.00 35.64 ATOM 1143 CA GLU 72 -3.100 -29.470 20.101 1.00 64.23 ATOM 1144 HA GLU 72 -3.132 -29.951 19.142 1.00 22.02 ATOM 1145 CB GLU 72 -3.125 -30.538 21.196 1.00 74.40 ATOM 1146 HB1 GLU 72 -3.715 -30.185 22.035 1.00 35.64 ATOM 1147 HB2 GLU 72 -2.115 -30.716 21.542 1.00 22.13 ATOM 1148 CG GLU 72 -3.684 -31.873 20.732 1.00 53.13 ATOM 1149 HG1 GLU 72 -2.875 -32.464 20.329 1.00 35.64 ATOM 1150 HG2 GLU 72 -4.424 -31.707 19.959 1.00 33.35 ATOM 1151 CD GLU 72 -4.336 -32.655 21.855 1.00 32.03 ATOM 1152 OE1 GLU 72 -5.560 -32.894 21.781 1.00 45.12 ATOM 1153 OE2 GLU 72 -3.622 -33.029 22.809 1.00 0.54 ATOM 1154 C GLU 72 -4.310 -28.552 20.242 1.00 1.44 ATOM 1155 O GLU 72 -5.293 -28.685 19.513 1.00 21.43 ATOM 1156 N ASP 73 -4.231 -27.620 21.186 1.00 45.22 ATOM 1157 HN ASP 73 -3.422 -27.568 21.749 1.00 35.64 ATOM 1158 CA ASP 73 -5.318 -26.678 21.424 1.00 73.21 ATOM 1159 HA ASP 73 -6.212 -27.248 21.636 1.00 52.15 ATOM 1160 CB ASP 73 -4.985 -25.771 22.609 1.00 15.32 ATOM 1161 HB1 ASP 73 -5.461 -24.806 22.481 1.00 35.64 ATOM 1162 HB2 ASP 73 -3.923 -25.626 22.673 1.00 2.43 ATOM 1163 CG ASP 73 -5.462 -26.344 23.929 1.00 32.22 ATOM 1164 OD1 ASP 73 -4.810 -26.081 24.961 1.00 4.11 ATOM 1165 OD2 ASP 73 -6.488 -27.056 23.930 1.00 13.44 ATOM 1166 C ASP 73 -5.588 -25.835 20.182 1.00 55.22 ATOM 1167 O ASP 73 -6.733 -25.483 19.894 1.00 21.22 ATOM 1168 N PHE 74 -4.528 -25.512 19.449 1.00 25.54 ATOM 1169 HN PHE 74 -3.633 -25.802 19.735 1.00 35.64 ATOM 1170 CA PHE 74 -4.650 -24.708 18.239 1.00 22.30 ATOM 1171 HA PHE 74 -5.252 -23.835 18.470 1.00 53.32 ATOM 1172 CB PHE 74 -3.269 -24.257 17.759 1.00 24.23 ATOM 1173 HB1 PHE 74 -3.273 -24.152 16.685 1.00 35.64 ATOM 1174 HB2 PHE 74 -2.534 -25.001 18.019 1.00 44.43 ATOM 1175 CG PHE 74 -2.829 -22.946 18.345 1.00 14.23 ATOM 1176 CD1 PHE 74 -2.139 -22.905 19.546 1.00 15.12 ATOM 1177 HD1 PHE 74 -1.914 -23.827 20.065 1.00 44.12 ATOM 1178 CD2 PHE 74 -3.107 -21.754 17.695 1.00 1.05 ATOM 1179 HD2 PHE 74 -3.644 -21.769 16.756 1.00 65.41 ATOM 1180 CE1 PHE 74 -1.733 -21.700 20.088 1.00 15.11 ATOM 1181 HE1 PHE 74 -1.196 -21.682 21.025 1.00 10.52 ATOM 1182 CE2 PHE 74 -2.703 -20.546 18.232 1.00 31.12 ATOM 1183 HE2 PHE 74 -2.926 -19.624 17.716 1.00 21.04 ATOM 1184 CZ PHE 74 -2.017 -20.519 19.431 1.00 43.14 ATOM 1185 HZ PHE 74 -1.701 -19.576 19.852 1.00 62.53 ATOM 1186 C PHE 74 -5.353 -25.491 17.135 1.00 74.55 ATOM 1187 O PHE 74 -6.363 -25.045 16.590 1.00 24.20 ATOM 1188 N GLU 75 -4.812 -26.661 16.810 1.00 61.35 ATOM 1189 HN GLU 75 -3.991 -26.944 17.272 1.00 35.64 ATOM 1190 CA GLU 75 -5.387 -27.506 15.769 1.00 0.22 ATOM 1191 HA GLU 75 -5.442 -26.927 14.856 1.00 64.51 ATOM 1192 CB GLU 75 -4.498 -28.727 15.523 1.00 12.22 ATOM 1193 HB1 GLU 75 -3.573 -28.397 15.079 1.00 35.64 ATOM 1194 HB2 GLU 75 -4.997 -29.392 14.826 1.00 22.53 ATOM 1195 CG GLU 75 -4.164 -29.501 16.787 1.00 3.33 ATOM 1196 HG1 GLU 75 -5.049 -29.626 17.380 1.00 35.64 ATOM 1197 HG2 GLU 75 -3.431 -28.956 17.341 1.00 25.32 ATOM 1198 CD GLU 75 -3.608 -30.881 16.496 1.00 33.32 ATOM 1199 OE1 GLU 75 -4.412 -31.798 16.224 1.00 22.03 ATOM 1200 OE2 GLU 75 -2.371 -31.045 16.541 1.00 73.44 ATOM 1201 C GLU 75 -6.794 -27.956 16.150 1.00 54.00 ATOM 1202 O GLU 75 -7.654 -28.136 15.288 1.00 31.41 ATOM 1203 N MET 76 -7.021 -28.136 17.447 1.00 11.11 ATOM 1204 HN MET 76 -6.293 -27.991 18.094 1.00 35.64 ATOM 1205 CA MET 76 -8.324 -28.564 17.943 1.00 60.44 ATOM 1206 HA MET 76 -8.547 -29.518 17.488 1.00 12.33 ATOM 1207 CB MET 76 -8.294 -28.702 19.466 1.00 60.20 ATOM 1208 HB1 MET 76 -9.247 -28.404 19.880 1.00 35.64 ATOM 1209 HB2 MET 76 -7.541 -28.041 19.867 1.00 50.12 ATOM 1210 CG MET 76 -7.986 -30.112 19.943 1.00 60.44 ATOM 1211 HG1 MET 76 -7.849 -30.091 21.014 1.00 35.64 ATOM 1212 HG2 MET 76 -7.073 -30.451 19.473 1.00 73.44 ATOM 1213 SD MET 76 -9.304 -31.280 19.555 1.00 71.01 ATOM 1214 CE MET 76 -10.677 -30.547 20.440 1.00 14.54 ATOM 1215 HE1 MET 76 -11.477 -31.268 20.523 1.00 21.45 ATOM 1216 HE2 MET 76 -11.030 -29.680 19.903 1.00 20.30 ATOM 1217 HE3 MET 76 -10.354 -30.253 21.427 1.00 51.44 ATOM 1218 C MET 76 -9.413 -27.579 17.531 1.00 51.01 ATOM 1219 O MET 76 -10.431 -27.968 16.959 1.00 41.11 ATOM 1220 N ALA 77 -9.192 -26.302 17.826 1.00 70.20 ATOM 1221 HN ALA 77 -8.355 -26.052 18.287 1.00 35.64 ATOM 1222 CA ALA 77 -10.154 -25.262 17.485 1.00 50.43 ATOM 1223 HA ALA 77 -11.083 -25.481 17.994 1.00 31.33 ATOM 1224 CB ALA 77 -9.661 -23.907 17.972 1.00 34.12 ATOM 1225 HB1 ALA 77 -8.683 -23.719 17.573 1.00 34.12 ATOM 1226 HB2 ALA 77 -9.611 -23.903 19.043 1.00 24.14 ATOM 1227 HB3 ALA 77 -10.339 -23.139 17.641 1.00 63.32 ATOM 1228 C ALA 77 -10.412 -25.224 15.982 1.00 3.42 ATOM 1229 O ALA 77 -11.542 -25.016 15.541 1.00 32.01 ATOM 1230 N VAL 78 -9.356 -25.425 15.200 1.00 1.51 ATOM 1231 HN VAL 78 -8.480 -25.602 15.611 1.00 35.64 ATOM 1232 CA VAL 78 -9.468 -25.414 13.746 1.00 11.44 ATOM 1233 HA VAL 78 -9.824 -24.436 13.443 1.00 63.20 ATOM 1234 CB VAL 78 -8.104 -25.663 13.076 1.00 30.52 ATOM 1235 HB VAL 78 -7.738 -26.629 13.387 1.00 65.12 ATOM 1236 CG1 VAL 78 -8.248 -25.680 11.562 1.00 21.01 ATOM 1237 HG11 VAL 78 -8.416 -26.699 11.247 1.00 1.10 ATOM 1238 HG12 VAL 78 -7.352 -25.311 11.090 1.00 74.35 ATOM 1239 HG13 VAL 78 -9.091 -25.083 11.261 1.00 22.01 ATOM 1240 CG2 VAL 78 -7.096 -24.611 13.513 1.00 63.42 ATOM 1241 HG21 VAL 78 -7.382 -23.650 13.114 1.00 54.11 ATOM 1242 HG22 VAL 78 -6.119 -24.874 13.136 1.00 53.40 ATOM 1243 HG23 VAL 78 -7.053 -24.550 14.578 1.00 65.12 ATOM 1244 C VAL 78 -10.460 -26.466 13.264 1.00 64.32 ATOM 1245 O VAL 78 -11.186 -26.251 12.294 1.00 14.14 ATOM 1246 N ALA 79 -10.484 -27.606 13.947 1.00 1.34 ATOM 1247 HN ALA 79 -9.873 -27.731 14.711 1.00 35.64 ATOM 1248 CA ALA 79 -11.388 -28.692 13.590 1.00 11.33 ATOM 1249 HA ALA 79 -11.341 -28.840 12.517 1.00 54.21 ATOM 1250 CB ALA 79 -10.947 -29.986 14.257 1.00 71.53 ATOM 1251 HB1 ALA 79 -9.929 -30.205 13.972 1.00 52.33 ATOM 1252 HB2 ALA 79 -11.589 -30.796 13.941 1.00 32.53 ATOM 1253 HB3 ALA 79 -11.003 -29.880 15.331 1.00 44.32 ATOM 1254 C ALA 79 -12.825 -28.359 13.976 1.00 14.22 ATOM 1255 O ALA 79 -13.767 -28.709 13.265 1.00 34.10 ATOM 1256 N LYS 80 -12.987 -27.681 15.107 1.00 14.33 ATOM 1257 HN LYS 80 -12.198 -27.430 15.643 1.00 35.64 ATOM 1258 CA LYS 80 -14.310 -27.299 15.589 1.00 62.34 ATOM 1259 HA LYS 80 -14.980 -28.140 15.457 1.00 35.30 ATOM 1260 CB LYS 80 -14.253 -26.952 17.078 1.00 64.40 ATOM 1261 HB1 LYS 80 -13.459 -26.236 17.238 1.00 35.64 ATOM 1262 HB2 LYS 80 -14.021 -27.858 17.620 1.00 34.43 ATOM 1263 CG LYS 80 -15.545 -26.361 17.615 1.00 63.51 ATOM 1264 HG1 LYS 80 -16.374 -26.646 16.980 1.00 35.64 ATOM 1265 HG2 LYS 80 -15.461 -25.285 17.631 1.00 71.34 ATOM 1266 CD LYS 80 -15.842 -26.856 19.021 1.00 52.14 ATOM 1267 HD1 LYS 80 -15.910 -27.936 19.012 1.00 35.64 ATOM 1268 HD2 LYS 80 -16.788 -26.442 19.339 1.00 52.24 ATOM 1269 CE LYS 80 -14.766 -26.421 20.004 1.00 53.12 ATOM 1270 HE1 LYS 80 -15.238 -26.193 20.948 1.00 35.64 ATOM 1271 HE2 LYS 80 -14.282 -25.536 19.630 1.00 4.21 ATOM 1272 NZ LYS 80 -13.751 -27.488 20.223 1.00 41.00 ATOM 1273 HZ1 LYS 80 -13.256 -27.319 21.122 1.00 53.13 ATOM 1274 HZ2 LYS 80 -13.048 -27.481 19.461 1.00 23.51 ATOM 1275 HZ3 LYS 80 -14.197 -28.430 20.265 1.00 11.44 ATOM 1276 C LYS 80 -14.855 -26.113 14.800 1.00 45.30 ATOM 1277 O LYS 80 -16.067 -25.928 14.695 1.00 72.53 ATOM 1278 N VAL 81 -13.950 -25.311 14.246 1.00 15.21 ATOM 1279 HN VAL 81 -12.990 -25.494 14.362 1.00 35.64 ATOM 1280 CA VAL 81 -14.341 -24.143 13.465 1.00 63.44 ATOM 1281 HA VAL 81 -15.276 -23.755 13.859 1.00 12.51 ATOM 1282 CB VAL 81 -13.285 -23.026 13.560 1.00 13.44 ATOM 1283 HB VAL 81 -12.346 -23.406 13.180 1.00 41.33 ATOM 1284 CG1 VAL 81 -13.693 -21.832 12.711 1.00 14.51 ATOM 1285 HG11 VAL 81 -14.703 -21.533 12.957 1.00 72.53 ATOM 1286 HG12 VAL 81 -13.637 -22.087 11.664 1.00 61.23 ATOM 1287 HG13 VAL 81 -13.023 -21.004 12.902 1.00 53.42 ATOM 1288 CG2 VAL 81 -13.077 -22.613 15.010 1.00 62.13 ATOM 1289 HG21 VAL 81 -13.855 -21.920 15.309 1.00 41.10 ATOM 1290 HG22 VAL 81 -12.118 -22.129 15.107 1.00 50.15 ATOM 1291 HG23 VAL 81 -13.107 -23.467 15.664 1.00 30.23 ATOM 1292 C VAL 81 -14.548 -24.507 11.999 1.00 62.52 ATOM 1293 O VAL 81 -15.508 -24.065 11.369 1.00 45.35 ATOM 1294 N MET 82 -13.641 -25.318 11.462 1.00 12.32 ATOM 1295 HN MET 82 -12.892 -25.644 12.014 1.00 35.64 ATOM 1296 CA MET 82 -13.726 -25.743 10.070 1.00 63.11 ATOM 1297 HA MET 82 -14.039 -24.899 9.472 1.00 42.33 ATOM 1298 CB MET 82 -12.361 -26.231 9.580 1.00 50.24 ATOM 1299 HB1 MET 82 -12.465 -26.632 8.579 1.00 35.64 ATOM 1300 HB2 MET 82 -12.017 -27.019 10.229 1.00 72.20 ATOM 1301 CG MET 82 -11.303 -25.140 9.542 1.00 13.31 ATOM 1302 HG1 MET 82 -10.355 -25.586 9.280 1.00 35.64 ATOM 1303 HG2 MET 82 -11.228 -24.686 10.517 1.00 10.54 ATOM 1304 SD MET 82 -11.682 -23.846 8.345 1.00 51.12 ATOM 1305 CE MET 82 -11.240 -24.662 6.813 1.00 5.01 ATOM 1306 HE1 MET 82 -10.280 -24.318 6.502 1.00 0.21 ATOM 1307 HE2 MET 82 -11.969 -24.417 6.055 1.00 33.01 ATOM 1308 HE3 MET 82 -11.219 -25.730 6.954 1.00 3.51 ATOM 1309 C MET 82 -14.764 -26.848 9.901 1.00 11.40 ATOM 1310 O MET 82 -15.397 -26.960 8.852 1.00 72.43 ATOM 1311 N GLN 83 -14.933 -27.659 10.940 1.00 22.00 ATOM 1312 HN GLN 83 -14.394 -27.546 11.753 1.00 35.64 ATOM 1313 CA GLN 83 -15.894 -28.755 10.905 1.00 51.14 ATOM 1314 HA GLN 83 -15.885 -29.235 11.872 1.00 10.24 ATOM 1315 CB GLN 83 -17.300 -28.219 10.629 1.00 71.23 ATOM 1316 HB1 GLN 83 -18.012 -28.999 10.861 1.00 35.64 ATOM 1317 HB2 GLN 83 -17.397 -27.962 9.583 1.00 52.22 ATOM 1318 CG GLN 83 -17.657 -26.993 11.454 1.00 62.23 ATOM 1319 HG1 GLN 83 -16.978 -26.192 11.212 1.00 35.64 ATOM 1320 HG2 GLN 83 -17.554 -27.241 12.501 1.00 32.45 ATOM 1321 CD GLN 83 -19.078 -26.523 11.215 1.00 1.41 ATOM 1322 OE1 GLN 83 -20.032 -27.281 11.387 1.00 75.35 ATOM 1323 NE2 GLN 83 -19.226 -25.264 10.817 1.00 32.34 ATOM 1324 HE21 GLN 83 -18.429 -24.700 10.696 1.00 71.34 ATOM 1325 HE22 GLN 83 -20.138 -24.942 10.657 1.00 35.10 ATOM 1326 C GLN 83 -15.511 -29.781 9.844 1.00 62.14 ATOM 1327 O GLN 83 -16.347 -30.210 9.049 1.00 73.35 ATOM 1328 N LYS 84 -14.241 -30.171 9.836 1.00 24.02 ATOM 1329 HN LYS 84 -13.609 -29.791 10.491 1.00 35.64 ATOM 1330 CA LYS 84 -13.745 -31.148 8.874 1.00 51.23 ATOM 1331 HA LYS 84 -14.584 -31.696 8.458 1.00 73.02 ATOM 1332 CB LYS 84 -12.991 -30.444 7.744 1.00 50.55 ATOM 1333 HB1 LYS 84 -12.243 -31.115 7.336 1.00 35.64 ATOM 1334 HB2 LYS 84 -12.479 -29.578 8.141 1.00 51.54 ATOM 1335 CG LYS 84 -13.881 -30.028 6.585 1.00 60.42 ATOM 1336 HG1 LYS 84 -14.763 -30.655 6.553 1.00 35.64 ATOM 1337 HG2 LYS 84 -13.321 -30.163 5.669 1.00 54.11 ATOM 1338 CD LYS 84 -14.313 -28.577 6.706 1.00 43.54 ATOM 1339 HD1 LYS 84 -13.620 -28.020 7.324 1.00 35.64 ATOM 1340 HD2 LYS 84 -15.291 -28.560 7.157 1.00 64.13 ATOM 1341 CE LYS 84 -14.409 -27.908 5.343 1.00 61.44 ATOM 1342 HE1 LYS 84 -15.226 -27.202 5.368 1.00 35.64 ATOM 1343 HE2 LYS 84 -14.607 -28.649 4.578 1.00 1.25 ATOM 1344 NZ LYS 84 -13.161 -27.175 4.995 1.00 4.52 ATOM 1345 HZ1 LYS 84 -13.337 -26.537 4.192 1.00 4.35 ATOM 1346 HZ2 LYS 84 -12.428 -27.854 4.722 1.00 11.24 ATOM 1347 HZ3 LYS 84 -12.825 -26.615 5.801 1.00 10.24 ATOM 1348 C LYS 84 -12.833 -32.165 9.551 1.00 5.15 ATOM 1349 O LYS 84 -11.634 -32.219 9.275 1.00 51.12 ATOM 1350 N ASP 85 -13.407 -32.970 10.438 1.00 12.34 ATOM 1351 HN ASP 85 -14.368 -32.872 10.630 1.00 35.64 ATOM 1352 CA ASP 85 -12.646 -33.987 11.154 1.00 63.13 ATOM 1353 HA ASP 85 -11.588 -33.830 10.983 1.00 55.55 ATOM 1354 CB ASP 85 -12.906 -33.886 12.657 1.00 21.25 ATOM 1355 HB1 ASP 85 -13.971 -33.930 12.835 1.00 35.64 ATOM 1356 HB2 ASP 85 -12.525 -32.942 13.018 1.00 42.14 ATOM 1357 CG ASP 85 -12.238 -35.002 13.437 1.00 42.22 ATOM 1358 OD1 ASP 85 -10.998 -35.124 13.353 1.00 50.33 ATOM 1359 OD2 ASP 85 -12.955 -35.754 14.130 1.00 2.43 ATOM 1360 C ASP 85 -13.003 -35.384 10.656 1.00 54.14 ATOM 1361 O ASP 85 -12.156 -36.276 10.616 1.00 2.34 ATOM 1362 N SER 86 -14.264 -35.567 10.277 1.00 53.20 ATOM 1363 HN SER 86 -14.916 -34.839 10.351 1.00 35.64 ATOM 1364 HA SER 86 -13.893 -37.526 9.669 1.00 73.20 ATOM 1365 CB SER 86 -15.711 -37.481 10.786 1.00 51.14 ATOM 1366 HB1 SER 86 -16.273 -36.702 11.284 1.00 35.64 ATOM 1367 HB2 SER 86 -15.157 -38.047 11.520 1.00 65.12 ATOM 1368 OG SER 86 -16.623 -38.348 10.134 1.00 31.23 ATOM 1369 HG SER 86 -16.203 -39.197 9.973 1.00 52.24 ATOM 1370 CA SER 86 -14.736 -36.856 9.786 1.00 23.40 ATOM 1371 C SER 86 -15.410 -36.706 8.426 1.00 73.31 ATOM 1372 OT1 SER 86 -16.358 -35.897 8.318 1.00 35.64 ATOM 1373 OT2 SER 86 -14.986 -37.398 7.475 1.00 35.64 ATOM 1374 OH2 TIP3 1 -18.579 -39.573 1.539 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -18.490 -38.629 1.407 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -19.218 -39.848 0.881 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.646 -40.318 4.958 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -19.684 -40.964 5.663 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -19.969 -40.784 4.187 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -15.940 -37.379 3.260 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -16.381 -38.099 3.710 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -15.953 -36.658 3.890 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -18.829 -32.274 3.472 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -18.209 -32.951 3.199 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -19.037 -32.492 4.380 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -21.257 -37.885 5.364 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -20.953 -38.571 4.770 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -20.535 -37.767 5.982 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -18.116 -43.491 5.692 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -17.973 -44.438 5.712 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -18.222 -43.284 4.763 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -12.202 -44.806 8.461 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -12.891 -44.148 8.366 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -12.187 -45.003 9.398 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -18.782 -36.972 0.582 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -19.078 -37.294 -0.269 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -19.106 -36.072 0.624 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -23.582 -38.796 7.326 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -24.322 -38.198 7.429 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -22.868 -38.242 7.010 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -17.176 -33.758 2.233 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.751 -34.465 1.748 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.859 -32.957 1.816 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -16.017 -35.857 0.742 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -16.274 -36.547 0.130 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -15.946 -36.300 1.587 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -12.489 -40.951 7.285 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -13.141 -40.256 7.374 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -12.024 -40.741 6.475 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -23.560 -36.321 10.176 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -23.872 -35.539 10.632 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -24.210 -36.474 9.490 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -20.797 -35.036 9.672 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -20.710 -34.210 10.147 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -21.661 -35.366 9.921 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -14.624 -43.117 11.276 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -15.031 -42.636 10.556 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -14.583 -44.022 10.969 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -16.867 -44.785 9.497 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -17.381 -44.911 10.294 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -17.022 -43.873 9.252 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -20.130 -42.485 11.581 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -20.693 -43.189 11.901 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -19.304 -42.605 12.048 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -18.964 -41.576 7.578 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -18.640 -42.207 6.935 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.404 -42.111 8.239 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -22.546 -40.987 11.645 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -22.842 -41.153 10.750 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -21.615 -41.207 11.635 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -22.254 -33.635 7.413 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -21.891 -32.780 7.180 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -21.722 -33.927 8.154 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -20.674 -43.644 8.997 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -20.555 -43.070 9.754 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -20.019 -44.332 9.112 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -14.470 -45.737 9.832 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -15.386 -45.474 9.744 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -14.134 -45.740 8.935 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.868 -41.986 3.928 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.665 -42.401 3.599 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.423 -42.677 4.419 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -24.470 -33.140 13.398 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -23.702 -33.599 13.739 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -24.491 -33.366 12.468 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -22.505 -38.279 12.165 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -22.833 -38.008 11.307 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -22.353 -39.220 12.077 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -19.361 -39.569 12.804 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -18.408 -39.485 12.776 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -19.521 -40.280 13.423 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -22.047 -40.876 8.341 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -21.296 -41.032 7.768 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -22.386 -40.024 8.065 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.631 -43.061 13.369 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.439 -43.992 13.258 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -16.774 -42.636 13.359 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -18.843 -45.410 11.172 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.791 -45.378 11.304 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.531 -46.035 11.826 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -12.356 -40.413 0.677 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -13.082 -40.892 1.075 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -11.775 -40.207 1.409 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -14.569 -41.892 1.240 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -14.719 -42.837 1.220 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -14.923 -41.611 2.084 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -12.216 -42.019 11.563 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -13.079 -42.398 11.398 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -11.612 -42.758 11.489 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -14.247 -43.728 5.138 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -13.314 -43.516 5.104 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -14.482 -43.626 6.061 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -14.218 -42.991 7.914 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -15.061 -42.723 8.280 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -13.775 -42.169 7.703 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -15.327 -31.990 1.351 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -14.674 -32.337 0.743 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.816 -31.501 1.997 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -20.677 -32.687 11.112 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -20.492 -33.021 11.990 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -19.830 -32.378 10.790 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -25.119 -31.230 7.230 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -25.984 -31.158 7.634 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -25.174 -30.683 6.446 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.408 -31.342 6.406 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -20.865 -30.813 5.752 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -20.245 -30.739 7.131 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -13.347 -32.210 -0.641 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -13.541 -32.958 -1.206 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -13.386 -31.452 -1.225 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -18.829 -32.274 22.328 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -18.209 -32.951 22.055 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.037 -32.492 23.236 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -18.782 -36.972 19.438 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -19.078 -37.294 18.587 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -19.106 -36.072 19.480 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -15.428 -35.539 24.464 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -16.370 -35.481 24.625 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -15.152 -34.633 24.327 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -17.176 -33.758 21.089 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -16.751 -34.465 20.604 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -16.859 -32.957 20.672 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -16.017 -35.857 19.598 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -16.274 -36.547 18.986 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -15.946 -36.300 20.443 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -19.804 -41.871 14.886 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -19.103 -41.849 15.537 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -19.502 -42.499 14.230 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -16.452 -40.119 18.799 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -17.184 -39.891 19.372 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -16.005 -40.833 19.254 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.581 -40.957 16.484 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -17.002 -40.807 17.231 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -17.167 -40.486 15.761 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -11.776 -34.610 29.652 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -11.825 -35.565 29.615 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -12.602 -34.342 30.054 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -20.383 -31.264 18.334 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -20.458 -31.385 17.388 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -20.350 -30.314 18.453 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -17.281 -32.110 15.337 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -16.906 -32.854 14.866 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -17.277 -32.380 16.255 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -17.612 -32.184 18.086 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -18.547 -32.084 18.265 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -17.332 -32.893 18.664 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -16.104 -39.924 14.114 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -16.062 -40.147 13.184 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -15.255 -39.526 14.304 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -14.494 -30.742 30.759 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -14.294 -30.318 29.924 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -13.838 -30.399 31.366 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -19.570 -36.801 16.229 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -19.865 -35.975 16.611 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -20.273 -37.421 16.425 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -16.051 -32.984 28.439 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -16.653 -33.539 27.944 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.770 -32.317 27.813 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -15.641 -37.934 17.270 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -15.918 -38.662 17.826 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -14.714 -37.815 17.476 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -22.416 -35.495 13.491 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -22.177 -36.243 12.943 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -22.685 -35.883 14.323 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -14.781 -32.730 24.406 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -14.937 -32.052 23.749 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -13.849 -32.658 24.609 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -20.378 -33.632 13.629 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -21.022 -34.263 13.951 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -19.616 -34.163 13.397 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -19.467 -36.858 13.456 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -19.735 -36.678 14.357 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -19.673 -37.784 13.325 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -22.701 -30.999 15.290 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -21.768 -30.841 15.434 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -22.965 -30.324 14.665 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -12.065 -32.080 24.635 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -12.087 -31.895 25.574 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -11.375 -31.511 24.294 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -12.502 -32.513 27.557 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -12.989 -33.248 27.186 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -11.953 -32.906 28.235 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -12.750 -38.466 17.709 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -11.900 -38.045 17.837 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -12.745 -39.206 18.317 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -12.356 -40.413 19.533 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -13.082 -40.892 19.931 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -11.775 -40.207 20.265 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -14.110 -34.750 26.788 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.758 -34.425 27.413 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -14.628 -35.190 26.113 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -12.088 -40.512 15.924 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -12.609 -40.155 15.205 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -12.121 -39.837 16.602 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -13.739 -43.272 14.475 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -13.642 -42.605 13.795 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -13.879 -44.088 13.993 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -15.327 -31.990 20.207 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -14.674 -32.337 19.599 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -14.816 -31.501 20.853 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -18.332 -31.402 29.212 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -17.655 -32.034 28.972 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -18.010 -31.000 30.020 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -20.408 -31.342 