REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -794.425, 82.4673, 110.755, 53.4611, 560.274, -609.006, -996.582, 4.152, 5.469356E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.422949E-03,0.448192,1.22052,42.2973,4.783115E-03,7.736243E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 41, 2 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:26 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 6.069 1.593 -3.586 1.00 51.45 ATOM 2 CB MET 1 5.890 2.092 -1.508 1.00 42.21 ATOM 3 HB1 MET 1 6.881 2.512 -1.412 1.00 39.96 ATOM 4 HB2 MET 1 5.637 1.585 -0.589 1.00 65.35 ATOM 5 CG MET 1 4.908 3.240 -1.699 1.00 54.53 ATOM 6 HG1 MET 1 3.912 2.834 -1.801 1.00 39.96 ATOM 7 HG2 MET 1 5.170 3.778 -2.598 1.00 72.12 ATOM 8 SD MET 1 4.921 4.397 -0.316 1.00 43.10 ATOM 9 CE MET 1 6.611 4.996 -0.375 1.00 21.51 ATOM 10 HE1 MET 1 6.789 5.476 -1.327 1.00 13.44 ATOM 11 HE2 MET 1 7.291 4.166 -0.256 1.00 75.44 ATOM 12 HE3 MET 1 6.772 5.707 0.422 1.00 33.12 ATOM 13 C MET 1 7.036 0.061 -2.445 1.00 3.05 ATOM 14 O MET 1 8.174 0.453 -2.179 1.00 53.20 ATOM 15 N MET 1 4.571 0.394 -2.756 1.00 11.32 ATOM 16 HT1 MET 1 4.388 -0.174 -1.899 1.00 39.96 ATOM 17 HT2 MET 1 4.551 -0.232 -3.589 1.00 39.96 ATOM 18 HT3 MET 1 3.810 1.096 -2.858 1.00 39.96 ATOM 19 CA MET 1 5.894 1.071 -2.656 1.00 53.35 ATOM 20 N GLY 2 6.736 -1.234 -2.564 1.00 13.31 ATOM 21 HN GLY 2 5.812 -1.500 -2.763 1.00 39.96 ATOM 22 CA GLY 2 7.762 -2.264 -2.412 1.00 71.13 ATOM 23 HA1 GLY 2 7.279 -3.215 -2.234 1.00 39.96 ATOM 24 HA2 GLY 2 8.378 -2.022 -1.557 1.00 21.24 ATOM 25 C GLY 2 8.653 -2.387 -3.645 1.00 30.52 ATOM 26 O GLY 2 8.677 -3.425 -4.307 1.00 31.31 ATOM 27 N HIS 3 9.408 -1.327 -3.936 1.00 11.24 ATOM 28 HN HIS 3 9.419 -0.570 -3.310 1.00 39.96 ATOM 29 CA HIS 3 10.222 -1.252 -5.155 1.00 54.12 ATOM 30 HA HIS 3 9.574 -1.474 -5.993 1.00 24.23 ATOM 31 CB HIS 3 10.771 0.174 -5.322 1.00 64.23 ATOM 32 HB1 HIS 3 11.585 0.323 -4.625 1.00 39.96 ATOM 33 HB2 HIS 3 9.987 0.882 -5.102 1.00 35.01 ATOM 34 CG HIS 3 11.281 0.477 -6.699 1.00 60.23 ATOM 35 ND1 HIS 3 10.449 0.725 -7.771 1.00 35.21 ATOM 36 HD1 HIS 3 9.466 0.719 -7.750 1.00 40.32 ATOM 37 CD2 HIS 3 12.543 0.584 -7.179 1.00 20.54 ATOM 38 HD2 HIS 3 13.457 0.453 -6.616 1.00 44.13 ATOM 39 CE1 HIS 3 11.172 0.967 -8.842 1.00 25.21 ATOM 40 HE1 HIS 3 10.789 1.190 -9.826 1.00 10.01 ATOM 41 NE2 HIS 3 12.444 0.888 -8.513 1.00 1.13 ATOM 42 HE2 HIS 3 13.183 0.861 -9.152 1.00 39.96 ATOM 43 C HIS 3 11.371 -2.281 -5.141 1.00 43.24 ATOM 44 O HIS 3 11.930 -2.616 -6.186 1.00 63.41 ATOM 45 N HIS 4 11.724 -2.767 -3.952 1.00 41.03 ATOM 46 HN HIS 4 11.293 -2.406 -3.146 1.00 39.96 ATOM 47 CA HIS 4 12.735 -3.823 -3.809 1.00 74.31 ATOM 48 HA HIS 4 13.301 -3.864 -4.730 1.00 72.40 ATOM 49 CB HIS 4 13.694 -3.496 -2.658 1.00 72.02 ATOM 50 HB1 HIS 4 14.395 -4.310 -2.537 1.00 39.96 ATOM 51 HB2 HIS 4 13.128 -3.376 -1.746 1.00 31.35 ATOM 52 CG HIS 4 14.480 -2.241 -2.882 1.00 10.05 ATOM 53 ND1 HIS 4 15.630 -2.204 -3.636 1.00 13.34 ATOM 54 HD1 HIS 4 16.037 -2.967 -4.103 1.00 51.40 ATOM 55 CD2 HIS 4 14.279 -0.973 -2.449 1.00 4.52 ATOM 56 HD2 HIS 4 13.469 -0.629 -1.821 1.00 72.13 ATOM 57 CE1 HIS 4 16.103 -0.976 -3.656 1.00 72.31 ATOM 58 HE1 HIS 4 17.000 -0.654 -4.165 1.00 60.23 ATOM 59 NE2 HIS 4 15.303 -0.208 -2.948 1.00 24.34 ATOM 60 HE2 HIS 4 15.309 0.772 -2.975 1.00 39.96 ATOM 61 C HIS 4 12.076 -5.196 -3.583 1.00 73.52 ATOM 62 O HIS 4 11.087 -5.311 -2.858 1.00 24.23 ATOM 63 N HIS 5 12.649 -6.235 -4.185 1.00 44.02 ATOM 64 HN HIS 5 13.509 -6.102 -4.642 1.00 39.96 ATOM 65 CA HIS 5 12.039 -7.574 -4.196 1.00 1.44 ATOM 66 HA HIS 5 10.966 -7.451 -4.188 1.00 40.20 ATOM 67 CB HIS 5 12.444 -8.288 -5.496 1.00 12.53 ATOM 68 HB1 HIS 5 13.490 -8.557 -5.437 1.00 39.96 ATOM 69 HB2 HIS 5 12.302 -7.614 -6.327 1.00 40.31 ATOM 70 CG HIS 5 11.663 -9.536 -5.785 1.00 62.43 ATOM 71 ND1 HIS 5 12.137 -10.798 -5.510 1.00 73.01 ATOM 72 HD1 HIS 5 13.000 -11.007 -5.093 1.00 40.20 ATOM 73 