REMARK FILENAME="resa_01_waterIni.pdb" 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:29-Apr-2011 14:40:29 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 -0.004 11.192 12.149 1.00 25.11 A ATOM 2 CB MET 1 1.914 11.079 13.094 1.00 51.01 A ATOM 3 HB1 MET 1 2.372 11.304 12.142 1.00 52.13 A ATOM 4 HB2 MET 1 2.494 10.317 13.591 1.00 63.34 A ATOM 5 CG MET 1 1.949 12.337 13.947 1.00 74.30 A ATOM 6 HG1 MET 1 2.974 12.661 14.044 1.00 22.40 A ATOM 7 HG2 MET 1 1.551 12.104 14.924 1.00 0.10 A ATOM 8 SD MET 1 0.981 13.683 13.238 1.00 45.11 A ATOM 9 CE MET 1 0.731 14.716 14.679 1.00 44.25 A ATOM 10 HE1 MET 1 0.595 15.741 14.368 1.00 53.33 A ATOM 11 HE2 MET 1 -0.145 14.382 15.213 1.00 75.22 A ATOM 12 HE3 MET 1 1.595 14.648 15.325 1.00 21.31 A ATOM 13 C MET 1 0.574 9.140 12.255 1.00 24.13 A ATOM 14 O MET 1 1.659 8.614 12.008 1.00 33.54 A ATOM 15 N MET 1 -0.262 10.544 14.091 1.00 0.00 A ATOM 16 HT1 MET 1 0.262 10.053 14.848 1.00 37.36 A ATOM 17 HT2 MET 1 -1.175 10.062 13.966 1.00 37.36 A ATOM 18 HT3 MET 1 -0.466 11.509 14.403 1.00 37.36 A ATOM 19 CA MET 1 0.502 10.543 12.849 1.00 52.33 A ATOM 20 N LYS 2 -0.589 8.538 12.030 1.00 54.22 A ATOM 21 HN LYS 2 -1.421 9.009 12.248 1.00 45.25 A ATOM 22 CA LYS 2 -0.659 7.196 11.463 1.00 25.04 A ATOM 23 HA LYS 2 0.151 6.617 11.881 1.00 54.43 A ATOM 24 CB LYS 2 -1.988 6.533 11.835 1.00 30.12 A ATOM 25 HB1 LYS 2 -2.047 5.574 11.341 1.00 71.11 A ATOM 26 HB2 LYS 2 -2.798 7.158 11.488 1.00 23.04 A ATOM 27 CG LYS 2 -2.162 6.312 13.328 1.00 63.52 A ATOM 28 HG1 LYS 2 -2.255 7.271 13.816 1.00 3.13 A ATOM 29 HG2 LYS 2 -1.294 5.794 13.709 1.00 1.23 A ATOM 30 CD LYS 2 -3.399 5.483 13.627 1.00 33.33 A ATOM 31 HD1 LYS 2 -4.216 5.835 13.012 1.00 24.43 A ATOM 32 HD2 LYS 2 -3.655 5.599 14.671 1.00 42.32 A ATOM 33 CE LYS 2 -3.165 4.007 13.341 1.00 0.34 A ATOM 34 HE1 LYS 2 -2.450 3.919 12.537 1.00 52.44 A ATOM 35 HE2 LYS 2 -4.099 3.559 13.044 1.00 73.22 A ATOM 36 NZ LYS 2 -2.639 3.288 14.536 1.00 71.42 A ATOM 37 HZ1 LYS 2 -3.428 2.970 15.136 1.00 21.20 A ATOM 38 HZ2 LYS 2 -2.027 3.917 15.091 1.00 2.52 A ATOM 39 HZ3 LYS 2 -2.087 2.458 14.239 1.00 41.12 A ATOM 40 C LYS 2 -0.504 7.236 9.947 1.00 30.25 A ATOM 41 O LYS 2 -0.839 8.233 9.306 1.00 22.34 A ATOM 42 N ILE 3 0.002 6.146 9.380 1.00 1.11 A ATOM 43 HN ILE 3 0.248 5.384 9.944 1.00 10.12 A ATOM 44 CA ILE 3 0.198 6.057 7.938 1.00 34.34 A ATOM 45 HA ILE 3 -0.351 6.866 7.476 1.00 4.34 A ATOM 46 CB ILE 3 1.683 6.200 7.561 1.00 1.00 A ATOM 47 HB ILE 3 2.231 5.397 8.032 1.00 75.43 A ATOM 48 CG1 ILE 3 2.232 7.538 8.061 1.00 33.25 A ATOM 49 HG11 ILE 3 2.038 7.624 9.122 1.00 25.31 A ATOM 50 HG12 ILE 3 1.733 8.341 7.543 1.00 14.11 A ATOM 51 CG2 ILE 3 1.862 6.078 6.056 1.00 23.12 A ATOM 52 HG21 ILE 3 0.893 6.039 5.579 1.00 4.44 A ATOM 53 HG22 ILE 3 2.409 6.933 5.688 1.00 51.34 A ATOM 54 HG23 ILE 3 2.411 5.176 5.831 1.00 63.45 A ATOM 55 CD1 ILE 3 3.720 7.700 7.845 1.00 61.41 A ATOM 56 HD11 ILE 3 3.895 8.233 6.923 1.00 2.01 A ATOM 57 HD12 ILE 3 4.146 8.253 8.668 1.00 42.11 A ATOM 58 HD13 ILE 3 4.184 6.725 7.790 1.00 65.22 A ATOM 59 C ILE 3 -0.329 4.733 7.393 1.00 1.04 A ATOM 60 O ILE 3 0.069 3.660 7.848 1.00 22.23 A ATOM 61 N LEU 4 -1.223 4.816 6.413 1.00 23.02 A ATOM 62 HN LEU 4 -1.500 5.699 6.093 1.00 32.20 A ATOM 63 CA LEU 4 -1.802 3.624 5.803 1.00 12.22 A ATOM 64 HA LEU 4 -1.239 2.769 6.146 1.00 2.33 A ATOM 65 CB LEU 4 -3.260 3.465 6.234 1.00 54.13 A ATOM 66 HB1 LEU 4 -3.516 2.418 6.151 1.00 13.23 A ATOM 67 HB2 LEU 4 -3.870 4.037 5.553 1.00 54.22 A ATOM 68 CG LEU 4 -3.595 3.920 7.655 1.00 73.21 A ATOM 69 HG LEU 4 -3.340 4.965 7.761 1.00 54.42 A ATOM 70 CD1 LEU 4 -5.083 3.771 7.928 1.00 31.31 A ATOM 71 HD11 LEU 4 -5.402 2.776 7.654 1.00 21.25 A ATOM 72 HD12 LEU 4 -5.630 4.496 7.343 1.00 11.14 A ATOM 73 HD13 LEU 4 -5.276 3.936 8.977 1.00 32.33 A ATOM 74 CD2 LEU 4 -2.784 3.131 8.672 1.00 64.21 A ATOM 75 HD21 LEU 4 -2.026 2.556 8.159 1.00 23.43 A ATOM 76 HD22 LEU 4 -3.437 2.463 9.215 1.00 75.20 A ATOM 77 HD23 LEU 4 -2.312 3.813 9.364 1.00 65.00 A ATOM 78 C LEU 4 -1.712 3.693 4.283 1.00 14.11 A ATOM 79 O LEU 4 -2.216 4.631 3.663 1.00 30.01 A ATOM 80 N ILE 5 -1.071 2.694 3.687 1.00 32.51 A ATOM 81 HN ILE 5 -0.693 1.975 4.235 1.00 44.24 A ATOM 82 CA ILE 5 -0.920 2.639 2.238 1.00 0.44 A ATOM 83 HA ILE 5 -0.833 3.653 1.874 1.00 50.22 A ATOM 84 CB ILE 5 0.349 1.867 1.832 1.00 5.23 A ATOM 85 HB ILE 5 0.218 0.833 2.111 1.00 34.41 A ATOM 86 CG1 ILE 5 1.570 2.431 2.562 1.00 23.24 A ATOM 87 HG11 ILE 5 2.448 1.882 2.256 1.00 71.44 A ATOM 88 HG12 ILE 5 1.431 2.314 3.627 1.00 52.24 A ATOM 89 CG2 ILE 5 0.550 1.931 0.326 1.00 43.44 A ATOM 90 HG21 ILE 5 0.510 2.961 0.002 1.00 64.32 A ATOM 91 HG22 ILE 5 1.513 1.512 0.073 1.00 13.31 A ATOM 92 HG23 ILE 5 -0.230 1.368 -0.165 1.00 5.20 A ATOM 93 CD1 ILE 5 1.817 3.897 2.284 1.00 0.14 A ATOM 94 HD11 ILE 5 2.865 4.053 2.075 1.00 71.15 A ATOM 95 HD12 ILE 5 1.228 4.207 1.434 1.00 25.12 A ATOM 96 HD13 ILE 5 1.534 4.480 3.149 1.00 32.24 A ATOM 97 C ILE 5 -2.131 1.984 1.582 1.00 20.14 A ATOM 98 O ILE 5 -2.484 0.847 1.900 1.00 13.24 A ATOM 99 N LEU 6 -2.764 2.707 0.665 1.00 62.42 A ATOM 100 HN LEU 6 -2.437 3.605 0.454 1.00 13.41 A ATOM 101 CA LEU 6 -3.936 2.195 -0.037 1.00 33.11 A ATOM 102 HA LEU 6 -4.309 1.347 0.517 1.00 73.43 A ATOM 103 CB LEU 6 -5.024 3.267 -0.103 1.00 12.32 A ATOM 104 HB1 LEU 6 -4.861 3.849 -0.998 1.00 0.32 A ATOM 105 HB2 LEU 6 -4.915 3.903 0.762 1.00 42.20 A ATOM 106 CG LEU 6 -6.466 2.759 -0.129 1.00 71.02 A ATOM 107 HG LEU 6 -7.139 3.605 -0.149 1.00 12.21 A ATOM 108 CD1 LEU 6 -6.717 1.931 -1.380 1.00 15.11 A ATOM 109 HD11 LEU 6 -6.557 0.887 -1.159 1.00 21.14 A ATOM 110 HD12 LEU 6 -6.040 2.242 -2.160 1.00 4.40 A ATOM 111 HD13 LEU 6 -7.736 2.078 -1.710 1.00 23.42 A ATOM 112 CD2 LEU 6 -6.768 1.945 1.121 1.00 43.22 A ATOM 113 HD21 LEU 6 -6.204 1.024 1.095 1.00 54.04 A ATOM 114 HD22 LEU 6 -7.825 1.720 1.159 1.00 42.23 A ATOM 115 HD23 LEU 6 -6.489 2.513 1.996 1.00 51.11 A ATOM 116 C LEU 6 -3.570 1.740 -1.447 1.00 33.30 A ATOM 117 O LEU 6 -3.221 2.554 -2.302 1.00 52.41 A ATOM 118 N ILE 7 -3.654 0.435 -1.681 1.00 25.53 A ATOM 119 HN ILE 7 -3.937 -0.164 -0.960 1.00 20.02 A ATOM 120 CA ILE 7 -3.333 -0.128 -2.988 1.00 33.00 A ATOM 121 HA ILE 7 -3.277 0.686 -3.695 1.00 73.14 A ATOM 122 CB ILE 7 -1.974 -0.852 -2.971 1.00 42.43 A ATOM 123 HB ILE 7 -2.029 -1.657 -2.256 1.00 72.23 A ATOM 124 CG1 ILE 7 -0.863 0.114 -2.555 1.00 34.01 A ATOM 125 HG11 ILE 7 -1.278 0.867 -1.901 1.00 23.32 A ATOM 126 HG12 ILE 7 -0.461 0.591 -3.436 1.00 12.14 A ATOM 127 CG2 ILE 7 -1.677 -1.452 -4.338 1.00 14.53 A ATOM 128 HG21 ILE 7 -2.136 -2.427 -4.410 1.00 0.24 A ATOM 129 HG22 ILE 7 -2.079 -0.809 -5.108 1.00 51.21 A ATOM 130 HG23 ILE 7 -0.611 -1.545 -4.466 1.00 63.31 A ATOM 131 CD1 ILE 7 0.280 -0.558 -1.829 1.00 31.34 A ATOM 132 HD11 ILE 7 -0.062 -0.909 -0.866 1.00 22.20 A ATOM 133 HD12 ILE 7 0.638 -1.394 -2.412 1.00 13.24 A ATOM 134 HD13 ILE 7 1.083 0.151 -1.687 1.00 62.15 A ATOM 135 C ILE 7 -4.412 -1.105 -3.444 1.00 35.30 A ATOM 136 O ILE 7 -4.733 -2.063 -2.741 1.00 40.54 A ATOM 137 N ASN 8 -4.966 -0.857 -4.627 1.00 32.44 A ATOM 138 HN ASN 8 -4.668 -0.078 -5.140 1.00 23.33 A ATOM 139 CA ASN 8 -6.008 -1.716 -5.177 1.00 21.41 A ATOM 140 HA ASN 8 -6.307 -2.409 -4.407 1.00 35.44 A ATOM 141 CB ASN 8 -7.219 -0.880 -5.595 1.00 73.44 A ATOM 142 HB1 ASN 8 -6.946 -0.252 -6.428 1.00 43.42 A ATOM 143 HB2 ASN 8 -7.524 -0.259 -4.765 1.00 24.24 A ATOM 144 CG ASN 8 -8.399 -1.739 -6.008 1.00 4.31 A ATOM 145 OD1 ASN 8 -8.977 -1.545 -7.076 1.00 73.42 A ATOM 146 ND2 ASN 8 -8.761 -2.693 -5.159 1.00 33.12 A ATOM 147 HD21 ASN 8 -8.255 -2.789 -4.325 1.00 53.14 A ATOM 148 HD22 ASN 8 -9.521 -3.263 -5.401 1.00 22.13 A ATOM 149 C ASN 8 -5.485 -2.507 -6.372 1.00 41.25 A ATOM 150 O ASN 8 -5.142 -1.935 -7.409 1.00 5.24 A ATOM 151 N THR 9 -5.426 -3.827 -6.224 1.00 53.31 A ATOM 152 HN THR 9 -5.714 -4.223 -5.375 1.00 20.54 A ATOM 153 CA THR 9 -4.946 -4.696 -7.290 1.00 71.21 A ATOM 154 HA THR 9 -4.748 -4.083 -8.157 1.00 50.31 A ATOM 155 CB THR 9 -3.638 -5.405 -6.890 1.00 12.30 A ATOM 156 HB THR 9 -2.821 -4.706 -6.997 1.00 42.11 A ATOM 157 OG1 THR 9 -3.407 -6.528 -7.747 1.00 64.22 A ATOM 158 HG1 THR 9 -2.958 -6.236 -8.544 1.00 30.11 A ATOM 159 CG2 THR 9 -3.695 -5.868 -5.442 1.00 61.12 A ATOM 160 HG21 THR 9 -4.619 -6.400 -5.270 1.00 53.41 A ATOM 161 HG22 THR 9 -3.644 -5.011 -4.788 1.00 11.34 A ATOM 162 HG23 THR 9 -2.861 -6.523 -5.241 1.00 21.44 A ATOM 163 C THR 9 -5.989 -5.747 -7.654 1.00 44.34 A ATOM 164 O THR 9 -6.710 -6.245 -6.791 1.00 63.34 A ATOM 165 N ASN 10 -6.062 -6.079 -8.939 1.00 60.22 A ATOM 166 HN ASN 10 -5.460 -5.647 -9.581 1.00 50.24 A ATOM 167 CA ASN 10 -7.017 -7.072 -9.419 1.00 51.45 A ATOM 168 HA ASN 10 -7.813 -7.142 -8.695 1.00 1.34 A ATOM 169 CB ASN 10 -7.604 -6.637 -10.764 1.00 32.21 A ATOM 170 HB1 ASN 10 -6.925 -6.918 -11.555 1.00 1.34 A ATOM 171 HB2 ASN 10 -7.729 -5.564 -10.765 1.00 41.04 A ATOM 172 CG ASN 10 -8.951 -7.275 -11.038 1.00 71.24 A ATOM 173 OD1 ASN 10 -9.902 -7.099 -10.276 1.00 14.31 A ATOM 174 ND2 ASN 10 -9.040 -8.022 -12.134 1.00 33.11 A ATOM 175 HD21 ASN 10 -8.242 -8.118 -12.695 1.00 32.44 A ATOM 176 HD22 ASN 10 -9.899 -8.446 -12.335 1.00 54.14 A ATOM 177 C ASN 10 -6.355 -8.440 -9.558 1.00 12.32 A ATOM 178 O ASN 10 -7.031 -9.450 -9.752 1.00 4.44 A ATOM 179 N ASN 11 -5.030 -8.464 -9.459 1.00 51.41 A ATOM 180 HN ASN 11 -4.547 -7.625 -9.305 1.00 63.10 A ATOM 181 CA ASN 11 -4.277 -9.707 -9.573 1.00 33.42 A ATOM 182 HA ASN 11 -4.936 -10.455 -9.991 1.00 22.34 A ATOM 183 CB ASN 11 -3.082 -9.519 -10.509 1.00 71.41 A ATOM 184 HB1 ASN 11 -2.462 -10.402 -10.473 1.00 61.31 A ATOM 185 HB2 ASN 11 -2.506 -8.666 -10.180 1.00 64.15 A ATOM 186 CG ASN 11 -3.503 -9.287 -11.947 1.00 44.41 A ATOM 187 OD1 ASN 11 -4.255 -10.075 -12.520 1.00 12.02 A ATOM 188 ND2 ASN 11 -3.019 -8.200 -12.537 1.00 5.43 A ATOM 189 HD21 ASN 11 -2.425 -7.617 -12.018 1.00 41.34 A ATOM 190 HD22 ASN 11 -3.276 -8.024 -13.465 1.00 74.40 A ATOM 191 C ASN 11 -3.797 -10.181 -8.204 1.00 75.12 A ATOM 192 O ASN 11 -3.018 -9.500 -7.540 1.00 11.03 A ATOM 193 N ASP 12 -4.269 -11.352 -7.791 1.00 61.20 A ATOM 194 HN ASP 12 -4.889 -11.848 -8.367 1.00 32.32 A ATOM 195 CA ASP 12 -3.888 -11.919 -6.503 1.00 11.44 A ATOM 196 HA ASP 12 -4.242 -11.254 -5.730 1.00 15.03 A ATOM 197 CB ASP 12 -4.534 -13.292 -6.314 1.00 41.42 A ATOM 198 HB1 ASP 12 -3.886 -13.907 -5.707 1.00 65.12 A ATOM 199 HB2 ASP 12 -4.667 -13.757 -7.279 1.00 44.24 A ATOM 200 CG ASP 12 -5.887 -13.206 -5.636 1.00 1.42 A ATOM 201 OD1 ASP 12 -6.880 -13.675 -6.230 1.00 70.23 A ATOM 202 OD2 ASP 12 -5.954 -12.670 -4.509 1.00 43.40 A ATOM 203 C ASP 12 -2.370 -12.037 -6.390 1.00 15.00 A ATOM 204 O ASP 12 -1.825 -12.100 -5.288 1.00 64.41 A ATOM 205 N GLU 13 -1.698 -12.067 -7.535 1.00 22.14 A ATOM 206 HN GLU 13 -2.189 -12.013 -8.381 1.00 44.24 A ATOM 207 CA GLU 13 -0.244 -12.180 -7.564 1.00 32.05 A ATOM 208 HA GLU 13 0.032 -13.060 -7.003 1.00 32.51 A ATOM 209 CB GLU 13 0.250 -12.333 -9.003 1.00 61.25 A ATOM 210 HB1 GLU 13 1.325 -12.442 -8.991 1.00 75.23 A ATOM 211 HB2 GLU 13 -0.006 -11.441 -9.555 1.00 72.53 A ATOM 212 CG GLU 13 -0.343 -13.531 -9.726 1.00 40.14 A ATOM 213 HG1 GLU 13 -1.419 -13.435 -9.732 1.00 62.40 A ATOM 214 HG2 GLU 13 -0.066 -14.429 -9.195 1.00 25.33 A ATOM 215 CD GLU 13 0.141 -13.646 -11.159 1.00 22.23 A ATOM 216 OE1 GLU 13 0.663 -12.643 -11.691 1.00 32.42 A ATOM 217 OE2 GLU 13 0.000 -14.738 -11.747 1.00 64.25 A ATOM 218 C GLU 13 0.409 -10.962 -6.916 1.00 54.40 A ATOM 219 O GLU 13 1.301 -11.093 -6.078 1.00 42.14 A ATOM 220 N LEU 14 -0.042 -9.776 -7.312 1.00 72.52 A ATOM 221 HN LEU 14 -0.755 -9.735 -7.983 1.00 63.32 A ATOM 222 CA LEU 14 0.498 -8.533 -6.773 1.00 35.24 A ATOM 223 HA LEU 14 1.555 -8.510 -6.988 1.00 63.22 A ATOM 224 CB LEU 14 -0.173 -7.331 -7.439 1.00 74.15 A ATOM 225 HB1 LEU 14 -0.204 -6.528 -6.718 1.00 40.31 A ATOM 226 HB2 LEU 14 -1.181 -7.617 -7.700 1.00 60.04 A ATOM 227 CG LEU 14 0.505 -6.800 -8.704 1.00 35.53 A ATOM 228 HG LEU 14 -0.046 -5.944 -9.067 1.00 55.20 A ATOM 229 CD1 LEU 14 1.925 -6.350 -8.401 1.00 13.43 A ATOM 230 HD11 LEU 14 2.591 -7.197 -8.457 1.00 43.41 A ATOM 231 HD12 LEU 14 1.962 -5.928 -7.407 1.00 44.43 A ATOM 232 HD13 LEU 14 2.227 -5.603 -9.119 1.00 61.05 A ATOM 233 CD2 LEU 14 0.502 -7.861 -9.796 1.00 52.23 A ATOM 234 HD21 LEU 14 1.087 -8.710 -9.474 1.00 54.21 A ATOM 235 HD22 LEU 14 0.930 -7.450 -10.698 1.00 42.45 A ATOM 236 HD23 LEU 14 -0.514 -8.175 -9.989 1.00 41.03 A ATOM 237 C LEU 14 0.302 -8.465 -5.262 1.00 62.44 A ATOM 238 O LEU 14 1.100 -7.854 -4.550 1.00 32.35 A ATOM 239 N ILE 15 -0.762 -9.098 -4.779 1.00 23.24 A ATOM 240 HN ILE 15 -1.359 -9.567 -5.396 1.00 71.43 A ATOM 241 CA ILE 15 -1.058 -9.112 -3.352 1.00 32.33 A ATOM 242 HA ILE 15 -1.093 -8.088 -3.009 1.00 65.25 A ATOM 243 CB ILE 15 -2.425 -9.763 -3.069 1.00 23.40 A ATOM 244 HB ILE 15 -2.389 -10.786 -3.410 1.00 72.24 A ATOM 245 CG1 ILE 15 -3.534 -9.023 -3.820 1.00 41.50 A ATOM 246 HG11 ILE 15 -3.260 -8.944 -4.863 1.00 13.14 A ATOM 247 HG12 ILE 15 -3.642 -8.033 -3.404 1.00 43.35 A ATOM 248 CG2 ILE 15 -2.707 -9.774 -1.573 1.00 12.11 A ATOM 249 HG21 ILE 15 -3.759 -9.954 -1.406 1.00 21.40 A ATOM 250 HG22 ILE 15 -2.130 -10.556 -1.104 1.00 21.41 A ATOM 251 HG23 ILE 15 -2.433 -8.820 -1.149 1.00 43.00 A ATOM 252 CD1 ILE 15 -4.880 -9.708 -3.741 1.00 70.10 A ATOM 253 HD11 ILE 15 -5.494 -9.213 -3.003 1.00 12.44 A ATOM 254 HD12 ILE 15 -5.364 -9.662 -4.704 1.00 60.53 A ATOM 255 HD13 ILE 15 -4.740 -10.741 -3.456 1.00 33.53 A ATOM 256 C ILE 15 0.020 -9.859 -2.573 1.00 15.42 A ATOM 257 O ILE 15 0.737 -9.270 -1.765 1.00 11.33 A ATOM 258 N LYS 16 0.127 -11.159 -2.823 1.00 64.22 A ATOM 259 HN LYS 16 -0.474 -11.572 -3.477 1.00 72.04 A ATOM 260 CA LYS 16 1.120 -11.988 -2.148 1.00 55.34 A ATOM 261 HA LYS 16 0.849 -12.047 -1.104 1.00 42.03 A ATOM 262 CB LYS 16 1.127 -13.398 -2.742 1.00 13.13 A ATOM 263 HB1 LYS 16 0.246 -13.923 -2.401 1.00 65.41 A ATOM 264 HB2 LYS 16 2.005 -13.919 -2.392 1.00 62.43 A ATOM 265 CG LYS 16 1.134 -13.418 -4.261 1.00 41.15 A ATOM 266 HG1 LYS 16 1.982 -12.849 -4.616 1.00 21.13 A ATOM 267 HG2 LYS 16 0.220 -12.969 -4.622 1.00 0.41 A ATOM 268 CD LYS 16 1.231 -14.835 -4.799 1.00 72.41 A ATOM 269 HD1 LYS 16 1.922 -15.397 -4.189 1.00 21.04 A ATOM 270 HD2 LYS 16 1.591 -14.801 -5.817 1.00 64.20 A ATOM 271 CE LYS 16 -0.121 -15.532 -4.782 1.00 14.30 A ATOM 272 HE1 LYS 16 -0.669 -15.246 -5.669 1.00 35.32 A ATOM 273 HE2 LYS 16 -0.664 -15.214 -3.905 1.00 52.22 A ATOM 274 NZ LYS 16 0.018 -17.014 -4.756 1.00 4.02 A ATOM 275 HZ1 LYS 16 0.934 -17.294 -5.159 1.00 43.44 A ATOM 276 HZ2 LYS 16 -0.742 -17.455 -5.312 1.00 12.34 A ATOM 277 HZ3 LYS 16 -0.038 -17.361 -3.776 1.00 42.40 A ATOM 278 C LYS 16 2.510 -11.371 -2.261 1.00 22.25 A ATOM 279 O LYS 16 3.300 -11.420 -1.318 1.00 23.05 A ATOM 280 N LYS 17 2.804 -10.790 -3.419 1.00 21.01 A ATOM 281 HN LYS 17 2.131 -10.783 -4.133 1.00 64.24 A ATOM 282 CA LYS 17 4.098 -10.161 -3.654 1.00 43.02 A ATOM 283 HA LYS 17 4.864 -10.897 -3.463 1.00 35.11 A ATOM 284 CB LYS 17 4.204 -9.695 -5.108 1.00 1.10 A ATOM 285 HB1 LYS 17 5.073 -9.060 -5.206 1.00 62.50 A ATOM 286 HB2 LYS 17 3.323 -9.123 -5.355 1.00 31.21 A ATOM 287 CG LYS 17 4.331 -10.834 -6.104 1.00 71.44 A ATOM 288 HG1 LYS 17 3.544 -11.552 -5.918 1.00 41.42 A ATOM 289 HG2 LYS 17 5.291 -11.310 -5.974 1.00 13.15 A ATOM 290 CD LYS 17 4.217 -10.338 -7.535 1.00 72.31 A ATOM 291 HD1 LYS 17 3.485 -9.544 -7.576 1.00 25.21 A ATOM 292 HD2 LYS 17 3.900 -11.155 -8.166 1.00 42.12 A ATOM 293 CE LYS 17 5.547 -9.810 -8.049 1.00 5.13 A ATOM 294 HE1 LYS 17 5.995 -9.194 -7.284 1.00 12.14 A ATOM 295 HE2 LYS 17 5.367 -9.214 -8.930 1.00 2.31 A ATOM 296 NZ LYS 17 6.486 -10.913 -8.393 1.00 64.14 A ATOM 297 HZ1 LYS 17 5.957 -11.790 -8.572 1.00 74.42 A ATOM 298 HZ2 LYS 17 7.150 -11.076 -7.611 1.00 1.55 A ATOM 299 HZ3 LYS 17 7.028 -10.668 -9.247 1.00 34.51 A ATOM 300 C LYS 17 4.307 -8.979 -2.713 1.00 14.44 A ATOM 301 O LYS 17 5.219 -8.986 -1.886 1.00 21.23 A ATOM 302 N ILE 18 3.458 -7.966 -2.846 1.00 11.33 A ATOM 303 HN ILE 18 2.752 -8.019 -3.523 1.00 14.44 A ATOM 304 CA ILE 18 3.549 -6.778 -2.005 1.00 61.24 A ATOM 305 HA ILE 18 4.498 -6.303 -2.203 1.00 3.14 A ATOM 306 CB ILE 18 2.427 -5.773 -2.328 1.00 50.30 A ATOM 307 HB ILE 18 1.478 -6.268 -2.186 1.00 44.42 A ATOM 308 CG1 ILE 18 2.536 -5.304 -3.780 1.00 32.24 A ATOM 309 HG11 ILE 18 2.650 -6.167 -4.421 1.00 41.44 A ATOM 310 HG12 ILE 18 3.400 -4.668 -3.884 1.00 3.32 A ATOM 311 CG2 ILE 18 2.490 -4.587 -1.377 1.00 44.22 A ATOM 312 HG21 ILE 18 3.522 -4.310 -1.213 1.00 34.20 A ATOM 313 HG22 ILE 18 1.958 -3.752 -1.807 1.00 52.14 A ATOM 314 HG23 ILE 18 2.035 -4.856 -0.434 1.00 43.34 A ATOM 315 CD1 ILE 18 1.328 -4.527 -4.256 1.00 60.41 A ATOM 316 HD11 ILE 18 0.511 -4.670 -3.562 1.00 1.31 A ATOM 317 HD12 ILE 18 1.574 -3.478 -4.314 1.00 0.02 A ATOM 318 HD13 ILE 18 1.034 -4.882 -5.233 1.00 22.32 A ATOM 319 C ILE 18 3.477 -7.144 -0.527 1.00 23.22 A ATOM 320 O ILE 18 4.102 -6.499 0.316 1.00 42.40 A ATOM 321 N LYS 19 2.714 -8.186 -0.216 1.00 20.02 A ATOM 322 HN LYS 19 2.240 -8.661 -0.931 1.00 44.23 A ATOM 323 CA LYS 19 2.562 -8.642 1.161 1.00 52.02 A ATOM 324 HA LYS 19 2.021 -7.883 1.704 1.00 5.53 A ATOM 325 CB LYS 19 1.765 -9.948 1.203 1.00 64.13 A ATOM 326 HB1 LYS 19 2.103 -10.534 2.046 1.00 15.22 A ATOM 327 HB2 LYS 19 1.955 -10.500 0.293 1.00 75.30 A ATOM 328 CG LYS 19 0.266 -9.742 1.332 1.00 61.34 A ATOM 329 HG1 LYS 19 -0.157 -9.621 0.345 1.00 73.30 A ATOM 330 HG2 LYS 19 0.083 -8.853 1.916 1.00 41.54 A ATOM 331 CD LYS 19 -0.401 -10.924 2.015 1.00 42.05 A ATOM 332 HD1 LYS 19 -0.018 -11.011 3.021 1.00 23.12 A ATOM 333 HD2 LYS 19 -0.175 -11.824 1.463 1.00 1.40 A ATOM 334 CE LYS 19 -1.911 -10.753 2.075 1.00 41.55 A ATOM 335 HE1 LYS 19 -2.285 -10.616 1.070 1.00 5.14 A ATOM 336 HE2 LYS 19 -2.139 -9.878 2.665 1.00 44.14 A ATOM 337 NZ LYS 19 -2.580 -11.935 2.684 1.00 63.30 A ATOM 338 HZ1 LYS 19 -3.482 -12.123 2.203 1.00 61.03 A ATOM 339 HZ2 LYS 19 -2.768 -11.759 3.691 1.00 34.43 A ATOM 340 HZ3 LYS 19 -1.972 -12.774 2.598 1.00 33.14 A ATOM 341 C LYS 19 3.924 -8.843 1.819 1.00 14.31 A ATOM 342 O LYS 19 4.107 -8.530 2.996 1.00 55.24 A ATOM 343 N LYS 20 4.876 -9.365 1.053 1.00 35.34 A ATOM 344 HN LYS 20 4.668 -9.594 0.123 1.00 61.43 A ATOM 345 CA LYS 20 6.220 -9.605 1.562 1.00 30.54 A ATOM 346 HA LYS 20 6.134 -9.942 2.584 1.00 34.43 A ATOM 347 CB LYS 20 6.913 -10.692 0.736 1.00 11.45 A ATOM 348 HB1 LYS 20 7.827 -10.978 1.236 1.00 63.32 A ATOM 349 HB2 LYS 20 7.155 -10.288 -0.236 1.00 22.24 A ATOM 350 CG LYS 20 6.068 -11.938 0.538 1.00 42.33 A ATOM 351 HG1 LYS 20 6.614 -12.639 -0.075 1.00 62.14 A ATOM 352 HG2 LYS 20 5.149 -11.663 0.043 1.00 60.12 A ATOM 353 CD LYS 20 5.732 -12.600 1.864 1.00 3.14 A ATOM 354 HD1 LYS 20 6.527 -12.401 2.568 1.00 1.52 A ATOM 355 HD2 LYS 20 5.643 -13.665 1.711 1.00 35.25 A ATOM 356 CE LYS 20 4.424 -12.073 2.434 1.00 62.43 A ATOM 357 HE1 LYS 20 3.767 -11.816 1.617 1.00 73.45 A ATOM 358 HE2 LYS 20 4.630 -11.191 3.020 1.00 23.04 A ATOM 359 NZ LYS 20 3.749 -13.082 3.299 1.00 42.22 A ATOM 360 HZ1 LYS 20 3.784 -14.019 2.848 1.00 2.41 A ATOM 361 HZ2 LYS 20 2.754 -12.818 3.445 1.00 3.14 A ATOM 362 HZ3 LYS 20 4.223 -13.135 4.223 1.00 65.24 A ATOM 363 C LYS 20 7.050 -8.325 1.534 1.00 35.11 A ATOM 364 O LYS 20 7.715 -7.986 2.511 1.00 12.14 A ATOM 365 N GLU 21 7.000 -7.618 0.409 1.00 24.22 A ATOM 366 HN GLU 21 6.451 -7.941 -0.335 1.00 51.43 A ATOM 367 CA GLU 21 7.747 -6.375 0.258 1.00 53.23 A ATOM 368 HA GLU 21 8.800 -6.617 0.258 1.00 34.11 A ATOM 369 CB GLU 21 7.394 -5.702 -1.071 1.00 53.24 A ATOM 370 HB1 GLU 21 7.606 -4.646 -0.992 1.00 13.31 A ATOM 371 HB2 GLU 21 6.338 -5.835 -1.258 1.00 44.42 A ATOM 372 CG GLU 21 8.165 -6.256 -2.258 1.00 40.42 A ATOM 373 HG1 GLU 21 7.630 -6.010 -3.163 1.00 52.02 A ATOM 374 HG2 GLU 21 8.229 -7.329 -2.160 1.00 11.11 A ATOM 375 CD GLU 21 9.569 -5.693 -2.355 1.00 32.12 A ATOM 376 OE1 GLU 21 10.450 -6.168 -1.608 1.00 45.13 A ATOM 377 OE2 GLU 21 9.787 -4.779 -3.177 1.00 14.44 A ATOM 378 C GLU 21 7.460 -5.423 1.415 1.00 11.41 A ATOM 379 O GLU 21 8.364 -4.762 1.928 1.00 12.53 A ATOM 380 N VAL 22 6.197 -5.358 1.820 1.00 53.30 A ATOM 381 HN VAL 22 5.521 -5.909 1.373 1.00 50.05 A ATOM 382 CA VAL 22 5.790 -4.487 2.918 1.00 74.54 A ATOM 383 HA VAL 22 6.329 -3.557 2.822 1.00 14.53 A ATOM 384 CB VAL 22 4.281 -4.180 2.860 1.00 55.33 A ATOM 385 HB VAL 22 4.047 -3.478 3.646 1.00 15.44 A ATOM 386 CG1 VAL 22 3.917 -3.541 1.527 1.00 14.21 A ATOM 387 HG11 VAL 22 3.044 -4.030 1.120 1.00 30.40 A ATOM 388 HG12 VAL 22 3.706 -2.492 1.677 1.00 11.03 A ATOM 389 HG13 VAL 22 4.742 -3.648 0.839 1.00 23.21 A ATOM 390 CG2 VAL 22 3.470 -5.445 3.092 1.00 75.45 A ATOM 391 HG21 VAL 22 3.408 -5.643 4.152 1.00 11.33 A ATOM 392 HG22 VAL 22 2.475 -5.315 2.691 1.00 3.35 A ATOM 393 HG23 VAL 22 3.950 -6.277 2.598 1.00 2.12 A ATOM 394 C VAL 22 6.117 -5.115 4.268 1.00 54.22 A ATOM 395 O VAL 22 6.339 -4.411 5.252 1.00 2.12 A ATOM 396 N GLU 23 6.146 -6.443 4.306 1.00 71.42 A ATOM 397 HN GLU 23 5.960 -6.949 3.488 1.00 73.45 A ATOM 398 CA GLU 23 6.447 -7.166 5.536 1.00 13.53 A ATOM 399 HA GLU 23 5.848 -6.738 6.325 1.00 20.24 A ATOM 400 CB GLU 23 6.088 -8.645 5.386 1.00 21.41 A ATOM 401 HB1 GLU 23 6.761 -9.230 5.995 1.00 10.10 A ATOM 402 HB2 GLU 23 6.213 -8.931 4.351 1.00 42.31 A ATOM 403 CG GLU 23 4.663 -8.972 5.803 1.00 10.03 A ATOM 404 HG1 GLU 23 3.993 -8.278 5.319 1.00 14.05 A ATOM 405 HG2 GLU 23 4.582 -8.863 6.873 1.00 1.33 A ATOM 406 CD GLU 23 4.255 -10.383 5.428 1.00 24.35 A ATOM 407 OE1 GLU 23 5.152 -11.239 5.274 1.00 3.30 A ATOM 408 OE2 GLU 23 3.039 -10.633 5.288 1.00 12.53 A ATOM 409 C GLU 23 7.920 -7.023 5.903 1.00 12.04 A ATOM 410 O GLU 23 8.298 -7.172 7.066 1.00 55.14 A ATOM 411 N ASN 24 8.748 -6.734 4.905 1.00 73.04 A ATOM 412 HN ASN 24 8.387 -6.627 4.001 1.00 72.33 A ATOM 413 CA ASN 24 10.181 -6.572 5.123 1.00 33.42 A ATOM 414 HA ASN 24 10.449 -7.140 6.001 1.00 33.51 A ATOM 415 CB ASN 24 10.964 -7.111 3.924 1.00 53.20 A ATOM 416 HB1 ASN 24 12.021 -6.985 4.104 1.00 4.31 A ATOM 417 HB2 ASN 24 10.685 -6.555 3.040 1.00 52.43 A ATOM 418 CG ASN 24 10.692 -8.581 3.668 1.00 52.32 A ATOM 419 OD1 ASN 24 10.121 -9.273 4.511 1.00 71.35 A ATOM 420 ND2 ASN 24 11.101 -9.064 2.502 1.00 51.05 A ATOM 421 HD21 ASN 24 11.550 -8.454 1.879 1.00 50.21 A ATOM 422 HD22 ASN 24 10.938 -10.011 2.309 1.00 23.12 A ATOM 423 C ASN 24 10.534 -5.107 5.357 1.00 3.34 A ATOM 424 O ASN 24 11.692 -4.710 5.235 1.00 54.13 A ATOM 425 N GLN 25 9.527 -4.309 5.697 1.00 2.33 A ATOM 426 HN GLN 25 8.627 -4.684 5.780 1.00 75.42 A ATOM 427 CA GLN 25 9.730 -2.887 5.950 1.00 64.23 A ATOM 428 HA GLN 25 10.790 -2.721 6.072 1.00 30.25 A ATOM 429 CB GLN 25 9.231 -2.060 4.764 1.00 73.21 A ATOM 430 HB1 GLN 25 9.444 -1.018 4.953 1.00 73.22 A ATOM 431 HB2 GLN 25 8.163 -2.190 4.675 1.00 73.51 A ATOM 432 CG GLN 25 9.871 -2.446 3.441 1.00 4.33 A ATOM 433 HG1 GLN 25 9.170 -2.245 2.645 1.00 70.21 A ATOM 434 HG2 GLN 25 10.101 -3.501 3.460 1.00 5.15 A ATOM 435 CD GLN 25 11.150 -1.679 3.166 1.00 51.35 A ATOM 436 OE1 GLN 25 11.173 -0.762 2.345 1.00 11.52 A ATOM 437 NE2 GLN 25 12.223 -2.051 3.854 1.00 2.32 A ATOM 438 HE21 GLN 25 12.131 -2.791 4.490 1.00 52.30 A ATOM 439 HE22 GLN 25 13.063 -1.573 3.695 1.00 51.21 A ATOM 440 C GLN 25 9.016 -2.453 7.226 1.00 13.40 A ATOM 441 O GLN 25 8.935 -1.263 7.529 1.00 74.24 A ATOM 442 N GLY 26 8.498 -3.426 7.970 1.00 51.24 A ATOM 443 HN GLY 26 8.593 -4.357 7.678 1.00 42.21 A ATOM 444 CA GLY 26 7.796 -3.123 9.203 1.00 22.43 A ATOM 445 HA1 GLY 26 8.389 -2.428 9.779 1.00 54.13 A ATOM 446 HA2 GLY 26 7.678 -4.035 9.770 1.00 43.12 A ATOM 447 C GLY 26 6.429 -2.515 8.959 1.00 63.42 A ATOM 448 O GLY 26 6.168 -1.379 9.352 1.00 2.24 A ATOM 449 N TYR 27 5.556 -3.273 8.305 1.00 44.51 A ATOM 450 HN TYR 27 5.822 -4.170 8.015 1.00 61.02 A ATOM 451 CA TYR 27 4.210 -2.800 8.003 1.00 2.14 A ATOM 452 HA TYR 27 3.961 -2.030 8.720 1.00 54.22 A ATOM 453 CB TYR 27 4.159 -2.204 6.595 1.00 34.35 A ATOM 454 HB1 TYR 27 3.137 -2.212 6.247 1.00 75.21 A ATOM 455 HB2 TYR 27 4.764 -2.806 5.935 1.00 2.51 A ATOM 456 CG TYR 27 4.663 -0.781 6.521 1.00 22.22 A ATOM 457 CD1 TYR 27 3.781 0.286 6.409 1.00 32.53 A ATOM 458 HD1 TYR 27 2.719 0.087 6.375 1.00 23.34 A ATOM 459 CD2 TYR 27 6.024 -0.503 6.562 1.00 72.43 A ATOM 460 HD2 TYR 27 6.724 -1.322 6.649 1.00 11.12 A ATOM 461 CE1 TYR 27 4.238 1.587 6.340 1.00 0.44 A ATOM 462 HE1 TYR 27 3.536 2.404 6.255 1.00 70.42 A ATOM 463 CE2 TYR 27 6.490 0.795 6.495 1.00 50.31 A ATOM 464 HE2 TYR 27 7.553 0.991 6.529 1.00 54.14 A ATOM 465 CZ TYR 27 5.594 1.837 6.385 1.00 12.11 A ATOM 466 OH TYR 27 6.053 3.132 6.316 1.00 43.12 A ATOM 467 HH TYR 27 6.322 3.329 5.415 1.00 2.22 A ATOM 468 C TYR 27 3.195 -3.932 8.127 1.00 22.41 A ATOM 469 O TYR 27 3.355 -4.992 7.521 1.00 0.12 A ATOM 470 N GLN 28 2.150 -3.699 8.913 1.00 1.32 A ATOM 471 HN GLN 28 2.078 -2.834 9.369 1.00 22.43 A ATOM 472 CA GLN 28 1.107 -4.699 9.117 1.00 43.41 A ATOM 473 HA GLN 28 1.586 -5.618 9.418 1.00 61.23 A ATOM 474 CB GLN 28 0.149 -4.251 10.221 1.00 50.52 A ATOM 475 HB1 GLN 28 -0.775 -4.801 10.124 1.00 31.34 A ATOM 476 HB2 GLN 28 -0.054 -3.197 10.099 1.00 63.20 A ATOM 477 CG GLN 28 0.692 -4.472 11.623 1.00 23.55 A ATOM 478 HG1 GLN 28 0.873 -5.528 11.762 1.00 34.03 A ATOM 479 HG2 GLN 28 -0.046 -4.138 12.338 1.00 73.10 A ATOM 480 CD GLN 28 1.983 -3.721 11.875 1.00 5.23 A ATOM 481 OE1 GLN 28 1.970 -2.564 12.299 1.00 22.53 A ATOM 482 NE2 GLN 28 3.110 -4.375 11.617 1.00 25.32 A ATOM 483 HE21 GLN 28 3.044 -5.294 11.280 1.00 23.11 A ATOM 484 HE22 GLN 28 3.959 -3.913 11.770 1.00 20.31 A ATOM 485 C GLN 28 0.335 -4.948 7.827 1.00 54.25 A ATOM 486 O GLN 28 0.327 -4.111 6.923 1.00 30.15 A ATOM 487 N VAL 29 -0.317 -6.104 7.745 1.00 24.51 A ATOM 488 HN VAL 29 -0.272 -6.731 8.498 1.00 42.44 A ATOM 489 CA VAL 29 -1.094 -6.464 6.566 1.00 13.14 A ATOM 490 HA VAL 29 -1.153 -5.595 5.927 1.00 5.12 A ATOM 491 CB VAL 29 -0.421 -7.601 5.775 1.00 72.54 A ATOM 492 HB VAL 29 -0.383 -8.478 6.405 1.00 1.30 A ATOM 493 CG1 VAL 29 -1.232 -7.942 4.534 1.00 75.21 A ATOM 494 HG11 VAL 29 -1.454 -7.036 3.990 1.00 51.02 A ATOM 495 HG12 VAL 29 -0.663 -8.611 3.905 1.00 34.34 A ATOM 496 HG13 VAL 29 -2.155 -8.420 4.829 1.00 74.43 A ATOM 497 CG2 VAL 29 1.005 -7.220 5.402 1.00 35.21 A ATOM 498 HG21 VAL 29 1.419 -7.976 4.754 1.00 44.04 A ATOM 499 HG22 VAL 29 1.001 -6.268 4.890 1.00 20.54 A ATOM 500 HG23 VAL 29 1.603 -7.145 6.298 1.00 3.23 A ATOM 501 C VAL 29 -2.506 -6.892 6.949 1.00 63.03 A ATOM 502 O VAL 29 -2.699 -7.911 7.611 1.00 32.12 A ATOM 503 N ARG 30 -3.492 -6.107 6.524 1.00 30.13 A ATOM 504 HN ARG 30 -3.274 -5.308 5.999 1.00 34.42 A ATOM 505 CA ARG 30 -4.888 -6.405 6.824 1.00 43.51 A ATOM 506 HA ARG 30 -4.910 -7.258 7.484 1.00 32.35 A ATOM 507 CB ARG 30 -5.546 -5.215 7.524 1.00 51.11 A ATOM 508 HB1 ARG 30 -6.530 -5.508 7.856 1.00 64.13 A ATOM 509 HB2 ARG 30 -5.639 -4.403 6.819 1.00 2.41 A ATOM 510 CG ARG 30 -4.768 -4.711 8.729 1.00 0.34 A ATOM 511 HG1 ARG 30 -4.067 -3.956 8.402 1.00 11.25 A ATOM 512 HG2 ARG 30 -4.229 -5.537 9.169 1.00 11.05 A ATOM 513 CD ARG 30 -5.691 -4.110 9.777 1.00 75.33 A ATOM 514 HD1 ARG 30 -6.568 -4.735 9.866 1.00 42.10 A ATOM 515 HD2 ARG 30 -5.985 -3.122 9.456 1.00 20.22 A ATOM 516 NE ARG 30 -5.046 -4.011 11.084 1.00 64.22 A ATOM 517 HE ARG 30 -4.184 -4.462 11.198 1.00 22.24 A ATOM 518 CZ ARG 30 -5.562 -3.347 12.111 1.00 12.30 A ATOM 519 NH1 ARG 30 -6.727 -2.726 11.983 1.00 31.44 A ATOM 520 HH11 ARG 30 -7.219 -2.759 11.114 1.00 61.10 A ATOM 521 HH12 ARG 30 -7.116 -2.228 12.759 1.00 52.32 A ATOM 522 NH2 ARG 30 -4.915 -3.302 13.268 1.00 33.22 A ATOM 523 HH21 ARG 30 -4.037 -3.769 13.367 1.00 0.25 A ATOM 524 HH22 ARG 30 -5.304 -2.802 14.040 1.00 14.14 A ATOM 525 C ARG 30 -5.655 -6.747 5.550 1.00 12.42 A ATOM 526 O ARG 30 -5.700 -5.955 4.608 1.00 45.43 A ATOM 527 N ASP 31 -6.257 -7.930 5.528 1.00 74.44 A ATOM 528 HN ASP 31 -6.184 -8.518 6.309 1.00 14.33 A ATOM 529 CA ASP 31 -7.024 -8.378 4.370 1.00 4.52 A ATOM 530 HA ASP 31 -6.549 -7.981 3.486 1.00 31.42 A ATOM 531 CB ASP 31 -7.024 -9.905 4.293 1.00 52.02 A ATOM 532 HB1 ASP 31 -6.020 -10.250 4.101 1.00 22.03 A ATOM 533 HB2 ASP 31 -7.668 -10.217 3.482 1.00 0.12 A ATOM 534 CG ASP 31 -7.518 -10.550 5.572 1.00 51.11 A ATOM 535 OD1 ASP 31 -6.758 -10.560 6.564 1.00 60.50 A ATOM 536 OD2 ASP 31 -8.665 -11.043 5.584 1.00 70.21 A ATOM 537 C ASP 31 -8.456 -7.858 4.434 1.00 14.42 A ATOM 538 O ASP 31 -9.139 -8.013 5.445 1.00 13.31 A ATOM 539 N VAL 32 -8.903 -7.239 3.345 1.00 15.35 A ATOM 540 HN VAL 32 -8.312 -7.146 2.570 1.00 12.03 A ATOM 541 CA VAL 32 -10.255 -6.696 3.277 1.00 42.42 A ATOM 542 HA VAL 32 -10.873 -7.247 3.972 1.00 31.21 A ATOM 543 CB VAL 32 -10.284 -5.209 3.681 1.00 75.31 A ATOM 544 HB VAL 32 -9.716 -4.649 2.953 1.00 43.21 A ATOM 545 CG1 VAL 32 -11.712 -4.683 3.678 1.00 5.21 A ATOM 546 HG11 VAL 32 -12.386 -5.470 3.982 1.00 23.43 A ATOM 547 HG12 VAL 32 -11.790 -3.854 4.367 1.00 62.34 A ATOM 548 HG13 VAL 32 -11.971 -4.351 2.684 1.00 72.05 A ATOM 549 CG2 VAL 32 -9.636 -5.015 5.043 1.00 54.22 A ATOM 550 HG21 VAL 32 -9.915 -5.832 5.693 1.00 43.20 A ATOM 551 HG22 VAL 32 -8.562 -4.992 4.932 1.00 62.32 A ATOM 552 HG23 VAL 32 -9.973 -4.083 5.473 1.00 50.10 A ATOM 553 C VAL 32 -10.835 -6.842 1.876 1.00 54.02 A ATOM 554 O VAL 32 -10.306 -6.289 0.912 1.00 1.30 A ATOM 555 N ASN 33 -11.928 -7.591 1.768 1.00 71.11 A ATOM 556 HN ASN 33 -12.305 -8.006 2.572 1.00 22.41 A ATOM 557 CA ASN 33 -12.583 -7.811 0.483 1.00 45.43 A ATOM 558 HA ASN 33 -12.204 -7.076 -0.210 1.00 41.53 A ATOM 559 CB ASN 33 -12.257 -9.209 -0.046 1.00 43.23 A ATOM 560 HB1 ASN 33 -11.366 -9.159 -0.655 1.00 11.14 A ATOM 561 HB2 ASN 33 -13.081 -9.560 -0.649 1.00 11.30 A ATOM 562 CG ASN 33 -12.021 -10.209 1.069 1.00 14.22 A ATOM 563 OD1 ASN 33 -12.966 -10.729 1.662 1.00 51.44 A ATOM 564 ND2 ASN 33 -10.755 -10.482 1.361 1.00 71.52 A ATOM 565 HD21 ASN 33 -10.053 -10.030 0.848 1.00 32.42 A ATOM 566 HD22 ASN 33 -10.574 -11.126 2.078 1.00 33.04 A ATOM 567 C ASN 33 -14.094 -7.640 0.605 1.00 62.32 A ATOM 568 O ASN 33 -14.838 -7.933 -0.329 1.00 52.44 A ATOM 569 N ASP 34 -14.537 -7.165 1.764 1.00 73.31 A ATOM 570 HN ASP 34 -13.894 -6.951 2.470 1.00 14.24 A ATOM 571 CA ASP 34 -15.960 -6.954 2.008 1.00 34.04 A ATOM 572 HA ASP 34 -16.434 -6.760 1.059 1.00 41.25 A ATOM 573 CB ASP 34 -16.584 -8.205 2.629 1.00 13.00 A ATOM 574 HB1 ASP 34 -16.389 -8.208 3.691 1.00 10.42 A ATOM 575 HB2 ASP 34 -16.137 -9.082 2.182 1.00 45.43 A ATOM 576 CG ASP 34 -18.083 -8.271 2.415 1.00 42.32 A ATOM 577 OD1 ASP 34 -18.831 -8.097 3.400 1.00 23.21 A ATOM 578 OD2 ASP 34 -18.509 -8.495 1.264 1.00 44.34 A ATOM 579 C ASP 34 -16.181 -5.753 2.922 1.00 70.05 A ATOM 580 O ASP 34 -15.343 -5.440 3.767 1.00 0.10 A ATOM 581 N SER 35 -17.317 -5.084 2.746 1.00 42.51 A ATOM 582 HN SER 35 -17.945 -5.382 2.056 1.00 21.40 A ATOM 583 CA SER 35 -17.646 -3.914 3.553 1.00 43.35 A ATOM 584 HA SER 35 -16.924 -3.143 3.328 1.00 3.44 A ATOM 585 CB SER 35 -19.044 -3.404 3.200 1.00 15.34 A ATOM 586 HB1 SER 35 -19.409 -2.776 4.001 1.00 4.41 A ATOM 587 HB2 SER 35 -19.710 -4.244 3.072 1.00 24.05 A ATOM 588 OG SER 35 -19.025 -2.650 2.001 1.00 54.42 A ATOM 589 HG SER 35 -18.424 -1.908 2.098 1.00 0.33 A ATOM 590 C SER 35 -17.572 -4.240 5.040 1.00 61.41 A ATOM 591 O SER 35 -17.055 -3.454 5.835 1.00 24.11 A ATOM 592 N ASP 36 -18.090 -5.406 5.411 1.00 50.11 A ATOM 593 HN ASP 36 -18.488 -5.989 4.730 1.00 64.50 A ATOM 594 CA ASP 36 -18.082 -5.839 6.803 1.00 0.25 A ATOM 595 HA ASP 36 -18.700 -5.156 7.367 1.00 71.14 A ATOM 596 CB ASP 36 -18.662 -7.249 6.925 1.00 74.13 A ATOM 597 HB1 ASP 36 -18.246 -7.728 7.798 1.00 1.00 A ATOM 598 HB2 ASP 36 -18.394 -7.818 6.046 1.00 21.11 A ATOM 599 CG ASP 36 -20.172 -7.245 7.050 1.00 72.40 A ATOM 600 OD1 ASP 36 -20.784 -6.181 6.822 1.00 14.33 A ATOM 601 OD2 ASP 36 -20.743 -8.307 7.377 1.00 65.34 A ATOM 602 C ASP 36 -16.668 -5.806 7.375 1.00 42.34 A ATOM 603 O ASP 36 -16.474 -5.539 8.559 1.00 23.21 A ATOM 604 N GLU 37 -15.684 -6.079 6.522 1.00 34.40 A ATOM 605 HN GLU 37 -15.904 -6.284 5.589 1.00 63.30 A ATOM 606 CA GLU 37 -14.290 -6.083 6.944 1.00 45.54 A ATOM 607 HA GLU 37 -14.250 -6.454 7.957 1.00 2.14 A ATOM 608 CB GLU 37 -13.463 -7.004 6.044 1.00 61.34 A ATOM 609 HB1 GLU 37 -12.415 -6.850 6.256 1.00 52.23 A ATOM 610 HB2 GLU 37 -13.655 -6.746 5.012 1.00 23.13 A ATOM 611 CG GLU 37 -13.776 -8.479 6.234 1.00 72.22 A ATOM 612 HG1 GLU 37 -14.845 -8.619 6.168 1.00 12.11 A ATOM 613 HG2 GLU 37 -13.433 -8.784 7.210 1.00 31.21 A ATOM 614 CD GLU 37 -13.109 -9.355 5.191 1.00 64.34 A ATOM 615 OE1 GLU 37 -13.232 -9.044 3.988 1.00 12.35 A ATOM 616 OE2 GLU 37 -12.463 -10.352 5.578 1.00 14.25 A ATOM 617 C GLU 37 -13.709 -4.672 6.915 1.00 11.52 A ATOM 618 O GLU 37 -12.917 -4.296 7.779 1.00 0.44 A ATOM 619 N LEU 38 -14.107 -3.895 5.913 1.00 11.00 A ATOM 620 HN LEU 38 -14.739 -4.250 5.255 1.00 75.15 A ATOM 621 CA LEU 38 -13.628 -2.525 5.770 1.00 10.11 A ATOM 622 HA LEU 38 -12.549 -2.549 5.788 1.00 44.43 A ATOM 623 CB LEU 38 -14.091 -1.939 4.434 1.00 1.01 A ATOM 624 HB1 LEU 38 -15.053 -2.372 4.200 1.00 53.30 A ATOM 625 HB2 LEU 38 -13.375 -2.229 3.681 1.00 14.41 A ATOM 626 CG LEU 38 -14.235 -0.418 4.383 1.00 51.51 A ATOM 627 HG LEU 38 -13.524 0.028 5.066 1.00 4.34 A ATOM 628 CD1 LEU 38 -13.931 0.101 2.986 1.00 72.42 A ATOM 629 HD11 LEU 38 -13.402 1.039 3.057 1.00 1.20 A ATOM 630 HD12 LEU 38 -14.856 0.248 2.447 1.00 22.25 A ATOM 631 HD13 LEU 38 -13.319 -0.619 2.460 1.00 1.53 A ATOM 632 CD2 LEU 38 -15.632 0.001 4.818 1.00 75.34 A ATOM 633 HD21 LEU 38 -15.614 0.294 5.857 1.00 65.11 A ATOM 634 HD22 LEU 38 -16.311 -0.829 4.690 1.00 33.42 A ATOM 635 HD23 LEU 38 -15.963 0.833 4.213 1.00 5.12 A ATOM 636 C LEU 38 -14.120 -1.652 6.920 1.00 54.22 A ATOM 637 O LEU 38 -13.399 -0.777 7.401 1.00 35.45 A ATOM 638 N LYS 39 -15.351 -1.896 7.356 1.00 35.11 A ATOM 639 HN LYS 39 -15.877 -2.607 6.931 1.00 41.41 A ATOM 640 CA LYS 39 -15.940 -1.135 8.451 1.00 74.43 A ATOM 641 HA LYS 39 -15.648 -0.103 8.332 1.00 14.05 A ATOM 642 CB LYS 39 -17.466 -1.230 8.402 1.00 71.30 A ATOM 643 HB1 LYS 39 -17.878 -0.630 9.201 1.00 43.25 A ATOM 644 HB2 LYS 39 -17.756 -2.260 8.553 1.00 42.14 A ATOM 645 CG LYS 39 -18.064 -0.752 7.090 1.00 64.31 A ATOM 646 HG1 LYS 39 -17.529 -1.214 6.272 1.00 62.10 A ATOM 647 HG2 LYS 39 -17.962 0.321 7.029 1.00 21.01 A ATOM 648 CD LYS 39 -19.537 -1.113 6.984 1.00 23.23 A ATOM 649 HD1 LYS 39 -19.688 -2.099 7.399 1.00 23.43 A ATOM 650 HD2 LYS 39 -19.825 -1.112 5.943 1.00 25.14 A ATOM 651 CE LYS 39 -20.409 -0.120 7.736 1.00 21.30 A ATOM 652 HE1 LYS 39 -20.000 0.870 7.603 1.00 4.53 A ATOM 653 HE2 LYS 39 -20.401 -0.376 8.784 1.00 34.04 A ATOM 654 NZ LYS 39 -21.814 -0.134 7.244 1.00 52.34 A ATOM 655 HZ1 LYS 39 -22.424 0.405 7.891 1.00 54.51 A ATOM 656 HZ2 LYS 39 -22.165 -1.111 7.189 1.00 35.33 A ATOM 657 HZ3 LYS 39 -21.866 0.295 6.298 1.00 62.13 A ATOM 658 C LYS 39 -15.431 -1.639 9.799 1.00 71.12 A ATOM 659 O LYS 39 -15.257 -0.862 10.738 1.00 64.41 A ATOM 660 N LYS 40 -15.196 -2.944 9.886 1.00 44.45 A ATOM 661 HN LYS 40 -15.354 -3.512 9.102 1.00 3.22 A ATOM 662 CA LYS 40 -14.704 -3.552 11.117 1.00 14.44 A ATOM 663 HA LYS 40 -15.314 -3.191 11.931 1.00 41.41 A ATOM 664 CB LYS 40 -14.825 -5.075 11.041 1.00 75.24 A ATOM 665 HB1 LYS 40 -14.040 -5.517 11.639 1.00 54.24 A ATOM 666 HB2 LYS 40 -14.700 -5.384 10.014 1.00 1.40 A ATOM 667 CG LYS 40 -16.159 -5.605 11.540 1.00 23.05 A ATOM 668 HG1 LYS 40 -16.399 -6.510 11.000 1.00 33.25 A ATOM 669 HG2 LYS 40 -16.921 -4.862 11.360 1.00 74.20 A ATOM 670 CD LYS 40 -16.114 -5.913 13.027 1.00 71.02 A ATOM 671 HD1 LYS 40 -17.098 -5.753 13.448 1.00 42.14 A ATOM 672 HD2 LYS 40 -15.405 -5.252 13.502 1.00 11.51 A ATOM 673 CE LYS 40 -15.694 -7.352 13.287 1.00 14.50 A ATOM 674 HE1 LYS 40 -14.623 -7.425 13.171 1.00 30.54 A ATOM 675 HE2 LYS 40 -16.177 -7.990 12.563 1.00 33.11 A ATOM 676 NZ LYS 40 -16.067 -7.800 14.656 1.00 23.20 A ATOM 677 HZ1 LYS 40 -16.581 -8.704 14.608 1.00 2.23 A ATOM 678 HZ2 LYS 40 -16.677 -7.092 15.111 1.00 14.41 A ATOM 679 HZ3 LYS 40 -15.213 -7.929 15.236 1.00 3.22 A ATOM 680 C LYS 40 -13.254 -3.159 11.377 1.00 4.41 A ATOM 681 O LYS 40 -12.885 -2.821 12.501 1.00 1.23 A ATOM 682 N GLU 41 -12.436 -3.204 10.329 1.00 73.24 A ATOM 683 HN GLU 41 -12.790 -3.482 9.459 1.00 44.43 A ATOM 684 CA GLU 41 -11.026 -2.852 10.445 1.00 11.11 A ATOM 685 HA GLU 41 -10.616 -3.397 11.282 1.00 12.51 A ATOM 686 CB GLU 41 -10.271 -3.251 9.175 1.00 13.22 A ATOM 687 HB1 GLU 41 -10.568 -4.250 8.895 1.00 74.31 A ATOM 688 HB2 GLU 41 -9.212 -3.246 9.384 1.00 44.41 A ATOM 689 CG GLU 41 -10.530 -2.327 7.997 1.00 12.12 A ATOM 690 HG1 GLU 41 -11.530 -1.926 8.085 1.00 74.31 A ATOM 691 HG2 GLU 41 -10.452 -2.898 7.085 1.00 4.41 A ATOM 692 CD GLU 41 -9.550 -1.173 7.933 1.00 3.24 A ATOM 693 OE1 GLU 41 -8.741 -1.029 8.875 1.00 75.53 A ATOM 694 OE2 GLU 41 -9.589 -0.413 6.944 1.00 21.13 A ATOM 695 C GLU 41 -10.857 -1.357 10.701 1.00 11.03 A ATOM 696 O GLU 41 -9.923 -0.934 11.381 1.00 71.42 A ATOM 697 N MET 42 -11.770 -0.562 10.152 1.00 75.23 A ATOM 698 HN MET 42 -12.492 -0.958 9.620 1.00 2.03 A ATOM 699 CA MET 42 -11.723 0.885 10.322 1.00 10.50 A ATOM 700 HA MET 42 -10.745 1.224 10.014 1.00 71.42 A ATOM 701 CB MET 42 -12.782 1.557 9.444 1.00 1.35 A ATOM 702 HB1 MET 42 -13.112 2.464 9.928 1.00 34.22 A ATOM 703 HB2 MET 42 -13.623 0.888 9.338 1.00 4.05 A ATOM 704 CG MET 42 -12.280 1.916 8.055 1.00 13.22 A ATOM 705 HG1 MET 42 -13.132 2.074 7.409 1.00 10.42 A ATOM 706 HG2 MET 42 -11.692 1.094 7.675 1.00 0.24 A ATOM 707 SD MET 42 -11.263 3.405 8.046 1.00 14.10 A ATOM 708 CE MET 42 -9.920 2.892 6.978 1.00 54.02 A ATOM 709 HE1 MET 42 -8.976 3.079 7.470 1.00 53.35 A ATOM 710 HE2 MET 42 -10.013 1.837 6.766 1.00 3.25 A ATOM 711 HE3 MET 42 -9.962 3.451 6.054 1.00 31.10 A ATOM 712 C MET 42 -11.940 1.269 11.782 1.00 42.25 A ATOM 713 O MET 42 -11.263 2.152 12.309 1.00 51.43 A ATOM 714 N LYS 43 -12.886 0.600 12.431 1.00 43.34 A ATOM 715 HN LYS 43 -13.393 -0.093 11.957 1.00 3.12 A ATOM 716 CA LYS 43 -13.192 0.870 13.832 1.00 64.12 A ATOM 717 HA LYS 43 -13.500 1.901 13.912 1.00 42.45 A ATOM 718 CB LYS 43 -14.334 -0.030 14.309 1.00 40.13 A ATOM 719 HB1 LYS 43 -14.335 -0.047 15.389 1.00 33.22 A ATOM 720 HB2 LYS 43 -14.165 -1.031 13.941 1.00 64.43 A ATOM 721 CG LYS 43 -15.704 0.426 13.838 1.00 73.43 A ATOM 722 HG1 LYS 43 -15.627 0.773 12.816 1.00 20.31 A ATOM 723 HG2 LYS 43 -16.041 1.233 14.470 1.00 51.53 A ATOM 724 CD LYS 43 -16.718 -0.704 13.899 1.00 0.35 A ATOM 725 HD1 LYS 43 -16.724 -1.116 14.899 1.00 73.14 A ATOM 726 HD2 LYS 43 -16.434 -1.470 13.194 1.00 72.31 A ATOM 727 CE LYS 43 -18.117 -0.215 13.556 1.00 31.22 A ATOM 728 HE1 LYS 43 -18.040 0.579 12.829 1.00 22.31 A ATOM 729 HE2 LYS 43 -18.581 0.164 14.454 1.00 13.35 A ATOM 730 NZ LYS 43 -18.964 -1.305 12.996 1.00 5.11 A ATOM 731 HZ1 LYS 43 -19.970 -1.093 13.155 1.00 34.12 A ATOM 732 HZ2 LYS 43 -18.734 -2.208 13.457 1.00 33.32 A ATOM 733 HZ3 LYS 43 -18.797 -1.397 11.974 1.00 70.51 A ATOM 734 C LYS 43 -11.962 0.655 14.707 1.00 45.03 A ATOM 735 O LYS 43 -11.761 1.358 15.697 1.00 13.14 A ATOM 736 N LYS 44 -11.139 -0.320 14.335 1.00 41.14 A ATOM 737 HN LYS 44 -11.351 -0.846 13.535 1.00 34.11 A ATOM 738 CA LYS 44 -9.926 -0.626 15.085 1.00 33.21 A ATOM 739 HA LYS 44 -10.210 -0.830 16.107 1.00 51.35 A ATOM 740 CB LYS 44 -9.241 -1.864 14.502 1.00 21.12 A ATOM 741 HB1 LYS 44 -8.357 -2.080 15.085 1.00 55.11 A ATOM 742 HB2 LYS 44 -8.947 -1.652 13.485 1.00 64.32 A ATOM 743 CG LYS 44 -10.122 -3.101 14.495 1.00 31.24 A ATOM 744 HG1 LYS 44 -9.668 -3.851 13.864 1.00 74.45 A ATOM 745 HG2 LYS 44 -11.094 -2.838 14.107 1.00 72.04 A ATOM 746 CD LYS 44 -10.290 -3.672 15.893 1.00 14.24 A ATOM 747 HD1 LYS 44 -11.223 -4.216 15.941 1.00 60.40 A ATOM 748 HD2 LYS 44 -10.311 -2.859 16.605 1.00 73.53 A ATOM 749 CE LYS 44 -9.150 -4.612 16.255 1.00 52.23 A ATOM 750 HE1 LYS 44 -9.007 -4.588 17.325 1.00 73.22 A ATOM 751 HE2 LYS 44 -8.252 -4.272 15.762 1.00 4.44 A ATOM 752 NZ LYS 44 -9.432 -6.012 15.834 1.00 31.31 A ATOM 753 HZ1 LYS 44 -9.937 -6.017 14.924 1.00 30.22 A ATOM 754 HZ2 LYS 44 -10.023 -6.487 16.546 1.00 30.45 A ATOM 755 HZ3 LYS 44 -8.543 -6.540 15.727 1.00 13.14 A ATOM 756 C LYS 44 -8.963 0.556 15.069 1.00 51.45 A ATOM 757 O LYS 44 -8.319 0.861 16.073 1.00 33.12 A ATOM 758 N LEU 45 -8.868 1.221 13.921 1.00 63.51 A ATOM 759 HN LEU 45 -9.405 0.931 13.155 1.00 23.15 A ATOM 760 CA LEU 45 -7.985 2.372 13.774 1.00 63.30 A ATOM 761 HA LEU 45 -6.979 2.047 13.995 1.00 64.22 A ATOM 762 CB LEU 45 -8.036 2.899 12.339 1.00 10.10 A ATOM 763 HB1 LEU 45 -7.200 3.570 12.204 1.00 3.42 A ATOM 764 HB2 LEU 45 -8.957 3.448 12.221 1.00 23.23 A ATOM 765 CG LEU 45 -7.975 1.844 11.235 1.00 44.44 A ATOM 766 HG LEU 45 -8.845 1.206 11.306 1.00 4.10 A ATOM 767 CD1 LEU 45 -7.989 2.505 9.864 1.00 53.10 A ATOM 768 HD11 LEU 45 -8.986 2.855 9.645 1.00 65.43 A ATOM 769 HD12 LEU 45 -7.684 1.788 9.116 1.00 13.54 A ATOM 770 HD13 LEU 45 -7.305 3.341 9.861 1.00 10.03 A ATOM 771 CD2 LEU 45 -6.736 0.974 11.396 1.00 45.42 A ATOM 772 HD21 LEU 45 -5.999 1.503 11.982 1.00 4.03 A ATOM 773 HD22 LEU 45 -6.325 0.748 10.421 1.00 35.01 A ATOM 774 HD23 LEU 45 -7.005 0.056 11.896 1.00 44.13 A ATOM 775 C LEU 45 -8.367 3.480 14.749 1.00 15.23 A ATOM 776 O LEU 45 -7.505 4.096 15.376 1.00 65.44 A ATOM 777 N ALA 46 -9.667 3.728 14.876 1.00 31.43 A ATOM 778 HN ALA 46 -10.306 3.203 14.351 1.00 44.31 A ATOM 779 CA ALA 46 -10.164 4.759 15.778 1.00 74.33 A ATOM 780 HA ALA 46 -9.521 5.622 15.684 1.00 40.50 A ATOM 781 CB ALA 46 -11.574 5.173 15.380 1.00 24.35 A ATOM 782 HB1 ALA 46 -12.282 4.461 15.778 1.00 75.44 A ATOM 783 HB2 ALA 46 -11.786 6.153 15.780 1.00 52.51 A ATOM 784 HB3 ALA 46 -11.652 5.196 14.304 1.00 45.31 A ATOM 785 C ALA 46 -10.139 4.280 17.226 1.00 20.32 A ATOM 786 O ALA 46 -10.107 5.086 18.154 1.00 31.22 A ATOM 787 N GLU 47 -10.157 2.963 17.410 1.00 40.15 A ATOM 788 HN GLU 47 -10.183 2.372 16.628 1.00 72.33 A ATOM 789 CA GLU 47 -10.138 2.378 18.744 1.00 13.21 A ATOM 790 HA GLU 47 -10.735 3.005 19.389 1.00 2.42 A ATOM 791 CB GLU 47 -10.744 0.973 18.718 1.00 11.33 A ATOM 792 HB1 GLU 47 -10.317 0.396 19.526 1.00 32.01 A ATOM 793 HB2 GLU 47 -10.492 0.503 17.779 1.00 25.02 A ATOM 794 CG GLU 47 -12.255 0.960 18.870 1.00 21.52 A ATOM 795 HG1 GLU 47 -12.704 1.064 17.893 1.00 10.41 A ATOM 796 HG2 GLU 47 -12.550 1.792 19.492 1.00 12.40 A ATOM 797 CD GLU 47 -12.767 -0.320 19.503 1.00 21.13 A ATOM 798 OE1 GLU 47 -13.801 -0.264 20.201 1.00 12.12 A ATOM 799 OE2 GLU 47 -12.133 -1.377 19.302 1.00 12.24 A ATOM 800 C GLU 47 -8.716 2.320 19.294 1.00 44.50 A ATOM 801 O GLU 47 -8.507 2.330 20.506 1.00 61.34 A ATOM 802 N GLU 48 -7.741 2.260 18.390 1.00 13.34 A ATOM 803 HN GLU 48 -7.970 2.256 17.439 1.00 52.11 A ATOM 804 CA GLU 48 -6.338 2.199 18.785 1.00 3.54 A ATOM 805 HA GLU 48 -6.290 1.782 19.779 1.00 53.12 A ATOM 806 CB GLU 48 -5.556 1.296 17.829 1.00 52.43 A ATOM 807 HB1 GLU 48 -4.522 1.610 17.822 1.00 42.32 A ATOM 808 HB2 GLU 48 -5.963 1.407 16.834 1.00 22.22 A ATOM 809 CG GLU 48 -5.604 -0.175 18.206 1.00 41.04 A ATOM 810 HG1 GLU 48 -5.396 -0.765 17.325 1.00 75.45 A ATOM 811 HG2 GLU 48 -6.595 -0.408 18.567 1.00 61.31 A ATOM 812 CD GLU 48 -4.598 -0.536 19.280 1.00 3.12 A ATOM 813 OE1 GLU 48 -3.466 -0.924 18.927 1.00 62.15 A ATOM 814 OE2 GLU 48 -4.944 -0.431 20.477 1.00 43.44 A ATOM 815 C GLU 48 -5.719 3.594 18.806 1.00 22.33 A ATOM 816 O GLU 48 -5.431 4.142 19.872 1.00 62.22 A ATOM 817 N LYS 49 -5.514 4.162 17.623 1.00 52.40 A ATOM 818 HN LYS 49 -5.764 3.675 16.809 1.00 1.33 A ATOM 819 CA LYS 49 -4.928 5.493 17.505 1.00 72.43 A ATOM 820 HA LYS 49 -4.881 5.741 16.454 1.00 1.44 A ATOM 821 CB LYS 49 -5.803 6.523 18.221 1.00 0.12 A ATOM 822 HB1 LYS 49 -5.585 6.488 19.279 1.00 11.30 A ATOM 823 HB2 LYS 49 -6.841 6.266 18.069 1.00 63.02 A ATOM 824 CG LYS 49 -5.588 7.947 17.738 1.00 75.50 A ATOM 825 HG1 LYS 49 -5.954 8.032 16.724 1.00 71.32 A ATOM 826 HG2 LYS 49 -4.531 8.169 17.759 1.00 61.30 A ATOM 827 CD LYS 49 -6.319 8.950 18.613 1.00 1.25 A ATOM 828 HD1 LYS 49 -5.800 9.897 18.570 1.00 41.42 A ATOM 829 HD2 LYS 49 -6.329 8.588 19.630 1.00 42.41 A ATOM 830 CE LYS 49 -7.755 9.151 18.151 1.00 0.34 A ATOM 831 HE1 LYS 49 -8.309 9.632 18.942 1.00 0.52 A ATOM 832 HE2 LYS 49 -8.191 8.186 17.942 1.00 5.40 A ATOM 833 NZ LYS 49 -7.829 9.993 16.925 1.00 51.45 A ATOM 834 HZ1 LYS 49 -6.886 10.362 16.686 1.00 11.25 A ATOM 835 HZ2 LYS 49 -8.473 10.795 17.081 1.00 61.04 A ATOM 836 HZ3 LYS 49 -8.181 9.430 16.125 1.00 55.03 A ATOM 837 C LYS 49 -3.516 5.520 18.081 1.00 71.42 A ATOM 838 O LYS 49 -3.197 6.356 18.924 1.00 1.11 A ATOM 839 N ASN 50 -2.676 4.600 17.617 1.00 25.25 A ATOM 840 HN ASN 50 -2.990 3.960 16.945 1.00 25.52 A ATOM 841 CA ASN 50 -1.298 4.519 18.087 1.00 50.33 A ATOM 842 HA ASN 50 -1.163 5.272 18.849 1.00 60.03 A ATOM 843 CB ASN 50 -1.022 3.142 18.694 1.00 74.14 A ATOM 844 HB1 ASN 50 -0.676 2.476 17.919 1.00 30.40 A ATOM 845 HB2 ASN 50 -1.938 2.752 19.116 1.00 4.34 A ATOM 846 CG ASN 50 0.026 3.191 19.788 1.00 13.15 A ATOM 847 OD1 ASN 50 1.052 2.517 19.710 1.00 1.33 A ATOM 848 ND2 ASN 50 -0.230 3.991 20.817 1.00 55.11 A ATOM 849 HD21 ASN 50 -1.070 4.498 20.812 1.00 74.10 A ATOM 850 HD22 ASN 50 0.430 4.043 21.540 1.00 75.44 A ATOM 851 C ASN 50 -0.319 4.790 16.948 1.00 12.01 A ATOM 852 O ASN 50 -0.723 4.992 15.803 1.00 50.03 A ATOM 853 N PHE 51 0.970 4.792 17.271 1.00 32.02 A ATOM 854 HN PHE 51 1.231 4.624 18.203 1.00 54.54 A ATOM 855 CA PHE 51 2.007 5.038 16.276 1.00 0.11 A ATOM 856 HA PHE 51 1.615 5.737 15.555 1.00 35.13 A ATOM 857 CB PHE 51 3.244 5.649 16.939 1.00 20.41 A ATOM 858 HB1 PHE 51 4.082 5.571 16.261 1.00 70.12 A ATOM 859 HB2 PHE 51 3.467 5.103 17.843 1.00 70.44 A ATOM 860 CG PHE 51 3.076 7.096 17.303 1.00 32.11 A ATOM 861 CD1 PHE 51 2.929 8.060 16.320 1.00 64.23 A ATOM 862 HD1 PHE 51 2.937 7.762 15.280 1.00 74.44 A ATOM 863 CD2 PHE 51 3.065 7.492 18.631 1.00 53.43 A ATOM 864 HD2 PHE 51 3.179 6.750 19.407 1.00 75.22 A ATOM 865 CE1 PHE 51 2.775 9.392 16.651 1.00 0.41 A ATOM 866 HE1 PHE 51 2.663 10.133 15.874 1.00 55.44 A ATOM 867 CE2 PHE 51 2.909 8.823 18.970 1.00 3.31 A ATOM 868 HE2 PHE 51 2.903 9.120 20.008 1.00 31.45 A ATOM 869 CZ PHE 51 2.765 9.775 17.979 1.00 20.42 A ATOM 870 HZ PHE 51 2.643 10.815 18.241 1.00 1.01 A ATOM 871 C PHE 51 2.388 3.748 15.556 1.00 74.44 A ATOM 872 O PHE 51 3.552 3.354 15.540 1.00 62.22 A ATOM 873 N GLU 52 1.393 3.095 14.961 1.00 31.51 A ATOM 874 HN GLU 52 0.486 3.459 15.009 1.00 54.11 A ATOM 875 CA GLU 52 1.623 1.848 14.240 1.00 25.13 A ATOM 876 HA GLU 52 2.683 1.648 14.255 1.00 61.52 A ATOM 877 CB GLU 52 0.890 0.693 14.928 1.00 12.50 A ATOM 878 HB1 GLU 52 0.616 -0.037 14.181 1.00 30.45 A ATOM 879 HB2 GLU 52 -0.008 1.077 15.389 1.00 73.44 A ATOM 880 CG GLU 52 1.717 -0.003 15.995 1.00 54.31 A ATOM 881 HG1 GLU 52 2.757 0.024 15.703 1.00 51.20 A ATOM 882 HG2 GLU 52 1.393 -1.030 16.072 1.00 40.30 A ATOM 883 CD GLU 52 1.580 0.650 17.358 1.00 55.03 A ATOM 884 OE1 GLU 52 2.544 1.313 17.797 1.00 73.12 A ATOM 885 OE2 GLU 52 0.510 0.498 17.983 1.00 2.22 A ATOM 886 C GLU 52 1.163 1.966 12.790 1.00 72.51 A ATOM 887 O GLU 52 0.123 2.558 12.502 1.00 35.11 A ATOM 888 N LYS 53 1.946 1.397 11.880 1.00 0.34 A ATOM 889 HN LYS 53 2.764 0.939 12.171 1.00 52.24 A ATOM 890 CA LYS 53 1.622 1.436 10.459 1.00 3.45 A ATOM 891 HA LYS 53 1.074 2.346 10.268 1.00 14.35 A ATOM 892 CB LYS 53 2.903 1.443 9.622 1.00 25.05 A ATOM 893 HB1 LYS 53 2.708 0.947 8.683 1.00 54.25 A ATOM 894 HB2 LYS 53 3.669 0.898 10.153 1.00 23.22 A ATOM 895 CG LYS 53 3.429 2.837 9.325 1.00 71.24 A ATOM 896 HG1 LYS 53 2.677 3.385 8.774 1.00 61.43 A ATOM 897 HG2 LYS 53 4.325 2.754 8.730 1.00 44.42 A ATOM 898 CD LYS 53 3.752 3.594 10.601 1.00 4.13 A ATOM 899 HD1 LYS 53 2.889 3.577 11.249 1.00 35.14 A ATOM 900 HD2 LYS 53 3.998 4.616 10.352 1.00 73.14 A ATOM 901 CE LYS 53 4.932 2.972 11.335 1.00 53.44 A ATOM 902 HE1 LYS 53 5.787 2.966 10.674 1.00 71.02 A ATOM 903 HE2 LYS 53 4.678 1.959 11.604 1.00 74.32 A ATOM 904 NZ LYS 53 5.280 3.729 12.569 1.00 4.21 A ATOM 905 HZ1 LYS 53 5.310 3.086 13.386 1.00 70.43 A ATOM 906 HZ2 LYS 53 4.569 4.465 12.748 1.00 14.53 A ATOM 907 HZ3 LYS 53 6.210 4.180 12.462 1.00 41.43 A ATOM 908 C LYS 53 0.752 0.246 10.066 1.00 4.52 A ATOM 909 O LYS 53 1.087 -0.902 10.358 1.00 55.02 A ATOM 910 N ILE 54 -0.365 0.529 9.404 1.00 21.41 A ATOM 911 HN ILE 54 -0.577 1.463 9.200 1.00 13.23 A ATOM 912 CA ILE 54 -1.280 -0.519 8.970 1.00 24.20 A ATOM 913 HA ILE 54 -0.828 -1.473 9.200 1.00 62.15 A ATOM 914 CB ILE 54 -2.627 -0.431 9.710 1.00 71.55 A ATOM 915 HB ILE 54 -3.093 0.508 9.454 1.00 12.44 A ATOM 916 CG1 ILE 54 -2.407 -0.486 11.223 1.00 60.43 A ATOM 917 HG11 ILE 54 -3.365 -0.425 11.720 1.00 10.04 A ATOM 918 HG12 ILE 54 -1.796 0.351 11.523 1.00 35.20 A ATOM 919 CG2 ILE 54 -3.551 -1.554 9.262 1.00 33.12 A ATOM 920 HG21 ILE 54 -3.971 -1.312 8.297 1.00 42.22 A ATOM 921 HG22 ILE 54 -2.992 -2.474 9.189 1.00 4.13 A ATOM 922 HG23 ILE 54 -4.348 -1.673 9.982 1.00 23.42 A ATOM 923 CD1 ILE 54 -1.720 -1.751 11.688 1.00 74.42 A ATOM 924 HD11 ILE 54 -1.750 -2.489 10.899 1.00 12.31 A ATOM 925 HD12 ILE 54 -0.695 -1.533 11.939 1.00 4.13 A ATOM 926 HD13 ILE 54 -2.231 -2.138 12.559 1.00 3.43 A ATOM 927 C ILE 54 -1.532 -0.442 7.468 1.00 4.51 A ATOM 928 O ILE 54 -1.889 0.613 6.941 1.00 64.00 A ATOM 929 N LEU 55 -1.345 -1.565 6.784 1.00 53.22 A ATOM 930 HN LEU 55 -1.062 -2.373 7.258 1.00 44.13 A ATOM 931 CA LEU 55 -1.554 -1.626 5.341 1.00 13.53 A ATOM 932 HA LEU 55 -1.603 -0.612 4.970 1.00 73.53 A ATOM 933 CB LEU 55 -0.387 -2.348 4.666 1.00 21.40 A ATOM 934 HB1 LEU 55 -0.578 -3.411 4.727 1.00 1.44 A ATOM 935 HB2 LEU 55 0.510 -2.113 5.217 1.00 4.03 A ATOM 936 CG LEU 55 -0.139 -2.000 3.198 1.00 54.40 A ATOM 937 HG LEU 55 -0.417 -0.968 3.028 1.00 4.11 A ATOM 938 CD1 LEU 55 1.333 -2.153 2.854 1.00 50.01 A ATOM 939 HD11 LEU 55 1.478 -1.963 1.802 1.00 24.33 A ATOM 940 HD12 LEU 55 1.655 -3.157 3.088 1.00 62.44 A ATOM 941 HD13 LEU 55 1.913 -1.447 3.431 1.00 34.41 A ATOM 942 CD2 LEU 55 -0.995 -2.872 2.291 1.00 75.50 A ATOM 943 HD21 LEU 55 -0.377 -3.633 1.838 1.00 74.44 A ATOM 944 HD22 LEU 55 -1.439 -2.262 1.518 1.00 54.20 A ATOM 945 HD23 LEU 55 -1.774 -3.341 2.873 1.00 51.21 A ATOM 946 C LEU 55 -2.865 -2.333 5.009 1.00 4.33 A ATOM 947 O LEU 55 -3.165 -3.394 5.559 1.00 52.24 A ATOM 948 N ILE 56 -3.640 -1.739 4.108 1.00 20.12 A ATOM 949 HN ILE 56 -3.346 -0.895 3.707 1.00 75.03 A ATOM 950 CA ILE 56 -4.917 -2.314 3.703 1.00 72.21 A ATOM 951 HA ILE 56 -5.123 -3.155 4.348 1.00 72.21 A ATOM 952 CB ILE 