25.262 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -20.865 -30.813 24.608 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -20.245 -30.739 25.987 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -18.081 -32.464 26.207 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -18.985 -32.299 25.941 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -17.652 -31.611 26.141 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -15.476 -30.894 26.502 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -15.658 -29.978 26.291 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.300 -31.304 25.655 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -20.056 -31.773 15.535 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -19.190 -31.407 15.357 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -20.303 -32.213 14.722 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -14.129 -33.459 30.365 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -14.911 -33.645 29.845 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -14.201 -32.530 30.582 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -12.693 -34.841 33.530 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -12.620 -33.902 33.700 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -11.788 -35.146 33.473 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -17.612 -32.184 36.942 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -18.547 -32.084 37.121 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -17.332 -32.893 37.520 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.899 -34.583 36.079 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -14.272 -35.409 36.389 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.622 -34.766 35.182 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -12.003 -32.127 34.101 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -11.260 -31.541 33.961 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -12.698 -31.559 34.434 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -14.781 -32.730 43.262 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.937 -32.052 42.605 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -13.849 -32.658 43.465 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -12.065 -32.080 43.491 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -12.087 -31.895 44.430 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -11.375 -31.511 43.150 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -15.327 -31.990 39.063 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -14.674 -32.337 38.455 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -14.816 -31.501 39.709 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -13.347 -32.210 37.071 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -13.541 -32.958 36.506 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -13.386 -31.452 36.487 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -11.776 -15.754 -8.060 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -11.825 -16.709 -8.097 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -12.602 -15.486 -7.658 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.494 -11.886 -6.953 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -14.294 -11.462 -7.788 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -13.838 -11.543 -6.346 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -12.231 -18.713 -8.117 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -13.083 -18.475 -8.484 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -11.641 -18.730 -8.870 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -14.051 -17.867 -5.517 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -14.917 -17.972 -5.123 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -13.675 -17.108 -5.070 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -14.129 -14.603 -7.347 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -14.911 -14.789 -7.867 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -14.201 -13.674 -7.130 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -18.579 -20.717 1.539 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -18.490 -19.773 1.407 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -19.218 -20.992 0.881 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -19.646 -21.462 4.958 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -19.684 -22.108 5.663 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -19.969 -21.928 4.187 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.940 -18.523 3.260 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -16.381 -19.243 3.710 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -15.953 -17.802 3.890 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -18.829 -13.418 3.472 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -18.209 -14.095 3.199 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -19.037 -13.636 4.380 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -21.257 -19.029 5.364 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -20.953 -19.715 4.770 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -20.535 -18.911 5.982 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -18.116 -24.635 5.692 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -17.973 -25.582 5.712 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -18.222 -24.428 4.763 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -17.239 -26.403 1.365 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.593 -26.732 1.990 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -16.729 -25.885 0.742 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -26.151 -27.616 7.038 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -26.370 -27.086 6.272 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -26.819 -27.389 7.686 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -23.582 -19.940 7.326 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -24.322 -19.342 7.429 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -22.868 -19.386 7.010 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -22.125 -30.310 4.491 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -22.242 -31.259 4.437 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -22.980 -29.978 4.764 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -17.176 -14.902 2.233 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -16.751 -15.609 1.748 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -16.859 -14.101 1.816 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -16.017 -17.001 0.742 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -16.274 -17.691 0.130 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -15.946 -17.444 1.587 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.452 -21.263 -0.057 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -17.184 -21.035 0.516 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -16.005 -21.977 0.398 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.131 -16.361 6.193 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.372 -15.699 6.841 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.329 -17.195 6.618 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -20.797 -16.180 9.672 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -20.710 -15.354 10.147 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -21.661 -16.510 9.921 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.281 -13.254 -3.519 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -16.906 -13.998 -3.990 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -17.277 -13.524 -2.601 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -17.612 -13.328 -0.770 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -18.547 -13.228 -0.591 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -17.332 -14.037 -0.192 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -24.765 -24.441 6.364 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -25.407 -24.482 7.073 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -24.728 -23.515 6.126 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -18.228 -24.358 2.907 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -18.423 -23.753 2.192 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -18.046 -25.192 2.472 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -18.964 -22.720 7.578 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -18.640 -23.351 6.935 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -19.404 -23.255 8.239 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -20.866 -24.005 4.249 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -20.302 -24.552 3.702 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -21.014 -24.527 5.038 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -22.240 -25.617 6.663 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -23.075 -25.163 6.773 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -21.716 -25.341 7.415 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -20.176 -19.220 9.585 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -20.522 -19.601 10.391 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -20.376 -18.286 9.656 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -22.546 -22.131 11.645 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -22.842 -22.297 10.750 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -21.615 -22.351 11.635 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -12.195 -24.513 -2.098 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -12.749 -24.909 -2.770 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -12.094 -23.603 -2.375 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -16.739 -20.919 5.389 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -17.667 -21.151 5.362 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -16.288 -21.696 5.059 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -18.710 -18.680 7.114 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -19.136 -18.907 7.940 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -18.129 -19.418 6.931 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -16.507 -17.751 -3.812 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -16.154 -18.131 -3.008 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -17.456 -17.844 -3.726 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -15.641 -19.078 -1.586 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -15.918 -19.806 -1.030 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -14.714 -18.959 -1.380 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -18.410 -27.502 -1.023 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -18.190 -27.030 -1.826 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -17.852 -27.107 -0.352 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -20.326 -28.693 0.750 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -20.673 -28.075 1.395 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -19.668 -28.192 0.269 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.893 -15.904 12.127 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -18.244 -16.760 12.370 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -17.167 -15.761 12.734 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -15.774 -14.959 -4.993 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -15.491 -15.753 -4.540 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -15.034 -14.726 -5.554 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -22.505 -19.423 12.165 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -22.833 -19.152 11.307 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -22.353 -20.364 12.077 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -24.381 -23.184 9.526 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -24.999 -22.509 9.807 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -24.037 -22.863 8.693 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -19.361 -20.713 12.804 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -18.408 -20.629 12.776 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -19.521 -21.424 13.423 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.209 -20.479 -5.122 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.482 -20.904 -5.935 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -13.169 -19.548 -5.339 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -24.041 -25.829 10.609 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -23.891 -26.558 10.006 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -24.039 -25.052 10.050 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -23.629 -27.459 8.101 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -23.093 -27.008 7.449 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -24.481 -27.567 7.679 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -22.047 -22.020 8.341 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -21.296 -22.176 7.768 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -22.386 -21.168 8.065 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -25.563 -24.631 12.520 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -26.330 -25.163 12.310 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -24.884 -24.941 11.921 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -22.823 -30.003 8.533 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -22.921 -29.056 8.427 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -23.566 -30.375 8.057 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -27.382 -26.710 12.225 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -27.171 -27.417 11.614 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -27.494 -27.148 13.069 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -22.601 -30.709 11.204 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -21.889 -31.349 11.190 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -22.702 -30.442 10.290 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -12.750 -19.610 -1.147 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -11.900 -19.189 -1.019 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -12.745 -20.350 -0.539 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -12.088 -21.656 -2.932 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -12.609 -21.299 -3.651 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -12.121 -20.981 -2.254 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -14.569 -23.036 1.240 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.719 -23.981 1.220 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.923 -22.755 2.084 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -14.859 -25.453 -0.298 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -14.579 -26.360 -0.173 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -14.100 -25.019 -0.687 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -14.245 -28.190 -0.249 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -14.063 -28.639 0.576 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -14.845 -28.775 -0.713 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -15.327 -13.134 1.351 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -14.674 -13.481 0.743 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -14.816 -12.645 1.997 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -20.677 -13.831 11.112 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -20.492 -14.165 11.990 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -19.830 -13.522 10.790 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -18.332 -12.546 10.356 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -17.655 -13.178 10.116 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -18.010 -12.144 11.164 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -20.408 -12.486 6.406 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -20.865 -11.957 5.752 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.245 -11.883 7.131 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.081 -13.608 7.351 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -18.985 -13.443 7.085 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -17.652 -12.755 7.285 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -19.984 -28.507 3.759 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -20.659 -29.136 4.014 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -19.420 -28.991 3.156 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -17.521 -29.916 3.043 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -17.445 -29.821 2.094 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -17.797 -30.824 3.172 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -16.168 -29.890 -1.264 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -16.871 -29.276 -1.474 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -16.613 -30.728 -1.133 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -27.700 -29.359 11.098 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -28.066 -30.124 11.541 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -26.787 -29.330 11.385 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -25.727 -30.008 12.634 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -24.828 -30.282 12.449 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -26.113 -30.751 13.098 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -19.646 -21.462 23.814 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -19.684 -22.108 24.519 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -19.969 -21.928 23.043 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.829 -13.418 22.328 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.209 -14.095 22.055 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -19.037 -13.636 23.236 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -21.257 -19.029 24.220 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -20.953 -19.715 23.626 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -20.535 -18.911 24.838 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -18.782 -18.116 19.438 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -19.078 -18.438 18.587 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -19.106 -17.216 19.480 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -17.176 -14.902 21.089 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -16.751 -15.609 20.604 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -16.859 -14.101 20.672 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -16.017 -17.001 19.598 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.274 -17.691 18.986 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -15.946 -17.444 20.443 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -19.858 -21.473 17.847 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -20.570 -20.938 17.496 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.167 -21.417 17.187 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -19.804 -23.015 14.886 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -19.103 -22.993 15.537 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -19.502 -23.643 14.230 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -18.131 -16.361 25.049 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -18.372 -15.699 25.697 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -18.329 -17.195 25.474 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -17.581 -22.101 16.484 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -17.002 -21.951 17.231 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -17.167 -21.630 15.761 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.855 -15.364 19.919 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.381 -15.069 20.697 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.418 -14.626 19.686 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -17.281 -13.254 15.337 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -16.906 -13.998 14.866 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.277 -13.524 16.255 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -17.612 -13.328 18.086 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -18.547 -13.228 18.265 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -17.332 -14.037 18.664 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.193 -29.685 27.499 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -19.773 -30.100 28.252 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -21.126 -29.863 27.616 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -19.232 -23.804 18.949 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -19.641 -22.989 18.657 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.512 -23.944 18.334 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -20.130 -23.629 30.437 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -20.693 -24.333 30.757 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -19.304 -23.749 30.904 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -18.228 -24.358 21.763 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -18.423 -23.753 21.048 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -18.046 -25.192 21.328 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -23.649 -26.747 13.885 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -24.080 -27.192 14.615 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -24.367 -26.375 13.373 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -18.964 -22.720 26.434 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -18.640 -23.351 25.791 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -19.404 -23.255 27.095 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -22.186 -26.793 21.218 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -23.097 -26.736 21.507 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -21.681 -26.853 22.029 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -23.705 -25.164 17.701 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -22.773 -25.035 17.879 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -23.920 -24.494 17.052 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -25.031 -23.969 15.268 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -25.573 -24.349 14.577 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -24.197 -23.775 14.839 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -20.866 -24.005 23.105 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -20.302 -24.552 22.558 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -21.014 -24.527 23.894 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -22.240 -25.617 25.519 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -23.075 -25.163 25.629 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -21.716 -25.341 26.271 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -20.176 -19.220 28.441 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -20.522 -19.601 29.247 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -20.376 -18.286 28.512 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -19.570 -17.945 16.229 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.865 -17.119 16.611 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -20.273 -18.565 16.425 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -17.926 -16.758 28.391 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -18.827 -16.575 28.123 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -17.892 -16.499 29.312 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -18.710 -18.680 25.970 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -19.136 -18.907 26.796 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -18.129 -19.418 25.787 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -16.507 -17.751 15.044 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -16.154 -18.131 15.848 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -17.456 -17.844 15.130 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -16.051 -14.128 28.439 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -16.653 -14.683 27.944 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -15.770 -13.461 27.813 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -15.641 -19.078 17.270 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -15.918 -19.806 17.826 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -14.714 -18.959 17.476 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -19.194 -27.154 26.736 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.496 -27.080 27.386 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -19.575 -28.018 26.891 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -21.210 -25.774 18.668 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -20.398 -25.270 18.714 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -21.455 -25.919 19.582 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -20.674 -24.788 27.853 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -20.555 -24.214 28.610 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -20.019 -25.476 27.968 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -20.326 -28.693 19.606 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -20.673 -28.075 20.251 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -19.668 -28.192 19.125 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -24.669 -27.630 16.294 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -24.752 -26.741 16.640 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -23.779 -27.895 16.525 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -14.781 -13.874 24.406 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -14.937 -13.196 23.749 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -13.849 -13.802 24.609 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -20.378 -14.776 13.629 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -21.022 -15.407 13.951 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.616 -15.307 13.397 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -17.893 -15.904 30.983 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -18.244 -16.760 31.226 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -17.167 -15.761 31.590 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -15.774 -14.959 13.863 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -15.491 -15.753 14.316 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -15.034 -14.726 13.302 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -19.467 -18.002 13.456 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -19.735 -17.822 14.357 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -19.673 -18.928 13.325 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -22.599 -22.834 14.289 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -22.779 -22.988 13.361 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -21.648 -22.726 14.333 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.361 -20.713 31.660 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -18.408 -20.629 31.632 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.521 -21.424 32.279 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -22.047 -22.020 27.197 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -21.296 -22.176 26.624 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -22.386 -21.168 26.921 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -17.631 -24.205 32.225 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -17.439 -25.136 32.114 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -16.774 -23.780 32.215 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -16.315 -21.416 30.303 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -16.596 -20.707 29.725 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -15.372 -21.489 30.152 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -18.843 -26.554 30.028 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -19.791 -26.522 30.160 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -18.531 -27.179 30.682 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -17.209 -27.920 32.033 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.306 -28.872 32.027 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -17.531 -27.651 32.894 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -12.065 -13.224 24.635 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -12.087 -13.039 25.574 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -11.375 -12.655 24.294 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -12.502 -13.657 27.557 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -12.989 -14.392 27.186 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -11.953 -14.050 28.235 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -14.051 -17.867 32.195 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -14.917 -17.972 32.589 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -13.675 -17.108 32.642 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -15.327 -13.134 20.207 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -14.674 -13.481 19.599 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -14.816 -12.645 20.853 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -18.081 -13.608 26.207 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -18.985 -13.443 25.941 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.652 -12.755 26.141 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.476 -12.038 26.502 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -15.658 -11.122 26.291 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.300 -12.448 25.655 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -19.984 -28.507 22.615 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -20.659 -29.136 22.870 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -19.420 -28.991 22.012 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -23.078 -29.946 20.250 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -22.204 -29.558 20.220 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -23.214 -30.161 21.173 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -17.521 -29.916 21.899 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -17.445 -29.821 20.950 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -17.797 -30.824 22.028 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -26.960 -28.159 14.683 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -26.469 -28.789 14.155 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -26.337 -27.863 15.346 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -21.934 -27.866 17.140 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -21.756 -28.512 17.823 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -21.988 -27.032 17.607 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -17.305 -30.676 31.672 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -17.229 -31.102 32.526 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.412 -30.662 31.330 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -14.129 -14.603 30.365 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -14.911 -14.789 29.845 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -14.201 -13.674 30.582 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -12.594 -27.428 43.937 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -12.545 -26.818 44.673 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -12.168 -26.967 43.214 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -17.239 -26.403 39.077 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.593 -26.732 39.702 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -16.729 -25.885 38.454 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -15.475 -27.112 41.058 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -15.690 -27.878 41.590 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -14.819 -26.640 41.571 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -13.883 -30.351 35.153 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -14.782 -30.212 35.448 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -13.631 -29.520 34.751 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -12.693 -15.985 33.530 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -12.620 -15.046 33.700 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -11.788 -16.290 33.473 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -16.104 -21.068 32.970 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -16.062 -21.291 32.040 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -15.255 -20.670 33.160 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -17.798 -26.590 34.259 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -18.736 -26.478 34.108 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -17.501 -25.733 34.565 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -17.080 -24.723 35.920 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.188 -24.860 36.239 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -17.023 -23.932 35.383 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -12.195 -24.513 35.614 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -12.749 -24.909 34.942 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -12.094 -23.603 35.337 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -13.899 -15.727 36.079 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -14.272 -16.553 36.389 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -13.622 -15.910 35.182 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -16.507 -17.751 33.900 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -16.154 -18.131 34.704 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -17.456 -17.844 33.986 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -12.003 -13.271 34.101 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -11.260 -12.685 33.961 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -12.698 -12.703 34.434 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.641 -19.078 36.126 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -15.918 -19.806 36.682 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -14.714 -18.959 36.332 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -15.774 -14.959 32.719 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -15.491 -15.753 33.172 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.034 -14.726 32.158 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -13.209 -20.479 32.590 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -13.482 -20.904 31.777 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -13.169 -19.548 32.373 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -12.750 -19.610 36.565 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -11.900 -19.189 36.693 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -12.745 -20.350 37.173 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -12.356 -21.557 38.389 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -13.082 -22.036 38.787 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -11.775 -21.351 39.121 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -14.569 -23.036 38.952 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -14.719 -23.981 38.932 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -14.923 -22.755 39.796 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -14.859 -25.453 37.414 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.579 -26.360 37.539 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -14.100 -25.019 37.025 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.247 -24.872 42.850 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -13.314 -24.660 42.816 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.482 -24.770 43.773 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -14.245 -28.190 37.463 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -14.063 -28.639 38.288 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -14.845 -28.775 36.999 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -14.842 -30.400 41.583 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.238 -29.852 41.082 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -15.711 -30.080 41.343 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -17.521 -29.916 40.755 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.445 -29.821 39.806 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -17.797 -30.824 40.884 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.168 -29.890 36.448 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.871 -29.276 36.238 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -16.613 -30.728 36.579 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -12.202 -7.094 -10.395 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -12.891 -6.436 -10.490 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -12.187 -7.291 -9.458 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -12.489 -3.239 -11.571 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -13.141 -2.544 -11.482 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -12.024 -3.029 -12.381 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -11.776 3.102 -8.060 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -11.825 2.147 -8.097 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -12.602 3.370 -7.658 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.624 -5.405 -7.580 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -15.031 -4.924 -8.300 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -14.583 -6.310 -7.887 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -12.231 0.143 -8.117 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -13.083 0.381 -8.484 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -11.641 0.126 -8.870 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.470 -8.025 -9.024 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -15.386 -7.762 -9.112 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -14.134 -8.028 -9.921 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -17.631 -5.349 -5.487 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -17.439 -6.280 -5.598 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -16.774 -4.924 -5.497 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -17.209 -9.064 -5.679 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -17.306 -10.016 -5.685 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -17.531 -8.795 -4.818 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -12.597 0.084 -13.231 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -11.763 -0.294 -13.512 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.485 1.027 -13.350 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -13.713 -2.210 -7.977 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -13.130 -2.944 -7.786 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -13.149 -1.438 -7.931 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -12.216 -4.307 -7.293 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -13.079 -4.686 -7.458 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -11.612 -5.046 -7.367 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -14.218 -5.279 -10.942 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -15.061 -5.011 -10.576 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.775 -4.457 -11.153 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -12.415 -9.190 -7.239 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -13.332 -8.919 -7.275 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -12.292 -9.725 -8.023 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -13.414 -11.100 -9.420 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -14.227 -10.775 -9.808 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -13.181 -11.860 -9.953 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -17.305 -11.820 -6.040 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -17.229 -12.246 -5.186 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.412 -11.806 -6.382 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -12.594 -8.572 6.225 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -12.545 -7.962 6.961 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -12.168 -8.111 5.502 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.239 -7.547 1.365 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -16.593 -7.876 1.990 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -16.729 -7.029 0.742 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -12.202 -7.094 8.461 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -12.891 -6.436 8.366 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -12.187 -7.291 9.398 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -15.475 -8.256 3.346 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.690 -9.022 3.878 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -14.819 -7.784 3.859 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.128 -9.541 7.025 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.864 -8.930 6.987 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.444 -9.126 6.499 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -16.452 -2.407 -0.057 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -17.184 -2.179 0.516 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -16.005 -3.121 0.398 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -17.581 -3.245 -2.372 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -17.002 -3.095 -1.625 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -17.167 -2.774 -3.095 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -14.624 -5.405 11.276 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -15.031 -4.924 10.556 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.583 -6.310 10.969 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -20.193 -10.829 8.643 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -19.773 -11.244 9.396 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -21.126 -11.007 8.760 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -16.867 -7.073 9.497 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -17.381 -7.199 10.294 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -17.022 -6.161 9.252 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -17.798 -7.734 -3.453 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -18.736 -7.622 -3.604 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -17.501 -6.877 -3.147 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -17.080 -5.867 -1.792 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -16.188 -6.004 -1.473 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -17.023 -5.076 -2.329 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -18.410 -8.646 -1.023 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -18.190 -8.174 -1.826 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -17.852 -8.251 -0.352 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.470 -8.025 9.832 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -15.386 -7.762 9.744 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.134 -8.028 8.935 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -15.868 -4.274 3.928 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -16.665 -4.689 3.599 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -15.423 -4.965 4.419 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -13.209 -1.623 -5.122 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -13.482 -2.048 -5.935 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -13.169 -0.692 -5.339 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -17.631 -5.349 13.369 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -17.439 -6.280 13.258 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -16.774 -4.924 13.359 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -17.209 -9.064 13.177 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -17.306 -10.016 13.171 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -17.531 -8.795 14.038 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -12.750 -0.754 -1.147 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -11.900 -0.333 -1.019 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -12.745 -1.494 -0.539 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -12.356 -2.701 0.677 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -13.082 -3.180 1.075 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -11.775 -2.495 1.409 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -12.088 -2.800 -2.932 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -12.609 -2.443 -3.651 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -12.121 -2.125 -2.254 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -13.739 -5.560 -4.381 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -13.642 -4.893 -5.061 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -13.879 -6.376 -4.863 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -14.569 -4.180 1.240 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -14.719 -5.125 1.220 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -14.923 -3.899 2.084 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -12.216 -4.307 11.563 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -13.079 -4.686 11.398 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -11.612 -5.046 11.489 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -14.491 -8.152 -5.264 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.881 -8.524 -4.627 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -15.328 -8.574 -5.068 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -14.247 -6.016 5.138 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -13.314 -5.804 5.104 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -14.482 -5.914 6.061 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -14.842 -11.544 3.871 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -14.238 -10.996 3.370 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -15.711 -11.224 3.631 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -17.521 -11.060 3.043 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -17.445 -10.965 2.094 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -17.797 -11.968 3.172 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -16.168 -11.034 -1.264 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -16.871 -10.420 -1.474 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -16.613 -11.872 -1.133 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -17.305 -11.820 12.816 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -17.229 -12.246 13.670 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -16.412 -11.806 12.474 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -17.239 -7.547 20.221 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -16.593 -7.876 20.846 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -16.729 -7.029 19.598 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -15.475 -8.256 22.202 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -15.690 -9.022 22.734 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -14.819 -7.784 22.715 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -17.798 -7.734 15.403 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -18.736 -7.622 15.252 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -17.501 -6.877 15.709 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -17.080 -5.867 17.064 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -16.188 -6.004 17.383 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -17.023 -5.076 16.527 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.195 -5.657 16.758 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.749 -6.053 16.086 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -12.094 -4.747 16.481 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -18.410 -8.646 17.833 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -18.190 -8.174 17.030 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -17.852 -8.251 18.504 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -12.088 -2.800 15.924 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -12.609 -2.443 15.205 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -12.121 -2.125 16.602 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -13.739 -5.560 14.475 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -13.642 -4.893 13.795 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -13.879 -6.376 13.993 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -14.859 -6.597 18.558 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -14.579 -7.504 18.683 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -14.100 -6.163 18.169 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -14.245 -9.334 18.607 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -14.063 -9.783 19.432 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -14.845 -9.919 18.143 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -14.842 -11.544 22.727 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -14.238 -10.996 22.226 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -15.711 -11.224 22.487 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -13.115 -10.405 21.061 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -12.503 -10.919 20.534 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -12.732 -9.527 21.084 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -17.521 -11.060 21.899 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -17.445 -10.965 20.950 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -17.797 -11.968 22.028 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -16.168 -11.034 17.592 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -16.871 -10.420 17.382 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -16.613 -11.872 17.723 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -8.422 -40.703 6.551 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -8.380 -41.329 7.275 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -7.719 -40.080 6.733 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -7.498 -36.253 5.086 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -7.868 -37.055 4.717 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -6.557 -36.422 5.133 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -10.178 -40.431 2.605 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -9.964 -41.201 3.132 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -9.440 -40.342 2.002 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 0.027 -32.274 3.472 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 0.647 -32.951 3.199 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -0.181 -32.492 4.380 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -6.318 -36.832 8.113 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -6.324 -35.953 7.735 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -7.172 -36.915 8.538 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 3.428 -35.539 5.608 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 2.486 -35.481 5.769 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 3.704 -34.633 5.471 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 1.680 -33.758 2.233 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 2.105 -34.465 1.748 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 1.997 -32.957 1.816 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -4.584 -36.061 4.507 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -4.679 -36.639 3.750 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -3.855 -36.432 5.003 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 0.725 -35.217 6.193 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 0.484 -34.555 6.841 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 0.527 -36.051 6.618 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -4.704 -36.321 10.176 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -5.016 -35.539 10.632 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -5.354 -36.474 9.490 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -7.784 -40.123 9.405 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -7.714 -39.472 10.103 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -8.675 -40.020 9.070 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -6.465 -34.249 10.940 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -6.457 -34.385 9.992 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -7.381 -34.367 11.192 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -11.117 -35.276 5.114 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -10.171 -35.420 5.095 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -11.230 -34.492 5.651 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -1.941 -35.036 9.672 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -1.854 -34.210 10.147 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -2.805 -35.366 9.921 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -1.527 -31.264 -0.522 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -1.602 -31.385 -1.468 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -1.494 -30.314 -0.403 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -7.873 -32.475 1.259 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -7.721 -32.823 2.138 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -8.724 -32.831 1.004 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -8.040 -38.268 11.511 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -7.307 -38.014 12.072 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -8.820 -38.064 12.026 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -1.320 -38.076 9.585 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -1.666 -38.457 10.391 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -1.520 -37.142 9.656 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -10.707 -40.504 9.432 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -10.484 -40.922 10.264 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -11.309 -41.117 9.010 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 0.930 -35.614 9.535 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 0.029 -35.431 9.267 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 0.964 -35.355 10.456 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -3.398 -33.635 7.413 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -3.035 -32.780 7.180 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -2.866 -33.927 8.154 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -5.229 -32.762 0.643 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -6.179 -32.657 0.695 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -4.878 -31.942 0.988 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 2.805 -32.984 9.583 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 2.203 -33.539 9.088 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 3.086 -32.317 8.957 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 4.075 -32.730 5.550 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 3.919 -32.052 4.893 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 5.007 -32.658 5.753 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -3.649 -38.279 12.165 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -3.977 -38.008 11.307 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -3.497 -39.220 12.077 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -9.472 -41.049 12.152 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -9.064 -41.906 12.031 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -9.732 -41.034 13.073 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -11.628 -30.970 0.994 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -12.275 -31.432 0.461 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -11.273 -31.642 1.577 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -10.758 -32.889 2.799 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -11.092 -33.770 2.971 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -10.536 -32.544 3.663 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 6.791 -32.080 5.779 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 6.769 -31.895 6.718 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 7.481 -31.511 5.438 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 6.354 -32.513 8.701 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 5.867 -33.248 8.330 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 6.903 -32.906 9.379 