CD2 HIS 5 10.442 -9.712 -6.345 1.00 13.14 ATOM 74 HD2 HIS 5 9.774 -8.932 -6.685 1.00 73.41 ATOM 75 CE1 HIS 5 11.249 -11.693 -5.887 1.00 24.42 ATOM 76 HE1 HIS 5 11.356 -12.764 -5.796 1.00 5.11 ATOM 77 NE2 HIS 5 10.212 -11.064 -6.397 1.00 31.22 ATOM 78 HE2 HIS 5 9.508 -11.495 -6.931 1.00 39.96 ATOM 79 C HIS 5 12.447 -8.418 -2.964 1.00 11.20 ATOM 80 O HIS 5 12.399 -9.648 -3.001 1.00 24.23 ATOM 81 N HIS 6 12.807 -7.758 -1.864 1.00 55.30 ATOM 82 HN HIS 6 12.785 -6.781 -1.871 1.00 39.96 ATOM 83 CA HIS 6 13.216 -8.460 -0.635 1.00 52.12 ATOM 84 HA HIS 6 13.813 -9.312 -0.931 1.00 74.13 ATOM 85 CB HIS 6 14.075 -7.545 0.254 1.00 75.54 ATOM 86 HB1 HIS 6 14.183 -8.000 1.229 1.00 39.96 ATOM 87 HB2 HIS 6 13.576 -6.594 0.366 1.00 75.42 ATOM 88 CG HIS 6 15.449 -7.278 -0.283 1.00 62.22 ATOM 89 ND1 HIS 6 16.204 -6.185 0.085 1.00 63.51 ATOM 90 HD1 HIS 6 15.927 -5.474 0.708 1.00 0.20 ATOM 91 CD2 HIS 6 16.219 -7.989 -1.140 1.00 44.23 ATOM 92 HD2 HIS 6 15.946 -8.911 -1.632 1.00 40.02 ATOM 93 CE1 HIS 6 17.373 -6.235 -0.522 1.00 40.11 ATOM 94 HE1 HIS 6 18.166 -5.507 -0.425 1.00 31.23 ATOM 95 NE2 HIS 6 17.409 -7.317 -1.269 1.00 41.01 ATOM 96 HE2 HIS 6 18.086 -7.500 -1.952 1.00 39.96 ATOM 97 C HIS 6 12.011 -8.968 0.176 1.00 73.04 ATOM 98 O HIS 6 10.940 -8.361 0.170 1.00 4.22 ATOM 99 N HIS 7 12.202 -10.090 0.873 1.00 1.33 ATOM 100 HN HIS 7 13.052 -10.572 0.769 1.00 39.96 ATOM 101 CA HIS 7 11.188 -10.629 1.789 1.00 74.44 ATOM 102 HA HIS 7 10.630 -9.792 2.191 1.00 30.23 ATOM 103 CB HIS 7 10.217 -11.561 1.040 1.00 65.42 ATOM 104 HB1 HIS 7 9.848 -11.049 0.161 1.00 39.96 ATOM 105 HB2 HIS 7 9.383 -11.790 1.687 1.00 40.15 ATOM 106 CG HIS 7 10.821 -12.867 0.597 1.00 30.04 ATOM 107 ND1 HIS 7 11.366 -13.067 -0.653 1.00 35.22 ATOM 108 HD1 HIS 7 11.417 -12.399 -1.373 1.00 73.42 ATOM 109 CD2 HIS 7 10.953 -14.050 1.248 1.00 45.44 ATOM 110 HD2 HIS 7 10.633 -14.264 2.258 1.00 24.32 ATOM 111 CE1 HIS 7 11.804 -14.306 -0.750 1.00 53.11 ATOM 112 HE1 HIS 7 12.279 -14.741 -1.618 1.00 45.12 ATOM 113 NE2 HIS 7 11.569 -14.924 0.387 1.00 60.14 ATOM 114 HE2 HIS 7 11.974 -15.780 0.649 1.00 39.96 ATOM 115 C HIS 7 11.854 -11.378 2.958 1.00 45.02 ATOM 116 O HIS 7 12.899 -12.010 2.780 1.00 24.14 ATOM 117 N HIS 8 11.245 -11.316 4.143 1.00 63.14 ATOM 118 HN HIS 8 10.404 -10.817 4.221 1.00 39.96 ATOM 119 CA HIS 8 11.796 -11.976 5.337 1.00 53.04 ATOM 120 HA HIS 8 12.804 -11.611 5.478 1.00 32.13 ATOM 121 CB HIS 8 10.962 -11.606 6.570 1.00 72.12 ATOM 122 HB1 HIS 8 9.939 -11.918 6.410 1.00 39.96 ATOM 123 HB2 HIS 8 10.985 -10.534 6.702 1.00 51.43 ATOM 124 CG HIS 8 11.443 -12.233 7.847 1.00 70.54 ATOM 125 ND1 HIS 8 12.640 -11.902 8.442 1.00 43.23 ATOM 126 HD1 HIS 8 13.284 -11.240 8.104 1.00 33.24 ATOM 127 CD2 HIS 8 10.880 -13.174 8.645 1.00 12.44 ATOM 128 HD2 HIS 8 9.930 -13.666 8.487 1.00 74.12 ATOM 129 CE1 HIS 8 12.793 -12.607 9.545 1.00 44.01 ATOM 130 HE1 HIS 8 13.638 -12.554 10.215 1.00 14.21 ATOM 131 NE2 HIS 8 11.741 -13.385 9.693 1.00 2.21 ATOM 132 HE2 HIS 8 11.517 -13.872 10.515 1.00 39.96 ATOM 133 C HIS 8 11.845 -13.505 5.169 1.00 1.02 ATOM 134 O HIS 8 10.870 -14.125 4.740 1.00 23.05 ATOM 135 N SER 9 12.985 -14.104 5.511 1.00 42.44 ATOM 136 HN SER 9 13.721 -13.557 5.862 1.00 39.96 ATOM 137 CA SER 9 13.173 -15.558 5.376 1.00 13.22 ATOM 138 HA SER 9 12.709 -15.864 4.448 1.00 70.22 ATOM 139 CB SER 9 14.668 -15.903 5.316 1.00 24.54 ATOM 140 HB1 SER 9 15.136 -15.635 6.252 1.00 39.96 ATOM 141 HB2 SER 9 15.131 -15.350 4.511 1.00 71.44 ATOM 142 OG SER 9 14.871 -17.291 5.087 1.00 55.13 ATOM 143 HG SER 9 15.770 -17.432 4.766 1.00 40.53 ATOM 144 C SER 9 12.504 -16.327 6.529 1.00 15.52 ATOM 145 O SER 9 11.897 -15.733 7.419 1.00 20.43 ATOM 146 N HIS 10 12.627 -17.652 6.507 1.00 22.23 ATOM 147 HN HIS 10 13.170 -18.063 5.801 1.00 39.96 ATOM 148 CA HIS 10 11.992 -18.517 7.510 1.00 61.33 ATOM 149 HA HIS 10 11.013 -18.109 7.722 1.00 32.01 ATOM 150 CB HIS 10 11.819 -19.937 6.946 1.00 51.24 ATOM 151 