56 -6.065 -1.297 3.848 1.00 23.22 A ATOM 953 HB ILE 56 -5.857 -0.460 3.200 1.00 42.42 A ATOM 954 CG1 ILE 56 -6.155 -0.801 5.293 1.00 61.42 A ATOM 955 HG11 ILE 56 -6.989 -0.119 5.379 1.00 41.51 A ATOM 956 HG12 ILE 56 -5.245 -0.284 5.546 1.00 4.15 A ATOM 957 CG2 ILE 56 -7.382 -1.920 3.412 1.00 55.22 A ATOM 958 HG21 ILE 56 -7.300 -2.996 3.444 1.00 60.23 A ATOM 959 HG22 ILE 56 -8.168 -1.600 4.079 1.00 72.25 A ATOM 960 HG23 ILE 56 -7.613 -1.606 2.405 1.00 34.00 A ATOM 961 CD1 ILE 56 -6.357 -1.911 6.300 1.00 51.01 A ATOM 962 HD11 ILE 56 -6.873 -1.523 7.165 1.00 1.41 A ATOM 963 HD12 ILE 56 -6.941 -2.701 5.854 1.00 32.25 A ATOM 964 HD13 ILE 56 -5.396 -2.302 6.603 1.00 43.44 A ATOM 965 C ILE 56 -4.864 -2.802 2.258 1.00 34.41 A ATOM 966 O ILE 56 -4.479 -2.060 1.355 1.00 63.11 A ATOM 967 N ILE 57 -5.258 -4.054 2.049 1.00 1.02 A ATOM 968 HN ILE 57 -5.556 -4.596 2.809 1.00 12.45 A ATOM 969 CA ILE 57 -5.260 -4.640 0.714 1.00 71.23 A ATOM 970 HA ILE 57 -4.938 -3.881 0.017 1.00 3.40 A ATOM 971 CB ILE 57 -4.285 -5.829 0.620 1.00 23.22 A ATOM 972 HB ILE 57 -4.646 -6.614 1.268 1.00 74.04 A ATOM 973 CG1 ILE 57 -2.888 -5.408 1.079 1.00 23.32 A ATOM 974 HG11 ILE 57 -2.955 -4.983 2.069 1.00 1.22 A ATOM 975 HG12 ILE 57 -2.501 -4.666 0.399 1.00 13.42 A ATOM 976 CG2 ILE 57 -4.242 -6.369 -0.802 1.00 11.53 A ATOM 977 HG21 ILE 57 -5.217 -6.745 -1.072 1.00 73.11 A ATOM 978 HG22 ILE 57 -3.962 -5.575 -1.479 1.00 34.52 A ATOM 979 HG23 ILE 57 -3.518 -7.167 -0.863 1.00 10.12 A ATOM 980 CD1 ILE 57 -1.899 -6.552 1.129 1.00 5.52 A ATOM 981 HD11 ILE 57 -1.149 -6.347 1.880 1.00 72.32 A ATOM 982 HD12 ILE 57 -2.415 -7.466 1.374 1.00 35.04 A ATOM 983 HD13 ILE 57 -1.421 -6.657 0.165 1.00 14.22 A ATOM 984 C ILE 57 -6.656 -5.110 0.322 1.00 43.22 A ATOM 985 O ILE 57 -7.252 -5.949 0.996 1.00 55.52 A ATOM 986 N SER 58 -7.171 -4.564 -0.777 1.00 25.54 A ATOM 987 HN SER 58 -6.646 -3.901 -1.271 1.00 25.11 A ATOM 988 CA SER 58 -8.498 -4.926 -1.258 1.00 52.02 A ATOM 989 HA SER 58 -8.774 -5.864 -0.800 1.00 73.31 A ATOM 990 CB SER 58 -9.518 -3.858 -0.857 1.00 60.33 A ATOM 991 HB1 SER 58 -9.066 -2.881 -0.944 1.00 65.31 A ATOM 992 HB2 SER 58 -9.827 -4.024 0.163 1.00 41.42 A ATOM 993 OG SER 58 -10.662 -3.906 -1.694 1.00 24.23 A ATOM 994 HG SER 58 -11.149 -3.083 -1.617 1.00 40.41 A ATOM 995 C SER 58 -8.496 -5.100 -2.774 1.00 35.11 A ATOM 996 O SER 58 -7.629 -4.575 -3.470 1.00 23.22 A ATOM 997 N ASN 59 -9.477 -5.842 -3.279 1.00 41.21 A ATOM 998 HN ASN 59 -10.141 -6.234 -2.674 1.00 35.20 A ATOM 999 CA ASN 59 -9.589 -6.087 -4.712 1.00 52.34 A ATOM 1000 HA ASN 59 -8.726 -5.652 -5.192 1.00 61.25 A ATOM 1001 CB ASN 59 -9.612 -7.590 -4.994 1.00 22.52 A ATOM 1002 HB1 ASN 59 -10.617 -7.961 -4.866 1.00 3.21 A ATOM 1003 HB2 ASN 59 -8.956 -8.091 -4.297 1.00 0.50 A ATOM 1004 CG ASN 59 -9.153 -7.922 -6.401 1.00 54.12 A ATOM 1005 OD1 ASN 59 -9.795 -7.539 -7.381 1.00 71.44 A ATOM 1006 ND2 ASN 59 -8.040 -8.637 -6.509 1.00 64.21 A ATOM 1007 HD21 ASN 59 -7.582 -8.907 -5.686 1.00 23.44 A ATOM 1008 HD22 ASN 59 -7.722 -8.865 -7.407 1.00 62.13 A ATOM 1009 C ASN 59 -10.847 -5.434 -5.279 1.00 14.11 A ATOM 1010 O ASN 59 -11.050 -5.403 -6.494 1.00 33.41 A ATOM 1011 N ASP 60 -11.688 -4.913 -4.393 1.00 4.42 A ATOM 1012 HN ASP 60 -11.470 -4.968 -3.438 1.00 74.45 A ATOM 1013 CA ASP 60 -12.925 -4.258 -4.803 1.00 25.53 A ATOM 1014 HA ASP 60 -13.170 -4.606 -5.796 1.00 45.20 A ATOM 1015 CB ASP 60 -14.062 -4.629 -3.852 1.00 71.42 A ATOM 1016 HB1 ASP 60 -14.898 -3.967 -4.024 1.00 52.40 A ATOM 1017 HB2 ASP 60 -13.723 -4.516 -2.832 1.00 14.21 A ATOM 1018 CG ASP 60 -14.535 -6.057 -4.043 1.00 73.32 A ATOM 1019 OD1 ASP 60 -14.744 -6.754 -3.027 1.00 71.40 A ATOM 1020 OD2 ASP 60 -14.697 -6.478 -5.207 1.00 2.52 A ATOM 1021 C ASP 60 -12.751 -2.743 -4.843 1.00 21.41 A ATOM 1022 O ASP 60 -12.096 -2.160 -3.979 1.00 43.11 A ATOM 1023 N LYS 61 -13.341 -2.111 -5.851 1.00 74.35 A ATOM 1024 HN LYS 61 -13.850 -2.631 -6.509 1.00 72.30 A ATOM 1025 CA LYS 61 -13.253 -0.664 -6.005 1.00 11.03 A ATOM 1026 HA LYS 61 -12.225 -0.376 -5.846 1.00 51.41 A ATOM 1027 CB LYS 61 -13.674 -0.253 -7.418 1.00 24.43 A ATOM 1028 HB1 LYS 61 -13.883 0.807 -7.424 1.00 60.32 A ATOM 1029 HB2 LYS 61 -14.572 -0.791 -7.683 1.00 52.53 A ATOM 1030 CG LYS 61 -12.619 -0.537 -8.473 1.00 24.21 A ATOM 1031 HG1 LYS 61 -12.410 -1.598 -8.483 1.00 52.32 A ATOM 1032 HG2 LYS 61 -11.719 0.005 -8.224 1.00 43.54 A ATOM 1033 CD LYS 61 -13.084 -0.111 -9.855 1.00 44.12 A ATOM 1034 HD1 LYS 61 -12.963 0.959 -9.951 1.00 65.11 A ATOM 1035 HD2 LYS 61 -14.126 -0.369 -9.971 1.00 1.45 A ATOM 1036 CE LYS 61 -12.283 -0.800 -10.950 1.00 34.33 A ATOM 1037 HE1 LYS 61 -11.231 -0.669 -10.744 1.00 51.41 A ATOM 1038 HE2 LYS 61 -12.526 -0.343 -11.896 1.00 24.22 A ATOM 1039 NZ LYS 61 -12.585 -2.257 -11.023 1.00 45.21 A ATOM 1040 HZ1 LYS 61 -11.998 -2.777 -10.337 1.00 75.24 A ATOM 1041 HZ2 LYS 61 -12.382 -2.616 -11.977 1.00 12.22 A ATOM 1042 HZ3 LYS 61 -13.587 -2.426 -10.805 1.00 32.12 A ATOM 1043 C LYS 61 -14.127 0.046 -4.976 1.00 54.42 A ATOM 1044 O LYS 61 -13.787 1.130 -4.502 1.00 24.52 A ATOM 1045 N GLN 62 -15.254 -0.572 -4.636 1.00 3.31 A ATOM 1046 HN GLN 62 -15.470 -1.433 -5.049 1.00 10.11 A ATOM 1047 CA GLN 62 -16.174 0.002 -3.663 1.00 15.43 A ATOM 1048 HA GLN 62 -16.498 0.961 -4.038 1.00 34.14 A ATOM 1049 CB GLN 62 -17.396 -0.902 -3.489 1.00 63.41 A ATOM 1050 HB1 GLN 62 -17.061 -1.924 -3.390 1.00 24.32 A ATOM 1051 HB2 GLN 62 -18.017 -0.820 -4.369 1.00 53.31 A ATOM 1052 CG GLN 62 -18.241 -0.558 -2.273 1.00 62.42 A ATOM 1053 HG1 GLN 62 -18.145 0.498 -2.073 1.00 4.34 A ATOM 1054 HG2 GLN 62 -17.875 -1.120 -1.427 1.00 55.11 A ATOM 1055 CD GLN 62 -19.708 -0.883 -2.473 1.00 12.04 A ATOM 1056 OE1 GLN 62 -20.191 -1.926 -2.029 1.00 74.25 A ATOM 1057 NE2 GLN 62 -20.428 0.011 -3.140 1.00 43.42 A ATOM 1058 HE21 GLN 62 -19.976 0.819 -3.463 1.00 51.41 A ATOM 1059 HE22 GLN 62 -21.378 -0.173 -3.284 1.00 34.24 A ATOM 1060 C GLN 62 -15.487 0.210 -2.317 1.00 33.34 A ATOM 1061 O GLN 62 -15.498 1.311 -1.765 1.00 10.00 A ATOM 1062 N LEU 63 -14.889 -0.855 -1.793 1.00 61.01 A ATOM 1063 HN LEU 63 -14.915 -1.705 -2.279 1.00 71.21 A ATOM 1064 CA LEU 63 -14.196 -0.790 -0.511 1.00 73.23 A ATOM 1065 HA LEU 63 -14.931 -0.583 0.252 1.00 42.44 A ATOM 1066 CB LEU 63 -13.523 -2.129 -0.206 1.00 73.30 A ATOM 1067 HB1 LEU 63 -12.851 -1.978 0.627 1.00 51.23 A ATOM 1068 HB2 LEU 63 -12.955 -2.420 -1.075 1.00 71.31 A ATOM 1069 CG LEU 63 -14.459 -3.285 0.150 1.00 51.00 A ATOM 1070 HG LEU 63 -15.273 -3.313 -0.560 1.00 53.22 A ATOM 1071 CD1 LEU 63 -13.722 -4.613 0.070 1.00 1.34 A ATOM 1072 HD11 LEU 63 -12.834 -4.496 -0.531 1.00 3.33 A ATOM 1073 HD12 LEU 63 -14.364 -5.355 -0.377 1.00 34.44 A ATOM 1074 HD13 LEU 63 -13.444 -4.930 1.066 1.00 73.41 A ATOM 1075 CD2 LEU 63 -15.051 -3.084 1.537 1.00 11.24 A ATOM 1076 HD21 LEU 63 -14.699 -3.865 2.195 1.00 3.31 A ATOM 1077 HD22 LEU 63 -16.128 -3.123 1.479 1.00 52.03 A ATOM 1078 HD23 LEU 63 -14.745 -2.123 1.924 1.00 2.41 A ATOM 1079 C LEU 63 -13.157 0.326 -0.511 1.00 50.24 A ATOM 1080 O LEU 63 -13.088 1.124 0.425 1.00 12.24 A ATOM 1081 N LEU 64 -12.351 0.378 -1.566 1.00 54.24 A ATOM 1082 HN LEU 64 -12.454 -0.285 -2.279 1.00 52.32 A ATOM 1083 CA LEU 64 -11.316 1.399 -1.688 1.00 73.11 A ATOM 1084 HA LEU 64 -10.571 1.207 -0.931 1.00 2.22 A ATOM 1085 CB LEU 64 -10.658 1.322 -3.067 1.00 2.34 A ATOM 1086 HB1 LEU 64 -11.436 1.141 -3.794 1.00 71.53 A ATOM 1087 HB2 LEU 64 -9.973 0.489 -3.061 1.00 24.32 A ATOM 1088 CG LEU 64 -9.880 2.563 -3.509 1.00 74.04 A ATOM 1089 HG LEU 64 -9.492 3.068 -2.636 1.00 54.04 A ATOM 1090 CD1 LEU 64 -8.701 2.170 -4.387 1.00 11.14 A ATOM 1091 HD11 LEU 64 -9.015 1.421 -5.098 1.00 22.04 A ATOM 1092 HD12 LEU 64 -7.912 1.771 -3.768 1.00 44.24 A ATOM 1093 HD13 LEU 64 -8.341 3.040 -4.915 1.00 41.31 A ATOM 1094 CD2 LEU 64 -10.796 3.530 -4.247 1.00 4.20 A ATOM 1095 HD21 LEU 64 -10.393 3.730 -5.229 1.00 31.23 A ATOM 1096 HD22 LEU 64 -10.864 4.454 -3.692 1.00 13.45 A ATOM 1097 HD23 LEU 64 -11.779 3.093 -4.343 1.00 53.32 A ATOM 1098 C LEU 64 -11.896 2.792 -1.466 1.00 32.05 A ATOM 1099 O LEU 64 -11.386 3.567 -0.655 1.00 64.54 A ATOM 1100 N LYS 65 -12.966 3.104 -2.189 1.00 14.15 A ATOM 1101 HN LYS 65 -13.327 2.444 -2.819 1.00 42.21 A ATOM 1102 CA LYS 65 -13.619 4.402 -2.070 1.00 13.33 A ATOM 1103 HA LYS 65 -12.912 5.158 -2.378 1.00 12.54 A ATOM 1104 CB LYS 65 -14.846 4.465 -2.982 1.00 14.21 A ATOM 1105 HB1 LYS 65 -15.343 5.413 -2.831 1.00 33.02 A ATOM 1106 HB2 LYS 65 -15.521 3.668 -2.710 1.00 75.43 A ATOM 1107 CG LYS 65 -14.514 4.330 -4.457 1.00 23.41 A ATOM 1108 HG1 LYS 65 -13.684 3.646 -4.570 1.00 3.34 A ATOM 1109 HG2 LYS 65 -14.239 5.299 -4.846 1.00 21.15 A ATOM 1110 CD LYS 65 -15.699 3.801 -5.248 1.00 72.33 A ATOM 1111 HD1 LYS 65 -16.128 2.961 -4.721 1.00 13.24 A ATOM 1112 HD2 LYS 65 -15.357 3.479 -6.221 1.00 22.14 A ATOM 1113 CE LYS 65 -16.767 4.868 -5.433 1.00 75.44 A ATOM 1114 HE1 LYS 65 -16.294 5.776 -5.776 1.00 2.14 A ATOM 1115 HE2 LYS 65 -17.244 5.048 -4.483 1.00 33.12 A ATOM 1116 NZ LYS 65 -17.798 4.454 -6.424 1.00 75.01 A ATOM 1117 HZ1 LYS 65 -17.599 3.492 -6.767 1.00 10.40 A ATOM 1118 HZ2 LYS 65 -17.797 5.106 -7.233 1.00 73.45 A ATOM 1119 HZ3 LYS 65 -18.741 4.466 -5.985 1.00 21.52 A ATOM 1120 C LYS 65 -14.030 4.673 -0.626 1.00 73.12 A ATOM 1121 O LYS 65 -13.595 5.651 -0.020 1.00 25.50 A ATOM 1122 N GLU 66 -14.873 3.800 -0.082 1.00 72.31 A ATOM 1123 HN GLU 66 -15.186 3.040 -0.616 1.00 52.24 A ATOM 1124 CA GLU 66 -15.343 3.946 1.291 1.00 64.33 A ATOM 1125 HA GLU 66 -15.966 4.826 1.336 1.00 20.22 A ATOM 1126 CB GLU 66 -16.171 2.727 1.703 1.00 52.42 A ATOM 1127 HB1 GLU 66 -16.181 2.662 2.780 1.00 71.52 A ATOM 1128 HB2 GLU 66 -15.708 1.839 1.300 1.00 20.34 A ATOM 1129 CG GLU 66 -17.609 2.778 1.214 1.00 33.41 A ATOM 1130 HG1 GLU 66 -18.144 1.933 1.623 1.00 54.21 A ATOM 1131 HG2 GLU 66 -17.613 2.717 0.136 1.00 21.41 A ATOM 1132 CD GLU 66 -18.322 4.050 1.630 1.00 40.21 A ATOM 1133 OE1 GLU 66 -18.655 4.180 2.826 1.00 60.24 A ATOM 1134 OE2 GLU 66 -18.547 4.916 0.758 1.00 62.04 A ATOM 1135 C GLU 66 -14.170 4.124 2.252 1.00 61.43 A ATOM 1136 O GLU 66 -14.220 4.949 3.162 1.00 40.11 A ATOM 1137 N MET 67 -13.116 3.342 2.040 1.00 42.41 A ATOM 1138 HN MET 67 -13.135 2.703 1.296 1.00 3.31 A ATOM 1139 CA MET 67 -11.930 3.414 2.886 1.00 61.23 A ATOM 1140 HA MET 67 -12.208 3.080 3.873 1.00 23.11 A ATOM 1141 CB MET 67 -10.833 2.497 2.341 1.00 21.01 A ATOM 1142 HB1 MET 67 -10.229 3.054 1.640 1.00 41.24 A ATOM 1143 HB2 MET 67 -11.295 1.668 1.825 1.00 15.41 A ATOM 1144 CG MET 67 -9.918 1.938 3.418 1.00 30.35 A ATOM 1145 HG1 MET 67 -9.847 2.658 4.220 1.00 44.22 A ATOM 1146 HG2 MET 67 -8.938 1.777 2.992 1.00 5.33 A ATOM 1147 SD MET 67 -10.514 0.377 4.095 1.00 32.32 A ATOM 1148 CE MET 67 -10.385 -0.686 2.659 1.00 60.54 A ATOM 1149 HE1 MET 67 -10.581 -1.708 2.948 1.00 31.22 A ATOM 1150 HE2 MET 67 -11.106 -0.378 1.916 1.00 3.10 A ATOM 1151 HE3 MET 67 -9.389 -0.614 2.248 1.00 42.15 A ATOM 1152 C MET 67 -11.412 4.846 2.976 1.00 21.02 A ATOM 1153 O MET 67 -11.276 5.399 4.069 1.00 24.45 A ATOM 1154 N LEU 68 -11.127 5.442 1.825 1.00 73.22 A ATOM 1155 HN LEU 68 -11.257 4.951 0.986 1.00 32.21 A ATOM 1156 CA LEU 68 -10.625 6.810 1.774 1.00 41.51 A ATOM 1157 HA LEU 68 -9.652 6.824 2.245 1.00 63.33 A ATOM 1158 CB LEU 68 -10.482 7.270 0.322 1.00 52.12 A ATOM 1159 HB1 LEU 68 -10.018 8.246 0.329 1.00 72.34 A ATOM 1160 HB2 LEU 68 -11.473 7.349 -0.098 1.00 52.01 A ATOM 1161 CG LEU 68 -9.658 6.363 -0.591 1.00 35.11 A ATOM 1162 HG LEU 68 -9.774 5.337 -0.270 1.00 11.12 A ATOM 1163 CD1 LEU 68 -10.151 6.462 -2.026 1.00 63.44 A ATOM 1164 HD11 LEU 68 -11.098 5.952 -2.119 1.00 11.51 A ATOM 1165 HD12 LEU 68 -9.430 6.002 -2.686 1.00 42.35 A ATOM 1166 HD13 LEU 68 -10.271 7.501 -2.294 1.00 54.05 A ATOM 1167 CD2 LEU 68 -8.181 6.721 -0.507 1.00 22.33 A ATOM 1168 HD21 LEU 68 -7.642 5.909 -0.040 1.00 43.44 A ATOM 1169 HD22 LEU 68 -8.062 7.618 0.085 1.00 73.34 A ATOM 1170 HD23 LEU 68 -7.793 6.889 -1.499 1.00 73.54 A ATOM 1171 C LEU 68 -11.550 7.758 2.531 1.00 23.03 A ATOM 1172 O LEU 68 -11.104 8.524 3.386 1.00 52.55 A ATOM 1173 N GLU 69 -12.838 7.697 2.214 1.00 13.41 A ATOM 1174 HN GLU 69 -13.133 7.065 1.525 1.00 13.53 A ATOM 1175 CA GLU 69 -13.825 8.550 2.867 1.00 35.43 A ATOM 1176 HA GLU 69 -13.623 9.571 2.581 1.00 72.51 A ATOM 1177 CB GLU 69 -15.238 8.175 2.409 1.00 42.54 A ATOM 1178 HB1 GLU 69 -15.947 8.806 2.924 1.00 74.23 A ATOM 1179 HB2 GLU 69 -15.428 7.145 2.672 1.00 3.53 A ATOM 1180 CG GLU 69 -15.455 8.334 0.913 1.00 3.11 A ATOM 1181 HG1 GLU 69 -15.171 7.415 0.422 1.00 70.32 A ATOM 1182 HG2 GLU 69 -14.830 9.139 0.556 1.00 73.20 A ATOM 1183 CD GLU 69 -16.895 8.648 0.563 1.00 73.22 A ATOM 1184 OE1 GLU 69 -17.529 7.825 -0.132 1.00 1.35 A ATOM 1185 OE2 GLU 69 -17.390 9.715 0.982 1.00 22.11 A ATOM 1186 C GLU 69 -13.725 8.436 4.386 1.00 74.43 A ATOM 1187 O GLU 69 -13.694 9.442 5.095 1.00 43.43 A ATOM 1188 N LEU 70 -13.675 7.203 4.877 1.00 24.12 A ATOM 1189 HN LEU 70 -13.703 6.440 4.264 1.00 41.52 A ATOM 1190 CA LEU 70 -13.578 6.955 6.312 1.00 44.54 A ATOM 1191 HA LEU 70 -14.386 7.483 6.795 1.00 4.42 A ATOM 1192 CB LEU 70 -13.715 5.460 6.603 1.00 60.14 A ATOM 1193 HB1 LEU 70 -13.473 5.302 7.643 1.00 4.20 A ATOM 1194 HB2 LEU 70 -13.001 4.937 5.986 1.00 63.42 A ATOM 1195 CG LEU 70 -15.093 4.850 6.343 1.00 21.25 A ATOM 1196 HG LEU 70 -15.517 5.298 5.454 1.00 22.13 A ATOM 1197 CD1 LEU 70 -14.976 3.353 6.103 1.00 32.52 A ATOM 1198 HD11 LEU 70 -15.825 3.014 5.527 1.00 25.43 A ATOM 1199 HD12 LEU 70 -14.956 2.836 7.051 1.00 44.54 A ATOM 1200 HD13 LEU 70 -14.067 3.145 5.559 1.00 61.40 A ATOM 1201 CD2 LEU 70 -16.029 5.134 7.508 1.00 63.05 A ATOM 1202 HD21 LEU 70 -17.043 4.901 7.218 1.00 0.52 A ATOM 1203 HD22 LEU 70 -15.963 6.178 7.777 1.00 43.33 A ATOM 1204 HD23 LEU 70 -15.748 4.525 8.354 1.00 25.22 A ATOM 1205 C LEU 70 -12.254 7.473 6.865 1.00 23.10 A ATOM 1206 O LEU 70 -12.184 7.933 8.005 1.00 22.32 A ATOM 1207 N ILE 71 -11.207 7.396 6.050 1.00 53.32 A ATOM 1208 HN ILE 71 -11.325 7.020 5.153 1.00 33.12 A ATOM 1209 CA ILE 71 -9.886 7.860 6.457 1.00 22.00 A ATOM 1210 HA ILE 71 -9.703 7.502 7.460 1.00 63.23 A ATOM 1211 CB ILE 71 -8.786 7.305 5.534 1.00 22.32 A ATOM 1212 HB ILE 71 -8.998 7.622 4.525 1.00 1.40 A ATOM 1213 CG1 ILE 71 -8.771 5.776 5.585 1.00 62.42 A ATOM 1214 HG11 ILE 71 -9.769 5.420 5.796 1.00 11.21 A ATOM 1215 HG12 ILE 71 -8.105 5.454 6.370 1.00 5.14 A ATOM 1216 CG2 ILE 71 -7.428 7.867 5.931 1.00 21.40 A ATOM 1217 HG21 ILE 71 -7.460 8.190 6.962 1.00 25.21 A ATOM 1218 HG22 ILE 71 -6.675 7.101 5.819 1.00 42.30 A ATOM 1219 HG23 ILE 71 -7.187 8.707 5.297 1.00 33.44 A ATOM 1220 CD1 ILE 71 -8.310 5.133 4.296 1.00 61.20 A ATOM 1221 HD11 ILE 71 -7.418 4.554 4.479 1.00 44.50 A ATOM 1222 HD12 ILE 71 -9.088 4.486 3.918 1.00 13.22 A ATOM 1223 HD13 ILE 71 -8.097 5.902 3.566 1.00 21.32 A ATOM 1224 C ILE 71 -9.815 9.383 6.457 1.00 4.24 A ATOM 1225 O ILE 71 -8.991 9.976 7.154 1.00 10.10 A ATOM 1226 N SER 72 -10.684 10.011 5.671 1.00 41.01 A ATOM 1227 HN SER 72 -11.316 9.483 5.139 1.00 23.44 A ATOM 1228 CA SER 72 -10.718 11.466 5.579 1.00 61.11 A ATOM 1229 HA SER 72 -9.747 11.799 5.242 1.00 12.33 A ATOM 1230 CB SER 72 -11.774 11.909 4.565 1.00 75.41 A ATOM 1231 HB1 SER 72 -12.758 11.778 4.993 1.00 44.43 A ATOM 1232 HB2 SER 72 -11.688 11.307 3.672 1.00 34.11 A ATOM 1233 OG SER 72 -11.606 13.271 4.213 1.00 4.35 A ATOM 1234 HG SER 72 -11.439 13.341 3.271 1.00 51.34 A ATOM 1235 C SER 72 -11.008 12.091 6.939 1.00 74.41 A ATOM 1236 O SER 72 -10.372 13.066 7.338 1.00 21.44 A ATOM 1237 N LYS 73 -11.978 11.522 7.649 1.00 71.25 A ATOM 1238 HN LYS 73 -12.450 10.747 7.277 1.00 34.32 A ATOM 1239 CA LYS 73 -12.356 12.020 8.966 1.00 63.12 A ATOM 1240 HA LYS 73 -12.671 13.046 8.854 1.00 30.14 A ATOM 1241 CB LYS 73 -13.517 11.199 9.532 1.00 71.24 A ATOM 1242 HB1 LYS 73 -13.921 11.714 10.390 1.00 51.02 A ATOM 1243 HB2 LYS 73 -13.142 10.235 9.843 1.00 14.34 A ATOM 1244 CG LYS 73 -14.643 10.973 8.537 1.00 3.21 A ATOM 1245 HG1 LYS 73 -15.450 10.455 9.034 1.00 62.15 A ATOM 1246 HG2 LYS 73 -14.274 10.370 7.720 1.00 11.35 A ATOM 1247 CD LYS 73 -15.167 12.286 7.981 1.00 43.44 A ATOM 1248 HD1 LYS 73 -15.838 12.077 7.159 1.00 4.12 A ATOM 1249 HD2 LYS 73 -14.334 12.875 7.625 1.00 70.32 A ATOM 1250 CE LYS 73 -15.912 13.082 9.040 1.00 0.53 A ATOM 1251 HE1 LYS 73 -15.798 14.135 8.828 1.00 5.23 A ATOM 1252 HE2 LYS 73 -15.485 12.861 10.005 1.00 51.11 A ATOM 1253 NZ LYS 73 -17.363 12.749 9.064 1.00 51.11 A ATOM 1254 HZ1 LYS 73 -17.590 12.087 8.296 1.00 73.41 A ATOM 1255 HZ2 LYS 73 -17.930 13.612 8.941 1.00 11.11 A ATOM 1256 HZ3 LYS 73 -17.613 12.309 9.973 1.00 35.30 A ATOM 1257 C LYS 73 -11.171 11.972 9.927 1.00 72.12 A ATOM 1258 O LYS 73 -11.072 12.783 10.848 1.00 4.23 A ATOM 1259 N LEU 74 -10.274 11.018 9.704 1.00 21.15 A ATOM 1260 HN LEU 74 -10.407 10.401 8.954 1.00 45.30 A ATOM 1261 CA LEU 74 -9.094 10.865 10.549 1.00 13.32 A ATOM 1262 HA LEU 74 -9.399 11.019 11.573 1.00 65.12 A ATOM 1263 CB LEU 74 -8.518 9.455 10.405 1.00 52.11 A ATOM 1264 HB1 LEU 74 -7.803 9.308 11.201 1.00 11.41 A ATOM 1265 HB2 LEU 74 -8.012 9.400 9.454 1.00 61.44 A ATOM 1266 CG LEU 74 -9.530 8.309 10.466 1.00 64.10 A ATOM 1267 HG LEU 74 -10.357 8.532 9.806 1.00 20.23 A ATOM 1268 CD1 LEU 74 -8.892 7.010 9.995 1.00 13.51 A ATOM 1269 HD11 LEU 74 -8.332 6.571 10.806 1.00 61.40 A ATOM 1270 HD12 LEU 74 -8.229 7.214 9.168 1.00 60.04 A ATOM 1271 HD13 LEU 74 -9.664 6.325 9.678 1.00 55.32 A ATOM 1272 CD2 LEU 74 -10.079 8.156 11.877 1.00 61.42 A ATOM 1273 HD21 LEU 74 -10.130 7.107 12.130 1.00 40.14 A ATOM 1274 HD22 LEU 74 -11.069 8.586 11.925 1.00 4.44 A ATOM 1275 HD23 LEU 74 -9.428 8.664 12.572 1.00 21.23 A ATOM 1276 C LEU 74 -8.030 11.899 10.191 1.00 52.02 A ATOM 1277 O LEU 74 -7.662 12.735 11.015 1.00 65.44 A ATOM 1278 N GLY 75 -7.543 11.837 8.956 1.00 54.21 A ATOM 1279 HN GLY 75 -7.877 11.149 8.341 1.00 42.32 A ATOM 1280 CA GLY 75 -6.530 12.775 8.509 1.00 31.44 A ATOM 1281 HA1 GLY 75 -6.505 13.612 9.192 1.00 65.34 A ATOM 1282 HA2 GLY 75 -6.793 13.133 7.526 1.00 61.25 A ATOM 1283 C GLY 75 -5.149 12.151 8.451 1.00 22.02 A ATOM 1284 O GLY 75 -4.140 12.846 8.579 1.00 32.30 A ATOM 1285 N TYR 76 -5.104 10.837 8.261 1.00 44.25 A ATOM 1286 HN TYR 76 -5.941 10.338 8.166 1.00 34.35 A ATOM 1287 CA TYR 76 -3.837 10.119 8.191 1.00 4.21 A ATOM 1288 HA TYR 76 -3.133 10.623 8.838 1.00 34.00 A ATOM 1289 CB TYR 76 -4.014 8.680 8.677 1.00 33.23 A ATOM 1290 HB1 TYR 76 -3.062 8.171 8.628 1.00 23.14 A ATOM 1291 HB2 TYR 76 -4.720 8.175 8.035 1.00 65.24 A ATOM 1292 CG TYR 76 -4.524 8.579 10.096 1.00 35.10 A ATOM 1293 CD1 TYR 76 -4.034 9.415 11.092 1.00 25.10 A ATOM 1294 HD1 TYR 76 -3.277 10.144 10.841 1.00 13.31 A ATOM 1295 CD2 TYR 76 -5.495 7.647 10.442 1.00 54.31 A ATOM 1296 HD2 TYR 76 -5.886 6.990 9.680 1.00 74.40 A ATOM 1297 CE1 TYR 76 -4.497 9.326 12.392 1.00 70.12 A ATOM 1298 HE1 TYR 76 -4.104 9.985 13.152 1.00 32.43 A ATOM 1299 CE2 TYR 76 -5.964 7.552 11.739 1.00 41.34 A ATOM 1300 HE2 TYR 76 -6.720 6.822 11.988 1.00 75.14 A ATOM 1301 CZ TYR 76 -5.463 8.394 12.709 1.00 25.54 A ATOM 1302 OH TYR 76 -5.927 8.301 14.002 1.00 45.04 A ATOM 1303 HH TYR 76 -6.181 9.173 14.312 1.00 61.31 A ATOM 1304 C TYR 76 -3.287 10.123 6.768 1.00 24.10 A ATOM 1305 O TYR 76 -4.034 9.978 5.800 1.00 24.22 A ATOM 1306 N LYS 77 -1.974 10.289 6.649 1.00 42.53 A ATOM 1307 HN LYS 77 -1.431 10.400 7.457 1.00 43.13 A ATOM 1308 CA LYS 77 -1.320 10.311 5.345 1.00 71.45 A ATOM 1309 HA LYS 77 -1.800 11.070 4.745 1.00 25.51 A ATOM 1310 CB LYS 77 0.162 10.660 5.501 1.00 54.41 A ATOM 1311 HB1 LYS 77 0.643 9.889 6.085 1.00 30.41 A ATOM 1312 HB2 LYS 77 0.244 11.601 6.025 1.00 60.31 A ATOM 1313 CG LYS 77 0.900 10.786 4.178 1.00 71.21 A ATOM 1314 HG1 LYS 77 0.728 9.892 3.595 1.00 4.25 A ATOM 1315 HG2 LYS 77 1.955 10.893 4.374 1.00 64.52 A ATOM 1316 CD LYS 77 0.422 11.991 3.386 1.00 51.54 A ATOM 1317 HD1 LYS 77 0.461 12.866 4.021 1.00 74.11 A ATOM 1318 HD2 LYS 77 -0.595 11.821 3.066 1.00 40.35 A ATOM 1319 CE LYS 77 1.290 12.232 2.161 1.00 71.21 A ATOM 1320 HE1 LYS 77 1.027 11.509 1.402 1.00 52.24 A ATOM 1321 HE2 LYS 77 2.325 12.102 2.438 1.00 72.13 A ATOM 1322 NZ LYS 77 1.104 13.603 1.610 1.00 71.43 A ATOM 1323 HZ1 LYS 77 1.849 14.235 1.967 1.00 13.40 A ATOM 1324 HZ2 LYS 77 0.178 13.980 1.893 1.00 35.53 A ATOM 1325 HZ3 LYS 77 1.154 13.580 0.570 1.00 1.22 A ATOM 1326 C LYS 77 -1.464 8.965 4.643 1.00 75.45 A ATOM 1327 O LYS 77 -0.741 8.015 4.943 1.00 11.04 A ATOM 1328 N VAL 78 -2.401 8.890 3.704 1.00 54.05 A ATOM 1329 HN VAL 78 -2.947 9.681 3.508 1.00 74.25 A ATOM 1330 CA VAL 78 -2.639 7.661 2.956 1.00 44.12 A ATOM 1331 HA VAL 78 -1.990 6.896 3.355 1.00 52.00 A ATOM 1332 CB VAL 78 -4.096 7.185 3.105 1.00 42.22 A ATOM 1333 HB VAL 78 -4.748 7.979 2.772 1.00 35.20 A ATOM 1334 CG1 VAL 78 -4.351 5.963 2.236 1.00 1.44 A ATOM 1335 HG11 VAL 78 -3.407 5.543 1.921 1.00 51.44 A ATOM 1336 HG12 VAL 78 -4.904 5.227 2.802 1.00 2.33 A ATOM 1337 HG13 VAL 78 -4.924 6.253 1.367 1.00 54.54 A ATOM 1338 CG2 VAL 78 -4.412 6.887 4.563 1.00 51.41 A ATOM 1339 HG21 VAL 78 -5.197 6.149 4.617 1.00 61.32 A ATOM 1340 HG22 VAL 78 -3.526 6.508 5.053 1.00 71.41 A ATOM 1341 HG23 VAL 78 -4.733 7.793 5.054 1.00 13.23 A ATOM 1342 C VAL 78 -2.328 7.850 1.474 1.00 20.44 A ATOM 1343 O VAL 78 -2.740 8.836 0.864 1.00 64.20 A ATOM 1344 N PHE 79 -1.597 6.897 0.903 1.00 13.20 A ATOM 1345 HN PHE 79 -1.300 6.135 1.444 1.00 44.31 A ATOM 1346 CA PHE 79 -1.230 6.958 -0.507 1.00 15.13 A ATOM 1347 HA PHE 79 -1.409 7.965 -0.851 1.00 24.40 A ATOM 1348 CB PHE 79 0.254 6.627 -0.682 1.00 51.24 A ATOM 1349 HB1 PHE 79 0.526 6.772 -1.717 1.00 33.42 A ATOM 1350 HB2 PHE 79 0.419 5.596 -0.412 1.00 21.40 A ATOM 1351 CG PHE 79 1.161 7.477 0.159 1.00 41.14 A ATOM 1352 CD1 PHE 79 1.796 8.583 -0.383 1.00 64.33 A ATOM 1353 HD1 PHE 79 1.634 8.831 -1.422 1.00 11.54 A ATOM 1354 CD2 PHE 79 1.381 7.170 1.492 1.00 72.01 A ATOM 1355 HD2 PHE 79 0.890 6.310 1.925 1.00 3.22 A ATOM 1356 CE1 PHE 79 2.634 9.367 0.389 1.00 55.22 A ATOM 1357 HE1 PHE 79 3.123 10.226 -0.046 1.00 31.34 A ATOM 1358 CE2 PHE 79 2.215 7.951 2.270 1.00 64.11 A ATOM 1359 HE2 PHE 79 2.377 7.701 3.307 1.00 61.23 A ATOM 1360 CZ PHE 79 2.842 9.050 1.716 1.00 5.15 A ATOM 1361 HZ PHE 79 3.496 9.662 2.322 1.00 74.14 A ATOM 1362 C PHE 79 -2.079 5.996 -1.332 1.00 44.05 A ATOM 1363 O PHE 79 -2.059 4.785 -1.110 1.00 22.30 A ATOM 1364 N LEU 80 -2.825 6.544 -2.285 1.00 30.31 A ATOM 1365 HN LEU 80 -2.798 7.514 -2.416 1.00 1.34 A ATOM 1366 CA LEU 80 -3.683 5.735 -3.145 1.00 4.33 A ATOM 1367 HA LEU 80 -4.043 4.901 -2.562 1.00 64.12 A ATOM 1368 CB LEU 80 -4.877 6.560 -3.628 1.00 1.23 A ATOM 1369 HB1 LEU 80 -4.502 7.320 -4.299 1.00 0.42 A ATOM 1370 HB2 LEU 80 -5.322 7.032 -2.767 1.00 20.13 A ATOM 1371 CG LEU 80 -5.975 5.787 -4.360 1.00 21.02 A ATOM 1372 HG LEU 80 -5.578 5.403 -5.290 1.00 10.33 A ATOM 1373 CD1 LEU 80 -6.441 4.604 -3.526 1.00 24.24 A ATOM 1374 HD11 LEU 80 -5.858 3.731 -3.782 1.00 51.41 A ATOM 1375 HD12 LEU 80 -7.485 4.412 -3.724 1.00 63.05 A ATOM 1376 HD13 LEU 80 -6.309 4.829 -2.477 1.00 41.12 A ATOM 1377 CD2 LEU 80 -7.143 6.704 -4.688 1.00 73.43 A ATOM 1378 HD21 LEU 80 -7.992 6.436 -4.076 1.00 13.34 A ATOM 1379 HD22 LEU 80 -7.403 6.596 -5.732 1.00 33.45 A ATOM 1380 HD23 LEU 80 -6.866 7.728 -4.489 1.00 65.22 A ATOM 1381 C LEU 80 -2.902 5.199 -4.341 1.00 74.13 A ATOM 1382 O LEU 80 -2.111 5.917 -4.953 1.00 43.02 A ATOM 1383 N LEU 81 -3.135 3.933 -4.672 1.00 52.53 A ATOM 1384 HN LEU 81 -3.777 3.412 -4.148 1.00 65.42 A ATOM 1385 CA LEU 81 -2.457 3.300 -5.799 1.00 42.51 A ATOM 1386 HA LEU 81 -2.188 4.075 -6.502 1.00 72.14 A ATOM 1387 CB LEU 81 -1.183 2.598 -5.323 1.00 71.33 A ATOM 1388 HB1 LEU 81 -1.468 1.875 -4.572 1.00 21.43 A ATOM 1389 HB2 LEU 81 -0.542 3.342 -4.878 1.00 2.32 A ATOM 1390 CG LEU 81 -0.379 1.867 -6.398 1.00 72.43 A ATOM 1391 HG LEU 81 -1.048 1.252 -6.983 1.00 65.14 A ATOM 1392 CD1 LEU 81 0.286 2.862 -7.337 1.00 33.34 A ATOM 1393 HD11 LEU 81 -0.002 2.645 -8.354 1.00 32.30 A ATOM 1394 HD12 LEU 81 1.360 2.784 -7.241 1.00 14.45 A ATOM 1395 HD13 LEU 81 -0.026 3.863 -7.079 1.00 2.20 A ATOM 1396 CD2 LEU 81 0.660 0.956 -5.759 1.00 11.42 A ATOM 1397 HD21 LEU 81 0.238 -0.028 -5.619 1.00 13.42 A ATOM 1398 HD22 LEU 81 0.954 1.362 -4.802 1.00 2.24 A ATOM 1399 HD23 LEU 81 1.525 0.889 -6.404 1.00 52.10 A ATOM 1400 C LEU 81 -3.373 2.300 -6.494 1.00 20.01 A ATOM 1401 O LEU 81 -3.732 1.269 -5.924 1.00 74.23 A ATOM 1402 N LEU 82 -3.748 2.610 -7.730 1.00 60.41 A ATOM 1403 HN LEU 82 -3.431 3.445 -8.133 1.00 32.24 A ATOM 1404 CA LEU 82 -4.623 1.736 -8.506 1.00 0.41 A ATOM 1405 HA LEU 82 -5.056 1.015 -7.829 1.00 12.30 A ATOM 1406 CB LEU 82 -5.745 2.550 -9.154 1.00 73.10 A ATOM 1407 HB1 LEU 82 -6.220 1.925 -9.896 1.00 64.41 A ATOM 1408 HB2 LEU 82 -5.297 3.404 -9.637 1.00 45.02 A ATOM 1409 CG LEU 82 -6.832 3.064 -8.209 1.00 73.34 A ATOM 1410 HG LEU 82 -6.393 3.262 -7.241 1.00 34.13 A ATOM 1411 CD1 LEU 82 -7.421 4.364 -8.732 1.00 14.42 A ATOM 1412 HD11 LEU 82 -7.499 4.318 -9.806 1.00 42.04 A ATOM 1413 HD12 LEU 82 -6.781 5.188 -8.451 1.00 32.10 A ATOM 1414 HD13 LEU 82 -8.403 4.511 -8.305 1.00 50.14 A ATOM 1415 CD2 LEU 82 -7.921 2.016 -8.029 1.00 14.24 A ATOM 1416 HD21 LEU 82 -8.614 2.073 -8.855 1.00 40.35 A ATOM 1417 HD22 LEU 82 -8.447 2.200 -7.104 1.00 70.31 A ATOM 1418 HD23 LEU 82 -7.475 1.034 -8.002 1.00 24.45 A ATOM 1419 C LEU 82 -3.835 0.992 -9.579 1.00 73.21 A ATOM 1420 O LEU 82 -2.958 1.563 -10.227 1.00 41.20 A ATOM 1421 N GLN 83 -4.155 -0.285 -9.762 1.00 24.10 A ATOM 1422 HN GLN 83 -4.862 -0.684 -9.215 1.00 51.44 A ATOM 1423 CA GLN 83 -3.478 -1.107 -10.759 1.00 55.11 A ATOM 1424 HA GLN 83 -2.742 -0.491 -11.250 1.00 45.34 A ATOM 1425 CB GLN 83 -2.772 -2.284 -10.084 1.00 22.12 A ATOM 1426 HB1 GLN 83 -3.516 -2.931 -9.645 1.00 73.30 A ATOM 1427 HB2 GLN 83 -2.130 -1.904 -9.303 1.00 33.12 A ATOM 1428 CG GLN 83 -1.925 -3.112 -11.038 1.00 4.24 A ATOM 1429 HG1 GLN 83 -0.936 -2.678 -11.088 1.00 63.41 A ATOM 1430 HG2 GLN 83 -2.378 -3.087 -12.017 1.00 62.21 A ATOM 1431 CD GLN 83 -1.798 -4.558 -10.599 1.00 0.20 A ATOM 1432 OE1 GLN 83 -2.115 -4.904 -9.462 1.00 25.02 A ATOM 1433 NE2 GLN 83 -1.332 -5.412 -11.503 1.00 51.51 A ATOM 1434 HE21 GLN 83 -1.098 -5.064 -12.390 1.00 31.13 A ATOM 1435 HE22 GLN 83 -1.239 -6.352 -11.247 1.00 13.10 A ATOM 1436 C GLN 83 -4.465 -1.621 -11.802 1.00 1.34 A ATOM 1437 O GLN 83 -5.260 -2.521 -11.529 1.00 4.42 A ATOM 1438 N ASP 84 -4.408 -1.043 -12.997 1.00 34.24 A ATOM 1439 HN ASP 84 -3.752 -0.331 -13.154 1.00 30.12 A ATOM 1440 CA ASP 84 -5.296 -1.443 -14.082 1.00 24.22 A ATOM 1441 HA ASP 84 -5.592 -2.467 -13.909 1.00 2.41 A ATOM 1442 CB ASP 84 -6.546 -0.561 -14.099 1.00 4.41 A ATOM 1443 HB1 ASP 84 -6.284 0.415 -14.480 1.00 45.35 A ATOM 1444 HB2 ASP 84 -6.921 -0.460 -13.091 1.00 11.31 A ATOM 1445 CG ASP 84 -7.649 -1.135 -14.966 1.00 22.24 A ATOM 1446 OD1 ASP 84 -8.444 -0.345 -15.517 1.00 11.32 A ATOM 1447 OD2 ASP 84 -7.716 -2.375 -15.095 1.00 73.35 A ATOM 1448 C ASP 84 -4.582 -1.361 -15.427 1.00 50.01 A ATOM 1449 O ASP 84 -3.679 -0.546 -15.611 1.00 45.12 A ATOM 1450 N GLN 85 -4.992 -2.211 -16.363 1.00 1.04 A ATOM 1451 HN GLN 85 -5.716 -2.836 -16.155 1.00 74.52 A ATOM 1452 CA GLN 85 -4.389 -2.235 -17.691 1.00 52.01 A ATOM 1453 HA GLN 85 -3.349 -1.965 -17.587 1.00 12.13 A ATOM 1454 CB GLN 85 -4.482 -3.639 -18.290 1.00 22.34 A ATOM 1455 HB1 GLN 85 -4.315 -3.575 -19.356 1.00 1.43 A ATOM 1456 HB2 GLN 85 -5.473 -4.030 -18.113 1.00 4.22 A ATOM 1457 CG GLN 85 -3.473 -4.616 -17.709 1.00 65.12 A ATOM 1458 HG1 GLN 85 -3.652 -4.711 -16.648 1.00 3.45 A ATOM 1459 HG2 GLN 85 -2.478 -4.226 -17.870 1.00 4.01 A ATOM 1460 CD GLN 85 -3.561 -5.991 -18.341 1.00 24.31 A ATOM 1461 OE1 GLN 85 -3.051 -6.216 -19.439 1.00 62.34 A ATOM 1462 NE2 GLN 85 -4.207 -6.921 -17.648 1.00 54.23 A ATOM 1463 HE21 GLN 85 -4.588 -6.669 -16.779 1.00 73.34 A ATOM 1464 HE22 GLN 85 -4.280 -7.818 -18.033 1.00 72.12 A ATOM 1465 C GLN 85 -5.069 -1.229 -18.615 1.00 61.44 A ATOM 1466 O GLN 85 -4.627 -1.012 -19.744 1.00 31.12 A ATOM 1467 N ASP 86 -6.143 -0.619 -18.129 1.00 34.43 A ATOM 1468 HN ASP 86 -6.447 -0.835 -17.223 1.00 24.12 A ATOM 1469 CA ASP 86 -6.883 0.364 -18.912 1.00 51.20 A ATOM 1470 HA ASP 86 -6.569 0.274 -19.940 1.00 2.12 A ATOM 1471 CB ASP 86 -8.386 0.091 -18.826 1.00 35.52 A ATOM 1472 HB1 ASP 86 -8.922 1.016 -18.972 1.00 53.14 A ATOM 1473 HB2 ASP 86 -8.617 -0.304 -17.846 1.00 74.43 A ATOM 1474 CG ASP 86 -8.854 -0.907 -19.868 1.00 10.43 A ATOM 1475 OD1 ASP 86 -9.528 -0.486 -20.830 1.00 20.20 A ATOM 1476 OD2 ASP 86 -8.543 -2.107 -19.720 1.00 74.23 A ATOM 1477 C ASP 86 -6.584 1.780 -18.429 1.00 61.23 A ATOM 1478 O ASP 86 -7.229 2.282 -17.509 1.00 62.21 A ATOM 1479 N GLU 87 -5.598 2.417 -19.055 1.00 60.31 A ATOM 1480 HN GLU 87 -5.120 1.963 -19.780 1.00 10.35 A ATOM 1481 CA GLU 87 -5.213 3.774 -18.686 1.00 65.31 A ATOM 1482 HA GLU 87 -4.978 3.777 -17.633 1.00 41.54 A ATOM 1483 CB GLU 87 -3.973 4.206 -19.473 1.00 33.13 A ATOM 1484 HB1 GLU 87 -3.567 5.098 -19.019 1.00 54.00 A ATOM 1485 HB2 GLU 87 -4.265 4.431 -20.488 1.00 32.23 A ATOM 1486 CG GLU 87 -2.880 3.152 -19.513 1.00 63.21 A ATOM 1487 HG1 GLU 87 -3.173 2.374 -20.202 1.00 62.44 A ATOM 1488 HG2 GLU 87 -2.766 2.732 -18.525 1.00 62.51 A ATOM 1489 CD GLU 87 -1.542 3.714 -19.957 1.00 52.45 A ATOM 1490 OE1 GLU 87 -1.332 4.935 -19.799 1.00 11.11 A ATOM 1491 OE2 GLU 87 -0.709 2.935 -20.463 1.00 20.11 A ATOM 1492 C GLU 87 -6.355 4.752 -18.939 1.00 3.43 A ATOM 1493 O GLU 87 -6.364 5.863 -18.411 1.00 41.22 A ATOM 1494 N ASN 88 -7.319 4.331 -19.752 1.00 72.34 A ATOM 1495 HN ASN 88 -7.257 3.434 -20.143 1.00 2.34 A ATOM 1496 CA ASN 88 -8.466 5.170 -20.076 1.00 32.32 A ATOM 1497 HA ASN 88 -8.107 6.174 -20.244 1.00 32.34 A ATOM 1498 CB ASN 88 -9.148 4.667 -21.351 1.00 55.23 A ATOM 1499 HB1 ASN 88 -10.216 4.780 -21.250 1.00 33.01 A ATOM 1500 HB2 ASN 88 -8.912 3.622 -21.490 1.00 51.25 A ATOM 1501 CG ASN 88 -8.700 5.427 -22.585 1.00 0.13 A ATOM 1502 OD1 ASN 88 -7.507 5.510 -22.877 1.00 21.22 A ATOM 1503 ND2 ASN 88 -9.657 5.987 -23.314 1.00 73.22 A ATOM 1504 HD21 ASN 88 -10.585 5.880 -23.021 1.00 34.22 A ATOM 1505 HD22 ASN 88 -9.395 6.484 -24.118 1.00 75.53 A ATOM 1506 C ASN 88 -9.467 5.190 -18.926 1.00 14.31 A ATOM 1507 O ASN 88 -9.796 6.251 -18.396 1.00 54.11 A ATOM 1508 N GLU 89 -9.947 4.011 -18.545 1.00 31.44 A ATOM 1509 HN GLU 89 -9.646 3.200 -19.006 1.00 54.11 A ATOM 1510 CA GLU 89 -10.912 3.894 -17.456 1.00 1.04 A ATOM 1511 HA GLU 89 -11.684 4.631 -17.616 1.00 51.12 A ATOM 1512 CB GLU 89 -11.546 2.502 -17.454 1.00 24.32 A ATOM 1513 HB1 GLU 89 -12.383 2.502 -16.770 1.00 63.12 A ATOM 1514 HB2 GLU 89 -10.814 1.786 -17.113 1.00 30.34 A ATOM 1515 CG GLU 89 -12.046 2.059 -18.820 1.00 2.15 A ATOM 1516 HG1 GLU 89 -12.535 1.101 -18.716 1.00 54.34 A ATOM 1517 HG2 GLU 89 -11.202 1.961 -19.484 1.00 64.31 A ATOM 1518 CD GLU 89 -13.029 3.041 -19.427 1.00 2.52 A ATOM 1519 OE1 GLU 89 -14.247 2.773 -19.371 1.00 53.30 A ATOM 1520 OE2 GLU 89 -12.579 4.078 -19.960 1.00 74.44 A ATOM 1521 C GLU 89 -10.247 4.164 -16.110 1.00 32.33 A ATOM 1522 O GLU 89 -10.891 4.629 -15.168 1.00 75.35 A ATOM 1523 N LEU 90 -8.954 3.868 -16.024 1.00 2.20 A ATOM 1524 HN LEU 90 -8.495 3.500 -16.808 1.00 44.42 A ATOM 1525 CA LEU 90 -8.200 4.078 -14.794 1.00 32.34 A ATOM 1526 HA LEU 90 -8.696 3.531 -14.005 1.00 75.00 A ATOM 1527 CB LEU 90 -6.774 3.547 -14.948 1.00 30.14 A ATOM 1528 HB1 LEU 90 -6.415 3.846 -15.922 1.00 70.43 A ATOM 1529 HB2 LEU 90 -6.816 2.470 -14.896 1.00 62.20 A ATOM 1530 CG LEU 90 -5.762 4.027 -13.907 1.00 11.51 A ATOM 1531 HG LEU 90 -5.600 5.089 -14.037 1.00 33.24 A ATOM 1532 CD1 LEU 90 -6.296 3.802 -12.500 1.00 51.44 A ATOM 1533 HD11 LEU 90 -7.104 3.089 -12.532 1.00 72.32 A ATOM 1534 HD12 LEU 90 -6.655 4.738 -12.099 1.00 74.42 A ATOM 1535 HD13 LEU 90 -5.503 3.422 -11.872 1.00 40.10 A ATOM 1536 CD2 LEU 90 -4.428 3.319 -14.093 1.00 51.43 A ATOM 1537 HD21 LEU 90 -4.008 3.591 -15.050 1.00 43.04 A ATOM 1538 HD22 LEU 90 -4.581 2.250 -14.058 1.00 11.24 A ATOM 1539 HD23 LEU 90 -3.752 3.614 -13.306 1.00 10.04 A ATOM 1540 C LEU 90 -8.168 5.556 -14.419 1.00 41.45 A ATOM 1541 O LEU 90 -8.277 5.912 -13.247 1.00 4.43 A ATOM 1542 N GLU 91 -8.018 6.412 -15.427 1.00 0.22 A ATOM 1543 HN GLU 91 -7.938 6.067 -16.340 1.00 45.03 A ATOM 1544 CA GLU 91 -7.973 7.852 -15.203 1.00 51.44 A ATOM 1545 HA GLU 91 -7.200 8.051 -14.474 1.00 73.41 A ATOM 1546 CB GLU 91 -7.629 8.582 -16.503 1.00 24.15 A ATOM 1547 HB1 GLU 91 -8.530 8.695 -17.087 1.00 22.20 A ATOM 1548 HB2 GLU 91 -6.921 7.985 -17.061 1.00 23.02 A ATOM 1549 CG GLU 91 -7.024 9.959 -16.287 1.00 52.50 A ATOM 1550 HG1 GLU 91 -6.069 9.847 -15.796 1.00 64.13 A ATOM 1551 HG2 GLU 91 -7.687 10.533 -15.655 1.00 10.32 A ATOM 1552 CD GLU 91 -6.818 10.716 -17.584 1.00 3.03 A ATOM 1553 OE1 GLU 91 -7.658 11.583 -17.905 1.00 65.10 A ATOM 1554 OE2 GLU 91 -5.816 10.442 -18.278 1.00 23.53 A ATOM 1555 C GLU 91 -9.305 8.361 -14.659 1.00 41.34 A ATOM 1556 O GLU 91 -9.347 9.060 -13.648 1.00 2.25 A ATOM 1557 N GLU 92 -10.389 8.005 -15.340 1.00 12.43 A ATOM 1558 HN GLU 92 -10.292 7.447 -16.139 1.00 31.22 A ATOM 1559 CA GLU 92 -11.723 8.427 -14.924 1.00 51.34 A ATOM 1560 HA GLU 92 -11.829 9.474 -15.165 1.00 51.44 A ATOM 1561 CB GLU 92 -12.790 7.634 -15.680 1.00 32.32 A ATOM 1562 HB1 GLU 92 -13.753 7.831 -15.232 1.00 14.51 A ATOM 1563 HB2 GLU 92 -12.572 6.580 -15.590 1.00 4.23 A ATOM 1564 CG GLU 92 -12.875 7.979 -17.157 1.00 65.32 A ATOM 1565 HG1 GLU 92 -12.202 7.333 -17.704 1.00 52.20 A ATOM 1566 HG2 GLU 92 -12.572 9.007 -17.291 1.00 63.44 A ATOM 1567 CD GLU 92 -14.273 7.808 -17.718 1.00 40.12 A ATOM 1568 OE1 GLU 92 -15.232 8.281 -17.073 1.00 11.10 A ATOM 1569 OE2 GLU 92 -14.408 7.202 -18.802 1.00 75.23 A ATOM 1570 C GLU 92 -11.908 8.246 -13.421 1.00 51.35 A ATOM 1571 O GLU 92 -12.306 9.175 -12.718 1.00 24.44 A ATOM 1572 N PHE 93 -11.616 7.044 -12.936 1.00 14.32 A ATOM 1573 HN PHE 93 -11.303 6.345 -13.547 1.00 71.23 A ATOM 1574 CA PHE 93 -11.752 6.740 -11.515 1.00 63.21 A ATOM 1575 HA PHE 93 -12.704 7.125 -11.184 1.00 5.03 A ATOM 1576 CB PHE 93 -11.721 5.227 -11.291 1.00 71.51 A ATOM 1577 HB1 PHE 93 -10.760 4.844 -11.601 1.00 20.23 A ATOM 1578 HB2 PHE 93 -12.495 4.766 -11.887 1.00 13.00 A ATOM 1579 CG PHE 93 -11.941 4.828 -9.861 1.00 31.22 A ATOM 1580 CD1 PHE 93 -13.184 4.979 -9.268 1.00 42.01 A ATOM 1581 HD1 PHE 93 -14.001 5.388 -9.848 1.00 50.10 A ATOM 1582 CD2 PHE 93 -10.904 4.302 -9.107 1.00 51.30 A ATOM 1583 HD2 PHE 93 -9.930 4.180 -9.556 1.00 50.35 A ATOM 1584 CE1 PHE 93 -13.391 4.613 -7.951 1.00 62.23 A ATOM 1585 HE1 PHE 93 -14.364 4.737 -7.503 1.00 72.34 A ATOM 1586 CE2 PHE 93 -11.104 3.934 -7.790 1.00 72.11 A ATOM 1587 HE2 PHE 93 -10.287 3.526 -7.212 1.00 2.00 A ATOM 1588 CZ PHE 93 -12.348 4.090 -7.212 1.00 3.54 A ATOM 1589 HZ PHE 93 -12.508 3.803 -6.183 1.00 44.10 A ATOM 1590 C PHE 93 -10.642 7.407 -10.709 1.00 13.44 A ATOM 1591 O PHE 93 -10.828 7.748 -9.540 1.00 64.10 A ATOM 1592 N LYS 94 -9.488 7.591 -11.340 1.00 42.00 A ATOM 1593 HN LYS 94 -9.400 7.298 -12.271 1.00 0.21 A ATOM 1594 CA LYS 94 -8.347 8.218 -10.683 1.00 51.00 A ATOM 1595 HA LYS 94 -8.152 7.677 -9.770 1.00 25.22 A ATOM 1596 CB LYS 94 -7.110 8.143 -11.581 1.00 54.23 A ATOM 1597 HB1 LYS 94 -7.367 8.525 -12.558 1.00 70.22 A ATOM 1598 HB2 LYS 94 -6.809 7.110 -11.674 1.00 74.12 A ATOM 1599 CG LYS 94 -5.927 8.938 -11.055 1.00 75.52 A ATOM 1600 HG1 LYS 94 -5.602 8.505 -10.119 1.00 42.04 A ATOM 1601 HG2 LYS 94 -6.235 9.960 -10.893 1.00 31.14 A ATOM 1602 CD LYS 94 -4.765 8.923 -12.035 1.00 10.02 A ATOM 1603 HD1 LYS 94 -4.599 7.908 -12.366 1.00 43.15 A ATOM 1604 HD2 LYS 94 -3.881 9.290 -11.535 1.00 70.43 A ATOM 1605 CE LYS 94 -5.046 9.800 -13.244 1.00 43.42 A ATOM 1606 HE1 LYS 94 -5.989 9.502 -13.678 1.00 24.51 A ATOM 1607 HE2 LYS 94 -4.258 9.658 -13.966 1.00 44.13 A ATOM 1608 NZ LYS 94 -5.115 11.243 -12.881 1.00 32.44 A ATOM 1609 HZ1 LYS 94 -4.200 11.559 -12.500 1.00 11.22 A ATOM 1610 HZ2 LYS 94 -5.848 11.394 -12.159 1.00 30.34 A ATOM 1611 HZ3 LYS 94 -5.348 11.813 -13.718 1.00 25.40 A ATOM 1612 C LYS 94 -8.649 9.672 -10.337 1.00 51.55 A ATOM 1613 O LYS 94 -8.645 10.056 -9.168 1.00 15.23 A ATOM 1614 N ARG 95 -8.914 10.477 -11.361 1.00 74.30 A ATOM 1615 HN ARG 95 -8.902 10.112 -12.271 1.00 0.13 A ATOM 1616 CA ARG 95 -9.220 11.889 -11.166 1.00 30.41 A ATOM 1617 HA ARG 95 -8.313 12.384 -10.851 1.00 63.21 A ATOM 1618 CB ARG 95 -9.700 12.515 -12.476 1.00 42.34 A ATOM 1619 HB1 ARG 95 -8.921 12.412 -13.216 1.00 11.11 A ATOM 1620 HB2 ARG 95 -9.892 13.565 -12.311 1.00 45.31 A ATOM 1621 CG ARG 95 -10.966 11.882 -13.026 1.00 71.55 A ATOM 1622 HG1 ARG 95 -11.764 12.017 -12.311 1.00 33.21 A ATOM 1623 HG2 ARG 95 -10.793 10.827 -13.180 1.00 63.33 A ATOM 1624 CD ARG 95 -11.375 12.510 -14.349 1.00 13.14 A ATOM 1625 HD1 ARG 95 -10.660 12.222 -15.105 1.00 71.33 A ATOM 1626 HD2 ARG 95 -11.369 13.584 -14.239 1.00 12.23 A ATOM 1627 NE ARG 95 -12.708 12.084 -14.770 1.00 3.52 A ATOM 1628 HE ARG 95 -13.085 11.289 -14.340 1.00 54.40 A ATOM 1629 CZ ARG 95 -13.423 12.716 -15.694 1.00 73.50 A ATOM 1630 NH1 ARG 95 -12.937 13.794 -16.291 1.00 2.54 A ATOM 1631 HH11 ARG 95 -12.029 14.134 -16.047 1.00 21.02 A ATOM 1632 HH12 ARG 95 -13.476 14.267 -16.988 1.00 53.11 A ATOM 1633 NH2 ARG 95 -14.628 12.267 -16.023 1.00 12.15 A ATOM 1634 HH21 ARG 95 -14.998 11.454 -15.573 1.00 72.03 A ATOM 1635 HH22 ARG 95 -15.165 12.743 -16.718 1.00 20.31 A ATOM 1636 C ARG 95 -10.280 12.070 -10.084 1.00 51.25 A ATOM 1637 O ARG 95 -10.210 12.998 -9.279 1.00 2.42 A ATOM 1638 N LYS 96 -11.264 11.178 -10.073 1.00 34.31 A ATOM 1639 HN LYS 96 -11.268 10.460 -10.741 1.00 45.13 A ATOM 1640 CA LYS 96 -12.341 11.238 -9.090 1.00 24.50 A ATOM 1641 HA LYS 96 -12.937 12.113 -9.303 1.00 23.51 A ATOM 1642 CB LYS 96 -13.226 9.994 -9.198 1.00 52.12 A ATOM 1643 HB1 LYS 96 -13.660 9.790 -8.229 1.00 43.41 A ATOM 1644 HB2 LYS 96 -12.614 9.155 -9.492 1.00 23.22 A ATOM 1645 CG LYS 96 -14.357 10.137 -10.204 1.00 22.24 A ATOM 1646 HG1 LYS 96 -14.017 9.781 -11.166 1.00 43.40 A ATOM 1647 HG2 LYS 96 -14.630 11.179 -10.279 1.00 33.31 A ATOM 1648 CD LYS 96 -15.579 9.337 -9.785 1.00 73.10 A ATOM 1649 HD1 LYS 96 -16.131 9.900 -9.047 1.00 25.45 A ATOM 1650 HD2 LYS 96 -15.257 8.399 -9.360 1.00 22.34 A ATOM 1651 CE LYS 96 -16.488 9.051 -10.971 1.00 34.34 A ATOM 1652 HE1 LYS 96 -16.096 8.204 -11.512 1.00 60.24 A ATOM 1653 HE2 LYS 96 -16.503 9.916 -11.614 1.00 44.21 A ATOM 1654 NZ LYS 96 -17.881 8.746 -10.538 1.00 62.25 A ATOM 1655 HZ1 LYS 96 -18.058 7.723 -10.602 1.00 21.31 A ATOM 1656 HZ2 LYS 96 -18.561 9.241 -11.151 1.00 4.55 A ATOM 1657 HZ3 LYS 96 -18.026 9.053 -9.556 1.00 31.23 A ATOM 1658 C LYS 96 -11.782 11.356 -7.677 1.00 21.41 A ATOM 1659 O LYS 96 -12.306 12.105 -6.852 1.00 62.44 A ATOM 1660 N ILE 97 -10.713 10.613 -7.404 1.00 52.32 A ATOM 1661 HN ILE 97 -10.341 10.036 -8.102 1.00 1.30 A ATOM 1662 CA ILE 97 -10.083 10.638 -6.090 1.00 22.43 A ATOM 1663 HA ILE 97 -10.819 10.972 -5.373 1.00 22.34 A ATOM 1664 CB ILE 97 -9.598 9.236 -5.672 1.00 55.44 A ATOM 1665 HB ILE 97 -8.837 8.921 -6.366 1.00 64.24 A ATOM 1666 CG1 ILE 97 -10.758 8.239 -5.715 1.00 51.13 A ATOM 1667 HG11 ILE 97 -11.340 8.412 -6.610 1.00 44.11 A ATOM 1668 HG12 ILE 97 -11.386 8.388 -4.851 1.00 13.23 A ATOM 1669 CG2 ILE 97 -8.983 9.282 -4.282 1.00 20.32 A ATOM 1670 HG21 ILE 97 -9.015 8.296 -3.841 1.00 35.04 A ATOM 1671 HG22 ILE 97 -7.957 9.609 -4.352 1.00 43.14 A ATOM 1672 HG23 ILE 97 -9.540 9.971 -3.663 1.00 21.51 A ATOM 1673 CD1 ILE 97 -10.312 6.794 -5.721 1.00 31.33 A ATOM 1674 HD11 ILE 97 -9.905 6.538 -4.755 1.00 0.20 A ATOM 1675 HD12 ILE 97 -11.158 6.157 -5.936 1.00 64.20 A ATOM 1676 HD13 ILE 97 -9.555 6.654 -6.479 1.00 51.54 A ATOM 1677 C ILE 97 -8.899 11.599 -6.067 1.00 44.22 A ATOM 1678 O ILE 97 -8.438 12.004 -5.000 1.00 25.31 A ATOM 1679 N GLU 98 -8.415 11.962 -7.250 1.00 14.21 A ATOM 1680 HN GLU 98 -8.826 11.606 -8.066 1.00 23.32 A ATOM 1681 CA GLU 98 -7.286 12.878 -7.364 1.00 72.24 A ATOM 1682 HA GLU 98 -6.489 12.501 -6.741 1.00 15.20 A ATOM 1683 CB GLU 98 -6.796 12.940 -8.814 1.00 4.33 A ATOM 1684 HB1 GLU 98 -7.341 13.716 -9.331 1.00 24.24 A ATOM 1685 HB2 GLU 98 -6.998 11.992 -9.290 1.00 42.34 A ATOM 1686 CG GLU 98 -5.311 13.234 -8.942 1.00 55.50 A ATOM 1687 HG1 GLU 98 -4.768 12.302 -8.898 1.00 3.21 A ATOM 1688 HG2 GLU 98 -5.010 13.865 -8.119 1.00 21.20 A ATOM 1689 CD GLU 98 -4.966 13.936 -10.241 1.00 2.51 A ATOM 1690 OE1 GLU 98 -3.942 14.652 -10.273 1.00 25.32 A ATOM 1691 OE2 GLU 98 -5.717 13.771 -11.224 1.00 10.13 A ATOM 1692 C GLU 98 -7.668 14.275 -6.884 1.00 41.12 A ATOM 1693 O GLU 98 -6.812 15.053 -6.462 1.00 55.11 A ATOM 1694 N SER 99 -8.957 14.586 -6.954 1.00 34.03 A ATOM 1695 HN SER 99 -9.591 13.923 -7.299 1.00 21.34 A ATOM 1696 CA SER 99 -9.454 15.891 -6.529 1.00 62.55 A ATOM 1697 HA SER 99 -8.775 16.641 -6.909 1.00 12.20 A ATOM 1698 CB SER 99 -10.848 16.142 -7.108 1.00 32.24 A ATOM 1699 HB1 SER 99 -11.543 15.434 -6.680 1.00 13.35 A ATOM 1700 HB2 SER 99 -10.819 16.016 -8.178 1.00 45.12 A ATOM 1701 OG SER 99 -11.293 17.455 -6.812 1.00 61.25 A ATOM 1702 HG SER 99 -12.104 17.411 -6.300 1.00 44.21 A ATOM 1703 C SER 99 -9.495 15.988 -5.008 1.00 42.05 A ATOM 1704 O SER 99 -9.241 17.048 -4.436 1.00 73.12 A ATOM 1705 N GLN 100 -9.819 14.874 -4.358 1.00 50.22 A ATOM 1706 HN GLN 100 -10.011 14.061 -4.870 1.00 1.44 A ATOM 1707 CA GLN 100 -9.895 14.834 -2.904 1.00 33.14 A ATOM 1708 HA GLN 100 -10.696 15.489 -2.596 1.00 4.54 A ATOM 1709 CB GLN 100 -10.205 13.414 -2.427 1.00 61.32 A ATOM 1710 HB1 GLN 100 -10.329 13.426 -1.354 1.00 70.34 A ATOM 1711 HB2 GLN 100 -9.373 12.773 -2.677 1.00 43.11 A ATOM 1712 CG GLN 100 -11.463 12.825 -3.044 1.00 50.42 A ATOM 1713 HG1 GLN 100 -11.205 12.371 -3.991 1.00 14.24 A ATOM 1714 HG2 GLN 100 -12.173 13.622 -3.210 1.00 74.45 A ATOM 1715 CD GLN 100 -12.111 11.776 -2.163 1.00 42.23 A ATOM 1716 OE1 GLN 100 -12.389 12.021 -0.989 1.00 41.31 A ATOM 1717 NE2 GLN 100 -12.354 10.598 -2.726 1.00 11.42 A ATOM 1718 HE21 GLN 100 -12.104 10.474 -3.666 1.00 13.30 A ATOM 1719 HE22 GLN 100 -12.771 9.902 -2.178 1.00 33.22 A ATOM 1720 C GLN 100 -8.592 15.321 -2.276 1.00 31.24 A ATOM 1721 O GLN 100 -8.604 16.050 -1.286 1.00 51.52 A ATOM 1722 N GLY 101 -7.470 14.911 -2.861 1.00 30.03 A ATOM 1723 HN GLY 101 -7.523 14.330 -3.648 1.00 71.32 A ATOM 1724 CA GLY 101 -6.175 15.315 -2.345 1.00 70.20 A ATOM 1725 HA1 GLY 101 -6.319 15.830 -1.405 1.00 61.25 A ATOM 1726 HA2 GLY 101 -5.716 15.992 -3.049 1.00 2.22 A ATOM 1727 C GLY 101 -5.248 14.137 -2.119 1.00 40.01 A ATOM 1728 O GLY 101 -4.079 14.315 -1.776 1.00 40.12 A ATOM 1729 N TYR 102 -5.771 12.931 -2.309 1.00 21.52 A ATOM 1730 HN TYR 102 -6.709 12.853 -2.582 1.00 22.33 A ATOM 1731 CA TYR 102 -4.982 11.718 -2.120 1.00 10.35 A ATOM 1732 HA TYR 102 -4.373 11.853 -1.239 1.00 30.14 A ATOM 1733 CB TYR 102 -5.902 10.515 -1.909 1.00 31.21 A ATOM 1734 HB1 TYR 102 -5.300 9.635 -1.739 1.00 30.13 A ATOM 1735 HB2 TYR 102 -6.502 10.368 -2.794 1.00 44.50 A ATOM 1736 CG TYR 102 -6.841 10.669 -0.733 1.00 4.45 A ATOM 1737 CD1 TYR 102 -6.351 10.811 0.559 1.00 65.04 A ATOM 1738 HD1 TYR 102 -5.281 10.809 0.717 1.00 2.31 A ATOM 1739 CD2 TYR 102 -8.219 10.673 -0.915 1.00 31.13 A ATOM 1740 HD2 TYR 102 -8.617 10.563 -1.913 1.00 41.43 A ATOM 1741 CE1 TYR 102 -7.204 10.952 1.636 1.00 71.23 A ATOM 1742 HE1 TYR 102 -6.803 11.061 2.633 1.00 64.11 A ATOM 1743 CE2 TYR 102 -9.079 10.815 0.156 1.00 30.32 A ATOM 1744 HE2 TYR 102 -10.148 10.816 -0.005 1.00 60.51 A ATOM 1745 CZ TYR 102 -8.568 10.954 1.429 1.00 21.43 A ATOM 1746 OH TYR 102 -9.421 11.094 2.499 1.00 73.41 A ATOM 1747 HH TYR 102 -9.611 12.025 2.639 1.00 73.35 A ATOM 1748 C TYR 102 -4.069 11.470 -3.317 1.00 14.12 A ATOM 1749 O TYR 102 -4.503 11.533 -4.465 1.00 61.23 A ATOM 1750 N GLU 103 -2.800 11.187 -3.035 1.00 11.40 A ATOM 1751 HN GLU 103 -2.514 11.152 -2.099 1.00 60.15 A ATOM 1752 CA GLU 103 -1.825 10.930 -4.088 1.00 25.44 A ATOM 1753 HA GLU 103 -1.893 11.732 -4.806 1.00 50.41 A ATOM 1754 CB GLU 103 -0.409 10.901 -3.506 1.00 75.12 A ATOM 1755 HB1 GLU 103 -0.308 10.026 -2.881 1.00 53.00 A ATOM 1756 HB2 GLU 103 -0.264 11.783 -2.901 1.00 1.34 A ATOM 1757 CG GLU 103 0.681 10.861 -4.564 1.00 31.44 A ATOM 1758 HG1 GLU 103 0.442 10.089 -5.279 1.00 60.24 A ATOM 1759 HG2 GLU 103 1.620 10.627 -4.084 1.00 73.33 A ATOM 1760 CD GLU 103 0.829 12.178 -5.299 1.00 72.32 A ATOM 1761 OE1 GLU 103 0.821 12.162 -6.549 1.00 42.41 A ATOM 1762 OE2 GLU 103 0.954 13.223 -4.628 1.00 2.03 A ATOM 1763 C GLU 103 -2.123 9.611 -4.796 1.00 24.54 A ATOM 1764 O GLU 103 -1.772 8.537 -4.305 1.00 2.33 A ATOM 1765 N VAL 104 -2.774 9.699 -5.951 1.00 13.12 A ATOM 1766 HN VAL 104 -3.029 10.583 -6.290 1.00 30.22 A ATOM 1767 CA VAL 104 -3.120 8.514 -6.726 1.00 61.13 A ATOM 1768 HA VAL 104 -3.103 7.663 -6.061 1.00 61.43 A ATOM 1769 CB VAL 104 -4.534 8.628 -7.326 1.00 2.55 A ATOM 1770 HB VAL 104 -4.506 9.356 -8.123 1.00 55.40 A ATOM 1771 CG1 VAL 104 -4.976 7.296 -7.913 1.00 44.24 A ATOM 1772 HG11 VAL 104 -4.649 6.494 -7.268 1.00 70.44 A ATOM 1773 HG12 VAL 104 -6.052 7.278 -7.997 1.00 34.45 A ATOM 1774 HG13 VAL 104 -4.535 7.171 -8.892 1.00 54.43 A ATOM 1775 CG2 VAL 104 -5.521 9.110 -6.273 1.00 74.23 A ATOM 1776 HG21 VAL 104 -5.107 8.949 -5.291 1.00 25.50 A ATOM 1777 HG22 VAL 104 -5.713 10.164 -6.415 1.00 73.23 A ATOM 1778 HG23 VAL 104 -6.447 8.560 -6.369 1.00 1.35 A ATOM 1779 C VAL 104 -2.119 8.283 -7.852 1.00 22.14 A ATOM 1780 O VAL 104 -1.868 9.173 -8.665 1.00 24.01 A ATOM 1781 N ARG 105 -1.552 7.082 -7.895 1.00 73.14 A ATOM 1782 HN ARG 105 -1.794 6.414 -7.220 1.00 11.20 A ATOM 1783 CA ARG 105 -0.578 6.734 -8.922 1.00 65.41 A ATOM 1784 HA ARG 105 -0.438 7.598 -9.553 1.00 73.33 A ATOM 1785 CB ARG 105 0.763 6.366 -8.279 1.00 75.23 A ATOM 1786 HB1 ARG 105 1.259 5.638 -8.904 1.00 40.24 A ATOM 1787 HB2 ARG 105 0.575 5.929 -7.309 1.00 71.13 A ATOM 1788 CG ARG 105 1.696 7.551 -8.096 1.00 53.32 A ATOM 1789 HG1 ARG 105 2.483 7.274 -7.412 1.00 5.33 A ATOM 1790 HG2 ARG 105 1.135 8.379 -7.686 1.00 61.02 A ATOM 1791 CD ARG 105 2.316 7.983 -9.416 1.00 74.31 A ATOM 1792 HD1 ARG 105 1.599 7.813 -10.206 1.00 21.23 A ATOM 1793 HD2 ARG 105 3.198 7.387 -9.596 1.00 3.24 A ATOM 1794 NE ARG 105 2.690 9.394 -9.410 1.00 13.43 A ATOM 1795 HE ARG 105 2.083 10.026 -9.849 1.00 40.44 A ATOM 1796 CZ ARG 105 3.797 9.858 -8.843 1.00 51.41 A ATOM 1797 NH1 ARG 105 4.636 9.027 -8.241 1.00 34.14 A ATOM 1798 HH11 ARG 105 4.434 8.048 -8.212 1.00 22.10 A ATOM 1799 HH12 ARG 105 5.470 9.379 -7.816 1.00 21.32 A ATOM 1800 NH2 ARG 105 4.069 11.157 -8.878 1.00 23.21 A ATOM 1801 HH21 ARG 105 3.438 11.787 -9.331 1.00 65.44 A ATOM 1802 HH22 ARG 105 4.902 11.505 -8.451 1.00 63.02 A ATOM 1803 C ARG 105 -1.079 5.574 -9.776 1.00 65.13 A ATOM 1804 O ARG 105 -1.796 4.697 -9.294 1.00 32.24 A ATOM 1805 N LYS 106 -0.699 5.576 -11.049 1.00 42.23 A ATOM 1806 HN LYS 106 -0.127 6.303 -11.377 1.00 20.04 A ATOM 1807 CA LYS 106 -1.109 4.525 -11.974 1.00 3.01 A ATOM 1808 HA LYS 106 -1.972 4.032 -11.552 1.00 64.51 A ATOM 1809 CB LYS 106 -1.490 5.128 -13.328 1.00 31.41 A ATOM 1810 HB1 LYS 106 -1.808 4.332 -13.986 1.00 22.44 A ATOM 1811 HB2 LYS 106 -0.621 5.607 -13.753 1.00 3.23 A ATOM 1812 CG LYS 106 -2.607 6.153 -13.244 1.00 64.13 A ATOM 1813 HG1 LYS 106 -2.554 6.651 -12.287 1.00 14.43 A ATOM 1814 HG2 LYS 106 -3.556 5.646 -13.337 1.00 3.12 A ATOM 1815 CD LYS 106 -2.495 7.191 -14.348 1.00 44.20 A ATOM 1816 HD1 LYS 106 -1.550 7.705 -14.252 1.00 5.20 A ATOM 1817 HD2 LYS 106 -3.304 7.900 -14.247 1.00 40.03 A ATOM 1818 CE LYS 106 -2.572 6.551 -15.726 1.00 21.15 A ATOM 1819 HE1 LYS 106 -3.019 7.256 -16.410 1.00 24.10 A ATOM 1820 HE2 LYS 106 -3.191 5.668 -15.663 1.00 1.42 A ATOM 1821 NZ LYS 106 -1.227 6.166 -16.233 1.00 74.25 A ATOM 1822 HZ1 LYS 106 -1.071 5.147 -16.096 1.00 34.24 A ATOM 1823 HZ2 LYS 106 -0.488 6.691 -15.724 1.00 62.52 A ATOM 1824 HZ3 LYS 106 -1.153 6.382 -17.248 1.00 35.01 A ATOM 1825 C LYS 106 0.004 3.498 -12.157 1.00 1.21 A ATOM 1826 O LYS 106 1.188 3.839 -12.136 1.00 51.04 A ATOM 1827 N VAL 107 -0.381 2.239 -12.340 1.00 55.42 A ATOM 1828 HN VAL 107 -1.340 2.030 -12.346 1.00 63.24 A ATOM 1829 CA VAL 107 0.583 1.163 -12.530 1.00 14.32 A ATOM 1830 HA VAL 107 1.411 1.555 -13.102 1.00 1.12 A ATOM 1831 CB VAL 107 1.126 0.651 -11.183 1.00 71.54 A ATOM 1832 HB VAL 107 1.591 1.477 -10.668 1.00 11.42 A ATOM 1833 CG1 VAL 107 -0.008 0.127 -10.314 1.00 54.15 A ATOM 1834 HG11 VAL 107 0.127 0.471 -9.300 1.00 4.05 A ATOM 1835 HG12 VAL 107 -0.952 0.490 -10.697 1.00 53.51 A ATOM 1836 HG13 VAL 107 -0.006 -0.953 -10.331 1.00 50.11 A ATOM 1837 CG2 VAL 107 2.176 -0.426 -11.407 1.00 1.14 A ATOM 1838 HG21 VAL 107 2.292 -0.600 -12.466 1.00 34.01 A ATOM 1839 HG22 VAL 107 3.119 -0.101 -10.991 1.00 71.34 A ATOM 1840 HG23 VAL 107 1.865 -1.340 -10.924 1.00 2.33 A ATOM 1841 C VAL 107 -0.036 -0.002 -13.293 1.00 74.22 A ATOM 1842 O VAL 107 -1.111 -0.491 -12.938 1.00 42.24 A ATOM 1843 N THR 108 0.647 -0.445 -14.343 1.00 72.22 A ATOM 1844 HN THR 108 1.495 -0.015 -14.576 1.00 12.21 A ATOM 1845 CA THR 108 0.162 -1.553 -15.157 1.00 65.32 A ATOM 1846 HA THR 108 -0.811 -1.839 -14.788 1.00 43.35 A ATOM 1847 CB THR 108 0.018 -1.144 -16.636 1.00 10.40 A ATOM 1848 HB THR 108 -0.244 -2.019 -17.212 1.00 70.14 A ATOM 1849 OG1 THR 108 1.259 -0.619 -17.122 1.00 25.34 A ATOM 1850 HG1 THR 108 1.357 0.291 -16.834 1.00 42.41 A ATOM 1851 CG2 THR 108 -1.079 -0.103 -16.803 1.00 60.23 A ATOM 1852 HG21 THR 108 -1.965 -0.575 -17.204 1.00 24.14 A ATOM 1853 HG22 THR 108 -0.744 0.667 -17.483 1.00 63.32 A ATOM 1854 HG23 THR 108 -1.306 0.337 -15.845 1.00 74.33 A ATOM 1855 C THR 108 1.099 -2.753 -15.064 1.00 71.35 A ATOM 1856 O THR 108 0.684 -3.893 -15.279 1.00 4.04 A ATOM 1857 N ASP 109 2.361 -2.490 -14.742 1.00 34.12 A ATOM 1858 HN ASP 109 2.629 -1.561 -14.584 1.00 54.21 A ATOM 1859 CA ASP 109 3.355 -3.550 -14.619 1.00 0.42 A ATOM 1860 HA ASP 109 3.110 -4.319 -15.335 1.00 0.04 A ATOM 1861 CB ASP 109 4.751 -3.007 -14.927 1.00 40.24 A ATOM 1862 HB1 ASP 109 5.486 -3.616 -14.424 1.00 31.13 A ATOM 1863 HB2 ASP 109 4.822 -1.991 -14.567 1.00 43.32 A ATOM 1864 CG ASP 109 5.057 -3.011 -16.413 1.00 71.40 A ATOM 1865 OD1 ASP 109 5.634 -4.008 -16.896 1.00 12.01 A ATOM 1866 OD2 ASP 109 4.720 -2.019 -17.090 1.00 44.13 A ATOM 1867 C ASP 109 3.331 -4.157 -13.220 1.00 14.35 A ATOM 1868 O ASP 109 3.329 -3.438 -12.220 1.00 44.11 A ATOM 1869 N ASP 110 3.308 -5.483 -13.155 1.00 71.43 A ATOM 1870 HN ASP 110 3.310 -6.002 -13.988 1.00 43.35 A ATOM 1871 CA ASP 110 3.283 -6.188 -11.880 1.00 2.24 A ATOM 1872 HA ASP 110 2.389 -5.891 -11.355 1.00 32.35 A ATOM 1873 CB ASP 110 3.249 -7.700 -12.108 1.00 12.24 A ATOM 1874 HB1 ASP 110 2.373 -7.949 -12.689 1.00 42.02 A ATOM 1875 HB2 ASP 110 3.193 -8.200 -11.151 1.00 23.33 A ATOM 1876 CG ASP 110 4.475 -8.203 -12.843 1.00 24.34 A ATOM 1877 OD1 ASP 110 4.639 -7.855 -14.030 1.00 22.22 A ATOM 1878 OD2 ASP 110 5.271 -8.945 -12.229 1.00 42.24 A ATOM 1879 C ASP 110 4.495 -5.817 -11.030 1.00 24.11 A ATOM 1880 O ASP 110 4.415 -5.774 -9.803 1.00 3.51 A ATOM 1881 N GLU 111 5.617 -5.552 -11.694 1.00 31.02 A ATOM 1882 HN GLU 111 5.618 -5.604 -12.672 1.00 52.43 A ATOM 1883 CA GLU 111 6.846 -5.187 -10.998 1.00 71.11 A ATOM 1884 HA GLU 111 6.928 -5.809 -10.120 1.00 24.05 A ATOM 1885 CB GLU 111 8.059 -5.435 -11.898 1.00 20.41 A ATOM 1886 HB1 GLU 111 8.858 -4.775 -11.593 1.00 32.22 A ATOM 1887 HB2 GLU 111 7.788 -5.210 -12.919 1.00 33.51 A ATOM 1888 CG GLU 111 8.574 -6.864 -11.843 1.00 5.22 A ATOM 1889 HG1 GLU 111 7.733 -7.533 -11.738 1.00 1.10 A ATOM 1890 HG2 GLU 111 9.223 -6.967 -10.986 1.00 44.41 A ATOM 1891 CD GLU 111 9.351 -7.252 -13.087 1.00 3.54 A ATOM 1892 OE1 GLU 111 10.172 -8.189 -13.005 1.00 52.35 A ATOM 1893 OE2 GLU 111 9.137 -6.618 -14.142 1.00 73.33 A ATOM 1894 C GLU 111 6.812 -3.725 -10.564 1.00 12.42 A ATOM 1895 O GLU 111 7.204 -3.390 -9.447 1.00 51.43 A ATOM 1896 N GLU 112 6.342 -2.859 -11.457 1.00 34.14 A ATOM 1897 HN GLU 112 6.046 -3.187 -12.331 1.00 32.31 A ATOM 1898 CA GLU 112 6.258 -1.433 -11.166 1.00 11.40 A ATOM 1899 HA GLU 112 7.261 -1.070 -10.994 1.00 51.23 A ATOM 1900 CB GLU 112 5.655 -0.682 -12.355 1.00 4.11 A ATOM 1901 HB1 GLU 112 4.595 -0.881 -12.390 1.00 35.43 A ATOM 1902 HB2 GLU 112 6.111 -1.046 -13.265 1.00 73.10 A ATOM 1903 CG GLU 112 5.854 0.823 -12.291 1.00 25.15 A ATOM 1904 HG1 GLU 112 5.613 1.163 -11.294 1.00 63.42 A ATOM 1905 HG2 GLU 112 5.191 1.293 -13.000 1.00 32.22 A ATOM 1906 CD GLU 112 7.278 1.237 -12.611 1.00 74.34 A ATOM 1907 OE1 GLU 112 7.755 0.911 -13.718 1.00 20.10 A ATOM 1908 OE2 GLU 112 7.915 1.886 -11.756 1.00 33.43 A ATOM 1909 C GLU 112 5.422 -1.181 -9.915 1.00 44.51 A ATOM 1910 O GLU 112 5.768 -0.341 -9.084 1.00 5.44 A ATOM 1911 N ALA 113 4.322 -1.914 -9.788 1.00 75.10 A ATOM 1912 HN ALA 113 4.101 -2.567 -10.483 1.00 34.44 A ATOM 1913 CA ALA 113 3.437 -1.772 -8.637 1.00 3.20 A ATOM 1914 HA ALA 113 2.972 -0.798 -8.692 1.00 70.02 A ATOM 1915 CB ALA 113 2.340 -2.824 -8.683 1.00 12.55 A ATOM 1916 HB1 ALA 113 2.526 -3.503 -9.503 1.00 11.15 A ATOM 1917 HB2 ALA 113 2.329 -3.373 -7.753 1.00 64.43 A ATOM 1918 HB3 ALA 113 1.385 -2.340 -8.826 1.00 60.43 A ATOM 1919 C ALA 113 4.216 -1.874 -7.331 1.00 0.41 A ATOM 1920 O ALA 113 3.876 -1.224 -6.340 1.00 51.43 A ATOM 1921 N LEU 114 5.261 -2.693 -7.332 1.00 25.11 A ATOM 1922 HN LEU 114 5.483 -3.184 -8.151 1.00 42.02 A ATOM 1923 CA LEU 114 6.089 -2.881 -6.145 1.00 51.22 A ATOM 1924 HA LEU 114 5.432 -2.953 -5.291 1.00 72.54 A ATOM 1925 CB LEU 114 6.899 -4.173 -6.264 1.00 24.41 A ATOM 1926 HB1 LEU 114 7.185 -4.475 -5.265 1.00 41.04 A ATOM 1927 HB2 LEU 114 7.784 -3.957 -6.840 1.00 23.31 A ATOM 1928 CG LEU 114 6.187 -5.354 -6.924 1.00 14.22 A ATOM 1929 HG LEU 114 5.899 -5.076 -7.930 1.00 65.40 A ATOM 1930 CD1 LEU 114 7.114 -6.555 -7.015 1.00 43.45 A ATOM 1931 HD11 LEU 114 6.846 -7.276 -6.259 1.00 34.01 A ATOM 1932 HD12 LEU 114 8.134 -6.234 -6.861 1.00 51.31 A ATOM 1933 HD13 LEU 114 7.024 -7.006 -7.994 1.00 5.12 A ATOM 1934 CD2 LEU 114 4.922 -5.712 -6.155 1.00 40.03 A ATOM 1935 HD21 LEU 114 4.466 -6.583 -6.602 1.00 71.01 A ATOM 1936 HD22 LEU 114 4.230 -4.883 -6.195 1.00 1.00 A ATOM 1937 HD23 LEU 114 5.175 -5.924 -5.128 1.00 0.21 A ATOM 1938 C LEU 114 7.028 -1.696 -5.944 1.00 40.12 A ATOM 1939 O LEU 114 7.290 -1.283 -4.814 1.00 43.04 A ATOM 1940 N LYS 115 7.530 -1.151 -7.047 1.00 64.11 A ATOM 1941 HN LYS 115 7.284 -1.525 -7.919 1.00 11.24 A ATOM 1942 CA LYS 115 8.438 -0.011 -6.992 1.00 54.00 A ATOM 1943 HA LYS 115 9.278 -0.285 -6.372 1.00 14.53 A ATOM 1944 CB LYS 115 8.945 0.331 -8.395 1.00 35.40 A ATOM 1945 HB1 LYS 115 9.819 0.959 -8.306 1.00 23.35 A ATOM 1946 HB2 LYS 115 8.175 0.875 -8.922 1.00 32.24 A ATOM 1947 CG LYS 115 9.316 -0.889 -9.221 1.00 52.42 A ATOM 1948 HG1 LYS 115 9.792 -0.562 -10.136 1.00 2.44 A ATOM 1949 HG2 LYS 115 8.417 -1.439 -9.459 1.00 4.42 A ATOM 1950 CD LYS 115 10.268 -1.804 -8.470 1.00 3.54 A ATOM 1951 HD1 LYS 115 9.724 -2.300 -7.677 1.00 23.50 A ATOM 1952 HD2 LYS 115 11.063 -1.210 -8.044 1.00 22.14 A ATOM 1953 CE LYS 115 10.874 -2.853 -9.387 1.00 22.43 A ATOM 1954 HE1 LYS 115 10.079 -3.467 -9.785 1.00 44.42 A ATOM 1955 HE2 LYS 115 11.550 -3.468 -8.812 1.00 23.51 A ATOM 1956 NZ LYS 115 11.623 -2.236 -10.517 1.00 62.22 A ATOM 1957 HZ1 LYS 115 10.966 -1.737 -11.151 1.00 22.31 A ATOM 1958 HZ2 LYS 115 12.120 -2.971 -11.059 1.00 52.23 A ATOM 1959 HZ3 LYS 115 12.322 -1.557 -10.154 1.00 45.52 A ATOM 1960 C LYS 115 7.749 1.204 -6.380 1.00 54.11 A ATOM 1961 O LYS 115 8.263 1.813 -5.441 1.00 70.24 A ATOM 1962 N ILE 116 6.583 1.550 -6.916 1.00 11.24 A ATOM 1963 HN ILE 116 6.226 1.026 -7.662 1.00 20.22 A ATOM 1964 CA ILE 116 5.823 2.691 -6.419 1.00 22.31 A ATOM 1965 HA ILE 116 6.386 3.587 -6.637 1.00 61.42 A ATOM 1966 CB ILE 116 4.453 2.798 -7.111 1.00 53.23 A ATOM 1967 HB ILE 116 3.884 1.913 -6.872 1.00 34.23 A ATOM 1968 CG1 ILE 116 4.629 2.886 -8.628 1.00 15.33 A ATOM 1969 HG11 ILE 116 3.656 2.970 -9.091 1.00 11.22 A ATOM 1970 HG12 ILE 116 5.114 1.990 -8.980 1.00 72.13 A ATOM 1971 CG2 ILE 116 3.690 4.007 -6.590 1.00 35.40 A ATOM 1972 HG21 ILE 116 2.796 3.676 -6.079 1.00 62.32 A ATOM 1973 HG22 ILE 116 4.313 4.557 -5.901 1.00 72.30 A ATOM 1974 HG23 ILE 116 3.416 4.644 -7.416 1.00 54.00 A ATOM 1975 CD1 ILE 116 5.460 4.070 -9.073 1.00 35.40 A ATOM 1976 HD11 ILE 116 4.905 4.648 -9.797 1.00 61.34 A ATOM 1977 HD12 ILE 116 5.691 4.688 -8.218 1.00 61.22 A ATOM 1978 HD13 ILE 116 6.377 3.717 -9.521 1.00 20.50 A ATOM 1979 C ILE 116 5.614 2.597 -4.910 1.00 62.15 A ATOM 1980 O ILE 116 5.677 3.601 -4.201 1.00 73.53 A ATOM 1981 N VAL 117 5.366 1.383 -4.427 1.00 45.54 A ATOM 1982 HN VAL 117 5.329 0.622 -5.044 1.00 40.34 A ATOM 1983 CA VAL 117 5.149 1.157 -3.003 1.00 42.14 A ATOM 1984 HA VAL 117 4.322 1.777 -2.689 1.00 31.44 A ATOM 1985 CB VAL 117 4.790 -0.313 -2.718 1.00 52.22 A ATOM 1986 HB VAL 117 5.601 -0.935 -3.064 1.00 63.41 A ATOM 1987 CG1 VAL 117 4.620 -0.540 -1.223 1.00 21.13 A ATOM 1988 HG11 VAL 117 3.855 -1.285 -1.056 1.00 44.33 A ATOM 1989 HG12 VAL 117 5.556 -0.882 -0.803 1.00 53.34 A ATOM 1990 HG13 VAL 117 4.329 0.386 -0.749 1.00 31.34 A ATOM 1991 CG2 VAL 117 3.528 -0.708 -3.471 1.00 32.14 A ATOM 1992 HG21 VAL 117 2.679 -0.648 -2.806 1.00 53.12 A ATOM 1993 HG22 VAL 117 3.381 -0.037 -4.305 1.00 45.23 A ATOM 1994 HG23 VAL 117 3.629 -1.719 -3.837 1.00 44.05 A ATOM 1995 C VAL 117 6.386 1.533 -2.194 1.00 53.03 A ATOM 1996 O VAL 117 6.277 2.073 -1.092 1.00 71.30 A ATOM 1997 N ARG 118 7.558 1.245 -2.747 1.00 63.42 A ATOM 1998 HN ARG 118 7.580 0.814 -3.627 1.00 54.35 A ATOM 1999 CA ARG 118 8.816 1.552 -2.076 1.00 24.24 A ATOM 2000 HA ARG 118 8.794 1.086 -1.101 1.00 31.01 A ATOM 2001 CB ARG 118 9.995 0.988 -2.870 1.00 62.00 A ATOM 2002 HB1 ARG 118 10.912 1.381 -2.459 1.00 44.23 A ATOM 2003 HB2 ARG 118 9.905 1.306 -3.898 1.00 50.34 A ATOM 2004 CG ARG 118 10.074 -0.530 -2.848 1.00 51.34 A ATOM 2005 HG1 ARG 118 9.303 -0.931 -3.488 1.00 42.23 A ATOM 2006 HG2 ARG 118 9.920 -0.874 -1.835 1.00 64.03 A ATOM 2007 CD ARG 118 11.428 -1.024 -3.334 1.00 42.21 A ATOM 2008 HD1 ARG 118 11.734 -0.421 -4.177 1.00 75.32 A ATOM 2009 HD2 ARG 118 11.329 -2.053 -3.645 1.00 62.20 A ATOM 2010 NE ARG 118 12.448 -0.938 -2.294 1.00 71.50 A ATOM 2011 HE ARG 118 12.274 -0.343 -1.536 1.00 45.52 A ATOM 2012 CZ ARG 118 13.588 -1.622 -2.323 1.00 14.25 A ATOM 2013 NH1 ARG 118 13.849 -2.436 -3.335 1.00 71.14 A ATOM 2014 HH11 ARG 118 13.189 -2.536 -4.079 1.00 74.04 A ATOM 2015 HH12 ARG 118 14.708 -2.949 -3.357 1.00 13.42 A ATOM 2016 NH2 ARG 118 14.466 -1.491 -1.338 1.00 1.34 A ATOM 2017 HH21 ARG 118 14.272 -0.878 -0.572 1.00 51.45 A ATOM 2018 HH22 ARG 118 15.324 -2.005 -1.361 1.00 34.44 A ATOM 2019 C ARG 118 8.982 3.058 -1.896 1.00 4.00 A ATOM 2020 O ARG 118 9.574 3.514 -0.918 1.00 50.43 A ATOM 2021 N GLU 119 8.457 3.824 -2.849 1.00 24.54 A ATOM 2022 HN GLU 119 7.998 3.401 -3.604 1.00 34.54 A ATOM 2023 CA GLU 119 8.550 5.278 -2.796 1.00 61.21 A ATOM 2024 HA GLU 119 9.588 5.539 -2.646 1.00 70.24 A ATOM 2025 CB GLU 119 8.069 5.890 -4.113 1.00 34.31 A ATOM 2026 HB1 GLU 119 7.989 6.960 -3.989 1.00 62.24 A ATOM 2027 HB2 GLU 119 7.092 5.490 -4.345 1.00 75.05 A ATOM 2028 CG GLU 119 8.990 5.612 -5.288 1.00 24.34 A ATOM 2029 HG1 GLU 119 8.413 5.652 -6.200 1.00 23.23 A ATOM 2030 HG2 GLU 119 9.412 4.624 -5.172 1.00 2.05 A ATOM 2031 CD GLU 119 10.125 6.612 -5.387 1.00 44.34 A ATOM 2032 OE1 GLU 119 11.284 6.224 -5.122 1.00 14.22 A ATOM 2033 OE2 GLU 119 9.857 7.783 -5.729 1.00 72.25 A ATOM 2034 C GLU 119 7.732 5.834 -1.633 1.00 73.42 A ATOM 2035 O GLU 119 8.231 6.620 -0.829 1.00 34.11 A ATOM 2036 N PHE 120 6.471 5.420 -1.555 1.00 24.44 A ATOM 2037 HN PHE 120 6.132 4.792 -2.227 1.00 1.04 A ATOM 2038 CA PHE 120 5.582 5.876 -0.492 1.00 3.51 A ATOM 2039 HA PHE 120 5.409 6.931 -0.637 1.00 44.45 A ATOM 2040 CB PHE 120 4.245 5.136 -0.565 1.00 0.32 A ATOM 2041 HB1 PHE 120 3.619 5.460 0.254 1.00 73.32 A ATOM 2042 HB2 PHE 120 4.425 4.075 -0.478 1.00 51.22 A ATOM 2043 CG PHE 120 3.496 5.374 -1.845 1.00 2.31 A ATOM 2044 CD1 PHE 120 2.882 4.325 -2.509 1.00 61.11 A ATOM 2045 HD1 PHE 120 2.945 3.327 -2.096 1.00 45.33 A ATOM 2046 CD2 PHE 120 3.408 6.648 -2.384 1.00 71.52 A ATOM 2047 HD2 PHE 120 3.882 7.473 -1.874 1.00 41.45 A ATOM 2048 CE1 PHE 120 2.192 4.540 -3.686 1.00 51.41 A ATOM 2049 HE1 PHE 120 1.719 3.713 -4.195 1.00 4.22 A ATOM 2050 CE2 PHE 120 2.719 6.869 -3.561 1.00 12.25 A ATOM 2051 HE2 PHE 120 2.656 7.866 -3.971 1.00 11.11 A ATOM 2052 CZ PHE 120 2.111 5.814 -4.213 1.00 54.34 A ATOM 2053 HZ PHE 120 1.571 5.985 -5.134 1.00 44.11 A ATOM 2054 C PHE 120 6.220 5.667 0.879 1.00 43.13 A ATOM 2055 O PHE 120 6.345 6.604 1.665 1.00 0.25 A ATOM 2056 N MET 121 6.620 4.431 1.155 1.00 71.53 A ATOM 2057 HN MET 121 6.495 3.725 0.486 1.00 15.01 A ATOM 2058 CA MET 121 7.245 4.098 2.431 1.00 74.53 A ATOM 2059 HA MET 121 6.515 4.262 3.210 1.00 62.25 A ATOM 2060 CB MET 121 7.667 2.627 2.447 1.00 3.33 A ATOM 2061 HB1 MET 121 8.452 2.499 3.177 1.00 23.44 A ATOM 2062 HB2 MET 121 8.047 2.363 1.472 1.00 50.13 A ATOM 2063 CG MET 121 6.535 1.673 2.793 1.00 42.45 A ATOM 2064 HG1 MET 121 5.806 1.700 1.995 1.00 21.53 A ATOM 2065 HG2 MET 121 6.073 2.001 3.711 1.00 41.33 A ATOM 2066 SD MET 121 7.099 -0.026 3.005 1.00 4.12 A ATOM 2067 CE MET 121 7.920 -0.309 1.438 1.00 44.33 A ATOM 2068 HE1 MET 121 7.650 -1.284 1.060 1.00 13.50 A ATOM 2069 HE2 MET 121 7.617 0.449 0.732 1.00 64.35 A ATOM 2070 HE3 MET 121 8.992 -0.262 1.579 1.00 54.40 A ATOM 2071 C MET 121 8.454 4.989 2.693 1.00 50.42 A ATOM 2072 O MET 121 8.739 5.343 3.836 1.00 75.22 A ATOM 2073 N GLN 122 9.162 5.349 1.626 1.00 21.33 A ATOM 2074 HN GLN 122 8.884 5.035 0.740 1.00 32.30 A ATOM 2075 CA GLN 122 10.340 6.198 1.742 1.00 42.40 A ATOM 2076 HA GLN 122 10.983 5.771 2.498 1.00 41.34 A ATOM 2077 CB GLN 122 11.096 6.243 0.413 1.00 51.52 A ATOM 2078 HB1 GLN 122 10.551 6.872 -0.276 1.00 42.11 A ATOM 2079 HB2 GLN 122 11.150 5.244 0.009 1.00 23.51 A ATOM 2080 CG GLN 122 12.511 6.786 0.536 1.00 14.13 A ATOM 2081 HG1 GLN 122 12.932 6.448 1.470 1.00 21.24 A ATOM 2082 HG2 GLN 122 12.470 7.865 0.530 1.00 5.34 A ATOM 2083 CD GLN 122 13.412 6.330 -0.595 1.00 33.10 A ATOM 2084 OE1 GLN 122 13.585 7.036 -1.588 1.00 41.34 A ATOM 2085 NE2 GLN 122 13.989 5.143 -0.450 1.00 54.12 A ATOM 2086 HE21 GLN 122 13.803 4.635 0.367 1.00 74.15 A ATOM 2087 HE22 GLN 122 14.575 4.823 -1.166 1.00 54.24 A ATOM 2088 C GLN 122 9.954 7.611 2.169 1.00 64.43 A ATOM 2089 O GLN 122 10.621 8.224 3.002 1.00 32.31 A ATOM 2090 N LYS 123 8.871 8.122 1.592 1.00 44.23 A ATOM 2091 HN LYS 123 8.381 7.584 0.934 1.00 10.54 A ATOM 2092 CA LYS 123 8.394 9.462 1.912 1.00 11.11 A ATOM 2093 HA LYS 123 9.234 10.137 1.849 1.00 54.41 A ATOM 2094 CB LYS 123 7.326 9.899 0.908 1.00 40.22 A ATOM 2095 HB1 LYS 123 6.772 10.727 1.325 1.00 3.35 A ATOM 2096 HB2 LYS 123 6.650 9.074 0.738 1.00 54.50 A ATOM 2097 CG LYS 123 7.894 10.334 -0.432 1.00 52.40 A ATOM 2098 HG1 LYS 123 8.774 9.746 -0.649 1.00 22.21 A ATOM 2099 HG2 LYS 123 8.162 11.379 -0.377 1.00 52.12 A ATOM 2100 CD LYS 123 6.886 10.144 -1.553 1.00 51.11 A ATOM 2101 HD1 LYS 123 6.120 10.901 -1.469 1.00 40.23 A ATOM 2102 HD2 LYS 123 6.439 9.165 -1.463 1.00 1.22 A ATOM 2103 CE LYS 123 7.544 10.258 -2.921 1.00 21.24 A ATOM 2104 HE1 LYS 123 6.964 9.690 -3.633 1.00 62.31 A ATOM 2105 HE2 LYS 123 8.541 9.849 -2.861 1.00 31.33 A ATOM 2106 NZ LYS 123 7.627 11.672 -3.380 1.00 60.34 A ATOM 2107 HZ1 LYS 123 7.282 12.310 -2.634 1.00 53.24 A ATOM 2108 HZ2 LYS 123 7.046 11.805 -4.232 1.00 54.21 A ATOM 2109 HZ3 LYS 123 8.612 11.918 -3.604 1.00 23.20 A ATOM 2110 C LYS 123 7.827 9.514 3.328 1.00 33.31 A ATOM 2111 O LYS 123 8.098 10.448 4.082 1.00 53.03 A ATOM 2112 N ALA 124 7.040 8.503 3.681 1.00 5.34 A ATOM 2113 HN ALA 124 6.861 7.788 3.037 1.00 34.23 A ATOM 2114 CA ALA 124 6.438 8.432 5.008 1.00 44.41 A ATOM 2115 HA ALA 124 5.799 9.295 5.130 1.00 61.13 A ATOM 2116 CB ALA 124 5.576 7.184 5.130 1.00 12.32 A ATOM 2117 HB1 ALA 124 5.780 6.699 6.073 1.00 70.33 A ATOM 2118 HB2 ALA 124 4.534 7.461 5.084 1.00 1.14 A ATOM 2119 HB3 ALA 124 5.806 6.508 4.319 1.00 2.23 A ATOM 2120 C ALA 124 7.505 8.450 6.096 1.00 25.42 A ATOM 2121 O ALA 124 7.234 8.817 7.239 1.00 14.44 A ATOM 2122 N GLY 125 8.720 8.048 5.736 1.00 45.14 A ATOM 2123 HN GLY 125 8.877 7.766 4.809 1.00 24.34 A ATOM 2124 CA GLY 125 9.809 8.024 6.694 1.00 12.42 A ATOM 2125 HA1 GLY 125 10.714 7.724 6.186 1.00 14.32 A ATOM 2126 HA2 GLY 125 9.582 7.300 7.462 1.00 1.24 A ATOM 2127 C GLY 125 10.038 9.374 7.343 1.00 3.35 A ATOM 2128 O GLY 125 10.431 9.451 8.508 1.00 53.44 A ATOM 2129 N SER 126 9.795 10.442 6.590 1.00 71.34 A ATOM 2130 HN SER 126 9.484 10.315 5.669 1.00 52.14 A ATOM 2131 CA SER 126 9.983 11.795 7.098 1.00 52.41 A ATOM 2132 HA SER 126 10.945 11.836 7.587 1.00 30.53 A ATOM 2133 CB SER 126 9.967 12.802 5.947 1.00 53.20 A ATOM 2134 HB1 SER 126 9.109 12.612 5.318 1.00 33.14 A ATOM 2135 HB2 SER 126 10.870 12.695 5.365 1.00 74.44 A ATOM 2136 OG SER 126 9.893 14.131 6.431 1.00 12.44 A ATOM 2137 HG SER 126 10.201 14.738 5.755 1.00 22.44 A ATOM 2138 C SER 126 8.900 12.150 8.114 1.00 24.31 A ATOM 2139 O SER 126 9.128 12.939 9.032 1.00 30.21 A ATOM 2140 N LEU 127 7.723 11.561 7.941 1.00 20.15 A ATOM 2141 HN LEU 127 7.601 10.942 7.192 1.00 31.11 A ATOM 2142 CA LEU 127 6.602 11.813 8.843 1.00 4.10 A ATOM 2143 HA LEU 127 6.572 12.874 9.044 1.00 72.45 A ATOM 2144 CB LEU 127 5.288 11.393 8.183 1.00 75.30 A ATOM 2145 HB1 LEU 127 4.482 11.887 8.709 1.00 25.45 A ATOM 2146 HB2 LEU 127 5.188 10.324 8.297 1.00 2.45 A ATOM 2147 CG LEU 127 5.149 11.719 6.697 1.00 53.42 A ATOM 2148 HG LEU 127 5.864 11.133 6.136 1.00 12.51 A ATOM 2149 CD1 LEU 127 3.757 11.359 6.199 1.00 65.25 A ATOM 2150 HD11 LEU 127 3.023 11.948 6.726 1.00 52.22 A ATOM 2151 HD12 LEU 127 3.571 10.310 6.377 1.00 25.33 A ATOM 2152 HD13 LEU 127 3.690 11.561 5.140 1.00 41.34 A ATOM 2153 CD2 LEU 127 5.443 13.191 6.444 1.00 34.10 A ATOM 2154 HD21 LEU 127 5.477 13.717 7.385 1.00 1.44 A ATOM 2155 HD22 LEU 127 4.662 13.612 5.825 1.00 43.55 A ATOM 2156 HD23 LEU 127 6.393 13.287 5.941 1.00 24.15 A ATOM 2157 C LEU 127 6.785 11.067 10.160 1.00 0.40 A ATOM 2158 O LEU 127 6.307 11.508 11.206 1.00 52.45 A ATOM 2159 N GLU 128 7.482 9.937 10.104 1.00 73.42 A ATOM 2160 HN GLU 128 7.838 9.637 9.241 1.00 4.02 A ATOM 2161 CA GLU 128 7.729 9.131 11.293 1.00 43.01 A ATOM 2162 HA GLU 128 6.827 9.132 11.887 1.00 51.12 A ATOM 2163 CB GLU 128 8.063 7.690 10.901 1.00 0.54 A ATOM 2164 HB1 GLU 128 8.580 7.218 11.723 1.00 22.43 A ATOM 2165 HB2 GLU 128 8.714 7.707 10.040 1.00 24.20 A ATOM 2166 CG GLU 128 6.842 6.853 10.562 1.00 72.34 A ATOM 2167 HG1 GLU 128 6.217 7.410 9.878 1.00 3.21 A ATOM 2168 HG2 GLU 128 6.293 6.655 11.470 1.00 74.11 A ATOM 2169 CD GLU 128 7.204 5.529 9.916 1.00 65.21 A ATOM 2170 OE1 GLU 128 6.307 4.896 9.319 1.00 44.14 A ATOM 2171 OE2 GLU 128 8.381 5.125 10.009 1.00 45.34 A ATOM 2172 C GLU 128 8.865 9.721 12.123 1.00 32.32 A ATOM 2173 O GLU 128 9.167 9.237 13.216 1.00 50.14 A ATOM 2174 N HIS 129 9.492 10.768 11.598 1.00 52.54 A ATOM 2175 HN HIS 129 9.205 11.108 10.724 1.00 2.15 A ATOM 2176 CA HIS 129 10.595 11.425 12.290 1.00 3.05 A ATOM 2177 HA HIS 129 11.425 10.734 12.323 1.00 51.14 A ATOM 2178 CB HIS 129 11.025 12.681 11.531 1.00 0.34 A ATOM 2179 HB1 HIS 129 10.406 13.511 11.842 1.00 61.12 A ATOM 2180 HB2 HIS 129 10.894 12.517 10.473 1.00 15.10 A ATOM 2181 CG HIS 129 12.455 13.061 11.764 1.00 22.02 A ATOM 2182 ND1 HIS 129 12.832 14.178 12.479 1.00 52.33 A ATOM 2183 HD1 HIS 129 12.223 14.822 12.896 1.00 34.11 A ATOM 2184 CD2 HIS 129 13.605 12.463 11.371 1.00 54.41 A ATOM 2185 HD2 HIS 129 13.691 11.557 10.788 1.00 22.21 A ATOM 2186 CE1 HIS 129 14.149 14.253 12.515 1.00 62.50 A ATOM 2187 HE1 HIS 129 14.726 15.023 13.005 1.00 70.33 A ATOM 2188 NE2 HIS 129 14.644 13.223 11.851 1.00 11.35 A ATOM 2189 HE2 HIS 129 15.591 13.087 11.643 1.00 37.36 A ATOM 2190 C HIS 129 10.202 11.788 13.719 1.00 14.31 A ATOM 2191 O HIS 129 9.031 11.703 14.091 1.00 21.22 A ATOM 2192 N HIS 130 11.188 12.193 14.514 1.00 54.35 A ATOM 2193 HN HIS 130 12.099 12.241 14.159 1.00 34.45 A ATOM 2194 CA HIS 130 10.944 12.569 15.902 1.00 52.45 A ATOM 2195 HA HIS 130 11.897 12.778 16.361 1.00 30.32 A ATOM 2196 CB HIS 130 10.074 13.826 15.966 1.00 4.25 A ATOM 2197 HB1 HIS 130 9.034 13.541 15.896 1.00 4.54 A ATOM 2198 HB2 HIS 130 10.323 14.471 15.136 1.00 31.32 A ATOM 2199 CG HIS 130 10.253 14.613 17.229 1.00 1.12 A ATOM 2200 ND1 HIS 130 9.527 15.749 17.517 1.00 54.32 A ATOM 2201 HD1 HIS 130 8.840 16.150 16.944 1.00 22.20 A ATOM 2202 CD2 HIS 130 11.082 14.421 18.282 1.00 73.12 A ATOM 2203 HD2 HIS 130 11.797 13.619 18.398 1.00 54.13 A ATOM 2204 CE1 HIS 130 9.902 16.223 18.691 1.00 71.12 A ATOM 2205 HE1 HIS 130 9.505 17.104 19.174 1.00 74.01 A ATOM 2206 NE2 HIS 130 10.843 15.435 19.178 1.00 74.40 A ATOM 2207 HE2 HIS 130 11.229 15.503 20.075 1.00 37.36 A ATOM 2208 C HIS 130 10.269 11.431 16.663 1.00 42.45 A ATOM 2209 O HIS 130 9.278 11.640 17.363 1.00 41.41 A ATOM 2210 N HIS 131 10.813 10.227 16.520 1.00 61.13 A ATOM 2211 HN HIS 131 11.602 10.124 15.948 1.00 21.21 A ATOM 2212 CA HIS 131 10.264 9.056 17.195 1.00 64.53 A ATOM 2213 HA HIS 131 9.823 9.384 18.122 1.00 21.24 A ATOM 2214 CB HIS 131 9.182 8.405 16.331 1.00 3.03 A ATOM 2215 HB1 HIS 131 9.634 8.019 15.430 1.00 51.14 A ATOM 2216 HB2 HIS 131 8.445 9.149 16.070 1.00 14.12 A ATOM 2217 CG HIS 131 8.473 7.275 17.012 1.00 61.24 A ATOM 2218 ND1 HIS 131 8.202 6.074 16.392 1.00 60.22 A ATOM 2219 HD1 HIS 131 8.436 5.841 15.469 1.00 14.04 A ATOM 2220 CD2 HIS 131 7.980 7.167 18.268 1.00 50.25 A ATOM 2221 HD2 HIS 131 8.016 7.924 19.038 1.00 12.43 A ATOM 2222 CE1 HIS 131 7.572 5.277 17.236 1.00 62.03 A ATOM 2223 HE1 HIS 131 7.233 4.273 17.024 1.00 3.43 A ATOM 2224 NE2 HIS 131 7.425 5.916 18.381 1.00 5.50 A ATOM 2225 HE2 HIS 131 7.074 5.521 19.207 1.00 37.36 A ATOM 2226 C HIS 131 11.364 8.042 17.503 1.00 55.52 A ATOM 2227 O HIS 131 12.319 7.896 16.741 1.00 24.44 A ATOM 2228 N HIS 132 11.220 7.346 18.627 1.00 13.31 A ATOM 2229 HN HIS 132 10.438 7.508 19.192 1.00 15.22 A ATOM 2230 CA HIS 132 12.200 6.347 19.037 1.00 32.11 A ATOM 2231 HA HIS 132 13.134 6.855 19.223 1.00 13.33 A ATOM 2232 CB HIS 132 11.746 5.654 20.322 1.00 31.31 A ATOM 2233 HB1 HIS 132 12.390 4.808 20.514 1.00 23.03 A ATOM 2234 HB2 HIS 132 10.731 5.306 20.195 1.00 22.33 A ATOM 2235 CG HIS 132 11.780 6.543 21.526 1.00 44.03 A ATOM 2236 ND1 HIS 132 10.765 7.421 21.843 1.00 23.13 A ATOM 2237 HD1 HIS 132 9.942 7.553 21.329 1.00 73.44 A ATOM 2238 CD2 HIS 132 12.715 6.685 22.495 1.00 12.55 A ATOM 2239 HD2 HIS 132 13.652 6.150 22.568 1.00 62.12 A ATOM 2240 CE1 HIS 132 11.075 8.066 22.953 1.00 54.22 A ATOM 2241 HE1 HIS 132 10.468 8.816 23.438 1.00 20.35 A ATOM 2242 NE2 HIS 132 12.253 7.638 23.370 1.00 33.11 A ATOM 2243 HE2 HIS 132 12.761 8.018 24.117 1.00 37.36 A ATOM 2244 C HIS 132 12.415 5.313 17.936 1.00 73.01 A ATOM 2245 O HIS 132 11.573 4.442 17.715 1.00 55.11 A ATOM 2246 N HIS 133 13.547 5.415 17.247 1.00 1.52 A ATOM 2247 HN HIS 133 14.179 6.131 17.470 1.00 33.52 A ATOM 2248 CA HIS 133 13.872 4.489 16.169 1.00 44.15 A ATOM 2249 HA HIS 133 13.595 3.497 16.488 1.00 72.45 A ATOM 2250 CB HIS 133 13.085 4.845 14.906 1.00 23.25 A ATOM 2251 HB1 HIS 133 13.630 5.591 14.348 1.00 63.53 A ATOM 2252 HB2 HIS 133 12.124 5.248 15.192 1.00 72.30 A ATOM 2253 CG HIS 133 12.842 3.676 14.002 1.00 34.33 A ATOM 2254 ND1 HIS 133 13.502 3.501 12.805 1.00 31.15 A ATOM 2255 HD1 HIS 133 14.178 4.104 12.431 1.00 54.13 A ATOM 2256 CD2 HIS 133 12.006 2.618 14.127 1.00 1.15 A ATOM 2257 HD2 HIS 133 11.332 2.427 14.950 1.00 4.13 A ATOM 2258 CE1 HIS 133 13.082 2.387 12.232 1.00 11.31 A ATOM 2259 HE1 HIS 133 13.422 1.996 11.284 1.00 4.21 A ATOM 2260 NE2 HIS 133 12.175 1.832 13.014 1.00 42.30 A ATOM 2261 HE2 HIS 133 11.771 0.950 12.874 1.00 37.36 A ATOM 2262 C HIS 133 15.368 4.507 15.870 1.00 64.03 A ATOM 2263 O HIS 133 15.972 5.572 15.726 1.00 75.53 A ATOM 2264 N HIS 134 15.963 3.322 15.778 1.00 61.44 A ATOM 2265 HN HIS 134 15.431 2.509 15.902 1.00 21.02 A ATOM 2266 HA HIS 134 17.886 4.058 15.927 1.00 44.34 A ATOM 2267 CB HIS 134 17.952 1.930 16.134 1.00 51.13 A ATOM 2268 HB1 HIS 134 17.664 1.077 15.537 1.00 54.52 A ATOM 2269 HB2 HIS 134 17.542 1.822 17.128 1.00 1.21 A ATOM 2270 CG HIS 134 19.445 1.928 16.250 1.00 21.12 A ATOM 2271 ND1 HIS 134 20.178 3.058 16.544 1.00 12.11 A ATOM 2272 HD1 HIS 134 19.812 3.953 16.700 1.00 11.24 A ATOM 2273 CD2 HIS 134 20.341 0.924 16.113 1.00 63.20 A ATOM 2274 HD2 HIS 134 20.120 -0.109 15.881 1.00 11.54 A ATOM 2275 CE1 HIS 134 21.463 2.750 16.579 1.00 32.44 A ATOM 2276 HE1 HIS 134 22.271 3.434 16.785 1.00 41.22 A ATOM 2277 NE2 HIS 134 21.588 1.460 16.322 1.00 10.21 A ATOM 2278 HE2 HIS 134 22.425 0.951 16.381 1.00 37.36 A ATOM 2279 CA HIS 134 17.390 3.201 15.496 1.00 2.32 A ATOM 2280 C HIS 134 17.648 3.187 13.992 1.00 11.14 A ATOM 2281 O HIS 134 17.297 2.211 13.332 1.00 54.41 A ATOM 2282 OXT HIS 134 18.212 4.182 13.488 1.00 37.36 A ATOM 2283 X ANI 900 28.469 15.453 -33.135 1.00 0.00 ATOM 2284 Y ANI 900 29.734 14.872 -33.385 1.00 0.00 ATOM 2285 Z ANI 900 29.638 16.048 -32.606 1.00 0.00 ATOM 2286 OO ANI 900 29.333 15.778 -33.519 1.00 0.00 ATOM 2287 X ANI 901 42.862 14.653 -77.626 1.00 0.00 ATOM 2288 Y ANI 901 41.919 14.126 -76.713 1.00 0.00 ATOM 2289 Z ANI 901 41.737 13.942 -78.103 1.00 0.00 ATOM 2290 OO ANI 901 41.872 14.733 -77.507 1.00 0.00 ATOM 2291 OH2 TIP3 1 -21.116 -10.532 -6.777 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 1 -20.495 -11.209 -7.051 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 1 -21.323 -10.750 -5.870 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 2 -17.715 -13.797 -4.642 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 2 -18.657 -13.739 -4.481 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 2 -17.438 -12.891 -4.779 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 3 -19.462 -12.016 -8.017 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 3 -19.038 -12.723 -8.502 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 3 -19.145 -11.215 -8.434 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 4 -16.617 -15.549 -1.030 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 4 -16.477 -16.140 -1.769 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 4 -16.450 -14.676 -1.386 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 5 -20.418 -13.475 -4.056 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 5 -20.659 -12.813 -3.409 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 5 -20.616 -14.309 -3.632 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 6 -23.084 -13.294 -0.578 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 6 -22.997 -12.468 -0.103 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 6 -23.947 -13.624 -0.329 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 7 -20.212 -13.872 -0.715 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 7 -21.113 -13.689 -0.982 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 7 -20.178 -13.613 0.207 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 8 -14.518 -15.827 0.489 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 8 -15.370 -15.589 0.122 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 8 -13.928 -15.844 -0.264 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 9 -14.290 -10.385 -13.861 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 9 -13.546 -9.799 -14.001 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 9 -14.984 -9.817 -13.527 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 10 -17.067 -10.988 -4.700 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 10 -17.224 -10.310 -5.357 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 10 -16.136 -10.916 -4.497 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 11 -26.756 -11.398 3.148 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 11 -25.988 -11.857 3.490 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 11 -26.777 -11.624 2.218 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 12 -20.180 -13.018 1.878 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 12 -20.530 -13.874 2.120 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 12 -19.453 -12.875 2.484 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 13 -16.337 -14.981 3.090 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 13 -17.203 -15.086 3.484 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 13 -15.962 -14.222 3.536 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 14 -16.396 -13.008 -2.318 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 14 -17.044 -12.683 -1.692 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 14 -16.915 -13.448 -2.993 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 15 -17.613 -10.248 -8.899 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 15 -16.960 -10.595 -9.507 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 15 -17.102 -9.759 -8.253 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 16 -22.963 -10.945 0.862 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 16 -22.779 -11.279 1.740 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 16 -22.116 -10.636 0.540 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 17 -22.694 -9.600 -3.844 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 17 -23.151 -9.071 -4.498 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 17 -22.532 -8.997 -3.119 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 18 -20.367 -10.722 -2.899 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 18 -21.271 -10.557 -3.165 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 18 -19.938 -9.869 -2.965 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 19 -15.633 -10.468 -10.890 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 19 -15.828 -11.216 -11.456 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 19 -15.672 -9.710 -11.474 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 20 -21.116 -10.532 12.079 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 20 -20.495 -11.209 11.806 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 20 -21.323 -10.750 12.987 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 21 -21.069 -15.230 9.189 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 21 -21.364 -15.552 8.338 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 21 -21.392 -14.330 9.231 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 22 -17.715 -13.797 14.215 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 22 -18.657 -13.739 14.376 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 22 -17.438 -12.891 14.078 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 23 -19.462 -12.016 10.840 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 23 -19.038 -12.723 10.355 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 23 -19.145 -11.215 10.422 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 24 -18.303 -14.115 9.349 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 24 -18.560 -14.805 8.736 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 24 -18.233 -14.558 10.194 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 25 -20.418 -13.475 14.800 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 25 -20.659 -12.813 15.448 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 25 -20.616 -14.309 15.225 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 26 -22.142 -12.478 9.670 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 26 -21.668 -12.183 10.448 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 26 -22.704 -11.740 9.437 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 27 -14.062 -12.868 19.402 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 27 -14.111 -13.823 19.366 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 27 -14.889 -12.600 19.805 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 28 -16.780 -9.000 20.509 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 28 -16.581 -8.576 19.675 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 28 -16.124 -8.657 21.117 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 29 -21.857 -15.059 5.980 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 29 -22.151 -14.233 6.362 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 29 -22.559 -15.679 6.176 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 30 -16.185 -12.841 6.974 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 30 -16.558 -13.667 7.284 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 30 -15.909 -13.024 6.077 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 31 -26.372 -11.020 9.250 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 31 -27.322 -10.915 9.302 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 31 -26.020 -10.200 9.595 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 32 -18.794 -14.865 4.795 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 32 -18.441 -15.245 5.599 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 32 -19.742 -14.958 4.881 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 33 -18.337 -11.242 18.190 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 33 -18.939 -11.797 17.695 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 33 -18.056 -10.575 17.564 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 34 -24.703 -13.753 3.242 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 34 -24.463 -14.501 2.694 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 34 -24.971 -14.141 4.074 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 35 -25.765 -14.183 5.698 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 35 -25.619 -14.703 6.488 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 35 -25.768 -13.276 6.004 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 36 -23.027 -12.485 6.447 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 36 -23.845 -11.988 6.500 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 36 -22.498 -12.010 5.807 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 37 -25.689 -11.442 6.429 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 37 -25.529 -10.642 5.928 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 37 -25.886 -11.135 7.314 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 38 -22.665 -11.890 3.380 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 38 -23.308 -12.521 3.702 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 38 -21.902 -12.421 3.148 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 39 -21.753 -15.116 3.207 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 39 -22.021 -14.936 4.107 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 39 -21.959 -16.042 3.075 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 40 -15.495 -17.593 3.485 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 40 -15.768 -18.018 2.671 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 40 -15.456 -16.662 3.268 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 41 -24.988 -9.257 5.041 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 41 -24.055 -9.099 5.185 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 41 -25.252 -8.582 4.415 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 42 -14.788 -10.771 17.308 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 42 -15.275 -11.506 16.937 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 42 -14.239 -11.164 17.986 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 43 -15.037 -16.724 7.460 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 43 -14.186 -16.303 7.588 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 43 -15.031 -17.464 8.068 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 44 -16.396 -13.008 16.538 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 44 -17.044 -12.683 17.163 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 44 -16.915 -13.448 15.864 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 45 -17.613 -10.248 9.957 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 45 -16.960 -10.595 9.350 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 45 -17.102 -9.759 10.604 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 46 -20.619 -9.660 18.962 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 46 -19.941 -10.292 18.723 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 46 -20.296 -9.258 19.770 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 47 -22.694 -9.600 15.013 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 47 -23.151 -9.071 14.359 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 47 -22.532 -8.997 15.738 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 48 -20.367 -10.722 15.957 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 48 -21.271 -10.557 15.692 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 48 -19.938 -9.869 15.892 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 49 -16.416 -11.717 20.116 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 49 -17.197 -11.903 19.596 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 49 -16.488 -10.788 20.332 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 50 -18.227 3.219 -25.846 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 50 -18.668 2.499 -25.396 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 50 -18.239 3.940 -25.216 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 51 -14.880 -5.686 -22.881 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 51 -14.832 -5.076 -22.145 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 51 -14.454 -5.225 -23.604 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 52 -14.489 -4.208 -20.645 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 52 -15.178 -3.550 -20.739 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 52 -14.473 -4.405 -19.708 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 53 -17.715 5.059 -23.498 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 53 -18.657 5.117 -23.337 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 53 -17.438 5.965 -23.635 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 54 -14.775 -0.353 -21.821 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 54 -15.427 0.342 -21.732 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 54 -14.310 -0.143 -22.631 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 55 -18.841 -1.347 -20.095 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 55 -18.761 -0.584 -19.523 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 55 -19.442 -1.068 -20.785 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 56 -20.418 5.381 -22.913 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 56 -20.659 6.043 -22.265 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 56 -20.616 4.547 -22.488 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 57 -16.910 -2.519 -17.830 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 57 -17.317 -2.038 -18.550 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 57 -16.869 -3.424 -18.137 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 58 -20.212 4.984 -19.571 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 58 -21.113 5.167 -19.838 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 58 -20.178 5.243 -18.649 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 59 -19.026 0.823 -23.716 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 59 -19.953 0.591 -23.744 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 59 -18.575 0.046 -24.047 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 60 -20.997 3.062 -21.992 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 60 -21.422 2.835 -21.166 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 60 -20.416 2.324 -22.175 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 61 -18.337 7.614 -19.523 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 61 -18.939 7.059 -20.018 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 61 -18.056 8.281 -20.149 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 62 -17.067 7.868 -23.556 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 62 -17.224 8.546 -24.213 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 62 -16.136 7.940 -23.352 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 63 -20.180 5.838 -16.979 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 63 -20.530 4.982 -16.736 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 63 -19.453 5.981 -16.372 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 64 -19.056 2.235 -19.558 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 64 -18.311 2.823 -19.678 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 64 -19.813 2.817 -19.495 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 65 -18.602 0.326 -17.659 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 65 -18.883 1.035 -18.236 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 65 -17.659 0.253 -17.809 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 66 -14.351 8.518 -23.327 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 66 -14.373 8.703 -22.388 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 66 -13.662 9.087 -23.668 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 67 -16.337 3.875 -15.767 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 67 -17.203 3.770 -15.373 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 67 -15.962 4.634 -15.320 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 68 -14.883 2.970 -23.480 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 68 -14.050 2.592 -23.762 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 68 -14.771 3.913 -23.600 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 69 -14.502 -1.421 -17.543 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 69 -15.365 -1.800 -17.708 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 69 -13.899 -2.160 -17.617 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 70 -16.534 -3.130 -23.968 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 70 -15.601 -2.918 -24.002 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 70 -16.768 -3.028 -23.044 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 71 -16.505 -2.393 -21.192 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 71 -17.348 -2.125 -20.826 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 71 -16.061 -1.571 -21.402 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 72 -14.221 -8.413 -15.838 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 72 -13.871 -9.067 -16.444 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 72 -14.075 -7.576 -16.278 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 73 -14.701 -6.304 -17.489 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 73 -15.619 -6.033 -17.524 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 73 -14.579 -6.839 -18.273 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 74 -22.963 7.911 -17.994 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 74 -22.779 7.577 -17.116 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 74 -22.116 8.220 -18.316 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 75 -20.619 9.196 -18.750 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 75 -19.941 8.564 -18.989 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 75 -20.296 9.598 -17.942 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 76 -20.367 8.134 -21.755 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 76 -21.271 8.299 -22.021 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 76 -19.938 8.987 -21.821 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 77 -17.762 9.704 -21.460 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 77 -17.944 10.620 -21.671 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 77 -17.587 9.294 -22.306 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 78 -20.866 1.025 -8.710 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 78 -20.776 1.969 -8.843 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 78 -21.505 0.750 -9.369 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 79 -21.116 8.324 -6.777 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 79 -20.495 7.647 -7.051 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 79 -21.323 8.106 -5.870 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 80 -23.543 2.713 -4.886 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 80 -23.239 2.027 -5.479 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 80 -22.822 2.831 -4.268 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 81 -19.526 -4.661 -8.884 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 81 -18.880 -4.990 -8.259 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 81 -19.015 -4.143 -9.508 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 82 -25.471 -0.845 -7.308 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 82 -24.855 -1.371 -6.799 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 82 -26.058 -1.485 -7.712 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 83 -21.069 3.626 -9.668 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 83 -21.364 3.304 -10.518 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 83 -21.392 4.526 -9.626 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 84 -25.869 1.802 -2.924 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 84 -26.608 2.400 -2.821 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 84 -25.154 2.356 -3.240 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 85 -22.145 0.269 -11.259 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 85 -22.857 0.804 -11.610 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 85 -21.453 0.325 -11.918 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 86 -18.738 0.479 -10.306 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 86 -19.471 0.707 -9.733 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 86 -18.291 -0.235 -9.851 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 87 -25.727 4.537 -5.743 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 87 -25.822 3.959 -6.500 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 87 -24.997 4.166 -5.247 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 88 -26.727 -0.122 -4.790 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 88 -26.162 -0.001 -5.554 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 88 -26.407 0.515 -4.152 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 89 -25.846 4.277 -0.074 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 89 -26.159 5.059 0.382 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 89 -26.497 4.124 -0.760 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 90 -19.867 -0.359 -12.622 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 90 -19.288 -0.209 -11.875 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 90 -19.453 0.112 -13.345 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 91 -22.142 6.378 -9.187 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 91 -21.668 6.673 -8.409 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 91 -22.704 7.116 -9.419 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 92 -16.169 -8.609 -12.809 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 92 -17.069 -8.470 -12.514 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 92 -15.918 -7.778 -13.210 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 93 -23.084 5.562 -0.578 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 93 -22.997 6.388 -0.103 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 93 -23.947 5.232 -0.329 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 94 -22.669 9.334 -10.771 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 94 -22.744 9.213 -11.718 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 94 -22.636 10.284 -10.652 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 95 -22.479 -7.943 -1.607 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 95 -22.059 -8.358 -0.854 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 95 -23.412 -8.121 -1.490 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 96 -18.390 0.674 -14.991 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 96 -18.349 0.451 -15.922 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 96 -17.541 1.072 -14.802 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 97 -27.052 -2.699 -3.886 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 97 -27.694 -2.740 -3.177 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 97 -27.014 -1.773 -4.123 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 98 -21.518 -2.062 -10.157 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 98 -21.927 -1.247 -10.448 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 98 -20.799 -2.202 -10.771 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 99 -20.514 -2.616 -7.343 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 99 -20.709 -2.011 -8.058 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 99 -20.332 -3.450 -7.777 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 100 -24.473 -5.051 -7.888 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 100 -25.383 -4.994 -7.599 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 100 -23.968 -5.111 -7.077 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 101 -20.067 -5.816 -4.623 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 101 -20.744 -5.685 -3.960 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 101 -20.553 -5.971 -5.434 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 102 -23.152 -2.263 -6.001 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 102 -22.588 -2.810 -6.548 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 102 -23.300 -2.785 -5.212 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 103 -24.526 -3.875 -3.587 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 103 -25.361 -3.421 -3.477 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 103 -24.003 -3.599 -2.835 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 104 -22.462 2.522 -0.665 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 104 -22.808 2.141 0.141 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 104 -22.663 3.456 -0.594 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 105 -19.366 -2.981 -12.041 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 105 -18.474 -3.118 -11.723 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 105 -19.309 -2.190 -12.579 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 106 -21.857 3.797 -12.877 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 106 -22.151 4.623 -12.495 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 106 -22.559 3.177 -12.681 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 107 -24.832 -0.389 1.395 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 107 -25.128 -0.555 0.500 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 107 -23.901 -0.609 1.385 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 108 -25.055 2.814 -9.152 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 108 -25.296 3.739 -9.110 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 108 -25.796 2.355 -8.755 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 109 -24.540 6.963 -2.837 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 109 -24.177 7.818 -3.070 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 109 -24.008 6.671 -2.096 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 110 -18.794 3.991 -14.062 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 110 -18.441 3.611 -13.258 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 110 -19.742 3.898 -13.976 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 111 -17.927 2.664 -11.835 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 111 -18.204 1.936 -11.280 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 111 -17.000 2.783 -11.630 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 112 -23.027 6.371 -12.410 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 112 -23.845 6.868 -12.357 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 112 -22.498 6.846 -13.050 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 113 -22.665 6.966 -15.477 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 113 -23.308 6.335 -15.154 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 113 -21.902 6.435 -15.709 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 114 -24.791 2.319 1.915 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 114 -25.119 2.590 1.058 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 114 -24.639 1.378 1.827 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 115 -26.668 -1.442 -0.724 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 115 -27.285 -0.767 -0.442 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 115 -26.323 -1.121 -1.557 