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 4.805 -36.723 13.339 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 3.939 -36.828 13.733 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 5.181 -35.964 13.786 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 4.746 -34.750 7.932 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 4.098 -34.425 8.557 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 4.228 -35.190 7.257 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -10.678 -39.814 5.250 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -10.494 -39.896 4.315 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -9.829 -39.938 5.674 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -11.555 -43.232 5.351 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -11.063 -43.453 4.561 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -11.193 -42.391 5.632 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 3.529 -31.990 1.351 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 4.182 -32.337 0.743 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 4.040 -31.501 1.997 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -6.132 -34.086 8.153 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -6.557 -33.277 7.870 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -5.227 -34.001 7.851 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -9.315 -32.207 5.111 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -9.334 -32.632 5.968 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -8.510 -32.525 4.702 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -7.174 -33.497 3.766 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -7.393 -34.413 3.935 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -6.350 -33.357 4.232 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -4.637 -33.027 4.614 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -4.424 -33.915 4.327 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -4.572 -33.061 5.569 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 4.727 -33.459 11.509 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 3.945 -33.645 10.989 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 4.655 -32.530 11.726 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 0.277 -39.573 20.395 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 0.366 -38.629 20.263 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -0.362 -39.848 19.737 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -0.790 -40.318 23.814 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -0.828 -40.964 24.519 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -1.113 -40.784 23.043 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 2.916 -37.379 22.116 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 2.475 -38.099 22.566 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 2.903 -36.658 22.746 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -7.498 -36.253 23.942 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -7.868 -37.055 23.573 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -6.557 -36.422 23.989 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -2.401 -37.885 24.220 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -2.097 -38.571 23.626 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -1.679 -37.767 24.838 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 0.074 -36.972 19.438 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -0.222 -37.294 18.587 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -0.250 -36.072 19.480 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -4.726 -38.796 26.182 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -5.466 -38.198 26.285 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -4.012 -38.242 25.866 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -6.318 -36.832 26.969 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -6.324 -35.953 26.591 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -7.172 -36.915 27.394 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -10.197 -37.161 17.751 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -10.469 -36.932 16.862 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -10.152 -36.323 18.211 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 3.428 -35.539 24.464 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 2.486 -35.481 24.625 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 3.704 -34.633 24.327 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 1.680 -33.758 21.089 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 2.105 -34.465 20.604 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 1.997 -32.957 20.672 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 2.839 -35.857 19.598 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 2.582 -36.547 18.986 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 2.910 -36.300 20.443 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -5.951 -39.489 20.682 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -6.281 -39.859 19.863 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -5.363 -40.159 21.028 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 0.725 -35.217 25.049 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 0.484 -34.555 25.697 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 0.527 -36.051 25.474 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -4.704 -36.321 29.032 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -5.016 -35.539 29.488 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -5.354 -36.474 28.346 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 6.163 -34.841 14.674 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 6.236 -33.902 14.844 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 7.068 -35.146 14.617 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -11.117 -35.276 23.970 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -10.171 -35.420 23.951 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -11.230 -34.492 24.507 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -1.941 -35.036 28.528 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -1.854 -34.210 29.003 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -2.805 -35.366 28.777 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -8.619 -36.733 28.129 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -8.402 -37.094 28.989 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -9.474 -37.107 27.919 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 4.362 -30.742 30.759 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 4.562 -30.318 29.924 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 5.018 -30.399 31.366 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -2.840 -38.260 17.204 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -3.584 -38.767 16.881 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -2.974 -38.211 18.150 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -1.320 -38.076 28.441 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -1.666 -38.457 29.247 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -1.520 -37.142 28.512 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -7.715 -38.965 22.973 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -6.970 -38.967 22.372 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -7.637 -39.789 23.455 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -0.714 -36.801 16.229 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -1.009 -35.975 16.611 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -1.417 -37.421 16.425 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 0.930 -35.614 28.391 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 0.029 -35.431 28.123 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 0.964 -35.355 29.312 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 4.957 -34.583 17.223 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 4.584 -35.409 17.533 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 5.234 -34.766 16.326 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -9.585 -40.585 14.965 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -8.969 -39.958 15.344 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -10.447 -40.269 15.236 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -3.913 -37.784 19.954 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -4.154 -36.859 19.996 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -4.653 -38.243 20.350 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 0.146 -37.536 25.970 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -0.280 -37.763 26.796 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 0.727 -38.274 25.787 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 2.349 -36.607 15.044 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 2.702 -36.987 15.848 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 1.400 -36.700 15.130 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 2.805 -32.984 28.439 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 2.203 -33.539 27.944 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 3.086 -32.317 27.813 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 6.853 -32.127 15.245 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 7.596 -31.541 15.105 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 6.158 -31.559 15.578 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -9.422 -33.946 26.281 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -9.205 -34.878 26.250 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -9.175 -33.672 27.165 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -3.560 -35.495 13.491 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -3.321 -36.243 12.943 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -3.829 -35.883 14.323 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -4.623 -35.925 15.947 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -4.476 -36.445 16.737 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -4.626 -35.018 16.253 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -8.170 -38.672 16.457 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -8.856 -38.320 17.024 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -7.647 -37.909 16.211 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -7.554 -36.058 15.354 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -6.962 -35.359 15.630 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -7.095 -36.491 14.635 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 4.075 -32.730 24.406 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 3.919 -32.052 23.749 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 5.007 -32.658 24.609 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -10.211 -32.059 30.634 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -9.671 -32.276 31.393 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -10.692 -32.865 30.444 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -5.614 -33.140 32.254 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.846 -33.599 32.595 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -5.635 -33.366 31.324 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 0.963 -34.760 30.983 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 0.612 -35.616 31.226 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 1.689 -34.617 31.590 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 3.082 -33.815 13.863 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 3.365 -34.609 14.316 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 3.822 -33.582 13.302 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -5.963 -37.905 13.720 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -5.899 -38.699 14.251 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -5.310 -38.024 13.031 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -0.611 -36.858 13.456 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -0.879 -36.678 14.357 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -0.817 -37.784 13.325 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 6.791 -32.080 24.635 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 6.769 -31.895 25.574 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 7.481 -31.511 24.294 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 6.354 -32.513 27.557 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 5.867 -33.248 27.186 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 6.903 -32.906 28.235 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 3.529 -31.990 20.207 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 4.182 -32.337 19.599 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 4.040 -31.501 20.853 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -9.086 -35.061 30.750 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -9.907 -34.886 30.290 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -9.338 -35.134 31.671 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -6.132 -34.086 27.009 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -6.557 -33.277 26.726 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -5.227 -34.001 26.707 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 0.775 -32.464 26.207 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -0.129 -32.299 25.941 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 1.204 -31.611 26.141 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 3.380 -30.894 26.502 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 3.198 -29.978 26.291 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 3.556 -31.304 25.655 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -9.315 -32.207 23.967 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -9.334 -32.632 24.824 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -8.510 -32.525 23.558 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 5.509 -32.210 18.215 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 5.315 -32.958 17.650 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 5.470 -31.452 17.631 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 4.727 -33.459 30.365 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 3.945 -33.645 29.845 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 4.655 -32.530 30.582 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -10.197 -37.161 36.607 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -10.469 -36.932 35.718 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -10.152 -36.323 37.067 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -11.117 -35.276 42.826 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -10.171 -35.420 42.807 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -11.230 -34.492 43.363 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -1.527 -31.264 37.190 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -1.602 -31.385 36.244 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -1.494 -30.314 37.309 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 1.575 -32.110 34.193 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 1.950 -32.854 33.722 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 1.579 -32.380 35.111 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -5.340 -35.447 39.234 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -4.813 -34.674 39.033 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -6.220 -35.222 38.932 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -5.229 -32.762 38.355 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -6.179 -32.657 38.407 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -4.878 -31.942 38.700 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -3.560 -35.495 32.347 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -3.321 -36.243 31.799 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -3.829 -35.883 33.179 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -4.547 -33.184 35.534 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -4.386 -32.384 35.033 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -4.744 -32.877 36.419 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -7.554 -36.058 34.210 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -6.962 -35.359 34.486 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -7.095 -36.491 33.491 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -9.500 -34.672 38.160 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -10.332 -34.199 38.187 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.954 -34.162 37.561 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -1.522 -33.632 32.485 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -2.166 -34.263 32.807 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -0.760 -34.163 32.253 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 3.082 -33.815 32.719 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 3.365 -34.609 33.172 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 3.822 -33.582 32.158 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -3.845 -30.999 34.146 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -2.912 -30.841 34.290 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -4.109 -30.324 33.521 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -8.730 -30.830 45.912 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -9.450 -30.390 45.461 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -9.096 -31.081 46.761 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -6.263 -31.230 44.942 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -7.128 -31.158 45.346 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -6.318 -30.683 44.158 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -9.315 -32.207 42.823 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -9.334 -32.632 43.680 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -8.510 -32.525 42.414 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -7.174 -33.497 41.478 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -7.393 -34.413 41.647 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -6.350 -33.357 41.944 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -4.637 -33.027 42.326 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -4.424 -33.915 42.039 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -4.572 -33.061 43.281 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -1.200 -31.773 34.391 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -0.334 -31.407 34.213 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -1.447 -32.213 33.578 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -8.246 -32.063 33.019 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -8.514 -31.776 33.892 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -7.475 -32.609 33.171 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -4.704 -17.465 -8.680 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -5.016 -16.683 -8.224 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -5.354 -17.618 -9.366 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -7.784 -21.267 -9.451 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -7.714 -20.616 -8.753 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -8.675 -21.164 -9.786 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -6.465 -15.393 -7.916 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -6.457 -15.529 -8.864 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -7.381 -15.511 -7.664 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -1.941 -16.180 -9.184 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -1.854 -15.354 -8.709 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -2.805 -16.510 -8.935 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -8.619 -17.877 -9.583 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -8.402 -18.238 -8.723 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -9.474 -18.251 -9.793 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 4.362 -11.886 -6.953 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 4.562 -11.462 -7.788 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 5.018 -11.543 -6.346 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -8.040 -19.412 -7.345 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -7.307 -19.158 -6.784 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -8.820 -19.208 -6.830 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -3.690 -22.131 -7.211 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -3.986 -22.297 -8.106 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -2.759 -22.351 -7.221 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 0.930 -16.758 -9.321 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 0.029 -16.575 -9.589 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 0.964 -16.499 -8.400 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -3.398 -14.779 -11.443 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -3.035 -13.924 -11.676 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -2.866 -15.071 -10.702 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 2.805 -14.128 -9.273 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 2.203 -14.683 -9.768 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 3.086 -13.461 -9.899 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -10.211 -13.203 -7.078 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -9.671 -13.420 -6.319 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -10.692 -14.009 -7.268 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -5.614 -14.284 -5.458 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -4.846 -14.743 -5.117 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -5.635 -14.510 -6.388 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 0.963 -15.904 -6.729 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 0.612 -16.760 -6.486 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 1.689 -15.761 -6.122 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -10.304 -19.393 -6.124 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -10.160 -20.295 -6.410 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -11.077 -19.107 -6.612 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -3.649 -19.423 -6.691 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -3.977 -19.152 -7.549 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -3.497 -20.364 -6.779 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -9.472 -22.193 -6.704 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -9.064 -23.050 -6.825 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -9.732 -22.178 -5.783 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -0.505 -20.713 -6.052 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 0.448 -20.629 -6.080 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -0.665 -21.424 -5.433 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -6.707 -24.631 -6.336 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -7.474 -25.163 -6.546 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -6.028 -24.941 -6.935 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -2.703 -25.681 -6.760 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -2.939 -25.901 -5.858 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -3.486 -25.888 -7.269 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -9.086 -16.205 -6.962 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -9.907 -16.030 -7.422 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -9.338 -16.278 -6.041 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -6.132 -15.230 -10.703 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -6.557 -14.421 -10.986 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -5.227 -15.145 -11.005 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -1.821 -13.831 -7.744 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -1.636 -14.165 -6.866 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -0.974 -13.522 -8.066 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -8.730 -11.974 -10.656 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -9.450 -11.534 -11.107 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -9.096 -12.225 -9.807 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -6.263 -12.374 -11.626 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -7.128 -12.302 -11.222 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -6.318 -11.827 -12.410 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -1.552 -12.486 -12.450 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -2.009 -11.957 -13.104 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -1.389 -11.883 -11.725 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 0.775 -13.608 -11.505 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -0.129 -13.443 -11.771 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 1.204 -12.755 -11.571 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 3.380 -12.038 -11.210 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 3.198 -11.122 -11.421 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 3.556 -12.448 -12.057 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -4.637 -14.171 -14.242 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -4.424 -15.059 -14.529 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -4.572 -14.205 -13.287 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 4.727 -14.603 -7.347 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 3.945 -14.789 -7.867 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 4.655 -13.674 -7.130 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 1.617 -26.403 1.365 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 2.263 -26.732 1.990 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 2.127 -25.885 0.742 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -1.002 -21.473 -1.009 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -1.714 -20.938 -1.360 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -0.311 -21.417 -1.669 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -0.948 -23.015 -3.970 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -0.247 -22.993 -3.319 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -0.646 -23.643 -4.626 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 2.404 -21.263 -0.057 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 1.672 -21.035 0.516 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 2.851 -21.977 0.398 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.275 -22.101 -2.372 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 1.854 -21.951 -1.625 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 1.689 -21.630 -3.095 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 6.163 -15.985 -4.182 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 6.236 -15.046 -4.012 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 7.068 -16.290 -4.239 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 1.575 -13.254 -3.519 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 1.950 -13.998 -3.990 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 1.579 -13.524 -2.601 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 2.752 -21.068 -4.742 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 2.794 -21.291 -5.672 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 3.601 -20.670 -4.552 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -0.376 -23.804 0.093 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -0.785 -22.989 -0.199 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 0.344 -23.944 -0.522 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -4.793 -26.747 -4.971 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -5.224 -27.192 -4.241 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -5.511 -26.375 -5.483 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -10.276 -26.259 -2.495 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -9.802 -25.668 -3.080 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -10.994 -25.728 -2.148 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -4.849 -25.164 -1.155 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -3.917 -25.035 -0.977 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -5.064 -24.494 -1.804 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 1.776 -24.723 -1.792 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 2.668 -24.860 -1.473 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 1.833 -23.932 -2.329 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 4.957 -15.727 -1.633 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 4.584 -16.553 -1.323 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 5.234 -15.910 -2.530 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -9.585 -21.729 -3.891 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -8.969 -21.102 -3.512 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -10.447 -21.413 -3.620 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 2.349 -17.751 -3.812 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.702 -18.131 -3.008 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 1.400 -17.844 -3.726 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 6.853 -13.271 -3.611 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 7.596 -12.685 -3.751 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 6.158 -12.703 -3.278 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 3.215 -19.078 -1.586 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 2.938 -19.806 -1.030 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 4.142 -18.959 -1.380 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -3.560 -16.639 -5.365 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -3.321 -17.387 -5.913 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -3.829 -17.027 -4.533 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 0.446 -27.502 -1.023 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 0.666 -27.030 -1.826 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 1.004 -27.107 -0.352 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -2.354 -25.774 -0.188 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -1.542 -25.270 -0.142 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -2.599 -25.919 0.726 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -1.470 -28.693 0.750 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -1.817 -28.075 1.395 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -0.812 -28.192 0.269 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -5.813 -27.630 -2.562 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -5.896 -26.741 -2.216 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -4.923 -27.895 -2.331 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -9.238 -24.538 -4.386 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -9.283 -23.599 -4.207 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -10.126 -24.774 -4.656 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -1.522 -14.776 -5.227 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -2.166 -15.407 -4.905 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -0.760 -15.307 -5.459 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 3.082 -14.959 -4.993 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 3.365 -15.753 -4.540 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 3.822 -14.726 -5.554 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -0.611 -18.002 -5.400 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.879 -17.822 -4.499 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -0.817 -18.928 -5.531 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -3.743 -22.834 -4.567 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -3.923 -22.988 -5.495 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -2.792 -22.726 -4.523 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -3.845 -12.143 -3.566 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.912 -11.985 -3.422 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -4.109 -11.468 -4.191 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 6.791 -13.224 5.779 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 6.769 -13.039 6.718 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 7.481 -12.655 5.438 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 6.106 -19.610 -1.147 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 6.956 -19.189 -1.019 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 6.111 -20.350 -0.539 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 6.500 -21.557 0.677 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 5.774 -22.036 1.075 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 7.081 -21.351 1.409 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 4.287 -23.036 1.240 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 4.137 -23.981 1.220 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 3.933 -22.755 2.084 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 3.997 -25.453 -0.298 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 4.277 -26.360 -0.173 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 4.756 -25.019 -0.687 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 6.921 -30.155 13.268 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 7.271 -30.809 12.662 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 7.068 -29.318 12.828 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 4.611 -28.190 -0.249 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 4.793 -28.639 0.576 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 4.011 -28.775 -0.713 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -11.242 -28.118 -0.594 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -12.167 -27.909 -0.724 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -10.788 -27.634 -1.284 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 5.442 -29.956 9.436 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 4.629 -29.631 9.048 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 5.675 -30.716 8.903 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 4.014 -30.400 3.871 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 4.618 -29.852 3.370 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 3.145 -30.080 3.631 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 5.741 -29.261 2.205 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 6.353 -29.775 1.678 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 6.124 -28.383 2.228 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -9.965 -30.075 -2.616 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -9.526 -29.464 -3.207 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -10.599 -29.537 -2.142 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -4.222 -29.946 1.394 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -3.348 -29.558 1.364 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -4.358 -30.161 2.317 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -3.078 -27.866 -1.716 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -2.900 -28.512 -1.033 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -3.132 -27.032 -1.249 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 5.509 -13.354 -0.641 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 5.315 -14.102 -1.206 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 5.470 -12.596 -1.225 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -4.704 -17.465 29.032 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -5.016 -16.683 29.488 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.354 -17.618 28.346 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -6.465 -15.393 29.796 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -6.457 -15.529 28.848 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -7.381 -15.511 30.048 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 7.080 -15.754 29.652 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 7.031 -16.709 29.615 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 6.254 -15.486 30.054 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 4.362 -11.886 30.759 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 4.562 -11.462 29.924 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 5.018 -11.543 31.366 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 6.625 -18.713 29.595 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 5.773 -18.475 29.228 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 7.215 -18.730 28.842 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 6.853 -13.271 15.245 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 7.596 -12.685 15.105 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 6.158 -12.703 15.578 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -9.422 -15.090 26.281 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -9.205 -16.022 26.250 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -9.175 -14.816 27.165 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -10.211 -13.203 30.634 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -9.671 -13.420 31.393 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -10.692 -14.009 30.444 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -5.614 -14.284 32.254 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -4.846 -14.743 32.595 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -5.635 -14.510 31.324 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 6.354 -13.657 27.557 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 5.867 -14.392 27.186 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 6.903 -14.050 28.235 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 4.805 -17.867 32.195 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 3.939 -17.972 32.589 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 5.181 -17.108 32.642 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 5.143 -21.066 29.735 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 5.726 -21.800 29.926 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 5.707 -20.294 29.781 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 6.921 -30.155 32.124 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 7.271 -30.809 31.518 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 7.068 -29.318 31.684 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 6.441 -28.046 30.473 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 5.524 -27.775 30.437 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 6.564 -28.581 29.689 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 5.442 -29.956 28.292 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 4.629 -29.631 27.904 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 5.675 -30.716 27.759 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -8.730 -11.974 27.056 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -9.450 -11.534 26.605 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -9.096 -12.225 27.905 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -6.263 -12.374 26.086 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -7.128 -12.302 26.490 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -6.318 -11.827 25.302 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -9.315 -13.351 23.967 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -9.334 -13.776 24.824 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -8.510 -13.669 23.558 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 1.551 -30.676 31.672 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 1.627 -31.102 32.526 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 2.444 -30.662 31.330 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 4.727 -14.603 30.365 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 3.945 -14.789 29.845 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 4.655 -13.674 30.582 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 0.277 -20.717 39.251 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 0.366 -19.773 39.119 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -0.362 -20.992 38.593 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -10.888 -23.737 38.191 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -11.336 -22.891 38.173 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -11.449 -24.317 37.676 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -10.178 -21.575 40.317 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -9.964 -22.345 40.844 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -9.440 -21.486 39.714 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -6.105 -26.534 40.676 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -6.062 -25.674 40.258 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -6.563 -27.086 40.043 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 1.617 -26.403 39.077 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 2.263 -26.732 39.702 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 2.127 -25.885 38.454 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -9.485 -24.137 41.438 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -8.831 -24.687 41.870 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -9.461 -24.411 40.522 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -4.329 -22.587 40.654 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -3.713 -23.113 41.163 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -4.915 -23.227 40.250 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -7.295 -27.616 44.750 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -7.514 -27.086 43.984 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -7.963 -27.389 45.398 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 0.074 -18.116 38.294 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -0.222 -18.438 37.443 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -0.250 -17.216 38.336 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -7.701 -25.724 42.703 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -7.088 -25.091 43.076 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -7.189 -26.196 42.046 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -10.197 -18.305 36.607 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -10.469 -18.076 35.718 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -10.152 -17.467 37.067 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -3.269 -30.310 42.203 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -3.386 -31.259 42.149 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -4.124 -29.978 42.476 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 2.839 -17.001 38.454 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 2.582 -17.691 37.842 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 2.910 -17.444 39.299 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 2.404 -21.263 37.655 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 1.672 -21.035 38.228 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 2.851 -21.977 38.110 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.951 -20.633 39.538 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -6.281 -21.003 38.719 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.363 -21.303 39.884 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -0.999 -15.364 38.775 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -0.525 -15.069 39.553 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -1.562 -14.626 38.542 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 4.973 -30.351 35.153 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 4.074 -30.212 35.448 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 5.225 -29.520 34.751 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -6.961 -21.563 37.127 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -7.253 -20.795 36.636 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -7.635 -22.223 36.964 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 6.163 -15.985 33.530 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 6.236 -15.046 33.700 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 7.068 -16.290 33.473 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 1.575 -13.254 34.193 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 1.950 -13.998 33.722 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 1.579 -13.524 35.111 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 1.244 -13.328 36.942 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 0.309 -13.228 37.121 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 1.524 -14.037 37.520 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -6.000 -29.407 42.981 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -6.861 -29.494 42.573 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -6.022 -28.551 43.408 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -5.909 -24.441 44.076 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -6.551 -24.482 44.785 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -5.872 -23.515 43.838 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -0.376 -23.804 37.805 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -0.785 -22.989 37.513 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 0.344 -23.944 37.190 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 0.628 -24.358 40.619 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 0.433 -23.753 39.904 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 0.810 -25.192 40.184 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -3.330 -26.793 40.074 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -4.241 -26.736 40.363 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -2.825 -26.853 40.885 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -2.010 -24.005 41.961 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -1.446 -24.552 41.414 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -2.158 -24.527 42.750 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 1.776 -24.723 35.920 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 2.668 -24.860 36.239 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 1.833 -23.932 35.383 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 6.661 -24.513 35.614 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 6.107 -24.909 34.942 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 6.762 -23.603 35.337 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 4.957 -15.727 36.079 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 4.584 -16.553 36.389 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 5.234 -15.910 35.182 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -5.340 -16.591 39.234 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -4.813 -15.818 39.033 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -6.220 -16.366 38.932 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -3.913 -18.928 38.810 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -4.154 -18.003 38.852 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -4.653 -19.387 39.206 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 3.215 -19.078 36.126 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 2.938 -19.806 36.682 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 4.142 -18.959 36.332 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -4.623 -17.069 34.803 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -4.476 -17.589 35.593 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -4.626 -16.162 35.109 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 0.446 -27.502 36.689 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 0.666 -27.030 35.886 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 1.004 -27.107 37.360 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -1.885 -15.371 35.552 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -2.702 -14.874 35.605 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -1.356 -14.896 34.912 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -1.470 -28.693 38.462 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.817 -28.075 39.107 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -0.812 -28.192 37.981 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -4.547 -14.328 35.534 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -4.386 -13.528 35.033 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -4.744 -14.021 36.419 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -8.430 -29.756 41.999 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -8.659 -29.697 41.072 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -8.873 -30.548 42.306 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -9.500 -15.816 38.160 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -10.332 -15.343 38.187 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -8.954 -15.306 37.561 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -1.522 -14.776 32.485 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -2.166 -15.407 32.807 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -0.760 -15.307 32.253 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 3.082 -14.959 32.719 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 3.365 -15.753 33.172 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 3.822 -14.726 32.158 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 5.647 -20.479 32.590 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 5.374 -20.904 31.777 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 5.687 -19.548 32.373 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -3.845 -12.143 34.146 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -2.912 -11.985 34.290 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -4.109 -11.468 33.521 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 6.106 -19.610 36.565 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 6.956 -19.189 36.693 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 6.111 -20.350 37.173 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 6.768 -21.656 34.780 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 6.247 -21.299 34.061 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 6.735 -20.981 35.458 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 5.117 -24.416 33.331 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 5.214 -23.749 32.651 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 4.977 -25.232 32.849 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 4.287 -23.036 38.952 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 4.137 -23.981 38.932 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 3.933 -22.755 39.796 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 3.997 -25.453 37.414 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 4.277 -26.360 37.539 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 4.756 -25.019 37.025 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 4.611 -28.190 37.463 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 4.793 -28.639 38.288 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 4.011 -28.775 36.999 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -9.859 -27.375 41.994 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -9.414 -28.167 42.296 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -9.393 -26.659 42.425 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -11.555 -24.376 43.063 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -11.063 -24.597 42.273 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -11.193 -23.535 43.344 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 6.477 -28.123 33.991 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 6.890 -28.844 33.515 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 7.159 -27.453 34.049 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -11.278 -29.380 45.462 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -11.943 -29.626 46.105 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -11.721 -28.758 44.885 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -1.128 -28.507 41.471 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -1.803 -29.136 41.726 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -0.564 -28.991 40.868 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -4.222 -29.946 39.106 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -3.348 -29.558 39.076 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -4.358 -30.161 40.029 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 2.688 -29.890 36.448 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 1.985 -29.276 36.238 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 2.243 -30.728 36.579 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -10.064 -14.127 35.994 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -10.749 -14.165 35.326 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -10.061 -13.214 36.282 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -1.200 -12.917 34.391 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -0.334 -12.551 34.213 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -1.447 -13.357 33.578 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.246 -13.207 33.019 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -8.514 -12.920 33.892 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -7.475 -13.753 33.171 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 0.277 -1.861 -17.317 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 0.366 -0.917 -17.449 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -0.362 -2.136 -17.975 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -7.498 1.459 -13.770 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -7.868 0.657 -14.139 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -6.557 1.290 -13.723 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -10.178 -2.719 -16.251 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -9.964 -3.489 -15.724 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -9.440 -2.630 -16.854 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 0.027 5.438 -15.384 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 0.647 4.761 -15.657 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -0.181 5.220 -14.476 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 6.262 -8.572 -12.631 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 6.311 -7.962 -11.895 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 6.688 -8.111 -13.354 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -6.105 -7.678 -15.892 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -6.062 -6.818 -16.310 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -6.563 -8.230 -16.525 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -9.485 -5.281 -15.130 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -8.831 -5.831 -14.698 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -9.461 -5.555 -16.046 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -4.329 -3.731 -15.914 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -3.713 -4.257 -15.405 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -4.915 -4.371 -16.318 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 6.654 -7.094 -10.395 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 5.965 -6.436 -10.490 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 6.669 -7.291 -9.458 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -7.295 -8.760 -11.818 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -7.514 -8.230 -12.584 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -7.963 -8.533 -11.170 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 0.074 0.740 -18.274 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -0.222 0.418 -19.125 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -0.250 1.640 -18.232 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 3.381 -8.256 -15.510 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 3.166 -9.022 -14.978 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 4.037 -7.784 -14.997 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -7.701 -6.868 -13.865 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -7.088 -6.235 -13.492 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -7.189 -7.340 -14.522 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 3.728 -9.541 -11.831 