HB1 HIS 10 12.768 -20.285 6.564 1.00 39.96 ATOM 152 HB2 HIS 10 11.104 -19.909 6.136 1.00 44.41 ATOM 153 CG HIS 10 11.329 -20.941 7.951 1.00 62.54 ATOM 154 ND1 HIS 10 10.011 -21.036 8.343 1.00 55.34 ATOM 155 HD1 HIS 10 9.271 -20.479 8.015 1.00 5.52 ATOM 156 CD2 HIS 10 11.994 -21.895 8.652 1.00 31.50 ATOM 157 HD2 HIS 10 13.053 -22.109 8.600 1.00 55.30 ATOM 158 CE1 HIS 10 9.884 -22.000 9.234 1.00 75.14 ATOM 159 HE1 HIS 10 8.963 -22.297 9.715 1.00 43.30 ATOM 160 NE2 HIS 10 11.070 -22.536 9.439 1.00 51.12 ATOM 161 HE2 HIS 10 11.237 -23.348 9.965 1.00 39.96 ATOM 162 C HIS 10 12.798 -18.567 8.820 1.00 51.21 ATOM 163 O HIS 10 13.941 -19.018 8.841 1.00 5.31 ATOM 164 N MET 11 12.186 -18.106 9.908 1.00 42.14 ATOM 165 HN MET 11 11.312 -17.673 9.810 1.00 39.96 ATOM 166 CA MET 11 12.778 -18.222 11.245 1.00 21.20 ATOM 167 HA MET 11 13.794 -17.854 11.197 1.00 75.03 ATOM 168 CB MET 11 11.973 -17.365 12.237 1.00 74.25 ATOM 169 HB1 MET 11 10.972 -17.768 12.310 1.00 39.96 ATOM 170 HB2 MET 11 11.913 -16.357 11.854 1.00 31.45 ATOM 171 CG MET 11 12.562 -17.301 13.640 1.00 24.12 ATOM 172 HG1 MET 11 13.581 -16.946 13.575 1.00 39.96 ATOM 173 HG2 MET 11 12.552 -18.293 14.069 1.00 40.23 ATOM 174 SD MET 11 11.632 -16.195 14.724 1.00 51.54 ATOM 175 CE MET 11 12.560 -16.339 16.249 1.00 14.41 ATOM 176 HE1 MET 11 12.114 -15.708 17.004 1.00 42.34 ATOM 177 HE2 MET 11 13.582 -16.031 16.079 1.00 54.04 ATOM 178 HE3 MET 11 12.544 -17.366 16.584 1.00 63.55 ATOM 179 C MET 11 12.794 -19.699 11.683 1.00 12.04 ATOM 180 O MET 11 11.755 -20.364 11.668 1.00 74.33 ATOM 181 N ASN 12 13.969 -20.213 12.058 1.00 60.12 ATOM 182 HN ASN 12 14.746 -19.617 12.153 1.00 39.96 ATOM 183 CA ASN 12 14.135 -21.650 12.333 1.00 72.42 ATOM 184 HA ASN 12 13.925 -22.174 11.412 1.00 32.42 ATOM 185 CB ASN 12 15.579 -21.967 12.747 1.00 20.43 ATOM 186 HB1 ASN 12 15.648 -23.012 13.018 1.00 39.96 ATOM 187 HB2 ASN 12 15.844 -21.362 13.602 1.00 73.42 ATOM 188 CG ASN 12 16.583 -21.695 11.639 1.00 61.22 ATOM 189 OD1 ASN 12 16.422 -20.780 10.841 1.00 64.12 ATOM 190 ND2 ASN 12 17.632 -22.487 11.578 1.00 63.03 ATOM 191 HD21 ASN 12 17.715 -23.204 12.238 1.00 74.20 ATOM 192 HD22 ASN 12 18.286 -22.326 10.870 1.00 50.12 ATOM 193 C ASN 12 13.169 -22.170 13.411 1.00 63.30 ATOM 194 O ASN 12 12.783 -21.445 14.335 1.00 24.55 ATOM 195 N SER 13 12.800 -23.444 13.283 1.00 71.23 ATOM 196 HN SER 13 13.156 -23.962 12.528 1.00 39.96 ATOM 197 CA SER 13 11.888 -24.104 14.226 1.00 10.52 ATOM 198 HA SER 13 10.919 -23.633 14.137 1.00 20.25 ATOM 199 CB SER 13 11.755 -25.590 13.878 1.00 44.23 ATOM 200 HB1 SER 13 11.340 -25.690 12.885 1.00 39.96 ATOM 201 HB2 SER 13 11.100 -26.070 14.592 1.00 61.51 ATOM 202 OG SER 13 13.019 -26.235 13.913 1.00 44.02 ATOM 203 HG SER 13 13.105 -26.812 13.144 1.00 40.15 ATOM 204 C SER 13 12.378 -23.961 15.669 1.00 53.21 ATOM 205 O SER 13 11.610 -23.623 16.568 1.00 53.53 ATOM 206 N ALA 14 13.662 -24.221 15.887 1.00 34.24 ATOM 207 HN ALA 14 14.214 -24.544 15.142 1.00 39.96 ATOM 208 CA ALA 14 14.268 -24.060 17.212 1.00 70.04 ATOM 209 HA ALA 14 13.776 -24.750 17.885 1.00 72.03 ATOM 210 CB ALA 14 15.743 -24.428 17.162 1.00 21.22 ATOM 211 HB1 ALA 14 16.161 -24.379 18.158 1.00 43.15 ATOM 212 HB2 ALA 14 16.267 -23.736 16.519 1.00 32.21 ATOM 213 HB3 ALA 14 15.852 -25.431 16.776 1.00 71.51 ATOM 214 C ALA 14 14.093 -22.632 17.753 1.00 31.11 ATOM 215 O ALA 14 13.766 -22.439 18.923 1.00 3.21 ATOM 216 N GLU 15 14.291 -21.638 16.885 1.00 40.41 ATOM 217 HN GLU 15 14.510 -21.856 15.957 1.00 39.96 ATOM 218 CA GLU 15 14.173 -20.227 17.274 1.00 71.44 ATOM 219 HA GLU 15 14.877 -20.046 18.075 1.00 41.52 ATOM 220 CB GLU 15 14.526 -19.311 16.092 1.00 53.15 ATOM 221 HB1 GLU 15 14.369 -18.284 16.391 1.00 39.96 ATOM 222 HB2 GLU 15 13.864 -19.538 15.268 1.00 31.54 ATOM 223 CG GLU 15 15.962 -19.447 15.596 1.00 71.14 ATOM 224 HG1 GLU 15 16.103 -20.448 15.212 1.00 39.96 ATOM 225 HG2 GLU 15 16.635 -19.285 16.427 1.00 42.12 