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 116 -21.648 1.029 2.554 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 116 -20.694 1.113 2.526 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 116 -21.808 0.318 3.173 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 117 -15.495 1.263 -15.372 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 117 -15.768 0.838 -16.184 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 117 -15.456 2.194 -15.588 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 118 -26.328 -4.087 0.359 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 118 -26.177 -4.816 -0.244 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 118 -26.325 -3.310 -0.200 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 119 -25.916 -5.717 -2.149 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 119 -25.380 -5.266 -2.801 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 119 -26.767 -5.825 -2.571 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 120 -24.334 -0.278 -1.909 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 120 -23.582 -0.434 -2.482 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 120 -24.672 0.574 -2.184 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 121 -25.110 -8.261 -1.716 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 121 -25.207 -7.314 -1.823 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 121 -25.852 -8.633 -2.192 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 122 -23.846 -3.939 1.846 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 122 -24.081 -4.159 2.748 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 122 -24.628 -4.146 1.337 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 123 -24.887 -8.967 0.954 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 123 -24.175 -9.607 0.941 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 123 -24.988 -8.700 0.040 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 124 -24.535 -7.284 3.009 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 124 -24.665 -7.760 2.187 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 124 -25.133 -6.540 2.952 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 125 -24.988 9.599 -13.816 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 125 -24.055 9.757 -13.671 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 125 -25.252 10.274 -14.441 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 126 -16.026 -2.674 -14.631 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 126 -15.928 -2.007 -15.311 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 126 -16.166 -3.490 -15.113 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 127 -16.777 -5.266 -15.514 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 127 -16.168 -5.638 -14.877 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 127 -17.614 -5.688 -15.317 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 128 -17.145 -3.711 -10.547 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 128 -16.866 -4.618 -10.422 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 128 -16.386 -3.277 -10.937 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 129 -16.532 -6.448 -10.498 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 129 -16.349 -6.897 -9.674 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 129 -17.131 -7.033 -10.963 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 130 -14.665 -6.381 -13.971 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 130 -14.252 -7.102 -14.447 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 130 -13.983 -5.711 -13.913 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 131 -22.963 7.911 0.862 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 131 -22.779 7.577 1.740 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 131 -22.116 8.220 0.540 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 132 -22.694 9.256 -3.844 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 132 -23.151 9.785 -4.498 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 132 -22.532 9.859 -3.119 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 133 -22.270 -6.765 -6.490 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 133 -22.945 -7.394 -6.236 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 133 -21.706 -7.249 -7.094 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 134 -19.808 -8.174 -7.207 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 134 -19.732 -8.079 -8.155 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 134 -20.084 -9.082 -7.078 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 135 -18.454 -8.148 -11.514 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 135 -19.157 -7.534 -11.724 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 135 -18.899 -8.986 -11.383 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 136 -22.343 8.825 -13.570 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 136 -21.477 9.191 -13.748 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 136 -22.590 8.385 -14.384 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 137 -21.116 8.324 12.079 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 137 -20.495 7.647 11.806 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 137 -21.323 8.106 12.987 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 138 -23.543 2.713 13.971 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 138 -23.239 2.027 13.377 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 138 -22.822 2.831 14.588 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 139 -25.471 -0.845 11.549 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 139 -24.855 -1.371 12.058 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 139 -26.058 -1.485 11.145 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 140 -14.489 -4.208 17.068 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 140 -15.178 -3.550 16.973 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 140 -14.473 -4.405 18.005 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 141 -21.069 3.626 9.189 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 141 -21.364 3.304 8.338 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 141 -21.392 4.526 9.231 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 142 -17.715 5.059 14.215 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 142 -18.657 5.117 14.376 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 142 -17.438 5.965 14.078 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 143 -24.412 -8.568 13.098 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 143 -24.529 -9.517 13.043 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 143 -25.267 -8.236 13.370 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 144 -19.462 6.840 10.840 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 144 -19.038 6.133 10.355 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 144 -19.145 7.641 10.422 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 145 -16.617 3.307 17.826 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 145 -16.477 2.716 17.087 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 145 -16.450 4.180 17.470 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 146 -18.841 -1.347 17.617 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 146 -18.761 -0.584 18.190 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 146 -19.442 -1.068 16.927 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 147 -27.093 1.109 10.433 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 147 -27.424 0.739 9.614 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 147 -26.505 0.439 10.779 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 148 -26.727 -0.122 14.066 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 148 -26.162 -0.001 13.303 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 148 -26.407 0.515 14.704 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 149 -20.418 5.381 14.800 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 149 -20.659 6.043 15.448 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 149 -20.616 4.547 15.225 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 150 -22.142 6.378 9.670 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 150 -21.668 6.673 10.448 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 150 -22.704 7.116 9.437 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 151 -28.104 0.179 8.021 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 151 -28.395 0.947 7.531 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 151 -28.777 -0.481 7.859 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 152 -14.062 5.988 19.402 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 152 -14.111 5.033 19.366 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 152 -14.889 6.256 19.805 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 153 -22.669 9.334 8.085 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 153 -22.744 9.213 7.139 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 153 -22.636 10.284 8.204 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 154 -19.567 8.488 5.088 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 154 -19.192 7.744 4.617 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 154 -19.563 8.218 6.006 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 155 -19.898 8.414 7.837 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 155 -20.834 8.514 8.015 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 155 -19.619 7.705 8.415 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 156 -22.479 -7.943 17.250 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 156 -22.059 -8.358 18.003 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 156 -23.412 -8.121 17.367 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 157 -19.154 -4.187 18.104 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 157 -19.668 -4.313 18.901 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 157 -19.308 -3.275 17.858 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 158 -27.055 -2.478 9.883 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 158 -27.947 -2.819 9.824 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 158 -26.604 -2.855 9.127 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 159 -22.416 -1.887 20.188 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 159 -22.979 -2.591 20.508 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 159 -21.590 -2.007 20.654 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 160 -25.936 -5.005 3.636 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 160 -26.366 -5.450 4.366 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 160 -26.654 -4.633 3.123 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 161 -24.473 -5.051 10.969 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 161 -25.383 -4.994 11.258 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 161 -23.968 -5.111 11.780 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 162 -25.991 -3.422 7.452 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 162 -25.059 -3.293 7.630 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 162 -26.206 -2.752 6.803 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 163 -20.067 -5.816 14.232 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 163 -20.744 -5.685 14.896 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 163 -20.553 -5.971 13.423 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 164 -27.317 -2.227 5.019 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 164 -27.860 -2.607 4.328 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 164 -26.483 -2.033 4.590 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 165 -23.152 -2.263 12.856 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 165 -22.588 -2.810 12.309 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 165 -23.300 -2.785 13.645 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 166 -28.151 -6.127 9.274 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 166 -28.468 -7.029 9.239 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 166 -27.369 -6.125 8.722 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 167 -24.526 -3.875 15.270 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 167 -25.361 -3.421 15.380 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 167 -24.003 -3.599 16.021 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 168 -22.462 2.522 18.192 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 168 -22.808 2.141 18.998 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 168 -22.663 3.456 18.262 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 169 -21.857 3.797 5.980 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 169 -22.151 4.623 6.362 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 169 -22.559 3.177 6.176 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 170 -20.212 4.984 18.142 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 170 -21.113 5.167 17.873 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 170 -20.178 5.243 19.062 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 171 -26.482 5.151 10.129 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 171 -25.956 5.924 9.928 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 171 -27.363 5.376 9.827 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 172 -25.055 2.814 9.704 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 172 -25.296 3.739 9.747 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 172 -25.796 2.355 10.101 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 173 -20.997 3.062 15.721 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 173 -21.422 2.835 16.547 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 173 -20.416 2.324 15.538 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 174 -18.337 7.614 18.190 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 174 -18.939 7.059 17.695 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 174 -18.056 8.281 17.564 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 175 -24.703 5.103 3.242 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 175 -24.463 4.355 2.694 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 175 -24.971 4.715 4.074 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 176 -25.765 4.673 5.698 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 176 -25.619 4.153 6.488 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 176 -25.768 5.580 6.004 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 177 -29.312 1.926 6.208 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 177 -29.998 2.278 6.775 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 177 -28.790 2.689 5.962 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 178 -21.480 -5.412 16.486 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 178 -20.782 -5.338 17.137 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 178 -21.861 -6.276 16.642 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 179 -23.027 6.371 6.447 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 179 -23.845 6.868 6.500 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 179 -22.498 6.846 5.807 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 180 -22.960 -3.046 17.604 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 180 -22.841 -2.472 18.361 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 180 -22.305 -3.734 17.718 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 181 -26.956 -5.888 6.045 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 181 -27.038 -4.999 6.391 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 181 -26.066 -6.153 6.276 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 182 -16.756 -5.139 18.439 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 182 -17.672 -4.876 18.351 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 182 -16.421 -5.142 17.541 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 183 -17.067 7.868 14.157 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 183 -17.224 8.546 13.500 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 183 -16.136 7.940 14.360 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 184 -22.665 6.966 3.380 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 184 -23.308 6.335 3.702 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 184 -21.902 6.435 3.148 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 185 -27.105 2.693 3.471 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 185 -27.041 1.899 4.002 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 185 -26.453 2.574 2.782 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 186 -19.056 2.235 18.154 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 186 -18.311 2.823 18.035 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 186 -19.813 2.817 18.218 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 187 -25.956 0.665 5.777 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 187 -26.416 0.181 6.463 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 187 -25.701 -0.003 5.141 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 188 -24.886 -1.092 4.040 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 188 -25.066 -1.246 3.112 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 188 -23.934 -0.984 4.084 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 189 -24.334 -0.278 16.948 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 189 -23.582 -0.434 16.375 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 189 -24.672 0.574 16.672 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 190 -19.918 -2.463 21.976 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 190 -19.726 -3.394 21.864 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 190 -19.060 -2.038 21.965 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 191 -18.602 0.326 20.053 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 191 -18.883 1.035 19.476 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 191 -17.659 0.253 19.902 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 192 -21.130 -4.812 19.779 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 192 -22.078 -4.780 19.910 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 192 -20.817 -5.437 20.433 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 193 -14.351 8.518 14.386 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 193 -14.373 8.703 15.325 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 193 -13.662 9.087 14.045 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 194 -14.788 8.085 17.308 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 194 -15.275 7.350 16.937 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 194 -14.239 7.692 17.986 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 195 -16.337 3.875 21.946 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 195 -17.203 3.770 22.340 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 195 -15.962 4.634 22.392 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 196 -16.396 5.848 16.538 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 196 -17.044 6.173 17.163 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 196 -16.915 5.408 15.864 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 197 -14.221 -8.413 21.875 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 197 -13.871 -9.067 21.269 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 197 -14.075 -7.576 21.434 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 198 -14.701 -6.304 20.224 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 198 -15.619 -6.033 20.188 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 198 -14.579 -6.839 19.440 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 199 -17.613 8.608 9.957 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 199 -16.960 8.261 9.350 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 199 -17.102 9.097 10.604 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 200 -17.762 9.704 16.253 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 200 -17.944 10.620 16.041 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 200 -17.587 9.294 15.405 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 201 -22.270 -6.765 12.366 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 201 -22.945 -7.394 12.620 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 201 -21.706 -7.249 11.763 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 202 -25.364 -8.204 10.001 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 202 -24.491 -7.816 9.971 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 202 -25.500 -8.419 10.924 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 203 -19.808 -8.174 11.649 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 203 -19.732 -8.079 10.700 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 203 -20.084 -9.082 11.779 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 204 -22.343 8.825 5.286 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 204 -21.477 9.191 5.108 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 204 -22.590 8.385 4.473 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 205 -19.591 -8.934 21.422 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 205 -19.515 -9.360 22.276 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 205 -18.698 -8.920 21.081 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 206 -16.416 7.139 20.116 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 206 -17.197 6.953 19.596 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 206 -16.488 8.068 20.332 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 207 -19.867 -0.359 25.090 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 207 -19.288 -0.209 25.837 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 207 -19.453 0.112 24.367 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 208 -14.979 5.757 23.280 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 208 -14.906 6.696 23.450 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 208 -14.075 5.452 23.224 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 209 -18.390 0.674 22.721 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 209 -18.349 0.451 21.791 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 209 -17.541 1.072 22.910 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 210 -14.482 -2.771 25.364 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 210 -15.035 -3.167 24.693 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 210 -14.380 -1.861 25.087 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 211 -18.794 3.991 23.651 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 211 -18.441 3.611 24.454 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 211 -19.742 3.898 23.736 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 212 -14.290 8.471 23.852 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 212 -13.546 9.057 23.712 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 212 -14.984 9.039 24.184 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 213 -17.927 2.664 25.877 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 213 -18.204 1.936 26.433 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 213 -17.000 2.783 26.082 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 214 -15.037 2.132 26.316 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 214 -14.186 2.553 26.444 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 214 -15.031 1.392 26.924 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 215 -14.643 0.185 28.140 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 215 -15.368 -0.294 28.538 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 215 -14.061 0.391 28.872 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 216 -14.374 0.086 24.530 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 216 -14.896 0.443 23.812 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 216 -14.407 0.761 25.209 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 217 -16.026 -2.674 23.081 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 217 -15.928 -2.007 22.401 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 217 -16.166 -3.490 22.599 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 218 -16.777 -5.266 22.199 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 218 -16.168 -5.638 22.835 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 218 -17.614 -5.688 22.395 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 219 -14.665 -6.381 23.742 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 219 -14.252 -7.102 23.266 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 219 -13.983 -5.711 23.800 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 220 -14.880 13.170 -22.881 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 220 -14.832 13.780 -22.145 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 220 -14.454 13.631 -23.604 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 221 -14.489 14.648 -20.645 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 221 -15.178 15.306 -20.739 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 221 -14.473 14.451 -19.708 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 222 -17.415 12.201 -22.081 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 222 -18.151 12.812 -22.119 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 222 -16.730 12.616 -22.607 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 223 -14.775 18.503 -21.821 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 223 -15.427 19.198 -21.732 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 223 -14.310 18.713 -22.631 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 224 -18.841 17.509 -20.095 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 224 -18.761 18.272 -19.523 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 224 -19.442 17.788 -20.785 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 225 -16.910 16.337 -17.830 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 225 -17.317 16.818 -18.550 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 225 -16.869 15.432 -18.137 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 226 -19.154 14.669 -19.608 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 226 -19.668 14.543 -18.812 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 226 -19.308 15.581 -19.854 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 227 -16.756 13.717 -19.274 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 227 -17.672 13.980 -19.361 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 227 -16.421 13.714 -20.171 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 228 -19.918 16.393 -15.737 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 228 -19.726 15.462 -15.848 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 228 -19.060 16.818 -15.747 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 229 -18.602 19.182 -17.659 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 229 -18.883 19.891 -18.236 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 229 -17.659 19.109 -17.809 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 230 -21.130 14.044 -17.934 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 230 -22.078 14.076 -17.802 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 230 -20.817 13.419 -17.280 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 231 -19.495 12.678 -15.929 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 231 -19.593 11.726 -15.935 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 231 -19.817 12.947 -15.068 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 232 -15.999 19.532 -18.227 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 232 -15.416 18.798 -18.035 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 232 -15.435 20.304 -18.181 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 233 -14.502 17.435 -17.543 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 233 -15.365 17.056 -17.708 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 233 -13.899 16.696 -17.617 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 234 -16.505 16.463 -21.192 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 234 -17.348 16.731 -20.826 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 234 -16.061 17.285 -21.402 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 235 -17.128 10.198 -25.235 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 235 -16.524 10.746 -25.736 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 235 -17.997 10.518 -25.475 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 236 -19.591 9.922 -16.290 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 236 -19.515 9.496 -15.436 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 236 -18.698 9.936 -16.632 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 237 -19.526 14.195 -8.884 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 237 -18.880 13.866 -8.259 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 237 -19.015 14.713 -9.508 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 238 -17.761 13.486 -6.904 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 238 -17.977 12.720 -6.372 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 238 -17.105 13.958 -6.391 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 239 -17.415 12.201 -3.225 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 239 -18.151 12.812 -3.263 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 239 -16.730 12.616 -3.751 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 240 -14.775 18.503 -2.965 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 240 -15.427 19.198 -2.876 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 240 -14.310 18.713 -3.775 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 241 -16.910 16.337 1.026 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 241 -17.317 16.818 0.306 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 241 -16.869 15.432 0.720 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 242 -22.479 10.913 -1.607 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 242 -22.059 10.498 -0.854 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 242 -23.412 10.735 -1.490 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 243 -19.154 14.669 -0.753 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 243 -19.668 14.543 0.044 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 243 -19.308 15.581 -0.998 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 244 -22.817 13.406 -14.322 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 244 -23.072 13.425 -13.399 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 244 -23.075 12.534 -14.622 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 245 -20.067 13.040 -4.623 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 245 -20.744 13.171 -3.960 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 245 -20.553 12.885 -5.434 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 246 -16.832 20.327 -3.116 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 246 -16.191 20.784 -3.659 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 246 -17.663 20.440 -3.578 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 247 -20.084 14.008 -13.703 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 247 -21.023 14.120 -13.854 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 247 -19.788 14.865 -13.396 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 248 -19.366 15.875 -12.041 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 248 -18.474 15.738 -11.723 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 248 -19.309 16.666 -12.579 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 249 -14.482 16.085 -12.348 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 249 -15.035 15.689 -13.020 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 249 -14.380 16.995 -12.625 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 250 -21.480 13.444 -2.370 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 250 -20.782 13.518 -1.720 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 250 -21.861 12.580 -2.215 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 251 -20.697 13.096 -11.273 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 251 -20.477 13.568 -12.075 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 251 -20.139 13.491 -10.602 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 252 -22.613 11.905 -9.500 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 252 -22.959 12.523 -8.854 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 252 -21.954 12.406 -9.980 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 253 -16.756 13.717 -0.418 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 253 -17.672 13.980 -0.506 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 253 -16.421 13.714 -1.315 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 254 -18.154 17.468 -6.322 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 254 -18.951 17.053 -6.651 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 254 -17.709 16.777 -5.831 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 255 -15.495 20.119 -15.372 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 255 -15.768 19.694 -16.184 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 255 -15.456 21.050 -15.588 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 256 -19.918 16.393 3.119 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 256 -19.726 15.462 3.009 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 256 -19.060 16.818 3.109 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 257 -21.130 14.044 0.922 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 257 -22.078 14.076 1.054 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 257 -20.817 13.419 1.576 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 258 -19.495 12.678 2.927 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 258 -19.593 11.726 2.921 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 258 -19.817 12.947 3.788 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 259 -24.887 9.889 0.954 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 259 -24.175 9.249 0.941 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 259 -24.988 10.156 0.040 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 260 -24.535 11.572 3.009 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 260 -24.665 11.096 2.187 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 260 -25.133 12.316 2.952 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 261 -15.037 20.988 -11.396 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 261 -14.186 21.409 -11.268 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 261 -15.031 20.248 -10.788 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 262 -14.643 19.041 -9.572 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 262 -15.368 18.562 -9.175 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 262 -14.061 19.247 -8.841 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 263 -14.883 21.826 -4.625 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 263 -14.050 21.448 -4.905 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 263 -14.771 22.769 -4.744 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 264 -14.374 18.942 -13.181 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 264 -14.896 19.299 -13.901 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 264 -14.407 19.617 -12.503 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 265 -16.026 16.182 -14.631 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 265 -15.928 16.849 -15.311 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 265 -16.166 15.366 -15.113 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 266 -16.855 17.562 -9.009 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 266 -17.005 16.617 -9.030 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 266 -17.209 17.843 -8.165 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 267 -14.502 17.435 1.313 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 267 -15.365 17.056 1.148 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 267 -13.899 16.696 1.239 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 268 -17.145 15.145 -10.547 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 268 -16.866 14.238 -10.422 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 268 -16.386 15.579 -10.937 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 269 -16.534 15.726 -5.112 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 269 -15.601 15.938 -5.146 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 269 -16.768 15.828 -4.189 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 270 -16.505 16.463 -2.336 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 270 -17.348 16.731 -1.970 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 270 -16.061 17.285 -2.547 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 271 -22.270 12.091 -6.490 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 271 -22.945 11.462 -6.236 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 271 -21.706 11.607 -7.094 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 272 -25.364 10.652 -8.855 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 272 -24.491 11.040 -8.886 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 272 -25.500 10.437 -7.933 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 273 -19.808 10.682 -7.207 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 273 -19.732 10.777 -8.155 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 273 -20.084 9.774 -7.078 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 274 -24.221 12.732 -11.966 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 274 -24.043 12.086 -11.283 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 274 -24.274 13.566 -11.498 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 275 -14.880 13.170 14.832 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 275 -14.832 13.780 15.568 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 275 -14.454 13.631 14.109 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 276 -20.402 15.963 14.299 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 276 -20.259 15.016 14.319 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 276 -20.508 16.170 13.370 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 277 -14.489 14.648 17.068 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 277 -15.178 15.306 16.973 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 277 -14.473 14.451 18.005 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 278 -17.415 12.201 15.632 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 278 -18.151 12.812 15.594 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 278 -16.730 12.616 15.106 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 279 -18.738 19.335 8.550 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 279 -19.471 19.563 9.123 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 279 -18.291 18.621 9.005 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 280 -19.867 18.497 6.235 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 280 -19.288 18.647 6.982 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 280 -19.453 18.968 5.512 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 281 -22.817 13.406 4.535 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 281 -23.072 13.425 5.458 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 281 -23.075 12.534 4.234 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 282 -21.518 16.794 8.700 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 282 -21.927 17.609 8.408 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 282 -20.799 16.654 8.085 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 283 -20.514 16.240 11.514 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 283 -20.709 16.845 10.799 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 283 -20.332 15.406 11.079 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 284 -24.473 13.805 10.969 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 284 -25.383 13.862 11.258 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 284 -23.968 13.745 11.780 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 285 -20.067 13.040 14.232 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 285 -20.744 13.171 14.896 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 285 -20.553 12.885 13.423 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 286 -23.152 16.593 12.856 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 286 -22.588 16.046 12.309 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 286 -23.300 16.071 13.645 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 287 -20.084 14.008 5.154 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 287 -21.023 14.120 5.003 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 287 -19.788 14.865 5.460 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 288 -19.366 15.875 6.815 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 288 -18.474 15.738 7.134 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 288 -19.309 16.666 6.278 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 289 -14.482 16.085 6.509 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 289 -15.035 15.689 5.837 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 289 -14.380 16.995 6.232 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 290 -23.497 14.824 8.419 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 290 -22.684 15.328 8.465 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 290 -23.741 14.679 9.332 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 291 -22.613 11.905 9.357 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 291 -22.959 12.523 10.002 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 291 -21.954 12.406 8.876 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 292 -18.154 17.468 12.535 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 292 -18.951 17.053 12.206 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 292 -17.709 16.777 13.026 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 293 -15.495 20.119 3.485 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 293 -15.768 19.694 2.671 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 293 -15.456 21.050 3.268 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 294 -14.643 19.041 9.284 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 294 -15.368 18.562 9.681 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 294 -14.061 19.247 10.015 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 295 -14.374 18.942 5.675 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 295 -14.896 19.299 4.956 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 295 -14.407 19.617 6.353 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 296 -16.026 16.182 4.226 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 296 -15.928 16.849 3.546 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 296 -16.166 15.366 3.744 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 297 -16.855 17.562 9.847 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 297 -17.005 16.617 9.827 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 297 -17.209 17.843 10.691 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 298 -16.777 13.590 3.343 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 298 -16.168 13.218 3.979 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 298 -17.614 13.168 3.539 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 299 -16.534 15.726 13.745 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 299 -15.601 15.938 13.710 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 299 -16.768 15.828 14.668 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 300 -14.221 10.443 21.875 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 300 -13.871 9.789 21.269 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 300 -14.075 11.280 21.434 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 301 -15.700 10.642 18.043 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 301 -16.514 10.967 17.654 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 301 -15.467 9.882 17.509 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 302 -22.270 12.091 12.366 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 302 -22.945 11.462 12.620 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 302 -21.706 11.607 11.763 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 303 -17.128 10.198 12.478 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 303 -16.524 10.746 11.976 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 303 -17.997 10.518 12.238 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 304 -19.808 10.682 11.649 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 304 -19.732 10.777 10.700 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 304 -20.084 9.774 11.779 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 305 -24.221 12.732 6.891 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 305 -24.043 12.086 7.574 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 305 -24.274 13.566 7.358 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 306 -2.259 -10.532 -25.634 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 306 -1.639 -11.209 -25.907 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 306 -2.467 -10.750 -24.726 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 307 -8.752 -12.507 -18.166 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 307 -8.744 -12.643 -19.114 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 307 -9.668 -12.625 -17.913 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 308 4.793 -12.868 -18.309 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 308 4.745 -13.823 -18.346 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 308 3.967 -12.600 -17.907 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 309 -4.228 -13.294 -19.434 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 309 -4.140 -12.468 -18.959 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 309 -5.091 -13.624 -19.184 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 310 2.075 -9.000 -17.203 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 310 2.276 -8.576 -18.038 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 310 2.732 -8.657 -16.596 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 311 -1.356 -13.872 -19.571 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 311 -2.257 -13.689 -19.838 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 311 -1.322 -13.613 -18.649 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 312 4.338 -15.827 -18.367 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 312 3.486 -15.589 -18.733 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 312 4.928 -15.844 -19.120 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 313 -5.684 -11.893 -21.693 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 313 -5.321 -11.038 -21.925 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 313 -5.152 -12.185 -20.952 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 314 0.519 -11.242 -19.523 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 314 -0.083 -11.797 -20.018 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 314 0.800 -10.575 -20.149 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 315 1.788 -10.988 -23.556 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 315 1.633 -10.310 -24.213 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 315 2.721 -10.916 -23.352 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 316 -12.497 -10.317 -17.328 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 316 -11.957 -10.534 -16.569 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 316 -12.979 -11.123 -17.518 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 317 -7.900 -11.398 -15.708 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 317 -7.133 -11.857 -15.367 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 317 -7.921 -11.624 -16.638 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 318 -1.323 -13.018 -16.979 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 318 -1.674 -13.874 -16.736 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 318 -0.597 -12.875 -16.372 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 319 -2.791 -17.827 -16.302 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 319 -1.838 -17.743 -16.330 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 319 -2.951 -18.538 -15.683 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 320 -1.061 -21.319 -15.737 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 320 -0.869 -22.250 -15.848 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 320 -0.204 -20.894 -15.747 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 321 0.255 -18.530 -17.659 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 321 -0.026 -17.821 -18.236 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 321 1.198 -18.603 -17.809 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 322 4.068 -10.771 -20.405 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 322 3.581 -11.506 -20.776 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 322 4.617 -11.164 -19.727 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 323 2.519 -14.981 -15.767 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 323 1.652 -15.086 -15.373 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 323 2.894 -14.222 -15.320 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 324 2.857 -18.180 -18.227 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 