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 2.992 -8.930 -11.869 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 4.412 -9.126 -12.357 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -3.269 -11.454 -14.365 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -3.386 -12.403 -14.419 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -4.124 -11.122 -14.092 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 1.680 3.954 -16.623 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 2.105 3.247 -17.108 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 1.997 4.755 -17.040 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 2.839 1.855 -18.114 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 2.582 1.165 -18.726 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 2.910 1.412 -17.269 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.002 -2.617 -19.865 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -1.714 -2.082 -20.216 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -0.311 -2.561 -20.525 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 2.404 -2.407 -18.913 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 1.672 -2.179 -18.340 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 2.851 -3.121 -18.458 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -5.951 -1.777 -17.030 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -6.281 -2.147 -17.849 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -5.363 -2.447 -16.684 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -4.584 1.651 -14.349 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -4.679 1.073 -15.106 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -3.855 1.280 -13.853 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -5.584 -3.008 -13.397 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -5.019 -2.887 -14.160 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -5.265 -2.371 -12.758 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -0.999 3.492 -17.793 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -0.525 3.787 -17.015 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -1.562 4.230 -18.026 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -6.465 3.463 -7.916 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -6.457 3.327 -8.864 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -7.381 3.345 -7.664 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -10.868 -0.344 -10.626 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -11.369 -0.372 -11.441 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -10.862 -1.250 -10.316 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 7.080 3.102 -8.060 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 7.031 2.147 -8.097 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 6.254 3.370 -7.658 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 4.232 -5.405 -7.580 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 3.825 -4.924 -8.300 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 4.273 -6.310 -7.887 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -8.619 0.979 -9.583 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -8.402 0.618 -8.723 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -9.474 0.605 -9.793 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -6.000 -10.551 -13.587 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -6.861 -10.638 -13.995 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -6.022 -9.695 -13.160 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -5.909 -5.585 -12.492 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -6.551 -5.626 -11.783 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -5.872 -4.659 -12.730 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -0.376 -4.948 -18.763 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -0.785 -4.133 -19.055 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 0.344 -5.088 -19.378 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 0.628 -5.502 -15.949 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 0.433 -4.897 -16.664 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 0.810 -6.336 -16.384 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -3.330 -7.937 -16.494 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -4.241 -7.880 -16.205 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -2.825 -7.997 -15.683 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 1.075 -8.702 -13.230 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 0.398 -8.571 -12.566 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 0.589 -8.857 -14.040 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -2.010 -5.149 -14.607 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -1.446 -5.696 -15.154 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -2.158 -5.671 -13.818 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -7.715 -1.253 -14.739 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -6.970 -1.255 -15.340 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -7.637 -2.077 -14.257 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 6.625 0.143 -8.117 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 5.773 0.381 -8.484 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 7.215 0.126 -8.870 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -5.340 2.265 -17.334 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -4.813 3.038 -17.535 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -6.220 2.490 -17.636 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -3.913 -0.072 -17.758 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -4.154 0.853 -17.716 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -4.653 -0.531 -17.362 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -3.398 4.077 -11.443 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -3.035 4.932 -11.676 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -2.866 3.785 -10.702 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 2.805 4.728 -9.273 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 2.203 4.173 -9.768 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 3.086 5.395 -9.899 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -9.073 -8.039 -9.866 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.966 -7.700 -9.933 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -9.172 -8.894 -9.448 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -9.422 3.766 -11.431 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -9.205 2.834 -11.462 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -9.175 4.040 -10.547 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 4.386 -8.025 -9.024 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 3.470 -7.762 -9.112 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 4.722 -8.028 -9.921 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 2.988 -4.274 -14.928 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 2.191 -4.689 -15.257 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 3.433 -4.965 -14.437 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 4.075 4.982 -13.306 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 3.919 5.660 -13.963 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 5.007 5.054 -13.103 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -5.614 4.572 -5.458 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -4.846 4.113 -5.117 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -5.635 4.346 -6.388 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 0.963 2.952 -6.729 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 0.612 2.096 -6.486 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 1.689 3.095 -6.122 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -10.304 -0.537 -6.124 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -10.160 -1.439 -6.410 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -11.077 -0.251 -6.612 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -8.526 -7.854 -6.631 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -8.315 -8.561 -7.242 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -8.638 -8.292 -5.787 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 6.791 5.632 -13.077 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 6.769 5.817 -12.138 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 7.481 6.201 -13.418 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 6.354 5.199 -10.155 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 5.867 4.464 -10.526 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 6.903 4.806 -9.477 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 4.805 0.989 -5.517 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 3.939 0.884 -5.123 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 5.181 1.748 -5.070 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 6.106 -0.754 -20.003 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 6.956 -0.333 -19.875 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 6.111 -1.494 -19.395 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 6.500 -2.701 -18.179 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 5.774 -3.180 -17.781 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 7.081 -2.495 -17.447 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 4.287 -4.180 -17.616 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 4.137 -5.125 -17.636 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 3.933 -3.899 -16.772 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -10.678 -2.102 -13.606 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -10.494 -2.184 -14.541 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -9.829 -2.226 -13.182 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 5.143 -2.210 -7.977 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 5.726 -2.944 -7.786 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 5.707 -1.438 -7.931 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 6.640 -4.307 -7.293 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 5.777 -4.686 -7.458 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 7.244 -5.046 -7.367 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 4.609 -6.016 -13.718 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 5.542 -5.804 -13.752 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 4.374 -5.914 -12.795 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -11.080 -6.831 -7.465 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -10.161 -6.953 -7.229 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -11.530 -7.581 -7.076 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 6.921 -11.299 -5.588 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 7.271 -11.953 -6.194 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 7.068 -10.462 -6.028 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -11.555 -5.520 -13.505 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -11.063 -5.741 -14.295 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -11.193 -4.679 -13.224 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 6.441 -9.190 -7.239 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 5.524 -8.919 -7.275 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 6.564 -9.725 -8.023 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 3.529 5.722 -17.505 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 4.182 5.375 -18.113 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 4.040 6.211 -16.859 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -9.086 2.651 -6.962 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -9.907 2.826 -7.422 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -9.338 2.578 -6.041 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -6.132 3.626 -10.703 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -6.557 4.435 -10.986 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -5.227 3.711 -11.005 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -1.821 5.025 -7.744 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -1.636 4.691 -6.866 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -0.974 5.334 -8.066 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 0.524 6.310 -8.500 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 1.201 5.678 -8.740 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 0.846 6.712 -7.692 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 5.442 -11.100 -9.420 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 4.629 -10.775 -9.808 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 5.675 -11.860 -9.953 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -1.552 6.370 -12.450 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -2.009 6.899 -13.104 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -1.389 6.973 -11.725 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 0.775 5.248 -11.505 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -0.129 5.413 -11.771 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 1.204 6.101 -11.571 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 3.380 6.818 -11.210 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 3.198 7.734 -11.421 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 3.556 6.408 -12.057 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -4.637 4.685 -14.242 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -4.424 3.797 -14.529 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -4.572 4.651 -13.287 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -1.128 -9.651 -15.097 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -1.803 -10.280 -14.842 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -0.564 -10.135 -15.700 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -8.844 -10.503 -7.758 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.210 -11.268 -7.315 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -7.931 -10.474 -7.471 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -6.871 -11.152 -6.222 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -5.972 -11.426 -6.407 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -7.257 -11.895 -5.758 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 1.551 -11.820 -6.040 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 1.627 -12.246 -5.186 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 2.444 -11.806 -6.382 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 4.727 4.253 -7.347 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 3.945 4.067 -7.867 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 4.655 5.182 -7.130 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 0.277 -1.861 1.539 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 0.366 -0.917 1.407 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -0.362 -2.136 0.881 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -0.790 -2.606 4.958 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -0.828 -3.252 5.663 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -1.113 -3.072 4.187 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -8.422 -2.991 6.551 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -8.380 -3.617 7.275 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -7.719 -2.368 6.733 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -10.178 -2.719 2.605 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -9.964 -3.489 3.132 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -9.440 -2.630 2.002 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -2.401 -0.173 5.364 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -2.097 -0.859 4.770 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -1.679 -0.055 5.982 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 6.262 -8.572 6.225 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 6.311 -7.962 6.961 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 6.688 -8.111 5.502 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 0.740 -5.779 5.692 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 0.883 -6.726 5.712 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 0.634 -5.572 4.763 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -9.485 -5.281 3.726 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -8.831 -5.831 4.158 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -9.461 -5.555 2.810 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -4.329 -3.731 2.942 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -3.713 -4.257 3.451 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -4.915 -4.371 2.538 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 6.654 -7.094 8.461 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 5.965 -6.436 8.366 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 6.669 -7.291 9.398 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 0.074 0.740 0.582 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -0.222 0.418 -0.269 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -0.250 1.640 0.624 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.381 -8.256 3.346 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 3.166 -9.022 3.878 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 4.037 -7.784 3.859 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -10.197 0.551 -1.105 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -10.469 0.780 -1.994 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -10.152 1.389 -0.645 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 2.404 -2.407 -0.057 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 1.672 -2.179 0.516 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 2.851 -3.121 0.398 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 2.301 -4.233 9.011 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 2.381 -3.470 9.583 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 1.700 -3.954 8.320 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -4.584 1.651 4.507 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -4.679 1.073 3.750 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -3.855 1.280 5.003 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -5.584 -3.008 5.459 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -5.019 -2.887 4.696 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -5.265 -2.371 6.098 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 1.275 -3.245 -2.372 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 1.854 -3.095 -1.625 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 1.689 -2.774 -3.095 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -0.999 3.492 1.063 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -0.525 3.787 1.841 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -1.562 4.230 0.830 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 4.973 -11.495 -2.559 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 4.074 -11.356 -2.264 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 5.225 -10.664 -2.961 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 4.232 -5.405 11.276 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 3.825 -4.924 10.556 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 4.273 -6.310 10.969 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 1.989 -7.073 9.497 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 1.475 -7.199 10.294 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 1.834 -6.161 9.252 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 2.752 -2.212 -4.742 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 2.794 -2.435 -5.672 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 3.601 -1.814 -4.552 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -5.909 -5.585 6.364 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -6.551 -5.626 7.073 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -5.872 -4.659 6.126 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -1.274 -4.773 11.581 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.837 -5.477 11.901 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -0.448 -4.893 12.048 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 0.628 -5.502 2.907 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 0.433 -4.897 2.192 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 0.810 -6.336 2.472 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.159 -5.265 8.231 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -8.197 -4.865 9.099 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -8.650 -6.082 8.321 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -0.108 -3.864 7.578 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 0.216 -4.495 6.935 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -0.548 -4.399 8.239 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 1.075 -8.702 5.626 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 0.398 -8.571 6.290 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 0.589 -8.857 4.816 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -2.010 -5.149 4.249 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -1.446 -5.696 3.702 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -2.158 -5.671 5.038 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -3.384 -6.761 6.663 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -4.219 -6.307 6.773 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -2.860 -6.485 7.415 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -7.715 -1.253 4.117 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -6.970 -1.255 3.516 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -7.637 -2.077 4.599 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -0.714 0.911 -2.627 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -1.009 1.737 -2.245 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -1.417 0.291 -2.431 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 6.661 -5.657 -2.098 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 6.107 -6.053 -2.770 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 6.762 -4.747 -2.375 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -5.340 2.265 1.522 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -4.813 3.038 1.321 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -6.220 2.490 1.220 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -5.229 4.950 0.643 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -6.179 5.055 0.695 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -4.878 5.770 0.988 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 2.349 1.105 -3.812 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 2.702 0.725 -3.008 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 1.400 1.012 -3.726 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -9.073 -8.039 8.990 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -9.966 -7.700 8.923 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -9.172 -8.894 9.408 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 3.215 -0.222 -1.586 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 2.938 -0.950 -1.030 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 4.142 -0.103 -1.380 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -3.560 2.217 -5.365 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -3.321 1.469 -5.913 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -3.829 1.829 -4.533 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -0.338 -8.298 7.880 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 0.360 -8.224 8.530 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.719 -9.162 8.035 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -1.885 3.485 -2.160 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -2.702 3.982 -2.107 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -1.356 3.960 -2.800 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -1.818 -5.932 8.997 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -1.699 -5.358 9.754 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -1.163 -6.620 9.112 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -4.547 4.528 -2.178 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -4.386 5.328 -2.679 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -4.744 4.835 -1.293 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 2.988 -4.274 3.928 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 2.191 -4.689 3.599 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 3.433 -4.965 4.419 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -7.554 1.654 -3.502 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -6.962 2.353 -3.226 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -7.095 1.221 -4.221 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -9.500 3.040 0.448 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -10.332 3.513 0.475 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -8.954 3.550 -0.151 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -1.522 4.080 -5.227 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -2.166 3.449 -4.905 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -0.760 3.549 -5.459 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -0.611 0.854 -5.400 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -0.879 1.034 -4.499 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -0.817 -0.072 -5.531 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -9.472 -3.337 12.152 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -9.064 -4.194 12.031 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -9.732 -3.322 13.073 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -5.525 -4.328 9.526 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -6.143 -3.653 9.807 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -5.181 -4.007 8.693 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 5.647 -1.623 -5.122 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 5.374 -2.048 -5.935 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 5.687 -0.692 -5.339 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.185 -6.973 10.609 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -5.035 -7.702 10.006 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -5.183 -6.196 10.050 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 1.225 -5.349 13.369 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 1.417 -6.280 13.258 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 2.082 -4.924 13.359 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -6.707 -5.775 12.520 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -7.474 -6.307 12.310 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -6.028 -6.085 11.921 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -2.703 -6.825 12.096 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -2.939 -7.045 12.998 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -3.486 -7.032 11.587 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -8.526 -7.854 12.225 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -8.315 -8.561 11.614 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -8.638 -8.292 13.069 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -10.277 1.349 -4.083 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -9.363 1.428 -3.810 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -10.270 0.662 -4.750 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 5.117 -5.560 -4.381 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 5.214 -4.893 -5.061 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 4.977 -6.376 -4.863 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 4.287 -4.180 1.240 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 4.137 -5.125 1.220 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 3.933 -3.899 2.084 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 4.365 -8.152 -5.264 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 4.975 -8.524 -4.627 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 3.528 -8.574 -5.068 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 4.609 -6.016 5.138 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 5.542 -5.804 5.104 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 4.374 -5.914 6.061 