ATOM 226 CD GLU 15 16.290 -18.448 14.494 1.00 45.01 ATOM 227 OE1 GLU 15 16.556 -17.268 14.811 1.00 51.00 ATOM 228 OE2 GLU 15 16.272 -18.829 13.308 1.00 22.33 ATOM 229 C GLU 15 12.759 -19.895 17.780 1.00 23.41 ATOM 230 O GLU 15 12.593 -19.335 18.868 1.00 34.22 ATOM 231 N GLN 16 11.742 -20.246 16.989 1.00 24.00 ATOM 232 HN GLN 16 11.934 -20.684 16.129 1.00 39.96 ATOM 233 CA GLN 16 10.346 -19.986 17.370 1.00 11.50 ATOM 234 HA GLN 16 10.267 -18.935 17.617 1.00 13.14 ATOM 235 CB GLN 16 9.389 -20.291 16.202 1.00 50.43 ATOM 236 HB1 GLN 16 9.718 -19.740 15.332 1.00 39.96 ATOM 237 HB2 GLN 16 8.396 -19.956 16.471 1.00 61.01 ATOM 238 CG GLN 16 9.308 -21.769 15.828 1.00 54.33 ATOM 239 HG1 GLN 16 9.032 -22.333 16.709 1.00 39.96 ATOM 240 HG2 GLN 16 10.280 -22.093 15.489 1.00 3.02 ATOM 241 CD GLN 16 8.296 -22.055 14.728 1.00 14.00 ATOM 242 OE1 GLN 16 8.050 -21.228 13.856 1.00 52.24 ATOM 243 NE2 GLN 16 7.699 -23.230 14.764 1.00 21.23 ATOM 244 HE21 GLN 16 7.935 -23.847 15.485 1.00 75.13 ATOM 245 HE22 GLN 16 7.038 -23.432 14.070 1.00 65.31 ATOM 246 C GLN 16 9.943 -20.808 18.608 1.00 50.52 ATOM 247 O GLN 16 9.129 -20.363 19.422 1.00 24.22 ATOM 248 N THR 17 10.520 -22.007 18.745 1.00 62.53 ATOM 249 HN THR 17 11.139 -22.317 18.050 1.00 39.96 ATOM 250 CA THR 17 10.247 -22.879 19.899 1.00 14.55 ATOM 251 HA THR 17 9.174 -23.014 19.960 1.00 53.44 ATOM 252 CB THR 17 10.898 -24.277 19.735 1.00 63.41 ATOM 253 HB THR 17 11.967 -24.150 19.627 1.00 53.11 ATOM 254 OG1 THR 17 10.388 -24.923 18.559 1.00 42.13 ATOM 255 HG1 THR 17 11.056 -24.901 17.869 1.00 30.45 ATOM 256 CG2 THR 17 10.633 -25.164 20.951 1.00 71.52 ATOM 257 HG21 THR 17 11.097 -26.129 20.802 1.00 21.32 ATOM 258 HG22 THR 17 9.568 -25.295 21.079 1.00 54.20 ATOM 259 HG23 THR 17 11.046 -24.698 21.835 1.00 22.55 ATOM 260 C THR 17 10.734 -22.244 21.208 1.00 14.21 ATOM 261 O THR 17 10.028 -22.271 22.214 1.00 73.11 ATOM 262 N VAL 18 11.941 -21.669 21.191 1.00 31.13 ATOM 263 HN VAL 18 12.493 -21.736 20.382 1.00 39.96 ATOM 264 CA VAL 18 12.463 -20.944 22.361 1.00 60.11 ATOM 265 HA VAL 18 12.614 -21.662 23.156 1.00 1.11 ATOM 266 CB VAL 18 13.823 -20.257 22.052 1.00 11.44 ATOM 267 HB VAL 18 13.668 -19.557 21.241 1.00 55.31 ATOM 268 CG1 VAL 18 14.332 -19.473 23.262 1.00 50.12 ATOM 269 HG11 VAL 18 13.605 -18.725 23.541 1.00 40.44 ATOM 270 HG12 VAL 18 15.265 -18.989 23.013 1.00 21.44 ATOM 271 HG13 VAL 18 14.489 -20.148 24.090 1.00 60.40 ATOM 272 CG2 VAL 18 14.863 -21.281 21.600 1.00 54.44 ATOM 273 HG21 VAL 18 15.033 -21.998 22.390 1.00 33.13 ATOM 274 HG22 VAL 18 15.791 -20.776 21.367 1.00 15.31 ATOM 275 HG23 VAL 18 14.506 -21.796 20.721 1.00 10.44 ATOM 276 C VAL 18 11.458 -19.881 22.836 1.00 22.42 ATOM 277 O VAL 18 11.065 -19.855 24.003 1.00 62.04 ATOM 278 N THR 19 11.028 -19.023 21.910 1.00 2.23 ATOM 279 HN THR 19 11.397 -19.081 21.003 1.00 39.96 ATOM 280 CA THR 19 10.020 -17.992 22.204 1.00 52.22 ATOM 281 HA THR 19 10.424 -17.337 22.965 1.00 63.03 ATOM 282 CB THR 19 9.702 -17.143 20.947 1.00 71.25 ATOM 283 HB THR 19 9.284 -17.795 20.191 1.00 3.20 ATOM 284 OG1 THR 19 10.905 -16.550 20.432 1.00 21.03 ATOM 285 HG1 THR 19 10.763 -15.605 20.285 1.00 25.14 ATOM 286 CG2 THR 19 8.684 -16.047 21.259 1.00 52.05 ATOM 287 HG21 THR 19 9.077 -15.396 22.026 1.00 63.21 ATOM 288 HG22 THR 19 7.765 -16.496 21.605 1.00 53.11 ATOM 289 HG23 THR 19 8.488 -15.473 20.365 1.00 74.41 ATOM 290 C THR 19 8.713 -18.616 22.721 1.00 51.00 ATOM 291 O THR 19 8.089 -18.101 23.649 1.00 0.14 ATOM 292 N TRP 20 8.317 -19.737 22.120 1.00 63.13 ATOM 293 HN TRP 20 8.866 -20.106 21.397 1.00 39.96 ATOM 294 CA TRP 20 7.089 -20.441 22.504 1.00 23.13 ATOM 295 HA TRP 20 6.269 -19.739 22.423 1.00 5.44 ATOM 296 CB TRP 20 6.837 -21.603 21.534 1.00 12.14 ATOM 297 HB1 TRP 20 7.670 -22.290 21.584 1.00 39.96 ATOM 298 HB2 TRP 20 6.765 -21.211 20.528 1.00 15.35 ATOM 299 CG TRP 20 5.580 -22.370 21.821 1.00 34.21 ATOM 300 CD1 TRP 20 4.316 -21.865 21.908 1.00 