324 3.440 -18.914 -18.035 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 324 3.421 -17.408 -18.181 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 325 -11.372 -13.319 -17.212 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 325 -12.194 -13.144 -17.672 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 325 -11.624 -13.392 -16.291 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 326 -8.418 -12.344 -20.953 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 326 -8.843 -11.535 -21.236 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 326 -7.513 -12.259 -21.255 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 327 -4.107 -10.945 -17.994 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 327 -3.922 -11.279 -17.116 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 327 -3.260 -10.636 -18.316 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 328 -11.017 -9.088 -20.905 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 328 -11.736 -8.648 -21.357 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 328 -11.383 -9.339 -20.056 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 329 -8.550 -9.488 -21.876 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 329 -9.415 -9.416 -21.472 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 329 -8.604 -8.941 -22.660 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 330 -3.838 -9.600 -22.700 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 330 -4.295 -9.071 -23.354 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 330 -3.675 -8.997 -21.974 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 331 -1.511 -10.722 -21.755 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 331 -2.415 -10.557 -22.021 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 331 -1.082 -9.869 -21.821 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 332 1.094 -9.152 -21.460 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 332 0.912 -8.236 -21.671 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 332 1.269 -9.562 -22.306 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 333 2.441 -11.717 -17.596 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 333 1.659 -11.903 -18.117 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 333 2.369 -10.788 -17.380 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 334 -2.009 -17.831 -8.710 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 334 -1.920 -16.887 -8.843 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 334 -2.648 -18.106 -9.369 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 335 -10.709 -18.961 -3.699 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 335 -10.666 -19.587 -2.975 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 335 -10.005 -18.338 -3.517 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 336 -12.465 -18.689 -7.645 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 336 -12.250 -19.459 -7.118 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 336 -11.726 -18.600 -8.248 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 337 -1.546 -21.749 -4.558 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 337 -1.403 -22.696 -4.538 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 337 -1.652 -21.542 -5.487 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 338 -0.669 -23.517 -8.884 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 338 -0.023 -23.846 -8.259 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 338 -0.159 -22.999 -9.508 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 339 -6.615 -19.701 -7.308 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 339 -5.999 -20.227 -6.799 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 339 -7.201 -20.341 -7.712 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 340 -7.012 -17.054 -2.924 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 340 -7.752 -16.456 -2.821 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 340 -6.298 -16.500 -3.240 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 341 1.095 -24.226 -6.904 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 341 0.880 -24.992 -6.372 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 341 1.751 -23.754 -6.391 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 342 -8.604 -15.090 -2.136 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 342 -8.611 -14.211 -2.515 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 342 -9.459 -15.173 -1.712 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 343 -12.483 -15.419 -11.355 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 343 -12.755 -15.190 -12.244 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 343 -12.438 -14.581 -10.895 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 344 -3.288 -18.587 -11.259 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 344 -4.000 -18.052 -11.610 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 344 -2.597 -18.531 -11.918 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 345 -3.234 -20.129 -14.220 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 345 -2.533 -20.107 -13.569 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 345 -2.932 -20.757 -14.875 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 346 4.081 -19.209 -2.965 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 346 3.429 -18.514 -2.876 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 346 4.546 -18.999 -3.775 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 347 0.014 -20.203 -1.239 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 347 0.095 -19.440 -0.667 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 347 -0.586 -19.924 -1.929 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 348 -8.238 -17.747 -8.424 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 348 -8.567 -18.117 -9.242 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 348 -7.649 -18.417 -8.078 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 349 -7.870 -18.978 -4.790 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 349 -7.306 -18.857 -5.554 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 349 -7.551 -18.341 -4.152 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 350 -6.990 -14.579 -0.074 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 350 -7.303 -13.797 0.382 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 350 -7.640 -14.732 -0.760 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 351 -1.011 -19.215 -12.622 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 351 -0.433 -19.065 -11.875 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 351 -0.597 -18.744 -13.345 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 352 -10.070 -18.381 -0.845 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 352 -10.000 -17.730 -0.147 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 352 -10.962 -18.278 -1.179 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 353 -9.247 -18.677 -10.835 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 353 -9.540 -17.909 -11.325 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 353 -9.921 -19.337 -10.998 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 354 3.877 -13.099 -14.431 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 354 3.950 -12.160 -14.262 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 354 4.781 -13.404 -14.489 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 355 -13.155 -16.314 -2.019 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 355 -13.655 -16.342 -2.835 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 355 -13.149 -17.220 -1.710 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 356 -13.403 -13.534 -5.136 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 356 -12.457 -13.678 -5.155 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 356 -13.517 -12.750 -4.599 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 357 1.946 -21.375 1.026 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 357 1.538 -20.894 0.306 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 357 1.987 -22.280 0.720 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 358 -10.905 -14.991 -0.977 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 358 -10.688 -15.352 -0.117 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 358 -11.761 -15.365 -1.187 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 359 -0.297 -23.043 -0.753 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 359 -0.811 -23.169 0.044 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 359 -0.452 -22.131 -0.998 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 360 0.466 -18.182 -14.991 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 360 0.508 -18.405 -15.922 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 360 1.315 -17.784 -14.802 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 361 -2.662 -20.918 -10.157 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 361 -3.071 -20.103 -10.448 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 361 -1.942 -21.058 -10.771 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 362 -3.560 -20.743 1.332 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 362 -4.123 -21.447 1.651 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 362 -2.734 -20.863 1.798 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 363 -1.658 -21.472 -7.343 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 363 -1.853 -20.867 -8.058 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 363 -1.476 -22.306 -7.777 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 364 -2.394 -19.834 -2.672 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 364 -2.070 -20.465 -3.315 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 364 -2.834 -20.369 -2.011 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 365 -1.211 -24.672 -4.623 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 365 -1.888 -24.541 -3.960 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 365 -1.697 -24.827 -5.434 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 366 -10.326 -16.526 1.261 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 366 -9.593 -16.272 1.822 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 366 -11.107 -16.322 1.776 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 367 -4.296 -21.119 -6.001 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 367 -3.732 -21.666 -6.548 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 367 -4.444 -21.641 -5.212 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 368 -5.127 -16.518 -11.902 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 368 -5.870 -17.025 -12.224 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 368 -5.260 -16.469 -10.956 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 369 -3.606 -16.334 -0.665 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 369 -3.952 -16.715 0.141 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 369 -3.806 -15.400 -0.594 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 370 -0.510 -21.837 -12.041 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 370 0.381 -21.974 -11.723 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 370 -0.454 -21.046 -12.579 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 371 -10.002 -17.223 -6.133 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 371 -9.256 -17.225 -6.734 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 371 -9.924 -18.047 -5.651 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 372 -11.709 -12.204 -2.825 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 372 -11.491 -13.136 -2.856 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 372 -11.462 -11.930 -1.941 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 373 -5.846 -13.753 -15.614 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 373 -5.607 -14.501 -16.163 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 373 -6.115 -14.141 -14.782 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 374 -6.909 -14.183 -13.159 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 374 -6.762 -14.703 -12.369 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 374 -6.912 -13.276 -12.852 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 375 -4.104 -21.902 -1.253 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 375 -3.985 -21.328 -0.495 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 375 -3.449 -22.590 -1.138 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 376 -9.840 -14.316 -13.752 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 376 -9.248 -13.617 -13.476 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 376 -9.381 -14.749 -14.471 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 377 -11.787 -12.930 -9.802 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 377 -12.618 -12.457 -9.774 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 377 -11.241 -12.420 -10.401 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 378 -12.591 -16.507 2.482 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 378 -12.447 -17.409 2.196 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 378 -13.364 -16.221 1.994 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 379 -8.249 -16.163 -15.386 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 379 -8.185 -16.957 -14.855 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 379 -7.596 -16.282 -16.075 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 380 -5.935 -16.537 1.915 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 380 -6.263 -16.266 1.058 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 380 -5.784 -17.478 1.827 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 381 -2.897 -15.116 -15.649 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 381 -3.165 -14.936 -14.748 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 381 -3.103 -16.042 -15.780 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 382 -0.200 -16.621 -0.702 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 382 0.545 -16.033 -0.822 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 382 -0.957 -16.039 -0.639 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 383 -2.791 -17.827 2.554 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 383 -1.838 -17.743 2.526 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 383 -2.951 -18.538 3.173 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 384 3.361 -17.593 -15.372 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 384 3.088 -18.018 -16.184 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 384 3.401 -16.662 -15.588 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 385 -5.478 -19.134 -1.909 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 385 -4.726 -19.290 -2.482 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 385 -5.816 -18.282 -2.184 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 386 0.255 -18.530 1.197 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 386 -0.026 -17.821 0.619 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 386 1.198 -18.603 1.046 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 387 -12.563 -14.621 -14.332 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 387 -11.649 -14.542 -14.059 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 387 -12.556 -15.308 -15.000 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 388 -13.915 -9.228 -9.255 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 388 -14.562 -9.690 -9.789 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 388 -13.559 -9.900 -8.672 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 389 -13.044 -11.147 -7.450 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 389 -13.378 -12.028 -7.279 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 389 -12.822 -10.802 -6.587 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 390 3.819 -16.724 -11.396 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 390 4.670 -16.303 -11.268 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 390 3.825 -17.464 -10.788 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 391 4.213 -18.671 -9.572 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 391 3.488 -19.150 -9.175 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 391 4.795 -18.465 -8.841 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 392 4.482 -18.770 -13.181 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 392 3.960 -18.413 -13.901 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 392 4.449 -18.095 -12.503 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 393 2.831 -21.530 -14.631 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 393 2.928 -20.863 -15.311 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 393 2.691 -22.346 -15.113 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 394 2.001 -20.150 -9.009 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 394 1.851 -21.095 -9.030 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 394 1.647 -19.869 -8.165 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 395 -12.964 -18.072 -5.000 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 395 -12.780 -18.154 -5.934 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 395 -12.116 -18.196 -4.575 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 396 2.857 -18.180 0.630 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 396 3.440 -18.914 0.821 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 396 3.421 -17.408 0.675 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 397 4.354 -20.277 1.313 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 397 3.491 -20.656 1.148 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 397 4.957 -21.016 1.239 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 398 2.323 -21.986 -5.112 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 398 3.256 -21.774 -5.146 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 398 2.088 -21.884 -4.189 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 399 2.352 -21.249 -2.336 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 399 1.509 -20.981 -1.970 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 399 2.795 -20.427 -2.547 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 400 -12.351 -11.241 -11.968 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 400 -13.035 -11.279 -12.636 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 400 -12.348 -10.328 -11.680 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 401 -2.259 -10.532 12.079 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 401 -1.639 -11.209 11.806 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 401 -2.467 -10.750 12.987 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 402 -2.212 -15.230 9.189 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 402 -2.508 -15.552 8.338 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 402 -2.536 -14.330 9.231 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 403 -12.483 -15.419 7.502 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 403 -12.755 -15.190 6.613 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 403 -12.438 -14.581 7.962 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 404 -0.606 -12.016 10.840 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 404 -0.181 -12.723 10.355 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 404 -0.289 -11.215 10.422 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 405 0.553 -14.115 9.349 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 405 0.296 -14.805 8.736 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 405 0.623 -14.558 10.194 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 406 -6.870 -14.319 13.114 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 406 -6.965 -14.897 12.357 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 406 -6.141 -14.690 13.610 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 407 -3.285 -12.478 9.670 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 407 -2.811 -12.183 10.448 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 407 -3.848 -11.740 9.437 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 408 -8.752 -12.507 19.547 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 408 -8.744 -12.643 18.599 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 408 -9.668 -12.625 19.799 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 409 -13.403 -13.534 13.721 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 409 -12.457 -13.678 13.702 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 409 -13.517 -12.750 14.258 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 410 -10.159 -10.733 9.866 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 410 -10.008 -11.081 10.745 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 410 -11.011 -11.089 9.611 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 411 0.466 -18.182 3.865 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 411 0.508 -18.405 2.934 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 411 1.315 -17.784 4.055 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 412 -5.127 -16.518 6.955 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 412 -5.870 -17.025 6.632 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 412 -5.260 -16.469 7.901 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 413 -3.000 -15.059 5.980 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 413 -3.295 -14.233 6.362 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 413 -3.704 -15.679 6.176 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 414 -7.627 -13.705 10.129 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 414 -7.099 -12.932 9.928 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 414 -8.506 -13.480 9.827 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 415 -6.199 -16.042 9.704 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 415 -6.441 -15.117 9.747 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 415 -6.939 -16.501 10.101 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 416 -5.684 -11.893 16.020 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 416 -5.321 -11.038 15.787 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 416 -5.152 -12.185 16.761 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 417 0.062 -14.865 4.795 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 417 0.416 -15.245 5.599 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 417 -0.886 -14.958 4.881 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 418 0.929 -16.192 7.021 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 418 0.652 -16.920 7.577 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 418 1.856 -16.073 7.227 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 419 -11.709 -12.204 16.032 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 419 -11.491 -13.136 16.001 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 419 -11.462 -11.930 16.916 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 420 -10.457 -16.930 6.208 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 420 -11.143 -16.578 6.775 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 420 -9.933 -16.167 5.962 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 421 1.788 -10.988 14.157 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 421 1.633 -10.310 13.500 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 421 2.721 -10.916 14.360 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 422 -11.787 -12.930 9.055 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 422 -12.618 -12.457 9.082 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 422 -11.241 -12.420 8.456 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 423 -12.497 -10.317 20.384 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 423 -11.957 -10.534 21.144 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 423 -12.979 -11.123 20.195 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 424 -8.249 -16.163 3.471 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 424 -8.185 -16.957 4.002 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 424 -7.596 -16.282 2.782 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 425 -7.101 -18.191 5.777 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 425 -7.559 -18.675 6.463 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 425 -6.845 -18.859 5.141 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 426 3.361 -17.593 3.485 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 426 3.088 -18.018 2.671 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 426 3.401 -16.662 3.268 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 427 -12.563 -14.621 4.524 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 427 -11.649 -14.542 4.797 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 427 -12.556 -15.308 3.857 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 428 -13.044 -11.147 11.405 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 428 -13.378 -12.028 11.578 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 428 -12.822 -10.802 12.270 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 429 4.505 -10.338 14.386 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 429 4.482 -10.153 15.325 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 429 5.194 -9.769 14.045 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 430 3.819 -16.724 7.460 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 430 4.670 -16.303 7.588 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 430 3.825 -17.464 8.068 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 431 4.482 -18.770 5.675 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 431 3.960 -18.413 4.956 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 431 4.449 -18.095 6.353 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 432 1.243 -10.248 9.957 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 432 1.896 -10.595 9.350 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 432 1.753 -9.759 10.604 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 433 -8.418 -12.344 16.759 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 433 -8.843 -11.535 16.477 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 433 -7.513 -12.259 16.457 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 434 -3.838 -9.600 15.013 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 434 -4.295 -9.071 14.359 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 434 -3.675 -8.997 15.738 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 435 -1.511 -10.722 15.957 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 435 -2.415 -10.557 15.692 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 435 -1.082 -9.869 15.892 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 436 1.094 -9.152 16.253 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 436 0.912 -8.236 16.041 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 436 1.269 -9.562 15.405 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 437 -11.601 -10.465 13.718 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 437 -11.620 -10.890 14.575 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 437 -10.796 -10.783 13.309 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 438 -9.460 -11.755 12.373 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 438 -9.680 -12.671 12.542 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 438 -8.636 -11.615 12.838 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 439 -6.923 -11.285 13.221 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 439 -6.710 -12.173 12.934 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 439 -6.858 -11.319 14.175 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 440 -2.009 1.025 -27.567 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 440 -1.920 1.969 -27.699 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 440 -2.648 0.750 -28.224 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 441 -3.076 0.280 -24.148 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 441 -3.114 -0.366 -23.443 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 441 -3.399 -0.186 -24.919 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 442 0.630 3.219 -25.846 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 442 0.189 2.499 -25.396 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 442 0.617 3.940 -25.216 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 443 -12.465 0.167 -26.501 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 443 -12.250 -0.603 -25.974 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 443 -11.726 0.256 -27.104 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 444 -2.259 8.324 -25.634 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 444 -1.639 7.647 -25.907 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 444 -2.467 8.106 -24.726 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 445 -4.688 2.713 -23.742 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 445 -4.383 2.027 -24.335 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 445 -3.965 2.831 -23.123 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 446 3.976 -5.686 -22.881 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 446 4.024 -5.076 -22.145 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 446 4.402 -5.225 -23.604 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 447 -1.546 -2.893 -23.414 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 447 -1.403 -3.840 -23.393 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 447 -1.652 -2.686 -24.343 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 448 -8.392 -4.792 -26.142 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 448 -8.348 -3.932 -26.559 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 448 -8.849 -5.344 -26.774 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 449 -11.771 -2.395 -25.380 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 449 -11.117 -2.945 -24.948 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 449 -11.747 -2.669 -26.296 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 450 -6.615 -0.845 -26.164 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 450 -5.999 -1.371 -25.655 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 450 -7.201 -1.485 -26.568 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 451 -9.582 -5.874 -22.068 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 451 -9.800 -5.344 -22.834 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 451 -10.249 -5.647 -21.419 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 452 -2.212 3.626 -28.524 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 452 -2.508 3.304 -29.375 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 452 -2.536 4.526 -28.482 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 453 1.095 -5.370 -25.760 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 453 0.880 -6.136 -25.228 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 453 1.751 -4.898 -25.247 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 454 -9.988 -3.982 -24.114 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 454 -9.374 -3.349 -23.742 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 454 -9.476 -4.454 -24.771 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 455 -12.483 3.437 -30.211 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 455 -12.755 3.666 -31.099 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 455 -12.438 4.275 -29.751 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 456 1.142 5.059 -23.498 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 456 0.200 5.117 -23.337 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 456 1.418 5.965 -23.635 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 457 1.442 -6.655 -22.081 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 457 0.706 -6.044 -22.119 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 457 2.126 -6.240 -22.607 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 458 -5.555 -8.568 -24.614 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 458 -5.672 -9.517 -24.669 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 458 -6.410 -8.236 -24.341 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 459 -0.606 6.840 -26.873 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 459 -0.181 6.133 -27.358 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 459 -0.289 7.641 -27.290 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 460 4.081 -0.353 -21.821 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 460 3.429 0.342 -21.732 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 460 4.546 -0.143 -22.631 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 461 -8.238 1.109 -27.280 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 461 -8.567 0.739 -28.099 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 461 -7.649 0.439 -26.934 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 462 -3.285 6.378 -28.043 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 462 -2.811 6.673 -27.265 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 462 -3.848 7.116 -28.276 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 463 4.793 5.988 -18.309 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 463 4.745 5.033 -18.346 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 463 3.967 6.256 -17.907 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 464 -10.159 8.123 -27.847 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 464 -10.008 7.775 -26.968 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 464 -11.011 7.767 -28.102 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 465 -8.287 -7.665 -23.837 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 465 -9.148 -7.752 -24.245 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 465 -8.308 -6.809 -23.410 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 466 -8.198 -2.478 -27.830 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 466 -9.091 -2.819 -27.889 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 466 -7.747 -2.855 -28.585 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 467 -1.658 -2.616 -26.199 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 467 -1.853 -2.011 -26.914 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 467 -1.476 -3.450 -26.634 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 468 -5.617 -5.051 -26.744 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 468 -6.527 -4.994 -26.454 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 468 -5.111 -5.111 -25.933 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 469 -10.788 -3.422 -27.916 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 469 -11.677 -3.322 -28.257 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 469 -10.492 -4.264 -28.263 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 470 -1.211 -5.816 -23.480 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 470 -1.888 -5.685 -22.816 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 470 -1.697 -5.971 -24.290 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 471 2.075 9.856 -17.203 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 471 2.276 10.280 -18.038 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 471 2.732 10.199 -16.596 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 472 -4.296 -2.263 -24.857 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 472 -3.732 -2.810 -25.404 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 472 -4.444 -2.785 -24.068 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 473 -5.670 -3.875 -22.443 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 473 -6.505 -3.421 -22.332 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 473 -5.146 -3.599 -21.691 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 474 -10.002 1.633 -24.989 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 474 -9.256 1.631 -25.590 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 474 -9.924 0.809 -24.507 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 475 4.338 3.029 -18.367 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 475 3.486 3.267 -18.733 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 475 4.928 3.012 -19.120 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 476 -7.627 5.151 -27.584 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 476 -7.099 5.924 -27.785 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 476 -8.506 5.376 -27.886 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 477 -6.199 2.814 -28.008 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 477 -6.441 3.739 -27.966 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 477 -6.939 2.355 -27.611 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 478 -7.515 7.836 -28.463 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 478 -8.465 7.941 -28.411 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 478 -7.165 8.656 -28.117 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 479 -11.360 -5.153 -20.116 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 479 -12.252 -4.814 -20.183 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 479 -11.459 -6.008 -19.698 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 480 2.099 -5.139 -19.274 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 480 1.184 -4.876 -19.361 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 480 2.436 -5.142 -20.171 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 481 0.702 -1.388 -25.178 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 481 -0.095 -1.803 -25.507 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 481 1.147 -2.079 -24.687 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 482 1.788 7.868 -23.556 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 482 1.633 8.546 -24.213 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 482 2.721 7.940 -23.352 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 483 -11.787 5.926 -28.658 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 483 -12.618 6.399 -28.631 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 483 -11.241 6.436 -29.257 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 484 -7.059 -5.717 -21.005 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 484 -6.524 -5.266 -21.657 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 484 -7.912 -5.825 -21.427 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 485 -10.812 -4.968 -16.881 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 485 -10.601 -5.675 -17.492 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 485 -10.925 -5.406 -16.037 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 486 -13.915 9.628 -28.111 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 486 -14.562 9.166 -28.645 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 486 -13.559 8.956 -27.529 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 487 -13.044 7.709 -26.306 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 487 -13.378 6.828 -26.135 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 487 -12.822 8.054 -25.443 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 488 4.505 8.518 -23.327 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 488 4.482 8.703 -22.388 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 488 5.194 9.087 -23.668 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 489 4.068 8.085 -20.405 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 489 3.581 7.350 -20.776 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 489 4.617 7.692 -19.727 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 490 3.973 2.970 -23.480 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 490 4.806 2.592 -23.762 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 490 4.085 3.913 -23.600 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 491 2.460 5.848 -21.174 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 491 1.812 6.173 -20.549 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 491 1.942 5.408 -21.849 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 492 -12.964 0.784 -23.855 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 492 -12.780 0.702 -24.791 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 492 -12.116 0.660 -23.431 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 493 2.323 -3.130 -23.968 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 493 3.256 -2.918 -24.002 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 493 2.088 -3.028 -23.044 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 494 2.352 -2.393 -21.192 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 494 1.509 -2.125 -20.826 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 494 2.795 -1.571 -21.402 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 495 -13.367 -3.945 -17.715 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 495 -12.447 -4.067 -17.479 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 495 -13.816 -4.695 -17.326 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 496 -12.146 -5.633 -24.824 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 496 -11.700 -6.425 -24.521 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 496 -11.680 -4.917 -24.393 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 497 -13.841 -2.634 -23.755 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 497 -13.349 -2.855 -24.544 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 497 -13.479 -1.793 -23.474 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 498 -13.564 -7.638 -21.355 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 498 -14.229 -7.884 -20.713 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 498 -14.008 -7.016 -21.933 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 499 3.155 -8.214 -19.669 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 499 2.343 -7.889 -20.058 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 499 3.389 -8.974 -20.203 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 500 -11.017 9.768 -20.905 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 500 -11.736 10.208 -21.357 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 500 -11.383 9.517 -20.056 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 501 -3.838 9.256 -22.700 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 501 -4.295 9.785 -23.354 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 501 -3.675 9.859 -21.974 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 502 1.094 9.704 -21.460 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 502 0.912 10.620 -21.671 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 502 1.269 9.294 -22.306 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 503 -3.414 -6.765 -25.347 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 503 -4.090 -7.394 -25.091 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 503 -2.850 -7.249 -25.950 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 504 1.728 -8.658 -25.235 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 504 2.332 -8.110 -25.736 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 504 0.859 -8.338 -25.475 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 505 -0.951 -8.174 -26.062 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 505 -0.875 -8.079 -27.012 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 505 -1.227 -9.082 -25.934 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 506 -11.130 -7.617 -18.008 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 506 -11.497 -8.382 -17.565 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 506 -10.217 -7.588 -17.721 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 507 -9.157 -8.266 -16.471 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 507 -8.258 -8.540 -16.657 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 507 -9.543 -9.009 -16.008 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 508 -0.735 -8.934 -16.290 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 508 -0.659 -9.360 -15.436 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 508 0.158 -8.920 -16.632 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 509 2.441 7.139 -17.596 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 509 1.659 6.953 -18.117 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 509 2.369 8.068 -17.380 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 510 3.877 5.757 -14.431 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 510 3.950 6.696 -14.262 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 510 4.781 5.452 -14.489 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 511 4.566 8.471 -13.861 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 511 5.309 9.057 -14.001 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 511 3.872 9.039 -13.527 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 512 4.367 -4.208 17.068 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 512 3.678 -3.550 16.973 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 512 4.383 -4.405 18.005 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 513 1.442 -6.655 15.632 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 513 0.706 -6.044 15.594 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 513 2.126 -6.240 15.106 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 514 -5.555 -8.568 13.098 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 514 -5.672 -9.517 13.043 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 514 -6.410 -8.236 13.370 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 515 -3.623 -7.943 17.250 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 515 -3.204 -8.358 18.003 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 515 -4.556 -8.121 17.367 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 516 -0.297 -4.187 18.104 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 516 -0.811 -4.313 18.901 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 516 -0.452 -3.275 17.858 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 517 -2.624 -5.412 16.486 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 517 -1.926 -5.338 17.137 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 517 -3.005 -6.276 16.642 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 518 2.099 -5.139 18.439 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 518 1.184 -4.876 18.351 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 518 2.436 -5.142 17.541 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 519 -12.497 8.539 20.384 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 519 -11.957 8.322 21.144 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 519 -12.979 7.733 20.195 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 520 -7.900 7.458 22.005 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 520 -7.133 6.999 22.346 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 520 -7.921 7.232 21.075 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 521 -1.061 -2.463 21.976 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 521 -0.869 -3.394 21.864 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 521 -0.204 -2.038 21.965 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 522 -6.253 -8.261 17.140 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 522 -6.351 -7.314 17.034 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 522 -6.996 -8.633 16.663 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 523 -2.273 -4.812 19.779 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 523 -3.221 -4.780 19.910 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 523 -1.961 -5.437 20.433 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 524 -0.639 -6.178 21.784 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 524 -0.736 -7.130 21.777 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 524 -0.961 -5.909 22.645 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 525 -10.812 -4.968 20.831 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 525 -10.601 -5.675 20.221 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 525 -10.925 -5.406 21.675 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 526 -6.031 -8.967 19.811 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 526 -5.319 -9.607 19.797 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 526 -6.133 -8.700 18.896 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 527 -5.678 -7.284 21.864 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 527 -5.809 -7.760 21.044 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 527 -6.277 -6.540 21.809 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 528 4.354 -1.421 20.169 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 528 3.491 -1.800 20.005 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 528 4.957 -2.160 20.096 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 529 4.155 -6.304 20.224 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 529 3.237 -6.033 20.188 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 529 4.277 -6.839 19.440 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 530 3.155 -8.214 18.043 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 530 2.343 -7.889 17.654 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 530 3.389 -8.974 17.509 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 531 1.728 -8.658 12.478 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 531 2.332 -8.110 11.976 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 531 0.859 -8.338 12.238 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 532 -11.088 -8.131 10.188 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 532 -11.866 -8.365 9.680 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 532 -10.558 -8.928 10.196 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 533 -0.951 -8.174 11.649 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 533 -0.875 -8.079 10.700 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 533 -1.227 -9.082 11.779 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 534 -11.130 -7.617 19.704 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 534 -11.497 -8.382 20.148 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 534 -10.217 -7.588 19.992 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 535 -9.157 -8.266 21.241 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 535 -8.258 -8.540 21.056 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 535 -9.543 -9.009 21.705 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 536 -13.175 -1.995 27.942 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 536 -13.623 -1.149 27.924 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 536 -13.736 -2.575 27.427 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 537 -2.212 3.626 28.044 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 537 -2.508 3.304 27.194 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 537 -2.536 4.526 28.087 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 538 -12.483 3.437 26.358 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 538 -12.755 3.666 25.468 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 538 -12.438 4.275 26.818 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 539 0.553 4.741 28.204 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 539 0.296 4.051 27.593 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 539 0.623 4.298 29.050 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 540 -3.288 0.269 26.453 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 540 -4.000 0.804 26.102 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 540 -2.597 0.325 25.794 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 541 0.118 0.479 27.405 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 541 -0.614 0.707 27.979 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 541 0.565 -0.235 27.861 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 542 -1.011 -0.359 25.090 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 542 -0.433 -0.209 25.837 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 542 -0.597 0.112 24.367 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 543 -9.247 0.179 26.878 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 543 -9.540 0.947 26.387 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 543 -9.921 -0.481 26.715 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 544 3.877 5.757 23.280 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 544 3.950 6.696 23.450 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 544 4.781 5.452 23.224 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 545 -0.711 8.488 23.944 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 545 -0.337 7.744 23.473 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 545 -0.707 8.218 24.861 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 546 -1.042 8.414 26.693 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 546 -1.977 8.514 26.872 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 546 -0.762 7.705 27.270 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 547 -3.962 -5.450 23.391 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 547 -4.215 -5.431 24.314 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 547 -4.218 -6.322 23.090 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 548 -2.662 -2.062 27.556 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 548 -3.071 -1.247 27.264 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 548 -1.942 -2.202 26.941 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 549 -7.079 -5.005 22.492 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 549 -7.511 -5.450 23.221 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 549 -7.797 -4.633 21.980 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 550 -12.562 -4.517 24.968 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 550 -12.088 -3.926 24.383 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 550 -13.280 -3.986 25.315 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 551 -7.136 -3.422 26.308 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 551 -6.204 -3.293 26.486 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 551 -7.351 -2.752 25.659 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 552 -8.461 -2.227 23.875 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 552 -9.003 -2.607 23.184 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 552 -7.627 -2.033 23.446 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 553 -5.127 2.338 25.811 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 553 -5.870 1.831 25.488 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 553 -5.260 2.387 26.756 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 554 -1.228 -4.848 24.009 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 554 -2.166 -4.736 23.858 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 554 -0.931 -3.991 24.316 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 555 -0.510 -2.981 25.671 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 555 0.381 -3.118 25.989 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 555 -0.454 -2.190 25.134 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 556 -3.000 3.797 24.835 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 556 -3.295 4.623 25.218 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 556 -3.704 3.177 25.032 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 557 2.671 6.015 25.829 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 557 2.298 5.189 26.139 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 557 2.948 5.832 24.933 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 558 4.566 8.471 23.852 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 558 5.309 9.057 23.712 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 558 3.872 9.039 24.184 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 559 0.929 2.664 25.877 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 559 0.652 1.936 26.433 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 559 1.856 2.783 26.082 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 560 -6.909 4.673 24.553 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 560 -6.762 4.153 25.343 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 560 -6.912 5.580 24.860 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 561 -10.457 1.926 25.064 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 561 -11.143 2.278 25.631 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 561 -9.933 2.689 24.818 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 562 -4.171 6.371 25.303 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 562 -4.989 6.868 25.355 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 562 -3.642 6.846 24.663 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 563 -4.640 -4.032 27.274 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 563 -3.829 -3.528 27.320 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 563 -4.885 -4.177 28.189 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 564 -6.833 7.414 25.285 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 564 -6.672 8.214 24.784 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 564 -7.030 7.721 26.169 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 565 -8.099 -5.888 24.901 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 565 -8.182 -4.999 25.247 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 565 -7.210 -6.153 25.131 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 566 -9.840 4.540 23.960 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 566 -9.248 5.239 24.236 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 566 -9.381 4.107 23.242 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 567 -11.524 -2.796 23.077 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 567 -11.569 -1.857 23.255 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 567 -12.412 -3.032 22.806 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 568 -7.101 0.665 24.633 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 568 -7.559 0.181 25.319 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 568 -6.845 -0.003 23.997 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 569 -6.131 9.599 23.896 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 569 -5.199 9.757 24.041 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 569 -6.396 10.274 23.271 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 570 -12.563 4.235 23.380 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 570 -11.649 4.314 23.652 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 570 -12.556 3.548 22.712 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 571 3.819 2.132 26.316 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 571 4.670 2.553 26.444 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 571 3.825 1.392 26.924 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 572 4.482 0.086 24.530 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 572 3.960 0.443 23.812 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 572 4.449 0.761 25.209 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 573 2.831 -2.674 23.081 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 573 2.928 -2.007 22.401 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 573 2.691 -3.490 22.599 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 574 2.079 -5.266 22.199 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 574 2.689 -5.638 22.835 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 574 1.242 -5.688 22.395 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 575 -10.390 -6.417 23.290 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 575 -9.899 -7.047 22.761 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 575 -9.768 -6.121 23.953 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 576 -5.364 -6.124 25.747 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 576 -5.186 -6.770 26.430 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 576 -5.418 -5.290 26.213 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 577 -3.486 8.825 24.142 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 577 -2.620 9.191 23.963 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 577 -3.733 8.385 23.328 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 578 3.223 8.388 26.822 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 578 3.029 7.640 26.256 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 578 3.184 9.146 26.238 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 579 -10.532 8.535 22.770 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 579 -10.800 8.822 23.642 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 579 -9.761 7.989 22.922 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 580 -9.582 12.982 -22.068 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 580 -9.800 13.512 -22.834 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 580 -10.249 13.209 -21.419 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 581 -9.988 14.874 -24.114 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 581 -9.374 15.507 -23.742 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 581 -9.476 14.402 -24.771 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 582 -5.555 10.288 -24.614 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 582 -5.672 9.339 -24.669 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 582 -6.410 10.620 -24.341 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 583 -10.070 19.331 -19.701 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 583 -10.000 19.982 -19.003 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 583 -10.962 19.434 -20.035 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 584 -8.287 11.191 -23.837 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 584 -9.148 11.104 -24.245 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 584 -8.308 12.047 -23.410 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 585 -0.297 14.669 -19.608 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 585 -0.811 14.543 -18.812 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 585 -0.452 15.581 -19.854 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 586 -8.195 16.157 -22.742 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 586 -8.837 16.116 -22.033 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 586 -8.159 17.083 -22.980 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 587 -3.560 16.969 -17.524 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 587 -4.123 16.265 -17.205 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 587 -2.734 16.849 -17.058 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 588 -10.445 16.477 -20.875 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 588 -10.483 16.877 -20.007 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 588 -10.936 15.660 -20.785 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 589 -1.211 13.040 -23.480 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 589 -1.888 13.171 -22.816 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 589 -1.697 12.885 -24.290 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 590 -10.326 21.186 -17.595 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 590 -9.593 21.440 -17.034 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 590 -11.107 21.390 -17.080 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 591 -5.670 14.981 -22.443 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 591 -6.505 15.435 -22.332 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 591 -5.146 15.257 -21.691 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 592 -12.993 18.950 -19.674 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 592 -12.771 18.532 -18.841 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 592 -13.595 18.337 -20.096 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 593 -5.976 18.467 -17.461 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 593 -6.272 18.301 -18.355 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 593 -5.045 18.247 -17.471 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 594 -11.360 13.703 -20.116 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 594 -12.252 14.042 -20.183 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 594 -11.459 12.848 -19.698 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 595 -2.624 13.444 -21.226 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 595 -1.926 13.518 -20.576 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 595 -3.005 12.580 -21.071 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 596 -4.104 15.810 -20.108 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 596 -3.985 16.384 -19.352 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 596 -3.449 15.122 -19.994 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 597 -10.716 10.842 -24.819 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 597 -10.945 10.901 -25.745 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 597 -11.159 10.050 -24.512 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 598 -12.591 21.205 -16.373 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 598 -12.447 20.303 -16.660 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 598 -13.364 21.491 -16.861 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 599 -11.758 18.405 -16.954 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 599 -11.351 17.548 -17.075 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 599 -12.018 18.420 -16.032 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 600 -7.811 17.414 -19.580 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 600 -8.429 18.089 -19.299 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 600 -7.467 17.735 -20.413 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 601 -5.478 18.578 -20.765 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 601 -4.726 18.422 -21.338 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 601 -5.816 19.430 -21.041 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 602 -1.061 16.393 -15.737 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 602 -0.869 15.462 -15.848 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 602 -0.204 16.818 -15.747 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 603 -8.994 15.967 -16.586 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 603 -9.761 15.435 -16.796 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 603 -8.314 15.657 -17.184 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 604 -4.989 14.917 -17.010 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 604 -5.226 14.697 -16.108 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 604 -5.772 14.710 -17.519 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 605 -2.273 14.044 -17.934 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 605 -3.221 14.076 -17.802 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 605 -1.961 13.419 -17.280 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 606 -0.639 12.678 -15.929 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 606 -0.736 11.726 -15.935 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 606 -0.961 12.947 -15.068 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 607 4.635 10.443 -15.838 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 607 4.985 9.789 -16.444 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 607 4.781 11.280 -16.278 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 608 -12.146 13.223 -24.824 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 608 -11.700 12.431 -24.521 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 608 -11.680 13.939 -24.393 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 609 -13.841 16.222 -23.755 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 609 -13.349 16.001 -24.544 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 609 -13.479 17.063 -23.474 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 610 -13.564 11.218 -21.355 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 610 -14.229 10.972 -20.713 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 610 -14.008 11.840 -21.933 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 611 3.155 10.642 -19.669 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 611 2.343 10.967 -20.058 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 611 3.389 9.882 -20.203 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 612 -3.414 12.091 -25.347 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 612 -4.090 11.462 -25.091 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 612 -2.850 11.607 -25.950 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 613 -11.088 10.725 -27.524 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 613 -11.866 10.491 -28.033 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 613 -10.558 9.928 -27.517 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 614 -6.508 10.652 -27.712 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 614 -5.635 11.040 -27.742 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 614 -6.644 10.437 -26.789 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 615 -2.009 19.881 -8.710 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 615 -1.920 20.825 -8.843 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 615 -2.648 19.606 -9.369 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 616 -3.076 19.136 -5.292 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 616 -3.114 18.490 -4.587 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 616 -3.399 18.670 -6.062 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 617 -9.784 23.201 -5.163 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 617 -10.154 22.399 -5.533 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 617 -8.843 23.032 -5.117 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 618 -4.688 21.569 -4.886 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 618 -4.383 20.883 -5.479 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 618 -3.965 21.687 -4.268 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 619 4.367 14.648 -1.788 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 619 3.678 15.306 -1.884 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 619 4.383 14.451 -0.852 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 620 -7.012 20.658 -2.924 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 620 -7.752 21.256 -2.821 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 620 -6.298 21.212 -3.240 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 621 -8.604 22.622 -2.136 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 621 -8.611 23.501 -2.515 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 621 -9.459 22.539 -1.712 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 622 -12.483 22.293 -11.355 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 622 -12.755 22.522 -12.244 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 622 -12.438 23.131 -10.895 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 623 -3.288 19.125 -11.259 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 623 -4.000 19.660 -11.610 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 623 -2.597 19.181 -11.918 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 624 -3.234 17.583 -14.220 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 624 -2.533 17.605 -13.569 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 624 -2.932 16.955 -14.875 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 625 4.081 18.503 -2.965 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 625 3.429 19.198 -2.876 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 625 4.546 18.713 -3.775 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 626 0.118 19.335 -10.306 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 626 -0.614 19.563 -9.733 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 626 0.565 18.621 -9.851 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 627 0.014 17.509 -1.239 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 627 0.095 18.272 -0.667 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 627 -0.586 17.788 -1.929 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 628 -8.238 19.965 -8.424 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 628 -8.567 19.595 -9.242 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 628 -7.649 19.295 -8.078 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 629 -6.870 23.393 -5.743 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 629 -6.965 22.815 -6.500 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 629 -6.141 23.022 -5.247 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 630 -6.990 23.133 -0.074 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 630 -7.303 23.915 0.382 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 630 -7.640 22.980 -0.760 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 631 -1.011 18.497 -12.622 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 631 -0.433 18.647 -11.875 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 631 -0.597 18.968 -13.345 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 632 -9.247 19.035 -10.835 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 632 -9.540 19.803 -11.325 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 632 -9.921 18.375 -10.998 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 633 -13.155 21.398 -2.019 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 633 -13.655 21.370 -2.835 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 633 -13.149 20.492 -1.710 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 634 -13.403 24.178 -5.136 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 634 -12.457 24.034 -5.155 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 634 -13.517 24.962 -4.599 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 635 -10.905 22.721 -0.977 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 635 -10.688 22.360 -0.117 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 635 -11.761 22.347 -1.187 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 636 -3.560 16.969 1.332 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 636 -4.123 16.265 1.651 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 636 -2.734 16.849 1.798 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 637 -1.658 16.240 -7.343 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 637 -1.853 16.845 -8.058 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 637 -1.476 15.406 -7.777 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 638 -2.394 17.878 -2.672 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 638 -2.070 17.247 -3.315 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 638 -2.834 17.343 -2.011 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 639 -8.461 16.629 -13.838 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 639 -9.003 16.249 -14.529 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 639 -7.627 16.823 -14.267 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 640 -10.326 21.186 1.261 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 640 -9.593 21.440 1.822 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 640 -11.107 21.390 1.776 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 641 -5.127 21.194 -11.902 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 641 -5.870 20.687 -12.224 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 641 -5.260 21.243 -10.956 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 642 2.024 20.327 -3.116 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 642 2.666 20.784 -3.659 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 642 1.194 20.440 -3.578 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 643 -1.228 14.008 -13.703 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 643 -2.166 14.120 -13.854 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 643 -0.931 14.865 -13.396 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 644 -3.606 21.378 -0.665 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 644 -3.952 20.997 0.141 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 644 -3.806 22.312 -0.594 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 645 -0.510 15.875 -12.041 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 645 0.381 15.738 -11.723 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 645 -0.454 16.666 -12.579 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 646 -12.993 18.950 -0.817 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 646 -12.771 18.532 0.014 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 646 -13.595 18.337 -1.240 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 647 -5.976 18.467 1.395 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 647 -6.272 18.301 0.500 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 647 -5.045 18.247 1.385 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 648 4.374 16.085 -12.348 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 648 3.821 15.689 -13.020 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 648 4.476 16.995 -12.625 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 649 -0.169 19.679 -4.861 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 649 -1.097 19.447 -4.888 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 649 0.282 18.902 -5.191 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 650 -7.627 24.007 -8.728 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 650 -7.099 24.780 -8.928 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 650 -8.506 24.232 -9.030 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 651 -11.872 18.869 -14.140 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 651 -11.255 19.496 -13.761 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 651 -12.733 19.185 -13.870 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 652 -6.199 21.670 -9.152 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 652 -6.441 22.595 -9.110 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 652 -6.939 21.211 -8.755 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 653 -2.140 21.918 -3.136 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 653 -2.566 21.691 -2.310 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 653 -1.559 21.180 -3.319 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 654 -10.457 20.782 -12.649 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 654 -11.143 21.134 -12.082 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 654 -9.933 21.545 -12.895 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 655 0.702 17.468 -6.322 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 655 -0.095 17.053 -6.651 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 655 1.147 16.777 -5.831 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 656 -11.787 24.782 -9.802 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 656 -12.618 25.255 -9.774 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 656 -11.241 25.292 -10.401 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 657 -12.591 21.205 2.482 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 657 -12.447 20.303 2.196 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 657 -13.364 21.491 1.994 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 658 -5.935 21.175 1.915 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 658 -6.263 21.446 1.058 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 658 -5.784 20.234 1.827 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 659 -0.200 21.091 -0.702 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 659 0.545 21.679 -0.822 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 659 -0.957 21.673 -0.639 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 660 -11.758 18.405 1.902 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 660 -11.351 17.548 1.782 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 660 -12.018 18.420 2.824 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 661 -7.101 19.521 -13.079 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 661 -7.559 19.037 -12.393 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 661 -6.845 18.853 -13.716 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 662 -6.029 17.764 -14.817 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 662 -6.210 17.610 -15.744 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 662 -5.079 17.872 -14.773 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 663 -2.791 19.885 2.554 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 663 -1.838 19.969 2.526 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 663 -2.951 19.174 3.173 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 664 0.255 19.182 1.197 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 664 -0.026 19.891 0.619 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 664 1.198 19.109 1.046 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 665 4.213 19.041 -9.572 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 665 3.488 18.562 -9.175 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 665 4.795 19.247 -8.841 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 666 2.831 16.182 -14.631 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 666 2.928 16.849 -15.311 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 666 2.691 15.366 -15.113 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 667 2.001 17.562 -9.009 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 667 1.851 16.617 -9.030 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 667 1.647 17.843 -8.165 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 668 2.857 19.532 0.630 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 668 3.440 18.798 0.821 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 668 3.421 20.304 0.675 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 669 4.354 17.435 1.313 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 669 3.491 17.056 1.148 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 669 4.957 16.696 1.239 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 670 2.079 13.590 -15.514 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 670 2.689 13.218 -14.877 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 670 1.242 13.168 -15.317 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 671 1.711 15.145 -10.547 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 671 1.990 14.238 -10.422 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 671 2.470 15.579 -10.937 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 672 2.352 16.463 -2.336 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 672 1.509 16.731 -1.970 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 672 2.795 17.285 -2.547 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 673 4.191 12.475 -13.971 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 673 4.604 11.754 -14.447 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 673 4.873 13.145 -13.913 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 674 -2.009 19.881 10.146 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 674 -1.920 20.825 10.014 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 674 -2.648 19.606 9.488 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 675 -3.076 19.136 13.565 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 675 -3.114 18.490 14.270 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 675 -3.399 18.670 12.793 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 676 -10.709 18.751 15.158 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 676 -10.666 18.125 15.882 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 676 -10.005 19.374 15.340 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 677 0.630 22.075 11.867 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 677 0.189 21.355 12.317 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 677 0.617 22.796 12.497 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 678 -13.175 16.861 9.085 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 678 -13.623 17.707 9.068 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 678 -13.736 16.281 8.571 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 679 -12.465 19.023 11.212 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 679 -12.250 18.253 11.739 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 679 -11.726 19.112 10.609 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 680 -11.771 16.461 12.333 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 680 -11.117 15.911 12.764 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 680 -11.747 16.187 11.417 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 681 -6.615 18.011 11.549 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 681 -5.999 17.485 12.058 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 681 -7.201 17.371 11.145 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 682 4.367 14.648 17.068 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 682 3.678 15.306 16.973 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 682 4.383 14.451 18.005 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 683 -3.288 19.125 7.598 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 683 -4.000 19.660 7.247 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 683 -2.597 19.181 6.938 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 684 -3.234 17.583 4.637 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 684 -2.533 17.605 5.288 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 684 -2.932 16.955 3.981 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 685 4.081 18.503 15.892 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 685 3.429 19.198 15.981 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 685 4.546 18.713 15.082 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 686 0.118 19.335 8.550 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 686 -0.614 19.563 9.123 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 686 0.565 18.621 9.005 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 687 0.014 17.509 17.617 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 687 0.095 18.272 18.190 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 687 -0.586 17.788 16.927 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 688 -8.238 19.965 10.433 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 688 -8.567 19.595 9.614 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 688 -7.649 19.295 10.779 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 689 -7.870 18.734 14.066 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 689 -7.306 18.855 13.303 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 689 -7.551 19.371 14.704 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 690 -1.011 18.497 6.235 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 690 -0.433 18.647 6.982 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 690 -0.597 18.968 5.512 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 691 -9.247 19.035 8.021 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 691 -9.540 19.803 7.531 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 691 -9.921 18.375 7.859 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 692 1.946 16.337 19.883 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 692 1.538 16.818 19.163 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 692 1.987 15.432 19.576 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 693 0.466 19.530 3.865 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 693 0.508 19.307 2.934 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 693 1.315 19.928 4.055 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 694 -8.195 16.157 14.971 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 694 -8.837 16.116 15.680 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 694 -8.159 17.083 14.732 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 695 -2.662 16.794 8.700 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 695 -3.071 17.609 8.408 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 695 -1.942 16.654 8.085 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 696 -3.560 16.969 20.188 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 696 -4.123 16.265 20.508 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 696 -2.734 16.849 20.654 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 697 -1.658 16.240 11.514 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 697 -1.853 16.845 10.799 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 697 -1.476 15.406 11.079 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 698 -10.445 16.477 16.837 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 698 -10.483 16.877 17.706 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 698 -10.936 15.660 16.928 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 699 -2.394 17.878 16.184 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 699 -2.070 17.247 15.542 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 699 -2.834 17.343 16.846 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 700 -8.461 16.629 5.019 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 700 -9.003 16.249 4.328 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 700 -7.627 16.823 4.590 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 701 -4.296 16.593 12.856 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 701 -3.732 16.046 12.309 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 701 -4.444 16.071 13.645 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 702 -5.670 14.981 15.270 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 702 -6.505 15.435 15.380 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 702 -5.146 15.257 16.021 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 703 2.024 20.327 15.741 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 703 2.666 20.784 15.198 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 703 1.194 20.440 15.279 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 704 -0.510 15.875 6.815 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 704 0.381 15.738 7.134 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 704 -0.454 16.666 6.278 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 705 4.338 21.885 19.346 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 705 3.486 22.123 18.979 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 705 4.928 21.868 18.593 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 706 -0.169 19.679 13.995 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 706 -1.097 19.447 13.969 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 706 0.282 18.902 13.665 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 707 -11.872 18.869 4.716 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 707 -11.255 19.496 5.095 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 707 -12.733 19.185 4.987 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 708 -2.140 21.918 15.721 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 708 -2.566 21.691 16.547 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 708 -1.559 21.180 15.538 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 709 -11.360 13.703 17.596 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 709 -12.252 14.042 17.529 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 709 -11.459 12.848 18.015 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 710 -10.457 20.782 6.208 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 710 -11.143 21.134 6.775 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 710 -9.933 21.545 5.962 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 711 -2.624 13.444 16.486 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 711 -1.926 13.518 17.137 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 711 -3.005 12.580 16.642 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 712 -4.104 15.810 17.604 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 712 -3.985 16.384 18.361 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 712 -3.449 15.122 17.718 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 713 2.099 13.717 18.439 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 713 1.184 13.980 18.351 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 713 2.436 13.714 17.541 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 714 -8.249 21.549 3.471 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 714 -8.185 20.755 4.002 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 714 -7.596 21.430 2.782 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 715 -0.200 21.091 18.154 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 715 0.545 21.679 18.035 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 715 -0.957 21.673 18.218 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 716 -7.101 19.521 5.777 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 716 -7.559 19.037 6.463 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 716 -6.845 18.853 5.141 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 717 -7.811 17.414 18.133 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 717 -8.429 18.089 18.413 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 717 -7.467 17.735 17.300 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 718 -6.029 17.764 4.040 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 718 -6.210 17.610 3.112 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 718 -5.079 17.872 4.084 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 719 3.361 20.119 3.485 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 719 3.088 19.694 2.671 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 719 3.401 21.050 3.268 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 720 -7.471 14.769 19.215 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 720 -7.322 14.040 18.613 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 720 -7.470 15.546 18.657 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 721 -5.478 18.578 16.948 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 721 -4.726 18.422 16.375 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 721 -5.816 19.430 16.672 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 722 -1.061 16.393 21.976 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 722 -0.869 15.462 21.864 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 722 -0.204 16.818 21.965 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 723 0.255 19.182 20.053 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 723 -0.026 19.891 19.476 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 723 1.198 19.109 19.902 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 724 -8.994 15.967 21.127 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 724 -9.761 15.435 20.916 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 724 -8.314 15.657 20.527 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 725 -4.989 14.917 20.703 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 725 -5.226 14.697 21.605 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 725 -5.772 14.710 20.194 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 726 -2.273 14.044 19.779 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 726 -3.221 14.076 19.910 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 726 -1.961 13.419 20.433 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 727 -0.639 12.678 21.784 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 727 -0.736 11.726 21.777 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 727 -0.961 12.947 22.645 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 728 -10.812 13.888 20.831 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 728 -10.601 13.181 20.221 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 728 -10.925 13.450 21.675 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 729 -5.678 11.572 21.864 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 729 -5.809 11.096 21.044 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 729 -6.277 12.316 21.809 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 730 4.213 19.041 9.284 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 730 3.488 18.562 9.681 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 730 4.795 19.247 10.015 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 731 3.973 21.826 14.232 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 731 4.806 21.448 13.950 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 731 4.085 22.769 14.113 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 732 4.482 18.942 5.675 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 732 3.960 19.299 4.956 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 732 4.449 19.617 6.353 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 733 2.831 16.182 4.226 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 733 2.928 16.849 3.546 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 733 2.691 15.366 3.744 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 734 2.001 17.562 9.847 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 734 1.851 16.617 9.827 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 734 1.647 17.843 10.691 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 735 -12.964 19.640 13.857 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 735 -12.780 19.558 12.921 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 735 -12.116 19.516 14.280 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 736 2.857 19.532 19.486 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 736 3.440 18.798 19.677 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 736 3.421 20.304 19.532 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 737 4.354 17.435 20.169 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 737 3.491 17.056 20.005 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 737 4.957 16.696 20.096 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 738 1.711 15.145 8.309 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 738 1.990 14.238 8.434 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 738 2.470 15.579 7.920 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 739 -13.841 16.222 13.957 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 739 -13.349 16.001 13.168 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 739 -13.479 17.063 14.239 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 740 -13.564 11.218 16.357 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 740 -14.229 10.972 17.000 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 740 -14.008 11.840 15.780 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 741 -11.130 11.239 19.704 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 741 -11.497 10.474 20.148 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 741 -10.217 11.268 19.992 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 742 -0.735 9.922 21.422 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 742 -0.659 9.496 22.276 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 742 0.158 9.936 21.081 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 743 2.687 10.247 24.904 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 743 1.788 10.386 25.198 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 