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 4.638 -5.279 7.914 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 3.795 -5.011 8.280 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 5.081 -4.457 7.703 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -11.080 -6.831 11.391 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -10.161 -6.953 11.627 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -11.530 -7.581 11.780 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 6.921 -11.299 13.268 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 7.271 -11.953 12.662 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 7.068 -10.462 12.828 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -11.555 -5.520 5.351 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -11.063 -5.741 4.561 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -11.193 -4.679 5.632 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 6.441 -9.190 11.617 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 5.524 -8.919 11.581 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 6.564 -9.725 10.833 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 6.477 -9.267 -3.721 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 6.890 -9.988 -4.197 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 7.159 -8.597 -3.663 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 4.014 -11.544 3.871 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 4.618 -10.996 3.370 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 3.145 -11.224 3.631 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 5.741 -10.405 2.205 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 6.353 -10.919 1.678 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 6.124 -9.527 2.228 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 0.277 -1.861 20.395 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 0.366 -0.917 20.263 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -0.362 -2.136 19.737 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -0.790 -2.606 23.814 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -0.828 -3.252 24.519 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -1.113 -3.072 23.043 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -8.422 -2.991 25.407 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -8.380 -3.617 26.131 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -7.719 -2.368 25.589 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -10.888 -4.881 19.335 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -11.336 -4.035 19.317 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -11.449 -5.461 18.820 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 6.262 -8.572 25.081 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 6.311 -7.962 25.817 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 6.688 -8.111 24.358 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 0.740 -5.779 24.548 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 0.883 -6.726 24.568 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 0.634 -5.572 23.619 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 1.617 -7.547 20.221 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 2.263 -7.876 20.846 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 2.127 -7.029 19.598 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -9.485 -5.281 22.582 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -8.831 -5.831 23.014 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -9.461 -5.555 21.666 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -4.329 -3.731 21.798 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -3.713 -4.257 22.307 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -4.915 -4.371 21.394 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -7.295 -8.760 25.894 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -7.514 -8.230 25.128 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -7.963 -8.533 26.542 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -4.726 -1.084 26.182 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -5.466 -0.486 26.285 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -4.012 -0.530 25.866 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -1.002 -2.617 17.847 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -1.714 -2.082 17.496 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -0.311 -2.561 17.187 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -0.948 -4.159 14.886 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -0.247 -4.137 15.537 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.646 -4.787 14.230 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -5.951 -1.777 20.682 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -6.281 -2.147 19.863 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -5.363 -2.447 21.028 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -5.584 -3.008 24.315 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -5.019 -2.887 23.552 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -5.265 -2.371 24.954 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 1.275 -3.245 16.484 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 1.854 -3.095 17.231 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 1.689 -2.774 15.761 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -6.961 -2.707 18.271 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -7.253 -1.939 17.780 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -7.635 -3.367 18.108 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 1.989 -7.073 28.353 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 1.475 -7.199 29.150 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 1.834 -6.161 28.108 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -0.376 -4.948 18.949 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -0.785 -4.133 18.657 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 0.344 -5.088 18.334 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 0.628 -5.502 21.763 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 0.433 -4.897 21.048 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 0.810 -6.336 21.328 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -8.159 -5.265 27.087 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -8.197 -4.865 27.955 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -8.650 -6.082 27.177 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -4.793 -7.891 13.885 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -5.224 -8.336 14.615 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -5.511 -7.519 13.373 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -11.551 -8.149 20.937 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -10.920 -8.178 21.657 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -11.101 -8.574 20.207 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -0.108 -3.864 26.434 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 0.216 -4.495 25.791 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -0.548 -4.399 27.095 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -8.502 -6.308 20.045 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -9.391 -6.208 19.705 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -8.206 -7.150 19.699 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -4.849 -6.308 17.701 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -3.917 -6.179 17.879 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -5.064 -5.638 17.052 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -6.175 -5.113 15.268 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -6.717 -5.493 14.577 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -5.341 -4.919 14.839 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 1.776 -5.867 17.064 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 2.668 -6.004 17.383 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 1.833 -5.076 16.527 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -7.715 -1.253 22.973 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -6.970 -1.255 22.372 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -7.637 -2.077 23.455 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 6.661 -5.657 16.758 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 6.107 -6.053 16.086 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 6.762 -4.747 16.481 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -9.585 -2.873 14.965 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -8.969 -2.246 15.344 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -10.447 -2.557 15.236 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -9.073 -8.039 27.846 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -9.966 -7.700 27.779 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -9.172 -8.894 28.264 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -0.338 -8.298 26.736 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 0.360 -8.224 27.386 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -0.719 -9.162 26.891 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -1.818 -5.932 27.853 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -1.699 -5.358 28.610 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -1.163 -6.620 27.968 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 4.386 -8.025 28.688 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 3.470 -7.762 28.600 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 4.722 -8.028 27.791 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 2.988 -4.274 22.784 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 2.191 -4.689 22.455 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 3.433 -4.965 23.275 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -9.238 -5.682 14.470 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -9.283 -4.743 14.649 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -10.126 -5.918 14.200 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -8.430 -10.900 23.143 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -8.659 -10.841 22.216 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -8.873 -11.692 23.450 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -4.814 -2.221 16.026 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -5.273 -2.705 16.712 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -4.559 -2.889 15.390 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -5.525 -4.328 28.382 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -6.143 -3.653 28.663 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -5.181 -4.007 27.549 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -3.743 -3.978 14.289 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -3.923 -4.132 13.361 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -2.792 -3.870 14.333 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -5.185 -6.973 29.465 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -5.035 -7.702 28.862 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -5.183 -6.196 28.906 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -3.191 -3.164 27.197 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -2.440 -3.320 26.624 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -3.530 -2.312 26.921 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 0.013 -7.698 30.028 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -0.935 -7.666 30.160 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 0.325 -8.323 30.682 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 1.647 -9.064 32.033 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 1.550 -10.016 32.027 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 1.325 -8.795 32.894 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -3.745 -11.853 30.060 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -3.033 -12.493 30.046 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -3.846 -11.586 29.146 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -3.392 -10.170 32.114 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -3.523 -10.646 31.293 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -3.991 -9.426 32.058 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 5.117 -5.560 14.475 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 5.214 -4.893 13.795 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 4.977 -6.376 13.993 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 4.287 -4.180 20.096 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 4.137 -5.125 20.076 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 3.933 -3.899 20.940 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 4.365 -8.152 13.592 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 4.975 -8.524 14.229 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 3.528 -8.574 13.788 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 3.997 -6.597 18.558 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 4.277 -7.504 18.683 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 4.756 -6.163 18.169 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 4.609 -6.016 23.994 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 5.542 -5.804 23.960 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 4.374 -5.914 24.917 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -9.859 -8.519 23.138 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -9.414 -9.311 23.440 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -9.393 -7.803 23.569 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 6.477 -9.267 15.135 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 6.890 -9.988 14.659 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 7.159 -8.597 15.193 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -11.278 -10.524 26.606 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -11.943 -10.770 27.249 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -11.721 -9.902 26.029 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 5.442 -11.100 28.292 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 4.629 -10.775 27.904 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 5.675 -11.860 27.759 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -8.802 -11.017 20.437 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -9.579 -11.251 19.929 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -8.271 -11.814 20.445 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.871 -11.152 31.490 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -5.972 -11.426 31.305 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -7.257 -11.895 31.954 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 1.551 -11.820 31.672 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 1.627 -12.246 32.526 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 2.444 -11.806 31.330 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -3.269 7.402 -14.365 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -3.386 6.453 -14.419 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -4.124 7.734 -14.092 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -1.337 8.027 -10.213 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -0.917 7.612 -9.460 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -2.270 7.849 -10.096 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 4.014 7.312 -14.985 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 4.618 7.860 -15.486 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 3.145 7.632 -15.225 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 1.335 7.796 -15.813 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 1.411 7.891 -16.762 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 1.059 6.888 -15.684 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 8.645 -32.059 11.778 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 9.185 -32.276 12.537 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 8.164 -32.865 11.588 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 10.126 -30.830 8.200 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 9.406 -30.390 7.749 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 9.760 -31.081 9.049 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 10.983 -32.475 20.115 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 11.135 -32.823 20.994 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 10.132 -32.831 19.860 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 8.645 -32.059 30.634 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 9.185 -32.276 31.393 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 8.164 -32.865 30.444 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 13.242 -33.140 32.254 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 14.010 -33.599 32.595 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 13.221 -33.366 31.324 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 7.228 -30.970 19.850 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 6.581 -31.432 19.317 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 7.583 -31.642 20.433 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 8.098 -32.889 21.655 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 7.764 -33.770 21.827 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 8.320 -32.544 22.519 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 10.126 -30.830 27.056 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 9.406 -30.390 26.605 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 9.760 -31.081 27.905 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 12.593 -31.230 26.086 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 11.728 -31.158 26.490 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 12.538 -30.683 25.302 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 9.541 -32.207 23.967 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 9.522 -32.632 24.824 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 10.346 -32.525 23.558 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 11.682 -33.497 22.622 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 11.463 -34.413 22.791 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 12.506 -33.357 23.088 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 8.792 -32.983 17.138 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 8.107 -33.021 16.470 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 8.795 -32.070 17.426 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 10.610 -32.063 14.163 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 10.342 -31.776 15.036 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 11.381 -32.609 14.315 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 15.011 -30.999 34.146 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 15.944 -30.841 34.290 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 14.747 -30.324 33.521 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 10.610 -32.063 33.019 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 10.342 -31.776 33.892 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 11.381 -32.609 33.171 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 11.358 -17.397 5.086 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 10.988 -18.199 4.717 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 12.299 -17.566 5.133 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 7.968 -23.737 0.479 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 7.520 -22.891 0.461 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 7.407 -24.317 -0.036 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 8.678 -21.575 2.605 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 8.892 -22.345 3.132 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 9.416 -21.486 2.002 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 12.751 -26.534 2.964 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 12.794 -25.674 2.546 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 12.293 -27.086 2.331 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 14.527 -22.587 2.942 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 15.143 -23.113 3.451 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 13.941 -23.227 2.538 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 11.561 -27.616 7.038 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 11.342 -27.086 6.272 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 10.893 -27.389 7.686 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 14.130 -19.940 7.326 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 13.390 -19.342 7.429 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 14.844 -19.386 7.010 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 11.155 -25.724 4.991 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 11.768 -25.091 5.364 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 11.667 -26.196 4.334 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 12.538 -17.976 8.113 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 12.532 -17.097 7.735 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 11.684 -18.059 8.538 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 8.659 -18.305 -1.105 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 8.387 -18.076 -1.994 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 8.704 -17.467 -0.645 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 12.905 -20.633 1.826 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 12.575 -21.003 1.007 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 13.493 -21.303 2.172 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 13.272 -21.864 5.459 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 13.837 -21.743 4.696 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 13.591 -21.227 6.098 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 14.152 -17.465 10.176 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 13.840 -16.683 10.632 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 13.502 -17.618 9.490 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 12.391 -15.393 10.940 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 12.399 -15.529 9.992 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 11.475 -15.511 11.192 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 10.237 -17.877 9.273 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 10.454 -18.238 10.133 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 9.382 -18.251 9.063 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 12.856 -29.407 5.269 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 11.995 -29.494 4.861 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 12.834 -28.551 5.696 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 12.947 -24.441 6.364 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 12.305 -24.482 7.073 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 12.984 -23.515 6.126 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 12.944 -24.220 1.276 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 12.051 -24.561 1.217 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 13.395 -24.597 0.520 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 7.305 -27.005 2.081 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 7.936 -27.034 2.801 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 7.755 -27.430 1.351 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 10.354 -25.164 1.189 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 9.465 -25.064 0.849 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 10.650 -26.006 0.843 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 10.816 -19.412 11.511 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 11.549 -19.158 12.072 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 10.036 -19.208 12.026 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 15.472 -25.617 6.663 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 14.637 -25.163 6.773 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 15.996 -25.341 7.415 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 11.141 -20.109 4.117 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 11.886 -20.111 3.516 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 11.219 -20.933 4.599 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 15.166 -22.131 11.645 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 14.870 -22.297 10.750 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 16.097 -22.351 11.635 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 9.434 -15.090 7.425 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 9.651 -16.022 7.394 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 9.681 -14.816 8.309 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 10.426 -29.756 4.287 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 10.197 -29.697 3.360 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 9.983 -30.548 4.594 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 9.356 -15.816 0.448 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 8.524 -15.343 0.475 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 9.902 -15.306 -0.151 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 8.645 -13.203 11.778 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 9.185 -13.420 12.537 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 8.164 -14.009 11.588 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 15.207 -19.423 12.165 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 14.879 -19.152 11.307 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 15.359 -20.364 12.077 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 9.384 -22.193 12.152 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 9.792 -23.050 12.031 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 9.124 -22.178 13.073 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 13.331 -23.184 9.526 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 12.713 -22.509 9.807 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 13.675 -22.863 8.693 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 13.671 -25.829 10.609 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 13.821 -26.558 10.006 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 13.673 -25.052 10.050 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 14.083 -27.459 8.101 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 14.619 -27.008 7.449 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 13.231 -27.567 7.679 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 15.665 -22.020 8.341 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 16.416 -22.176 7.768 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 15.326 -21.168 8.065 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 12.149 -24.631 12.520 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 11.382 -25.163 12.310 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 12.828 -24.941 11.921 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 7.228 -12.114 0.994 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 6.581 -12.576 0.461 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 7.583 -12.786 1.577 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 8.098 -14.033 2.799 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 7.764 -14.914 2.971 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 8.320 -13.688 3.663 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 8.997 -27.375 4.282 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 9.442 -28.167 4.584 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 9.463 -26.659 4.713 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 7.578 -29.380 7.750 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.913 -29.626 8.393 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 7.135 -28.758 7.173 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 9.770 -16.205 11.894 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 8.949 -16.030 11.434 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 9.518 -16.278 12.815 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 12.724 -15.230 8.153 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 