11.54 ATOM 301 HD1 TRP 20 4.067 -20.821 21.784 1.00 54.03 ATOM 302 CD2 TRP 20 5.465 -23.781 22.040 1.00 61.33 ATOM 303 NE1 TRP 20 3.423 -22.873 22.173 1.00 14.55 ATOM 304 HE1 TRP 20 2.455 -22.762 22.284 1.00 0.13 ATOM 305 CE2 TRP 20 4.104 -24.057 22.264 1.00 61.54 ATOM 306 CE3 TRP 20 6.381 -24.834 22.077 1.00 35.13 ATOM 307 HE3 TRP 20 7.435 -24.663 21.911 1.00 13.13 ATOM 308 CZ2 TRP 20 3.636 -25.341 22.516 1.00 61.11 ATOM 309 HZ2 TRP 20 2.589 -25.543 22.687 1.00 70.02 ATOM 310 CZ3 TRP 20 5.915 -26.111 22.326 1.00 73.54 ATOM 311 HZ3 TRP 20 6.608 -26.939 22.358 1.00 52.40 ATOM 312 CH2 TRP 20 4.554 -26.355 22.543 1.00 4.41 ATOM 313 HH2 TRP 20 4.234 -27.368 22.738 1.00 31.24 ATOM 314 C TRP 20 7.156 -20.954 23.956 1.00 14.25 ATOM 315 O TRP 20 6.173 -20.889 24.697 1.00 32.25 ATOM 316 N LEU 21 8.318 -21.453 24.362 1.00 70.34 ATOM 317 HN LEU 21 9.061 -21.510 23.723 1.00 39.96 ATOM 318 CA LEU 21 8.513 -21.928 25.736 1.00 65.51 ATOM 319 HA LEU 21 7.671 -22.558 25.988 1.00 61.03 ATOM 320 CB LEU 21 9.798 -22.762 25.835 1.00 4.54 ATOM 321 HB1 LEU 21 9.921 -23.075 26.862 1.00 39.96 ATOM 322 HB2 LEU 21 10.634 -22.128 25.569 1.00 62.43 ATOM 323 CG LEU 21 9.840 -24.019 24.944 1.00 63.24 ATOM 324 HG LEU 21 9.799 -23.714 23.907 1.00 72.12 ATOM 325 CD1 LEU 21 11.142 -24.787 25.149 1.00 65.13 ATOM 326 HD11 LEU 21 11.980 -24.149 24.908 1.00 52.20 ATOM 327 HD12 LEU 21 11.157 -25.655 24.503 1.00 50.14 ATOM 328 HD13 LEU 21 11.217 -25.105 26.179 1.00 61.53 ATOM 329 CD2 LEU 21 8.636 -24.918 25.217 1.00 32.32 ATOM 330 HD21 LEU 21 7.725 -24.375 25.015 1.00 43.20 ATOM 331 HD22 LEU 21 8.645 -25.232 26.251 1.00 53.31 ATOM 332 HD23 LEU 21 8.682 -25.788 24.579 1.00 54.23 ATOM 333 C LEU 21 8.561 -20.757 26.735 1.00 3.32 ATOM 334 O LEU 21 8.037 -20.849 27.850 1.00 41.31 ATOM 335 N ILE 22 9.179 -19.652 26.325 1.00 72.30 ATOM 336 HN ILE 22 9.581 -19.637 25.430 1.00 39.96 ATOM 337 CA ILE 22 9.286 -18.463 27.178 1.00 23.13 ATOM 338 HA ILE 22 9.639 -18.788 28.148 1.00 30.40 ATOM 339 CB ILE 22 10.317 -17.454 26.605 1.00 10.15 ATOM 340 HB ILE 22 9.994 -17.175 25.611 1.00 51.24 ATOM 341 CG1 ILE 22 11.707 -18.108 26.515 1.00 4.24 ATOM 342 HG11 ILE 22 11.632 -19.015 25.931 1.00 39.96 ATOM 343 HG12 ILE 22 12.047 -18.356 27.510 1.00 1.13 ATOM 344 CG2 ILE 22 10.373 -16.185 27.457 1.00 54.20 ATOM 345 HG21 ILE 22 11.103 -15.504 27.043 1.00 63.43 ATOM 346 HG22 ILE 22 10.654 -16.440 28.469 1.00 4.32 ATOM 347 HG23 ILE 22 9.402 -15.710 27.463 1.00 34.34 ATOM 348 CD1 ILE 22 12.763 -17.229 25.874 1.00 12.20 ATOM 349 HD11 ILE 22 12.456 -16.965 24.874 1.00 54.53 ATOM 350 HD12 ILE 22 13.699 -17.767 25.831 1.00 21.34 ATOM 351 HD13 ILE 22 12.892 -16.332 26.461 1.00 32.35 ATOM 352 C ILE 22 7.923 -17.764 27.361 1.00 12.22 ATOM 353 O ILE 22 7.584 -17.335 28.465 1.00 73.44 ATOM 354 N THR 23 7.135 -17.664 26.285 1.00 21.43 ATOM 355 HN THR 23 7.448 -18.024 25.428 1.00 39.96 ATOM 356 CA THR 23 5.809 -17.015 26.358 1.00 24.20 ATOM 357 HA THR 23 5.953 -16.035 26.794 1.00 30.54 ATOM 358 CB THR 23 5.165 -16.823 24.956 1.00 55.01 ATOM 359 HB THR 23 5.855 -16.266 24.337 1.00 72.21 ATOM 360 OG1 THR 23 3.940 -16.081 25.065 1.00 31.22 ATOM 361 HG1 THR 23 3.698 -15.741 24.192 1.00 32.22 ATOM 362 CG2 THR 23 4.875 -18.157 24.279 1.00 54.22 ATOM 363 HG21 THR 23 4.414 -17.980 23.318 1.00 35.35 ATOM 364 HG22 THR 23 4.206 -18.737 24.897 1.00 34.25 ATOM 365 HG23 THR 23 5.798 -18.701 24.140 1.00 22.24 ATOM 366 C THR 23 4.843 -17.807 27.253 1.00 61.15 ATOM 367 O THR 23 3.935 -17.241 27.865 1.00 61.02 ATOM 368 N LEU 24 5.047 -19.124 27.330 1.00 12.01 ATOM 369 HN LEU 24 5.742 -19.531 26.769 1.00 39.96 ATOM 370 CA LEU 24 4.254 -19.984 28.220 1.00 22.32 ATOM 371 HA LEU 24 3.255 -19.576 28.266 1.00 2.30 ATOM 372 CB LEU 24 4.177 -21.409 27.647 1.00 63.01 ATOM 373 HB1 LEU 24 3.701 -22.046 28.380 1.00 39.96 ATOM 374 HB2 LEU 24 5.188 -21.765 27.491 1.00 13.22 ATOM 375 CG LEU 24 3.406 -21.542 26.319 1.00 74.30 ATOM 