743 2.939 11.078 24.502 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 744 -3.962 13.406 23.391 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 744 -4.215 13.425 24.314 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 744 -4.218 12.534 23.090 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 745 -7.079 13.851 22.492 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 745 -7.511 13.406 23.221 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 745 -7.797 14.223 21.980 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 746 -8.099 12.968 24.901 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 746 -8.182 13.857 25.247 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 746 -7.210 12.703 25.131 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 747 2.079 13.590 22.199 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 747 2.689 13.218 22.835 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 747 1.242 13.168 22.395 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 748 4.191 12.475 23.742 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 748 4.604 11.754 23.266 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 748 4.873 13.145 23.800 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 749 0.402 10.708 26.198 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 749 -0.301 11.322 25.989 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 749 -0.043 9.870 26.329 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 750 -10.390 12.439 23.290 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 750 -9.899 11.809 22.761 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 750 -9.768 12.735 23.953 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 751 10.104 -12.507 -18.166 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 751 10.113 -12.643 -19.114 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 751 9.189 -12.625 -17.913 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 752 6.359 -10.317 -17.328 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 752 6.899 -10.534 -16.569 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 752 5.877 -11.123 -17.518 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 753 10.956 -11.398 -15.708 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 753 11.723 -11.857 -15.367 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 753 10.934 -11.624 -16.638 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 754 6.265 -16.507 -16.373 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 754 6.410 -17.409 -16.660 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 754 5.492 -16.221 -16.861 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 755 7.484 -13.319 -17.212 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 755 6.663 -13.144 -17.672 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 755 7.232 -13.392 -16.291 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 756 14.748 -10.945 -17.994 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 756 14.934 -11.279 -17.116 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 756 15.595 -10.636 -18.316 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 757 7.840 -9.088 -20.905 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 757 7.120 -8.648 -21.357 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 757 7.474 -9.339 -20.056 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 758 9.072 -14.511 -5.163 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 758 8.701 -15.313 -5.533 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 758 10.012 -14.680 -5.117 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 759 6.391 -18.689 -7.645 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 759 6.606 -19.459 -7.118 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 759 7.130 -18.600 -8.248 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 760 10.252 -15.090 -2.136 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 760 10.245 -14.211 -2.515 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 760 9.398 -15.173 -1.712 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 761 6.373 -15.419 -11.355 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 761 6.101 -15.190 -12.244 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 761 6.418 -14.581 -10.895 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 762 10.619 -17.747 -8.424 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 762 10.288 -18.117 -9.242 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 762 11.207 -18.417 -8.078 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 763 11.986 -14.319 -5.743 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 763 11.890 -14.897 -6.500 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 763 12.715 -14.690 -5.247 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 764 11.866 -14.579 -0.074 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 764 11.553 -13.797 0.382 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 764 11.216 -14.732 -0.760 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 765 8.785 -18.381 -0.845 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 765 8.855 -17.730 -0.147 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 765 7.894 -18.278 -1.179 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 766 15.570 -12.478 -9.187 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 766 16.044 -12.183 -8.409 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 766 15.008 -11.740 -9.419 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 767 5.701 -16.314 -2.019 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 767 5.200 -16.342 -2.835 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 767 5.707 -17.220 -1.710 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 768 14.629 -13.294 -0.578 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 768 14.716 -12.468 -0.103 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 768 13.764 -13.624 -0.329 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 769 15.043 -9.522 -10.771 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 769 14.967 -9.643 -11.718 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 769 15.075 -8.572 -10.652 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 770 8.530 -16.526 1.261 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 770 9.262 -16.272 1.822 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 770 7.750 -16.322 1.776 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 771 8.854 -17.223 -6.133 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 771 9.599 -17.225 -6.734 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 771 8.933 -18.047 -5.651 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 772 5.863 -18.762 -0.817 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 772 6.085 -19.180 0.014 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 772 5.261 -19.375 -1.240 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 773 11.229 -13.705 -8.728 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 773 11.756 -12.932 -8.928 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 773 10.349 -13.480 -9.030 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 774 13.171 -11.893 -2.837 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 774 13.534 -11.038 -3.070 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 774 13.704 -12.185 -2.096 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 775 11.341 -11.020 -9.607 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 775 10.390 -10.915 -9.555 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 775 11.691 -10.200 -9.261 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 776 13.009 -13.753 -15.614 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 776 13.248 -14.501 -16.163 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 776 12.741 -14.141 -14.782 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 777 11.947 -14.183 -13.159 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 777 12.094 -14.703 -12.369 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 777 11.944 -13.276 -12.852 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 778 8.399 -16.930 -12.649 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 778 7.713 -16.578 -12.082 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 778 8.922 -16.167 -12.895 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 779 14.684 -12.485 -12.410 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 779 13.867 -11.988 -12.357 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 779 15.213 -12.010 -13.050 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 780 9.015 -14.316 -13.752 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 780 9.607 -13.617 -13.476 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 780 9.474 -14.749 -14.471 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 781 15.047 -11.890 -15.477 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 781 14.403 -12.521 -15.154 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 781 15.809 -12.421 -15.709 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 782 17.532 -13.018 1.878 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 782 17.181 -13.874 2.120 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 782 18.259 -12.875 2.484 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 783 12.921 -16.537 1.915 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 783 12.592 -16.266 1.058 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 783 13.072 -17.478 1.827 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 784 7.098 -19.307 1.902 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 784 7.506 -20.164 1.782 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 784 6.838 -19.292 2.824 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 785 6.293 -14.621 -14.332 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 785 7.207 -14.542 -14.059 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 785 6.300 -15.308 -15.000 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 786 5.892 -18.072 -5.000 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 786 6.075 -18.154 -5.934 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 786 6.740 -18.196 -4.575 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 787 5.014 -21.490 -4.899 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 787 5.507 -21.711 -5.689 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 787 5.377 -20.649 -4.617 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 788 10.438 -12.344 -2.097 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 788 10.012 -11.535 -2.380 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 788 11.343 -12.259 -2.399 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 789 14.748 -10.945 0.862 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 789 14.934 -11.279 1.740 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 789 15.595 -10.636 0.540 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 790 17.093 -9.660 0.106 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 790 17.770 -10.292 -0.134 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 790 17.416 -9.258 0.914 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 791 15.018 -9.600 -3.844 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 791 14.560 -9.071 -4.498 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 791 15.181 -8.997 -3.119 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 792 11.933 -11.285 -5.636 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 792 12.146 -12.173 -5.923 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 792 11.998 -11.319 -4.681 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 793 15.370 -10.031 -13.570 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 793 16.236 -9.665 -13.748 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 793 15.123 -10.471 -14.384 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 794 6.373 -15.419 7.502 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 794 6.101 -15.190 6.613 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 794 6.418 -14.581 7.962 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 795 15.043 -9.522 8.085 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 795 14.967 -9.643 7.139 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 795 15.075 -8.572 8.204 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 796 8.697 -10.733 9.866 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 796 8.849 -11.081 10.745 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 796 7.846 -11.089 9.611 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 797 18.145 -10.368 5.088 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 797 18.520 -11.112 4.617 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 797 18.148 -10.638 6.006 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 798 11.229 -13.705 10.129 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 798 11.756 -12.932 9.928 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 798 10.349 -13.480 9.827 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 799 6.984 -18.843 4.716 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 799 7.601 -18.216 5.095 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 799 6.123 -18.527 4.987 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 800 11.341 -11.020 9.250 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 800 10.390 -10.915 9.302 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 800 11.691 -10.200 9.595 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 801 13.009 -13.753 3.242 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 801 13.248 -14.501 2.694 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 801 12.741 -14.141 4.074 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 802 11.947 -14.183 5.698 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 802 12.094 -14.703 6.488 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 802 11.944 -13.276 6.004 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 803 8.399 -16.930 6.208 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 803 7.713 -16.578 6.775 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 803 8.922 -16.167 5.962 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 804 14.684 -12.485 6.447 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 804 13.867 -11.988 6.500 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 804 15.213 -12.010 5.807 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 805 9.015 -14.316 5.105 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 805 9.607 -13.617 5.381 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 805 9.474 -14.749 4.386 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 806 7.069 -12.930 9.055 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 806 6.238 -12.457 9.082 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 806 7.615 -12.420 8.456 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 807 15.047 -11.890 3.380 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 807 14.403 -12.521 3.702 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 807 15.809 -12.421 3.148 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 808 10.607 -16.163 3.471 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 808 10.671 -16.957 4.002 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 808 11.259 -16.282 2.782 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 809 15.959 -15.116 3.207 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 809 15.691 -14.936 4.107 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 809 15.752 -16.042 3.075 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 810 5.812 -11.147 11.405 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 810 5.478 -12.028 11.578 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 810 6.034 -10.802 12.270 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 811 7.255 -10.465 13.718 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 811 7.236 -10.890 14.575 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 811 8.059 -10.783 13.309 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 812 9.396 -11.755 12.373 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 812 9.177 -12.671 12.542 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 812 10.220 -11.615 12.838 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 813 15.370 -10.031 5.286 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 813 16.236 -9.665 5.108 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 813 15.123 -10.471 4.473 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 814 8.148 -0.105 -22.555 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 814 8.189 -0.731 -21.831 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 814 8.851 0.518 -22.373 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 815 9.274 -5.874 -22.068 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 815 9.056 -5.344 -22.834 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 815 8.607 -5.647 -21.419 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 816 8.869 -3.982 -24.114 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 816 9.482 -3.349 -23.742 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 816 9.381 -4.454 -24.771 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 817 11.866 4.277 -18.930 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 817 11.553 5.059 -18.474 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 817 11.216 4.124 -19.616 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 818 8.785 0.475 -19.701 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 818 8.855 1.126 -19.003 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 818 7.894 0.578 -20.035 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 819 10.104 6.349 -18.166 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 819 10.113 6.213 -19.114 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 819 9.189 6.231 -17.913 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 820 5.701 2.542 -20.876 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 820 5.200 2.514 -21.691 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 820 5.707 1.636 -20.566 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 821 5.453 5.322 -23.992 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 821 6.399 5.178 -24.011 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 821 5.339 6.106 -23.454 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 822 7.950 3.865 -19.833 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 822 8.168 3.504 -18.973 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 822 7.096 3.491 -20.043 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 823 10.661 -2.699 -22.742 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 823 10.018 -2.740 -22.033 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 823 10.697 -1.773 -22.980 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 824 15.296 -1.887 -17.524 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 824 14.732 -2.591 -17.205 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 824 16.122 -2.007 -17.058 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 825 8.410 -2.379 -20.875 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 825 8.373 -1.979 -20.007 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 825 7.920 -3.196 -20.785 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 826 8.530 2.330 -17.595 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 826 9.262 2.584 -17.034 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 826 7.750 2.534 -17.080 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 827 12.880 -0.389 -17.461 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 827 12.584 -0.555 -18.355 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 827 13.810 -0.609 -17.471 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 828 10.956 7.458 -15.708 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 828 11.723 6.999 -15.367 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 828 10.934 7.232 -16.638 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 829 12.921 2.319 -16.941 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 829 12.592 2.590 -17.799 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 829 13.072 1.378 -17.029 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 830 11.044 -1.442 -19.580 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 830 10.427 -0.767 -19.299 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 830 11.389 -1.121 -20.413 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 831 16.064 1.029 -16.302 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 831 17.017 1.113 -16.330 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 831 15.905 0.318 -15.683 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 832 11.384 -4.087 -18.497 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 832 11.534 -4.816 -19.099 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 832 11.386 -3.310 -19.056 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 833 11.796 -5.717 -21.005 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 833 12.332 -5.266 -21.657 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 833 10.944 -5.825 -21.427 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 834 9.863 -2.889 -16.586 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 834 9.096 -3.421 -16.796 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 834 10.541 -3.199 -17.184 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 835 12.602 -8.261 -20.573 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 835 12.505 -7.314 -20.678 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 835 11.860 -8.633 -21.049 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 836 13.867 -3.939 -17.010 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 836 13.630 -4.159 -16.108 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 836 13.084 -4.146 -17.519 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 837 12.825 -8.967 -17.902 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 837 13.537 -9.607 -17.916 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 837 12.723 -8.700 -18.816 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 838 13.178 -7.284 -15.848 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 838 13.046 -7.760 -16.669 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 838 12.579 -6.540 -15.904 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 839 5.892 0.784 -23.855 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 839 6.075 0.702 -24.791 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 839 6.740 0.660 -23.431 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 840 5.014 -2.634 -23.755 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 840 5.507 -2.855 -24.544 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 840 5.377 -1.793 -23.474 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 841 5.292 -7.638 -21.355 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 841 4.627 -7.884 -20.713 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 841 4.848 -7.016 -21.933 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 842 7.484 5.537 -17.212 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 842 6.663 5.712 -17.672 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 842 7.232 5.464 -16.291 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 843 7.726 -7.617 -18.008 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 843 7.359 -8.382 -17.565 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 843 8.639 -7.588 -17.721 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 844 16.846 1.025 -8.710 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 844 16.936 1.969 -8.843 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 844 16.207 0.750 -9.369 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 845 16.596 8.324 -6.777 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 845 17.216 7.647 -7.051 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 845 16.389 8.106 -5.870 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 846 14.168 2.713 -4.886 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 846 14.473 2.027 -5.479 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 846 14.890 2.831 -4.268 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 847 18.186 -4.661 -8.884 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 847 18.832 -4.990 -8.259 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 847 18.697 -4.143 -9.508 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 848 16.643 3.626 -9.668 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 848 16.348 3.304 -10.518 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 848 16.320 4.526 -9.626 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 849 19.950 -5.370 -6.904 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 849 19.736 -6.136 -6.372 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 849 20.607 -4.898 -6.391 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 850 19.998 5.059 -4.642 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 850 19.056 5.117 -4.481 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 850 20.273 5.965 -4.779 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 851 20.297 -6.655 -3.225 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 851 19.562 -6.044 -3.263 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 851 20.982 -6.240 -3.751 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 852 13.300 -8.568 -5.759 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 852 13.184 -9.517 -5.812 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 852 12.445 -8.236 -5.486 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 853 18.250 6.840 -8.017 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 853 18.675 6.133 -8.502 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 853 18.567 7.641 -8.434 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 854 21.095 3.307 -1.030 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 854 21.235 2.716 -1.769 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 854 21.262 4.180 -1.386 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 855 15.568 0.269 -11.259 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 855 14.855 0.804 -11.610 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 855 16.259 0.325 -11.918 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 856 15.622 -1.273 -14.220 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 856 16.323 -1.251 -13.569 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 856 15.924 -1.901 -14.875 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 857 18.974 0.479 -10.306 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 857 18.242 0.707 -9.733 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 857 19.421 -0.235 -9.851 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 858 18.870 -1.347 -1.239 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 858 18.950 -0.584 -0.667 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 858 18.270 -1.068 -1.929 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 859 17.294 5.381 -4.056 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 859 17.053 6.043 -3.409 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 859 17.096 4.547 -3.632 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 860 17.845 -0.359 -12.622 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 860 18.424 -0.209 -11.875 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 860 18.259 0.112 -13.345 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 861 15.570 6.378 -9.187 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 861 16.044 6.673 -8.409 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 861 15.008 7.116 -9.419 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 862 15.043 9.334 -10.771 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 862 14.967 9.213 -11.718 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 862 15.075 10.284 -10.652 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 863 20.802 -2.519 1.026 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 863 20.395 -2.038 0.306 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 863 20.843 -3.424 0.720 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 864 15.232 -7.943 -1.607 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 864 15.652 -8.358 -0.854 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 864 14.300 -8.121 -1.490 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 865 18.559 -4.187 -0.753 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 865 18.044 -4.313 0.044 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 865 18.404 -3.275 -0.998 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 866 14.895 -5.450 -14.322 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 866 14.640 -5.431 -13.399 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 866 14.637 -6.322 -14.622 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 867 16.194 -2.062 -10.157 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 867 15.784 -1.247 -10.448 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 867 16.913 -2.202 -10.771 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 868 17.198 -2.616 -7.343 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 868 17.003 -2.011 -8.058 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 868 17.380 -3.450 -7.777 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 869 17.645 -5.816 -4.623 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 869 16.968 -5.685 -3.960 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 869 17.159 -5.971 -5.434 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 870 13.729 2.338 -11.902 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 870 12.986 1.831 -12.224 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 870 13.595 2.387 -10.956 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 871 20.880 1.471 -3.116 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 871 21.521 1.928 -3.659 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 871 20.050 1.584 -3.578 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 872 17.628 -4.848 -13.703 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 872 16.689 -4.736 -13.854 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 872 17.925 -3.991 -13.396 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 873 18.346 -2.981 -12.041 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 873 19.238 -3.118 -11.723 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 873 18.402 -2.190 -12.579 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 874 15.855 3.797 -12.877 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 874 15.561 4.623 -12.495 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 874 15.152 3.177 -12.681 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 875 18.687 0.823 -4.861 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 875 17.759 0.591 -4.888 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 875 19.137 0.046 -5.191 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 876 12.656 2.814 -9.152 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 876 12.415 3.739 -9.110 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 876 11.916 2.355 -8.755 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 877 11.341 7.836 -9.607 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 877 10.390 7.941 -9.555 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 877 11.691 8.656 -9.261 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 878 16.715 3.062 -3.136 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 878 16.290 2.835 -2.310 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 878 17.297 2.324 -3.319 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 879 19.375 7.614 -0.667 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 879 18.773 7.059 -1.162 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 879 19.655 8.281 -1.293 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 880 13.009 5.103 -15.614 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 880 13.248 4.355 -16.163 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 880 12.741 4.715 -14.782 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 881 11.947 4.673 -13.159 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 881 12.094 4.153 -12.369 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 881 11.944 5.580 -12.852 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 882 17.015 -5.760 -11.273 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 882 17.236 -5.288 -12.075 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 882 17.573 -5.365 -10.602 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 883 15.100 -6.951 -9.500 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 883 14.752 -6.333 -8.854 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 883 15.758 -6.450 -9.980 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 884 12.023 7.414 -12.428 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 884 12.184 8.214 -12.928 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 884 11.825 7.721 -11.543 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 885 20.956 -5.139 -0.418 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 885 20.040 -4.876 -0.506 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 885 21.291 -5.142 -1.315 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 886 19.558 -1.388 -6.322 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 886 18.761 -1.803 -6.651 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 886 20.003 -2.079 -5.831 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 887 20.645 7.868 -4.700 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 887 20.489 8.546 -5.357 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 887 21.576 7.940 -4.497 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 888 17.532 5.838 1.878 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 888 17.181 4.982 2.120 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 888 18.259 5.981 2.484 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 889 18.655 2.235 -0.702 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 889 19.401 2.823 -0.822 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 889 17.898 2.817 -0.639 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 890 12.826 -1.092 -14.817 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 890 12.646 -1.246 -15.744 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 890 13.777 -0.984 -14.773 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 891 16.064 1.029 2.554 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 891 17.017 1.113 2.526 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 891 15.905 0.318 3.173 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 892 17.794 -2.463 3.119 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 892 17.986 -3.394 3.009 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 892 18.651 -2.038 3.109 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 893 19.111 0.326 1.197 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 893 18.829 1.035 0.619 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 893 20.053 0.253 1.046 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 894 16.582 -4.812 0.922 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 894 15.634 -4.780 1.054 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 894 16.895 -5.437 1.576 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 895 18.216 -6.178 2.927 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 895 18.119 -7.130 2.921 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 895 17.895 -5.909 3.788 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 896 21.316 5.848 -2.318 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 896 20.668 6.173 -1.692 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 896 20.797 5.408 -2.993 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 897 21.712 0.676 0.630 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 897 22.296 -0.058 0.821 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 897 22.276 1.448 0.675 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 898 21.178 -3.130 -5.112 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 898 22.111 -2.918 -5.146 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 898 20.944 -3.028 -4.189 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 899 21.207 -2.393 -2.336 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 899 20.364 -2.125 -1.970 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 899 21.651 -1.571 -2.547 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 900 17.093 9.196 0.106 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 900 17.770 8.564 -0.134 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 900 17.416 9.598 0.914 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 901 17.345 8.134 -2.899 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 901 16.441 8.299 -3.165 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 901 17.773 8.987 -2.965 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 902 19.950 9.704 -2.604 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 902 19.767 10.620 -2.815 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 902 20.125 9.294 -3.451 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 903 15.441 -6.765 -6.490 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 903 14.767 -7.394 -6.236 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 903 16.006 -7.249 -7.094 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 904 12.348 -8.204 -8.855 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 904 13.222 -7.816 -8.886 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 904 12.212 -8.419 -7.933 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 905 6.506 7.615 -11.968 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 905 5.821 7.577 -12.636 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 905 6.508 8.528 -11.680 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 906 13.492 -6.124 -11.966 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 906 13.669 -6.770 -11.283 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 906 13.438 -5.290 -11.498 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 907 8.323 8.535 -14.942 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 907 8.056 8.822 -14.070 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 907 9.095 7.989 -14.791 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 908 18.120 -8.934 2.567 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 908 18.197 -9.360 3.420 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 908 19.014 -8.920 2.224 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 909 21.297 7.139 1.260 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 909 20.514 6.953 0.739 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 909 21.224 8.068 1.476 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 910 8.148 -0.105 15.158 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 910 8.189 -0.731 15.882 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 910 8.851 0.518 15.340 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 911 16.596 8.324 12.079 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 911 17.216 7.647 11.806 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 911 16.389 8.106 12.987 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 912 22.831 -5.686 14.832 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 912 22.880 -5.076 15.568 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 912 23.258 -5.225 14.109 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 913 17.309 -2.893 14.299 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 913 17.453 -3.840 14.319 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 913 17.203 -2.686 13.370 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 914 18.186 -4.661 9.972 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 914 18.832 -4.990 10.597 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 914 18.697 -4.143 9.349 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 915 23.224 -4.208 17.068 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 915 22.535 -3.550 16.973 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 915 23.239 -4.405 18.005 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 916 9.274 -5.874 15.645 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 916 9.056 -5.344 14.879 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 916 8.607 -5.647 16.293 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 917 16.643 3.626 9.189 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 917 16.348 3.304 8.338 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 917 16.320 4.526 9.231 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 918 19.950 -5.370 11.953 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 918 19.736 -6.136 12.485 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 918 20.607 -4.898 12.466 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 919 8.869 -3.982 13.598 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 919 9.482 -3.349 13.971 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 919 9.381 -4.454 12.941 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 920 20.297 -6.655 15.632 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 920 19.562 -6.044 15.594 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 920 20.982 -6.240 15.106 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 921 13.300 -8.568 13.098 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 921 13.184 -9.517 13.043 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 921 12.445 -8.236 13.370 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 922 19.409 4.741 9.349 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 922 19.151 4.051 8.736 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 922 19.480 4.298 10.194 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 923 15.568 0.269 7.598 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 923 14.855 0.804 7.247 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 923 16.259 0.325 6.938 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 924 18.974 0.479 8.550 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 924 18.242 0.707 9.123 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 924 19.421 -0.235 9.005 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 925 17.845 -0.359 6.235 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 925 18.424 -0.209 6.982 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 925 18.259 0.112 5.512 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 926 8.785 0.475 18.012 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 926 8.855 1.126 18.709 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 926 7.894 0.578 17.677 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 927 15.570 6.378 9.670 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 927 16.044 6.673 10.448 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 927 15.008 7.116 9.437 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 928 23.649 5.988 19.402 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 928 23.601 5.033 19.366 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 928 22.823 6.256 19.805 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 929 15.043 9.334 8.085 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 929 14.967 9.213 7.139 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 929 15.075 10.284 8.204 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 930 18.145 8.488 5.088 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 930 18.520 7.744 4.617 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 930 18.148 8.218 6.006 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 931 17.814 8.414 7.837 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 931 16.878 8.514 8.015 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 931 18.093 7.705 8.415 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 932 20.802 -2.519 19.883 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 932 20.395 -2.038 19.163 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 932 20.843 -3.424 19.576 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 933 10.569 -7.665 13.876 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 933 9.709 -7.752 13.468 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 933 10.547 -6.809 14.303 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 934 18.559 -4.187 18.104 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 934 18.044 -4.313 18.901 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 934 18.404 -3.275 17.858 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 935 19.322 0.674 3.865 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 935 19.364 0.451 2.934 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 935 20.171 1.072 4.055 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 936 10.661 -2.699 14.971 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 936 10.018 -2.740 15.680 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 936 10.697 -1.773 14.732 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 937 16.194 -2.062 8.700 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 937 15.784 -1.247 8.408 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 937 16.913 -2.202 8.085 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 938 15.296 -1.887 20.188 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 938 14.732 -2.591 20.508 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 938 16.122 -2.007 20.654 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 939 17.198 -2.616 11.514 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 939 17.003 -2.011 10.799 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 939 17.380 -3.450 11.079 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 940 8.410 -2.379 16.837 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 940 8.373 -1.979 17.706 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 940 7.920 -3.196 16.928 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 941 13.239 -5.051 10.969 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 941 12.329 -4.994 11.258 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 941 13.745 -5.111 11.780 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 942 17.645 -5.816 14.232 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 942 16.968 -5.685 14.896 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 942 17.159 -5.971 13.423 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 943 20.931 9.856 20.509 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 943 21.131 10.280 19.675 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 943 21.587 10.199 21.117 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 944 8.530 2.330 20.117 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 944 9.262 2.584 20.678 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 944 7.750 2.534 20.633 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 945 14.559 -2.263 12.856 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 945 15.123 -2.810 12.309 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 945 14.412 -2.785 13.645 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 946 13.186 -3.875 15.270 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 946 12.351 -3.421 15.380 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 946 13.710 -3.599 16.021 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 947 13.729 2.338 6.955 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 947 12.986 1.831 6.632 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 947 13.595 2.387 7.901 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 948 17.628 -4.848 5.154 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 948 16.689 -4.736 5.003 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 948 17.925 -3.991 5.460 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 949 18.346 -2.981 6.815 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 949 19.238 -3.118 7.134 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 949 18.402 -2.190 6.278 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 950 15.855 3.797 5.980 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 950 15.561 4.623 6.362 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 950 15.152 3.177 6.176 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 951 12.880 -0.389 20.252 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 951 12.584 -0.555 19.357 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 951 13.810 -0.609 20.242 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 952 21.526 6.015 6.974 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 952 21.154 5.189 7.284 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 952 21.803 5.832 6.077 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 953 18.919 3.991 4.795 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 953 19.271 3.611 5.599 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 953 17.970 3.898 4.881 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 954 19.375 7.614 18.190 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 954 18.773 7.059 17.695 