12.299 -14.421 7.870 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 13.629 -15.145 7.851 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 10.126 -11.974 8.200 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 9.406 -11.534 7.749 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 9.760 -12.225 9.049 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 9.541 -13.351 5.111 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 9.522 -13.776 5.968 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 10.346 -13.669 4.702 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 11.682 -14.641 3.766 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 11.463 -15.557 3.935 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 12.506 -14.501 4.232 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 10.012 -29.359 11.098 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 9.646 -30.124 11.541 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 10.925 -29.330 11.385 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 11.985 -30.008 12.634 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 12.884 -30.282 12.449 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 11.599 -30.751 13.098 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 11.358 -17.397 23.942 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 10.988 -18.199 23.573 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 12.299 -17.566 23.989 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 14.527 -22.587 21.798 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 15.143 -23.113 22.307 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 13.941 -23.227 21.394 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 14.130 -19.940 26.182 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 13.390 -19.342 26.285 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 14.844 -19.386 25.866 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 12.538 -17.976 26.969 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 12.532 -17.097 26.591 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 11.684 -18.059 27.394 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 8.659 -18.305 17.751 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 8.387 -18.076 16.862 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 8.704 -17.467 18.211 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 15.587 -30.310 23.347 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 15.470 -31.259 23.293 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 14.732 -29.978 23.620 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 12.905 -20.633 20.682 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 12.575 -21.003 19.863 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 13.493 -21.303 21.028 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.272 -21.864 24.315 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 13.837 -21.743 23.552 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 13.591 -21.227 24.954 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 11.895 -21.563 18.271 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 11.603 -20.795 17.780 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 11.221 -22.223 18.108 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 7.988 -19.200 27.086 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 7.487 -19.228 26.271 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 7.994 -20.106 27.396 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.983 -13.619 20.115 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.135 -13.967 20.994 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 10.132 -13.975 19.860 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.237 -17.877 28.129 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 10.454 -18.238 28.989 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 9.382 -18.251 27.919 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 12.856 -29.407 24.125 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 11.995 -29.494 23.717 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 12.834 -28.551 24.552 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 17.519 -29.685 27.499 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 17.939 -30.100 28.252 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 16.586 -29.863 27.616 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 12.944 -24.220 20.132 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.051 -24.561 20.073 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 13.395 -24.597 19.376 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 17.582 -23.629 30.437 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 17.019 -24.333 30.757 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 18.408 -23.749 30.904 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 14.063 -26.747 13.885 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 13.632 -27.192 14.615 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 13.345 -26.375 13.373 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 15.526 -26.793 21.218 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 14.615 -26.736 21.507 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 16.031 -26.853 22.029 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 14.007 -25.164 17.701 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 14.939 -25.035 17.879 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 13.792 -24.494 17.052 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 12.681 -23.969 15.268 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 12.139 -24.349 14.577 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 13.515 -23.775 14.839 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 10.816 -19.412 30.367 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 11.549 -19.158 30.928 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 10.036 -19.208 30.882 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 11.848 -27.869 19.523 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 11.531 -28.771 19.488 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 12.629 -27.867 18.971 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 15.472 -25.617 25.519 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 14.637 -25.163 25.629 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 15.996 -25.341 26.271 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 11.141 -20.109 22.973 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 11.886 -20.111 22.372 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 11.219 -20.933 23.455 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 15.166 -22.131 30.501 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 14.870 -22.297 29.606 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 16.097 -22.351 30.491 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 13.516 -16.591 20.378 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 14.043 -15.818 20.177 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 12.636 -16.366 20.076 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 9.271 -21.729 14.965 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.887 -21.102 15.344 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.409 -21.413 15.236 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 13.627 -13.906 19.499 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.677 -13.801 19.551 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 13.978 -13.086 19.844 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 9.434 -15.090 26.281 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 9.651 -16.022 26.250 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.681 -14.816 27.165 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 10.686 -19.816 16.457 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 10.000 -19.464 17.024 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 11.209 -19.053 16.211 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 17.038 -24.788 27.853 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 17.157 -24.214 28.610 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 17.693 -25.476 27.968 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 13.043 -27.630 16.294 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 12.960 -26.741 16.640 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 13.933 -27.895 16.525 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 11.302 -17.202 15.354 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 11.894 -16.503 15.630 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 11.761 -17.635 14.635 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 9.356 -15.816 19.304 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 8.524 -15.343 19.331 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 9.902 -15.306 18.705 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 8.645 -13.203 30.634 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 9.185 -13.420 31.393 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.164 -14.009 30.444 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 8.552 -19.393 31.588 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 8.696 -20.295 31.302 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 7.779 -19.107 31.100 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 12.893 -19.049 13.720 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 12.957 -19.843 14.251 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 13.546 -19.168 13.031 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 15.207 -19.423 31.021 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 14.879 -19.152 30.163 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 15.359 -20.364 30.933 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 14.083 -27.459 26.957 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 14.619 -27.008 26.305 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 13.231 -27.567 26.535 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 15.665 -22.020 27.197 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 16.416 -22.176 26.624 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 15.326 -21.168 26.921 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 14.889 -30.003 27.389 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 14.791 -29.056 27.283 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 14.146 -30.375 26.913 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 16.153 -25.681 30.952 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 15.917 -25.901 31.854 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 15.370 -25.888 30.443 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 18.869 -26.554 30.028 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 17.921 -26.522 30.160 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 19.181 -27.179 30.682 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 15.111 -30.709 30.060 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 15.823 -31.349 30.046 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 15.010 -30.442 29.146 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 15.464 -29.026 32.114 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 15.333 -29.502 31.293 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 14.865 -28.282 32.058 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 8.579 -17.507 14.773 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 9.493 -17.428 15.046 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 8.586 -18.194 14.106 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 7.578 -29.380 26.606 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 6.913 -29.626 27.249 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.135 -28.758 26.029 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 10.126 -11.974 27.056 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 9.406 -11.534 26.605 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 9.760 -12.225 27.905 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 12.593 -12.374 26.086 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 11.728 -12.302 26.490 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 12.538 -11.827 25.302 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 9.541 -13.351 23.967 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 9.522 -13.776 24.824 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 10.346 -13.669 23.558 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 11.682 -14.641 22.622 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 11.463 -15.557 22.791 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 12.506 -14.501 23.088 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.054 -29.873 20.437 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 9.277 -30.107 19.929 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 10.585 -30.670 20.445 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 8.891 -30.075 16.240 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 9.330 -29.464 15.649 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 8.257 -29.537 16.714 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 14.634 -29.946 20.250 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 15.508 -29.558 20.220 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 14.498 -30.161 21.173 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 8.792 -14.127 17.138 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 8.107 -14.165 16.470 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 8.795 -13.214 17.426 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 10.752 -28.159 14.683 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 11.243 -28.789 14.155 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 11.375 -27.863 15.346 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 11.985 -30.008 31.490 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 12.884 -30.282 31.305 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 11.599 -30.751 31.954 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.610 -13.207 14.163 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.342 -12.920 15.036 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.381 -13.753 14.315 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 7.968 -23.737 38.191 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 7.520 -22.891 38.173 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.407 -24.317 37.676 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 11.895 -21.563 37.127 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 11.603 -20.795 36.636 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.221 -22.223 36.964 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 17.181 -27.192 33.640 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 16.927 -27.173 34.563 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 16.924 -28.064 33.339 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 14.063 -26.747 32.741 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 13.632 -27.192 33.471 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 13.345 -26.375 32.229 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 8.580 -26.259 35.217 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 9.054 -25.668 34.632 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 7.862 -25.728 35.564 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 10.354 -25.164 38.901 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 9.465 -25.064 38.561 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 10.650 -26.006 38.555 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 14.007 -25.164 36.557 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 14.939 -25.035 36.735 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 13.792 -24.494 35.908 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.686 -19.816 35.313 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 10.000 -19.464 35.880 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 11.209 -19.053 35.067 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 13.043 -27.630 35.150 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 12.960 -26.741 35.496 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 13.933 -27.895 35.381 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 12.893 -19.049 32.576 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 12.957 -19.843 33.107 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 13.546 -19.168 31.887 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 14.042 -21.077 34.882 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 13.583 -21.561 35.568 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.297 -21.745 34.246 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 15.113 -22.834 33.145 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 14.933 -22.988 32.217 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 16.064 -22.726 33.189 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 8.579 -17.507 33.629 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 9.493 -17.428 33.902 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.586 -18.194 32.962 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 7.614 -28.118 37.118 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 6.689 -27.909 36.988 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.068 -27.634 36.428 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 8.891 -30.075 35.096 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 9.330 -29.464 34.505 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 8.257 -29.537 35.570 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.752 -28.159 33.539 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 11.243 -28.789 33.011 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 11.375 -27.863 34.202 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 15.778 -27.866 35.996 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 15.956 -28.512 36.679 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 15.724 -27.032 36.463 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 10.434 -2.991 -12.305 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 10.476 -3.617 -11.581 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 11.137 -2.368 -12.123 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 11.358 1.459 -13.770 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 10.988 0.657 -14.139 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 12.299 1.290 -13.723 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 7.968 -4.881 -18.377 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 7.520 -4.035 -18.395 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 7.407 -5.461 -18.892 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 8.678 -2.719 -16.251 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 8.892 -3.489 -15.724 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 9.416 -2.630 -16.854 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 9.371 -5.281 -15.130 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 10.025 -5.831 -14.698 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 9.395 -5.555 -16.046 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 12.538 0.880 -10.743 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 12.532 1.759 -11.121 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.684 0.797 -10.318 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.659 0.551 -19.961 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 8.387 0.780 -20.850 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 8.704 1.389 -19.501 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 11.072 -2.411 -9.451 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.142 -1.760 -8.753 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 10.181 -2.308 -9.786 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 10.237 0.979 -9.583 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 10.454 0.618 -8.723 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 9.382 0.605 -9.793 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 10.697 -5.265 -10.625 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 10.659 -4.865 -9.757 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 10.206 -6.082 -10.535 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 10.816 -0.556 -7.345 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 11.549 -0.302 -6.784 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 10.036 -0.352 -6.830 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.141 -1.253 -14.739 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.886 -1.255 -15.340 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 11.219 -2.077 -14.257 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 8.149 -2.792 -9.424 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 8.372 -3.210 -8.592 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 7.547 -3.405 -9.846 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 9.434 3.766 -11.431 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 9.651 2.834 -11.462 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 9.681 4.040 -10.547 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 9.356 3.040 -18.408 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 8.524 3.513 -18.381 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 9.902 3.550 -19.007 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 8.552 -0.537 -6.124 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 8.696 -1.439 -6.410 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 7.779 -0.251 -6.612 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.384 -3.337 -6.704 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.792 -4.194 -6.825 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 9.124 -3.322 -5.783 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.098 4.823 -16.057 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 7.764 3.942 -15.885 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.320 5.168 -15.193 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 7.776 -6.831 -7.465 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 8.695 -6.953 -7.229 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 7.326 -7.581 -7.076 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 7.301 -5.520 -13.505 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 7.793 -5.741 -14.295 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 7.663 -4.679 -13.224 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.770 2.651 -6.962 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 8.949 2.826 -7.422 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 9.518 2.578 -6.041 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 9.541 5.505 -13.745 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 9.522 5.080 -12.888 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 10.346 5.187 -14.154 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 11.682 4.215 -15.090 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 11.463 3.299 -14.921 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 12.506 4.355 -14.624 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 7.305 -8.149 2.081 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 7.936 -8.178 2.801 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 7.755 -8.574 1.351 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 7.776 -6.831 11.391 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.695 -6.953 11.627 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 7.326 -7.581 11.780 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 7.614 -9.262 -0.594 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 6.689 -9.053 -0.724 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.068 -8.778 -1.284 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 7.578 -10.524 7.750 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 6.913 -10.770 8.393 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 7.135 -9.902 7.173 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 10.012 -10.503 11.098 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 9.646 -11.268 11.541 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 10.925 -10.474 11.385 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 7.968 -4.881 19.335 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 7.520 -4.035 19.317 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 7.407 -5.461 18.820 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 12.751 -7.678 21.820 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 12.794 -6.818 21.402 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 12.293 -8.230 21.187 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 9.371 -5.281 22.582 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 10.025 -5.831 23.014 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 9.395 -5.555 21.666 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 11.561 -8.760 25.894 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 11.342 -8.230 25.128 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 10.893 -8.533 26.542 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 11.155 -6.868 23.847 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 11.768 -6.235 24.220 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 11.667 -7.340 23.190 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 12.856 -10.551 24.125 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 11.995 -10.638 23.717 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.834 -9.695 24.552 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 7.305 -8.149 20.937 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 7.936 -8.178 21.657 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.755 -8.574 20.207 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.580 -7.403 16.361 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 9.054 -6.812 15.776 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 7.862 -6.872 16.708 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 10.354 -6.308 20.045 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 9.465 -6.208 19.705 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.650 -7.150 19.699 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 11.848 -9.013 19.523 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 11.531 -9.915 19.488 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 12.629 -9.011 18.971 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 10.426 -10.900 23.143 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 10.197 -10.841 22.216 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 9.983 -11.692 23.450 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 8.997 -8.519 23.138 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 9.442 -9.311 23.440 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 9.463 -7.803 23.569 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 7.301 -5.520 24.207 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 7.793 -5.741 23.417 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 7.663 -4.679 24.488 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 7.614 -9.262 18.262 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.689 -9.053 18.132 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 8.068 -8.778 17.572 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 7.578 -10.524 26.606 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 6.913 -10.770 27.249 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 7.135 -9.902 26.029 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.891 -11.219 16.240 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 9.330 -10.608 15.649 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.257 -10.681 16.714 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 10.752 -9.303 14.683 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 11.243 -9.933 14.155 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 11.375 -9.007 15.346 0.00 0.00 WAT1 END