376 HG LEU 24 3.865 -20.902 25.579 1.00 50.42 ATOM 377 CD1 LEU 24 3.464 -22.973 25.793 1.00 35.15 ATOM 378 HD11 LEU 24 2.954 -23.028 24.842 1.00 33.23 ATOM 379 HD12 LEU 24 2.983 -23.640 26.496 1.00 61.25 ATOM 380 HD13 LEU 24 4.495 -23.269 25.665 1.00 60.34 ATOM 381 CD2 LEU 24 1.956 -21.093 26.493 1.00 33.12 ATOM 382 HD21 LEU 24 1.432 -21.194 25.553 1.00 20.43 ATOM 383 HD22 LEU 24 1.934 -20.059 26.806 1.00 54.25 ATOM 384 HD23 LEU 24 1.474 -21.706 27.242 1.00 21.24 ATOM 385 C LEU 24 4.837 -20.011 29.646 1.00 14.14 ATOM 386 O LEU 24 4.305 -20.681 30.532 1.00 2.33 ATOM 387 N GLY 25 5.934 -19.280 29.854 1.00 21.40 ATOM 388 HN GLY 25 6.335 -18.795 29.101 1.00 39.96 ATOM 389 CA GLY 25 6.542 -19.175 31.180 1.00 13.35 ATOM 390 HA1 GLY 25 5.782 -18.865 31.885 1.00 39.96 ATOM 391 HA2 GLY 25 7.307 -18.413 31.146 1.00 40.22 ATOM 392 C GLY 25 7.175 -20.472 31.682 1.00 14.02 ATOM 393 O GLY 25 7.441 -20.616 32.875 1.00 75.04 ATOM 394 N VAL 26 7.432 -21.415 30.775 1.00 70.12 ATOM 395 HN VAL 26 7.227 -21.238 29.832 1.00 39.96 ATOM 396 CA VAL 26 8.018 -22.709 31.153 1.00 61.52 ATOM 397 HA VAL 26 7.828 -22.863 32.208 1.00 23.41 ATOM 398 CB VAL 26 7.358 -23.876 30.377 1.00 44.23 ATOM 399 HB VAL 26 7.759 -24.807 30.757 1.00 13.12 ATOM 400 CG1 VAL 26 5.851 -23.881 30.620 1.00 24.13 ATOM 401 HG11 VAL 26 5.656 -24.007 31.675 1.00 70.13 ATOM 402 HG12 VAL 26 5.397 -24.694 30.073 1.00 45.35 ATOM 403 HG13 VAL 26 5.428 -22.944 30.286 1.00 4.12 ATOM 404 CG2 VAL 26 7.668 -23.798 28.883 1.00 75.01 ATOM 405 HG21 VAL 26 7.206 -24.631 28.374 1.00 22.24 ATOM 406 HG22 VAL 26 8.738 -23.835 28.732 1.00 25.33 ATOM 407 HG23 VAL 26 7.281 -22.873 28.479 1.00 14.52 ATOM 408 C VAL 26 9.537 -22.731 30.929 1.00 63.12 ATOM 409 O VAL 26 10.222 -23.672 31.327 1.00 55.34 ATOM 410 N LEU 27 10.052 -21.686 30.295 1.00 2.11 ATOM 411 HN LEU 27 9.448 -20.985 29.972 1.00 39.96 ATOM 412 CA LEU 27 11.491 -21.541 30.063 1.00 64.10 ATOM 413 HA LEU 27 12.010 -22.186 30.760 1.00 74.10 ATOM 414 CB LEU 27 11.842 -21.964 28.629 1.00 22.22 ATOM 415 HB1 LEU 27 11.309 -21.316 27.947 1.00 39.96 ATOM 416 HB2 LEU 27 11.490 -22.976 28.480 1.00 60.13 ATOM 417 CG LEU 27 13.338 -21.917 28.264 1.00 42.30 ATOM 418 HG LEU 27 13.713 -20.919 28.444 1.00 63.12 ATOM 419 CD1 LEU 27 14.142 -22.879 29.137 1.00 14.54 ATOM 420 HD11 LEU 27 13.770 -23.885 29.006 1.00 4.53 ATOM 421 HD12 LEU 27 14.045 -22.591 30.173 1.00 60.02 ATOM 422 HD13 LEU 27 15.184 -22.840 28.851 1.00 62.42 ATOM 423 CD2 LEU 27 13.541 -22.232 26.783 1.00 52.45 ATOM 424 HD21 LEU 27 14.596 -22.200 26.547 1.00 22.14 ATOM 425 HD22 LEU 27 13.017 -21.501 26.183 1.00 53.31 ATOM 426 HD23 LEU 27 13.155 -23.219 26.566 1.00 0.11 ATOM 427 C LEU 27 11.929 -20.091 30.309 1.00 34.54 ATOM 428 O LEU 27 11.241 -19.150 29.908 1.00 73.43 ATOM 429 N GLU 28 13.067 -19.913 30.976 1.00 14.51 ATOM 430 HN GLU 28 13.572 -20.697 31.275 1.00 39.96 ATOM 431 CA GLU 28 13.582 -18.573 31.274 1.00 32.21 ATOM 432 HA GLU 28 12.761 -17.990 31.670 1.00 73.21 ATOM 433 CB GLU 28 14.687 -18.648 32.338 1.00 34.44 ATOM 434 HB1 GLU 28 14.276 -19.092 33.234 1.00 39.96 ATOM 435 HB2 GLU 28 15.017 -17.644 32.567 1.00 11.51 ATOM 436 CG GLU 28 15.903 -19.468 31.914 1.00 0.51 ATOM 437 HG1 GLU 28 16.299 -19.054 30.995 1.00 39.96 ATOM 438 HG2 GLU 28 15.592 -20.489 31.739 1.00 71.14 ATOM 439 CD GLU 28 17.004 -19.465 32.964 1.00 63.51 ATOM 440 OE1 GLU 28 17.002 -20.351 33.843 1.00 44.20 ATOM 441 OE2 GLU 28 17.867 -18.560 32.925 1.00 44.14 ATOM 442 C GLU 28 14.114 -17.875 30.013 1.00 62.35 ATOM 443 O GLU 28 14.502 -18.523 29.039 1.00 4.11 ATOM 444 N SER 29 14.131 -16.544 30.043 1.00 51.43 ATOM 445 HN SER 29 13.807 -16.085 30.843 1.00 39.96 ATOM 446 CA SER 29 14.626 -15.744 28.916 1.00 22.23 ATOM 447 HA SER 29 14.346 -16.250 28.002 1.00 44.53 ATOM 448 CB SER 29 13.982 -14.349 28.931 1.00 5.22 ATOM 449 HB1 SER 29 12.909 -14.451 28.847 1.00 39.96 ATOM 450 HB2 SER 29 14.353 -13.773 28.097 1.00 64.42 