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 954 19.655 8.281 17.564 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 955 7.497 -5.153 17.596 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 955 6.604 -4.814 17.529 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 955 7.397 -6.008 18.015 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 956 19.785 2.664 7.021 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 956 19.508 1.936 7.577 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 956 20.712 2.783 7.227 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 957 16.232 -5.412 16.486 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 957 16.930 -5.338 17.137 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 957 15.851 -6.276 16.642 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 958 17.015 -5.760 7.584 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 958 17.236 -5.288 6.781 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 958 17.573 -5.365 8.255 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 959 14.684 6.371 6.447 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 959 13.867 6.868 6.500 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 959 15.213 6.846 5.807 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 960 14.216 -4.032 8.419 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 960 15.027 -3.528 8.465 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 960 13.970 -4.177 9.332 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 961 14.752 -3.046 17.604 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 961 14.870 -2.472 18.361 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 961 15.406 -3.734 17.718 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 962 15.100 -6.951 9.357 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 962 14.752 -6.333 10.002 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 962 15.758 -6.450 8.876 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 963 20.956 -5.139 18.439 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 963 20.040 -4.876 18.351 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 963 21.291 -5.142 17.541 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 964 19.558 -1.388 12.535 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 964 18.761 -1.803 12.206 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 964 20.003 -2.079 13.026 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 965 20.645 7.868 14.157 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 965 20.489 8.546 13.500 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 965 21.576 7.940 14.360 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 966 8.139 -8.014 12.894 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 966 7.910 -7.955 11.966 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 966 7.697 -8.806 13.200 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 967 17.532 5.838 20.733 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 967 17.181 4.982 20.977 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 967 18.259 5.981 21.340 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 968 19.651 6.783 3.614 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 968 19.934 5.989 4.067 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 968 20.392 7.016 3.053 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 969 6.265 2.349 21.338 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 969 6.410 1.447 21.053 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 969 5.492 2.635 20.851 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 970 15.959 3.740 3.207 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 970 15.691 3.920 4.107 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 970 15.752 2.814 3.075 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 971 7.098 -0.451 20.758 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 971 7.506 -1.308 20.638 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 971 6.838 -0.436 21.680 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 972 11.044 -1.442 18.133 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 972 10.427 -0.767 18.413 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 972 11.389 -1.121 17.300 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 973 16.064 1.029 21.410 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 973 17.017 1.113 21.383 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 973 15.905 0.318 22.029 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 974 13.379 -0.278 16.948 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 974 14.130 -0.434 16.375 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 974 13.040 0.574 16.672 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 975 17.794 -2.463 21.976 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 975 17.986 -3.394 21.864 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 975 18.651 -2.038 21.965 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 976 19.111 0.326 20.053 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 976 18.829 1.035 19.476 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 976 20.053 0.253 19.902 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 977 16.582 -4.812 19.779 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 977 15.634 -4.780 19.910 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 977 16.895 -5.437 20.433 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 978 23.361 8.518 14.386 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 978 23.338 8.703 15.325 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 978 24.050 9.087 14.045 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 979 22.924 8.085 17.308 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 979 22.437 7.350 16.937 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 979 23.473 7.692 17.986 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 980 21.375 3.875 21.946 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 980 20.508 3.770 22.340 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 980 21.750 4.634 22.392 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 981 22.675 2.132 7.460 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 981 23.526 2.553 7.588 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 981 22.681 1.392 8.068 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 982 23.069 0.185 9.284 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 982 22.343 -0.294 9.681 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 982 23.651 0.391 10.015 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 983 20.857 -1.294 9.847 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 983 20.706 -2.239 9.827 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 983 20.503 -1.013 10.691 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 984 23.209 -1.421 20.169 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 984 22.346 -1.800 20.005 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 984 23.813 -2.160 20.096 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 985 21.178 -3.130 13.745 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 985 22.111 -2.918 13.710 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 985 20.944 -3.028 14.668 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 986 5.489 -3.945 19.998 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 986 6.409 -4.067 20.233 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 986 5.040 -4.695 20.387 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 987 6.710 -5.633 12.889 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 987 7.155 -6.425 13.191 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 987 7.176 -4.917 13.319 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 988 20.099 8.608 9.957 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 988 20.752 8.261 9.350 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 988 20.610 9.097 10.604 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 989 5.292 -7.638 16.357 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 989 4.627 -7.884 17.000 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 989 4.848 -7.016 15.780 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 990 17.093 9.196 18.962 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 990 17.770 8.564 18.723 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 990 17.416 9.598 19.770 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 991 19.950 9.704 16.253 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 991 19.767 10.620 16.041 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 991 20.125 9.294 15.405 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 992 12.348 -8.204 10.001 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 992 13.222 -7.816 9.971 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 992 12.212 -8.419 10.924 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 993 15.370 8.825 5.286 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 993 16.236 9.191 5.108 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 993 15.123 8.385 4.473 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 994 22.078 8.388 7.966 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 994 21.884 7.640 7.401 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 994 22.040 9.146 7.382 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 995 21.297 7.139 20.116 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 995 20.514 6.953 19.596 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 995 21.224 8.068 20.332 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 996 16.643 3.626 28.044 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 996 16.348 3.304 27.194 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 996 16.320 4.526 28.087 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 997 6.373 3.437 26.358 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 997 6.101 3.666 25.468 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 997 6.418 4.275 26.818 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 998 15.570 6.378 28.526 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 998 16.044 6.673 29.303 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 998 15.008 7.116 28.293 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 999 22.733 5.757 23.280 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 999 22.806 6.696 23.450 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 999 23.637 5.452 23.224 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1000 15.043 9.334 26.941 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1000 14.967 9.213 25.995 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1000 15.075 10.284 27.059 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1001 8.697 8.123 28.721 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1001 8.849 7.775 29.601 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1001 7.846 7.767 28.466 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1002 18.145 8.488 23.944 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1002 18.520 7.744 23.473 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1002 18.148 8.218 24.861 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1003 17.814 8.414 26.693 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1003 16.878 8.514 26.872 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1003 18.093 7.705 27.270 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1004 19.322 0.674 22.721 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1004 19.364 0.451 21.791 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1004 20.171 1.072 22.910 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1005 13.729 2.338 25.811 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1005 12.986 1.831 25.488 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1005 13.595 2.387 26.756 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1006 15.855 3.797 24.835 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1006 15.561 4.623 25.218 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1006 15.152 3.177 25.032 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1007 11.229 5.151 28.985 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1007 11.756 5.924 28.784 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1007 10.349 5.376 28.683 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1008 6.984 0.013 23.572 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1008 7.601 0.640 23.951 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1008 6.123 0.329 23.843 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1009 12.656 2.814 28.561 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1009 12.415 3.739 28.602 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1009 11.916 2.355 28.957 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1010 11.341 7.836 28.105 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1010 10.390 7.941 28.157 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1010 11.691 8.656 28.451 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1011 18.919 3.991 23.651 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1011 19.271 3.611 24.454 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1011 17.970 3.898 23.736 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1012 8.399 1.926 25.064 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1012 7.713 2.278 25.631 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1012 8.922 2.689 24.818 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1013 7.069 5.926 27.910 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1013 6.238 6.399 27.938 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1013 7.615 6.436 27.312 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1014 19.651 6.783 22.470 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1014 19.934 5.989 22.922 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1014 20.392 7.016 21.909 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1015 15.959 3.740 22.062 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1015 15.691 3.920 22.963 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1015 15.752 2.814 21.931 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1016 11.755 0.665 24.633 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1016 11.296 0.181 25.319 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1016 12.011 -0.003 23.997 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1017 12.826 -1.092 22.895 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1017 12.646 -1.246 21.968 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1017 13.777 -0.984 22.940 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1018 22.216 1.263 22.340 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1018 21.944 0.838 21.527 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1018 22.256 2.194 22.123 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1019 6.293 4.235 23.380 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1019 7.207 4.314 23.652 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1019 6.300 3.548 22.712 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1020 21.687 -2.674 23.081 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1020 21.784 -2.007 22.401 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1020 21.547 -3.490 22.599 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1021 6.506 7.615 25.745 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1021 5.821 7.577 25.076 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1021 6.508 8.528 26.032 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1022 8.148 18.751 -3.699 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1022 8.189 18.125 -2.975 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1022 8.851 19.374 -3.517 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1023 5.681 16.861 -9.771 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1023 5.233 17.707 -9.789 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1023 5.120 16.281 -10.285 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1024 10.465 14.064 -7.286 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1024 10.508 14.924 -7.704 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1024 10.006 13.512 -7.918 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1025 7.085 16.461 -6.524 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1025 7.739 15.911 -6.091 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1025 7.109 16.187 -7.440 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1026 13.300 10.288 -5.759 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1026 13.184 9.339 -5.812 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1026 12.445 10.620 -5.486 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1027 10.986 18.734 -4.790 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1027 11.550 18.855 -5.554 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1027 11.305 19.371 -4.152 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1028 15.232 10.913 -1.607 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1028 15.652 10.498 -0.854 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1028 14.300 10.735 -1.490 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1029 10.661 16.157 -3.886 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1029 10.018 16.116 -3.177 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1029 10.697 17.083 -4.123 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1030 10.658 16.378 -8.974 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1030 9.764 16.037 -9.033 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1030 11.108 16.001 -9.729 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1031 15.296 16.969 1.332 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1031 14.732 16.265 1.651 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1031 16.122 16.849 1.798 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1032 8.410 16.477 -2.019 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1032 8.373 16.877 -1.151 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1032 7.920 15.660 -1.929 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1033 6.293 14.339 -12.745 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1033 6.768 14.930 -13.329 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1033 5.575 14.870 -12.398 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1034 13.239 13.805 -7.888 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1034 12.329 13.862 -7.599 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1034 13.745 13.745 -7.077 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1035 8.067 15.434 -9.061 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1035 7.179 15.534 -9.401 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1035 8.364 14.592 -9.407 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1036 17.645 13.040 -4.623 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1036 16.968 13.171 -3.960 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1036 17.159 12.885 -5.434 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1037 9.562 12.729 -9.582 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1037 9.245 11.827 -9.617 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1037 10.343 12.731 -10.134 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1038 13.186 14.981 -3.587 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1038 12.351 15.435 -3.477 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1038 13.710 15.257 -2.835 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1039 5.863 18.950 -0.817 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1039 6.085 18.532 0.014 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1039 5.261 18.337 -1.240 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1040 12.880 18.467 1.395 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1040 12.584 18.301 0.500 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1040 13.810 18.247 1.385 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1041 16.232 13.444 -2.370 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1041 16.930 13.518 -1.720 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1041 15.851 12.580 -2.215 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1042 15.100 11.905 -9.500 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1042 14.752 12.523 -8.854 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1042 15.758 12.406 -9.980 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1043 10.756 12.968 -12.812 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1043 10.674 13.857 -12.466 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1043 11.646 12.703 -12.581 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1044 7.098 18.405 1.902 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1044 7.506 17.548 1.782 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1044 6.838 18.420 2.824 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1045 11.044 17.414 -0.724 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1045 10.427 18.089 -0.442 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1045 11.389 17.735 -1.557 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1046 11.384 14.769 0.359 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1046 11.534 14.040 -0.244 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1046 11.386 15.546 -0.200 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1047 11.796 13.139 -2.149 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1047 12.332 13.590 -2.801 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1047 10.944 13.031 -2.571 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1048 9.863 15.967 2.270 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1048 9.096 15.435 2.061 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1048 10.541 15.657 1.671 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1049 13.867 14.917 1.846 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1049 13.630 14.697 2.748 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1049 13.084 14.710 1.337 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1050 8.043 13.888 1.975 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1050 8.255 13.181 1.364 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1050 7.931 13.450 2.820 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1051 13.178 11.572 3.009 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1051 13.046 11.096 2.187 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1051 12.579 12.316 2.952 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1052 5.489 14.911 1.141 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1052 6.409 14.789 1.377 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1052 5.040 14.161 1.530 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1053 5.014 16.222 -4.899 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1053 5.507 16.001 -5.689 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1053 5.377 17.063 -4.617 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1054 15.441 12.091 -6.490 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1054 14.767 11.462 -6.236 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1054 16.006 11.607 -7.094 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1055 6.604 10.523 -12.866 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1055 7.043 11.134 -13.457 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1055 5.970 11.061 -12.392 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1056 12.348 10.652 -8.855 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1056 13.222 11.040 -8.886 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1056 12.212 10.437 -7.933 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1057 17.904 10.682 -7.207 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1057 17.980 10.777 -8.155 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1057 17.628 9.774 -7.078 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1058 8.466 12.439 -14.422 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1058 8.957 11.809 -14.951 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1058 9.088 12.735 -13.759 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1059 18.120 9.922 2.567 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1059 18.197 9.496 3.420 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1059 19.014 9.936 2.224 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1060 16.846 19.881 10.146 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1060 16.936 20.825 10.014 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1060 16.207 19.606 9.488 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1061 15.780 19.136 13.565 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1061 15.742 18.490 14.270 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1061 15.457 18.670 12.793 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1062 8.148 18.751 15.158 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1062 8.189 18.125 15.882 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1062 8.851 19.374 15.340 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1063 5.681 16.861 9.085 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1063 5.233 17.707 9.068 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1063 5.120 16.281 8.571 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1064 6.391 19.023 11.212 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1064 6.606 18.253 11.739 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1064 7.130 19.112 10.609 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1065 14.168 21.569 13.971 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1065 14.473 20.883 13.377 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1065 14.890 21.687 14.588 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1066 17.309 15.963 14.299 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1066 17.453 15.016 14.319 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1066 17.203 16.170 13.370 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1067 18.186 14.195 9.972 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1067 18.832 13.866 10.597 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1067 18.697 14.713 9.349 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1068 7.085 16.461 12.333 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1068 7.739 15.911 12.764 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1068 7.109 16.187 11.417 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1069 11.844 20.658 15.933 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1069 11.104 21.256 16.035 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1069 12.558 21.212 15.617 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1070 19.950 13.486 11.953 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1070 19.736 12.720 12.485 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1070 20.607 13.958 12.466 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1071 10.252 22.622 16.720 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1071 10.245 23.501 16.341 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1071 9.398 22.539 17.145 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1072 20.297 12.201 15.632 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1072 19.562 12.812 15.594 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1072 20.982 12.616 15.106 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1073 15.568 19.125 7.598 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1073 14.855 19.660 7.247 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1073 16.259 19.181 6.938 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1074 15.622 17.583 4.637 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1074 16.323 17.605 5.288 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1074 15.924 16.955 3.981 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1075 18.870 17.509 17.617 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1075 18.950 18.272 18.190 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1075 18.270 17.788 16.927 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1076 10.619 19.965 10.433 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1076 10.288 19.595 9.614 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1076 11.207 19.295 10.779 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1077 10.986 18.734 14.066 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1077 11.550 18.855 13.303 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1077 11.305 19.371 14.704 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1078 11.866 23.133 18.782 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1078 11.553 23.915 19.239 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1078 11.216 22.980 18.096 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1079 9.608 19.035 8.021 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1079 9.317 19.803 7.531 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1079 8.934 18.375 7.859 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1080 5.701 21.398 16.837 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1080 5.200 21.370 16.021 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1080 5.707 20.492 17.146 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1081 7.950 22.721 17.880 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1081 8.168 22.360 18.739 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1081 7.096 22.347 17.669 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1082 15.232 10.913 17.250 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1082 15.652 10.498 18.003 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1082 14.300 10.735 17.367 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1083 18.559 14.669 18.104 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1083 18.044 14.543 18.901 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1083 18.404 15.581 17.858 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1084 14.895 13.406 4.535 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1084 14.640 13.425 5.458 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1084 14.637 12.534 4.234 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1085 16.194 16.794 8.700 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1085 15.784 17.609 8.408 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1085 16.913 16.654 8.085 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1086 15.296 16.969 20.188 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1086 14.732 16.265 20.508 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1086 16.122 16.849 20.654 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1087 16.462 17.878 16.184 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1087 16.785 17.247 15.542 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1087 16.021 17.343 16.846 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1088 8.530 21.186 20.117 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1088 9.262 21.440 20.678 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1088 7.750 21.390 20.633 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1089 17.628 14.008 5.154 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1089 16.689 14.120 5.003 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1089 17.925 14.865 5.460 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1090 15.249 21.378 18.192 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1090 14.903 20.997 18.998 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1090 15.050 22.312 18.262 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1091 18.346 15.875 6.815 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1091 19.238 15.738 7.134 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1091 18.402 16.666 6.278 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1092 8.854 20.489 12.724 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1092 9.599 20.487 12.123 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1092 8.933 19.665 13.206 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1093 5.863 18.950 18.038 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1093 6.085 18.532 18.870 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1093 5.261 18.337 17.617 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1094 18.687 19.679 13.995 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1094 17.759 19.447 13.969 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1094 19.137 18.902 13.665 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1095 6.984 18.869 4.716 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1095 7.601 19.496 5.095 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1095 6.123 19.185 4.987 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1096 12.656 21.670 9.704 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1096 12.415 22.595 9.747 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1096 11.916 21.211 10.101 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1097 8.399 20.782 6.208 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1097 7.713 21.134 6.775 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1097 8.922 21.545 5.962 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1098 16.232 13.444 16.486 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1098 16.930 13.518 17.137 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1098 15.851 12.580 16.642 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1099 17.015 13.096 7.584 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1099 17.236 13.568 6.781 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1099 17.573 13.491 8.255 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1100 19.558 17.468 12.535 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1100 18.761 17.053 12.206 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1100 20.003 16.777 13.026 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1101 6.265 21.205 21.338 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1101 6.410 20.303 21.053 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1101 5.492 21.491 20.851 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1102 12.921 21.175 20.771 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1102 12.592 21.446 19.913 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1102 13.072 20.234 20.684 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1103 7.098 18.405 20.758 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1103 7.506 17.548 20.638 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1103 6.838 18.420 21.680 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1104 11.755 19.521 5.777 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1104 11.296 19.037 6.463 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1104 12.011 18.853 5.141 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1105 12.826 17.764 4.040 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1105 12.646 17.610 3.112 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1105 13.777 17.872 4.084 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1106 16.064 19.885 21.410 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1106 17.017 19.969 21.383 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1106 15.905 19.174 22.029 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1107 13.379 18.578 16.948 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1107 14.130 18.422 16.375 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1107 13.040 19.430 16.672 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1108 17.794 16.393 21.976 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1108 17.986 15.462 21.864 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1108 18.651 16.818 21.965 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1109 16.582 14.044 19.779 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1109 15.634 14.076 19.910 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1109 16.895 13.419 20.433 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1110 18.216 12.678 21.784 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1110 18.119 11.726 21.777 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1110 17.895 12.947 22.645 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1111 13.178 11.572 21.864 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1111 13.046 11.096 21.044 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1111 12.579 12.316 21.809 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1112 20.857 17.562 9.847 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1112 20.706 16.617 9.827 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1112 20.503 17.843 10.691 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1113 5.892 19.640 13.857 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1113 6.075 19.558 12.921 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1113 6.740 19.516 14.280 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1114 20.567 15.145 8.309 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1114 20.846 14.238 8.434 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1114 21.325 15.579 7.920 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1115 21.178 15.726 13.745 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1115 22.111 15.938 13.710 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1115 20.944 15.828 14.668 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1116 5.489 14.911 19.998 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1116 6.409 14.789 20.233 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1116 5.040 14.161 20.387 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1117 21.181 12.408 8.358 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1117 21.363 11.959 9.183 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1117 20.581 11.823 7.894 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1118 5.014 16.222 13.957 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1118 5.507 16.001 13.168 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1118 5.377 17.063 14.239 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1119 22.011 10.642 18.043 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1119 21.198 10.967 17.654 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1119 22.245 9.882 17.509 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1120 20.584 10.198 12.478 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1120 21.188 10.746 11.976 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1120 19.715 10.518 12.238 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1121 22.311 11.337 10.812 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1121 22.922 10.823 10.285 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1121 22.694 12.215 10.835 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1122 17.904 10.682 11.649 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1122 17.980 10.777 10.700 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1122 17.628 9.774 11.779 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1123 19.258 10.708 7.343 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1123 18.555 11.322 7.133 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1123 18.812 9.870 7.474 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1124 18.120 9.922 21.422 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1124 18.197 9.496 22.276 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1124 19.014 9.936 21.081 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1125 15.622 17.583 23.492 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1125 16.323 17.605 24.143 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1125 15.924 16.955 22.837 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1126 14.895 13.406 23.391 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1126 14.640 13.425 24.314 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1126 14.637 12.534 23.090 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1127 6.293 14.339 24.968 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1127 6.768 14.930 24.383 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1127 5.575 14.870 25.315 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1128 11.720 15.434 26.308 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1128 12.652 15.563 26.486 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1128 11.505 16.104 25.659 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1129 10.395 16.629 23.875 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1129 9.852 16.249 23.184 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1129 11.229 16.823 23.446 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1130 9.562 12.729 28.130 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1130 9.245 11.827 28.095 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1130 10.343 12.731 27.578 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1131 6.984 18.869 23.572 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1131 7.601 19.496 23.951 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1131 6.123 19.185 23.843 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1132 8.399 20.782 25.064 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1132 7.713 21.134 25.631 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1132 8.922 21.545 24.818 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1133 17.015 13.096 26.440 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1133 17.236 13.568 25.637 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1133 17.573 13.491 27.111 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1134 15.100 11.905 28.212 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1134 14.752 12.523 28.858 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1134 15.758 12.406 27.732 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1135 10.756 12.968 24.901 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1135 10.674 13.857 25.247 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1135 11.646 12.703 25.131 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1136 7.332 16.060 23.077 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1136 7.287 16.999 23.255 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1136 6.444 15.824 22.806 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1137 10.607 21.549 22.327 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1137 10.671 20.755 22.858 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1137 11.259 21.430 21.638 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1138 11.755 19.521 24.633 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1138 11.296 19.037 25.319 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1138 12.011 18.853 23.997 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1139 12.826 17.764 22.895 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1139 12.646 17.610 21.968 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1139 13.777 17.872 22.940 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1140 7.768 10.725 29.044 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1140 6.990 10.491 28.535 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1140 8.299 9.928 29.052 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1141 6.604 10.523 24.846 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1141 7.043 11.134 24.256 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1141 5.970 11.061 25.320 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1142 12.348 10.652 28.857 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1142 13.222 11.040 28.826 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1142 12.212 10.437 29.779 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1143 8.466 12.439 23.290 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1143 8.957 11.809 22.761 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1143 9.088 12.735 23.953 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1144 13.492 12.732 25.747 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1144 13.669 12.086 26.430 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1144 13.438 13.566 26.213 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1145 27.004 -0.105 15.158 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1145 27.046 -0.731 15.882 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1145 27.707 0.518 15.340 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1146 27.928 4.345 13.693 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1146 27.558 3.543 13.324 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1146 28.869 4.176 13.739 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1147 25.248 0.167 11.212 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1147 25.462 -0.603 11.739 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1147 25.986 0.256 10.609 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1148 25.941 -2.395 12.333 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1148 26.595 -2.945 12.764 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1148 25.965 -2.669 11.417 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1149 29.108 3.766 16.720 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1149 29.102 4.645 16.341 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1149 28.254 3.683 17.145 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1150 27.642 0.475 18.012 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1150 27.712 1.126 18.709 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1150 26.751 0.578 17.677 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1151 24.309 5.322 13.721 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1151 25.255 5.178 13.702 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1151 24.196 6.106 14.258 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1152 26.806 3.865 17.880 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1152 27.024 3.504 18.739 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1152 25.952 3.491 17.669 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1153 27.267 -2.379 16.837 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1153 27.229 -1.979 17.706 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1153 26.776 -3.196 16.928 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1154 27.386 2.330 20.117 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1154 28.119 2.584 20.678 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1154 26.606 2.534 20.633 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1155 27.711 1.633 12.724 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1155 28.456 1.631 12.123 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1155 27.789 0.809 13.206 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1156 26.004 6.652 16.032 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1156 26.221 5.720 16.001 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1156 26.251 6.926 16.916 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1157 25.215 8.539 20.384 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1157 25.755 8.322 21.144 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1157 24.733 7.733 20.195 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1158 25.122 2.349 21.338 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1158 25.266 1.447 21.053 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1158 24.349 2.635 20.851 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1159 25.954 -0.451 20.758 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1159 26.362 -1.308 20.638 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1159 25.694 -0.436 21.680 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1160 24.668 7.709 11.405 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1160 24.334 6.828 11.578 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1160 24.890 8.054 12.270 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1161 24.748 0.784 13.857 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1161 24.931 0.702 12.921 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1161 25.597 0.660 14.280 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1162 24.346 -3.945 19.998 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1162 25.265 -4.067 20.233 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1162 23.896 -4.695 20.387 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1163 23.870 -2.634 13.957 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1163 24.363 -2.855 13.168 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1163 24.233 -1.793 14.239 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1164 26.340 5.537 20.501 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1164 25.519 5.712 20.041 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1164 26.088 5.464 21.422 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1165 26.111 8.391 13.718 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1165 26.092 7.966 14.575 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1165 26.916 8.073 13.309 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1166 25.149 4.235 23.380 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1166 26.062 4.314 23.652 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1166 25.156 3.548 22.712 0.00 0.00 WAT1 END