ATOM 451 OG SER 29 14.281 -13.652 30.134 1.00 52.44 ATOM 452 HG SER 29 13.683 -12.896 30.224 1.00 61.42 ATOM 453 C SER 29 16.156 -15.609 28.959 1.00 3.11 ATOM 454 O SER 29 16.761 -15.639 30.035 1.00 5.43 ATOM 455 N PRO 30 16.810 -15.465 27.791 1.00 63.33 ATOM 456 CA PRO 30 18.273 -15.305 27.719 1.00 52.22 ATOM 457 HA PRO 30 18.781 -16.076 28.283 1.00 15.24 ATOM 458 CB PRO 30 18.569 -15.485 26.224 1.00 62.22 ATOM 459 HB1 PRO 30 18.789 -16.523 26.018 1.00 39.96 ATOM 460 HB2 PRO 30 19.414 -14.871 25.938 1.00 74.12 ATOM 461 CG PRO 30 17.317 -15.050 25.538 1.00 25.34 ATOM 462 HG1 PRO 30 17.226 -15.546 24.582 1.00 39.96 ATOM 463 HG2 PRO 30 17.324 -13.977 25.404 1.00 72.22 ATOM 464 CD PRO 30 16.187 -15.458 26.449 1.00 52.40 ATOM 465 HD1 PRO 30 15.824 -16.443 26.187 1.00 39.96 ATOM 466 HD2 PRO 30 15.384 -14.736 26.401 1.00 15.35 ATOM 467 C PRO 30 18.753 -13.924 28.201 1.00 74.10 ATOM 468 O PRO 30 18.094 -12.906 27.973 1.00 20.40 ATOM 469 N LYS 31 19.901 -13.894 28.874 1.00 72.34 ATOM 470 HN LYS 31 20.350 -14.743 29.092 1.00 39.96 ATOM 471 CA LYS 31 20.507 -12.630 29.309 1.00 33.32 ATOM 472 HA LYS 31 19.707 -11.975 29.626 1.00 3.14 ATOM 473 CB LYS 31 21.445 -12.874 30.499 1.00 31.53 ATOM 474 HB1 LYS 31 21.956 -11.952 30.737 1.00 39.96 ATOM 475 HB2 LYS 31 22.179 -13.616 30.215 1.00 71.41 ATOM 476 CG LYS 31 20.729 -13.363 31.757 1.00 71.30 ATOM 477 HG1 LYS 31 21.469 -13.602 32.509 1.00 39.96 ATOM 478 HG2 LYS 31 20.163 -14.252 31.514 1.00 42.13 ATOM 479 CD LYS 31 19.774 -12.306 32.317 1.00 31.44 ATOM 480 HD1 LYS 31 19.068 -12.029 31.545 1.00 39.96 ATOM 481 HD2 LYS 31 20.345 -11.436 32.610 1.00 41.01 ATOM 482 CE LYS 31 19.003 -12.820 33.528 1.00 52.42 ATOM 483 HE1 LYS 31 18.365 -13.633 33.215 1.00 39.96 ATOM 484 HE2 LYS 31 18.393 -12.018 33.918 1.00 61.54 ATOM 485 NZ LYS 31 19.906 -13.303 34.607 1.00 23.40 ATOM 486 HZ1 LYS 31 20.577 -12.555 34.876 1.00 62.54 ATOM 487 HZ2 LYS 31 20.440 -14.133 34.283 1.00 11.15 ATOM 488 HZ3 LYS 31 19.350 -13.570 35.445 1.00 22.24 ATOM 489 C LYS 31 21.265 -11.948 28.155 1.00 33.52 ATOM 490 O LYS 31 21.542 -10.748 28.202 1.00 4.01 ATOM 491 N LYS 32 21.597 -12.728 27.125 1.00 3.30 ATOM 492 HN LYS 32 21.384 -13.683 27.169 1.00 39.96 ATOM 493 CA LYS 32 22.259 -12.205 25.923 1.00 74.14 ATOM 494 HA LYS 32 21.778 -11.267 25.677 1.00 13.42 ATOM 495 CB LYS 32 23.752 -11.932 26.191 1.00 45.54 ATOM 496 HB1 LYS 32 23.831 -11.072 26.843 1.00 39.96 ATOM 497 HB2 LYS 32 24.235 -11.699 25.252 1.00 44.50 ATOM 498 CG LYS 32 24.509 -13.086 26.840 1.00 41.45 ATOM 499 HG1 LYS 32 24.396 -13.972 26.229 1.00 39.96 ATOM 500 HG2 LYS 32 24.096 -13.268 27.823 1.00 35.10 ATOM 501 CD LYS 32 25.997 -12.760 26.976 1.00 11.10 ATOM 502 HD1 LYS 32 26.100 -11.799 27.462 1.00 39.96 ATOM 503 HD2 LYS 32 26.436 -12.711 25.988 1.00 34.14 ATOM 504 CE LYS 32 26.747 -13.807 27.792 1.00 73.03 ATOM 505 HE1 LYS 32 27.809 -13.619 27.707 1.00 39.96 ATOM 506 HE2 LYS 32 26.525 -14.786 27.393 1.00 72.33 ATOM 507 NZ LYS 32 26.366 -13.776 29.229 1.00 62.22 ATOM 508 HZ1 LYS 32 26.884 -14.509 29.753 1.00 55.35 ATOM 509 HZ2 LYS 32 25.347 -13.948 29.341 1.00 24.04 ATOM 510 HZ3 LYS 32 26.593 -12.849 29.642 1.00 4.11 ATOM 511 C LYS 32 22.075 -13.156 24.723 1.00 34.20 ATOM 512 O LYS 32 21.277 -14.091 24.783 1.00 43.04 ATOM 513 N THR 33 22.815 -12.902 23.641 1.00 74.43 ATOM 514 HN THR 33 23.502 -12.207 23.695 1.00 39.96 ATOM 515 CA THR 33 22.642 -13.622 22.364 1.00 12.53 ATOM 516 HA THR 33 21.660 -13.380 21.982 1.00 20.34 ATOM 517 CB THR 33 23.687 -13.153 21.319 1.00 1.02 ATOM 518 HB THR 33 24.662 -13.510 21.621 1.00 22.23 ATOM 519 OG1 THR 33 23.723 -11.716 21.256 1.00 50.52 ATOM 520 HG1 THR 33 22.876 -11.387 20.930 1.00 74.12 ATOM 521 CG2 THR 33 23.370 -13.714 19.932 1.00 13.02 ATOM 522 HG21 THR 33 23.353 -14.794 19.975 1.00 60.05 ATOM 523 HG22 THR 33 24.127 -13.395 19.230 1.00 4.03 ATOM 524 HG23 THR 33 22.404 -13.352 19.607 1.00 55.44 ATOM 525 C THR 33 22.759 -15.155 22.499 1.00 2.41 ATOM 526 O THR 33 23.676 -15.668 23.143 1.00 44.10 ATOM 527 N ILE 34 21.824 -15.878 21.876 1.00 70.55 ATOM 528 HN ILE 34 21.059 -15.414 21.471 1.00 39.96 ATOM 529 CA ILE 34 21.894 -17.343 21.786 1.00 60.51 ATOM 530 HA ILE 34 22.619 -17.694 22.512 1.00 32.31 ATOM 531 CB ILE 34 20.526 -18.009 22.098 1.00 63.24 ATOM 532 HB ILE 34 19.806 -17.642 21.379 1.00 20.41 ATOM 533 CG1 ILE 34 20.049 -17.639 23.514 1.00 62.44 ATOM 534 HG11 ILE 34 19.952 -16.564 23.586 1.00 39.96 ATOM 535 HG12 ILE 34 20.779 -17.976 24.236 1.00 63.12 ATOM 536 CG2 ILE 34 20.614 -19.530 21.939 1.00 32.12 ATOM 537 HG21 ILE 34 21.336 -19.928 22.639 1.00 33.34 ATOM 538 HG22 ILE 34 20.923 -19.772 20.931 1.00 43.41 ATOM 539 HG23 ILE 34 19.645 -19.971 22.130 1.00 2.04 ATOM 540 CD1 ILE 34 18.712 -18.251 23.890 1.00 3.31 ATOM 541 HD11 ILE 34 18.438 -17.931 24.884 1.00 75.24 ATOM 542 HD12 ILE 34 18.788 -19.329 23.869 1.00 13.41 ATOM 543 HD13 ILE 34 17.957 -17.930 23.188 1.00 5.14 ATOM 544 C ILE 34 22.347 -17.779 20.381 1.00 74.03 ATOM 545 O ILE 34 21.628 -17.587 19.395 1.00 63.30 ATOM 546 N SER 35 23.539 -18.365 20.292 1.00 74.40 ATOM 547 HN SER 35 24.068 -18.498 21.109 1.00 39.96 ATOM 548 CA SER 35 24.080 -18.822 19.003 1.00 55.51 ATOM 549 HA SER 35 23.755 -18.125 18.243 1.00 34.20 ATOM 550 CB SER 35 25.612 -18.838 19.033 1.00 43.54 ATOM 551 HB1 SER 35 25.950 -19.533 19.789 1.00 39.96 ATOM 552 HB2 SER 35 25.977 -17.848 19.265 1.00 41.23 ATOM 553 OG SER 35 26.144 -19.236 17.777 1.00 11.13 ATOM 554 HG SER 35 26.732 -19.991 17.905 1.00 63.31 ATOM 555 C SER 35 23.558 -20.219 18.643 1.00 51.33 ATOM 556 O SER 35 23.367 -20.539 17.469 1.00 22.45 ATOM 557 N ASP 36 23.330 -21.051 19.658 1.00 45.41 ATOM 558 HN ASP 36 23.512 -20.745 20.571 1.00 39.96 ATOM 559 CA ASP 36 22.821 -22.415 19.451 1.00 2.52 ATOM 560 HA ASP 36 22.668 -22.545 18.388 1.00 53.34 ATOM 561 CB ASP 36 23.864 -23.447 19.919 1.00 72.04 ATOM 562 HB1 ASP 36 24.672 -23.482 19.200 1.00 39.96 ATOM 563 HB2 ASP 36 23.400 -24.423 19.970 1.00 55.32 ATOM 564 CG ASP 36 24.451 -23.120 21.285 1.00 34.45 ATOM 565 OD1 ASP 36 24.081 -23.775 22.280 1.00 60.21 ATOM 566 OD2 ASP 36 25.298 -22.203 21.366 1.00 11.34 ATOM 567 C ASP 36 21.464 -22.634 20.158 1.00 35.54 ATOM 568 O ASP 36 21.409 -23.030 21.323 1.00 44.44 ATOM 569 N PRO 37 20.339 -22.366 19.456 1.00 22.11 ATOM 570 CA PRO 37 18.990 -22.526 20.031 1.00 73.02 ATOM 571 HA PRO 37 18.865 -21.904 20.908 1.00 72.25 ATOM 572 CB PRO 37 18.058 -22.027 18.913 1.00 51.43 ATOM 573 HB1 PRO 37 17.778 -21.000 19.106 1.00 39.96 ATOM 574 HB2 PRO 37 17.169 -22.642 18.871 1.00 11.51 ATOM 575 CG PRO 37 18.862 -22.142 17.659 1.00 50.31 ATOM 576 HG1 PRO 37 18.535 -21.403 16.941 1.00 39.96 ATOM 577 HG2 PRO 37 18.761 -23.137 17.247 1.00 33.22 ATOM 578 CD PRO 37 20.291 -21.884 18.062 1.00 40.04 ATOM 579 HD1 PRO 37 20.516 -20.828 18.012 1.00 39.96 ATOM 580 HD2 PRO 37 20.969 -22.445 17.434 1.00 11.52 ATOM 581 C PRO 37 18.672 -23.983 20.405 1.00 44.21 ATOM 582 O PRO 37 18.130 -24.254 21.477 1.00 64.51 ATOM 583 N GLU 38 19.022 -24.919 19.519 1.00 53.24 ATOM 584 HN GLU 38 19.452 -24.646 18.684 1.00 39.96 ATOM 585 CA GLU 38 18.779 -26.346 19.763 1.00 23.04 ATOM 586 HA GLU 38 17.721 -26.470 19.950 1.00 2.31 ATOM 587 CB GLU 38 19.163 -27.177 18.526 1.00 40.54 ATOM 588 HB1 GLU 38 18.941 -28.217 18.722 1.00 39.96 ATOM 589 HB2 GLU 38 20.226 -27.073 18.356 1.00 41.30 ATOM 590 CG GLU 38 18.432 -26.764 17.246 1.00 55.14 ATOM 591 HG1 GLU 38 18.742 -25.763 16.980 1.00 39.96 ATOM 592 HG2 GLU 38 17.369 -26.765 17.441 1.00 71.42 ATOM 593 CD GLU 38 18.707 -27.685 16.061 1.00 74.23 ATOM 594 OE1 GLU 38 17.823 -27.808 15.179 1.00 62.45 ATOM 595 OE2 GLU 38 19.802 -28.288 16.001 1.00 5.13 ATOM 596 C GLU 38 19.556 -26.844 20.995 1.00 21.53 ATOM 597 O GLU 38 19.028 -27.600 21.810 1.00 32.43 ATOM 598 N GLY 39 20.812 -26.411 21.122 1.00 32.01 ATOM 599 HN GLY 39 21.197 -25.849 20.420 1.00 39.96 ATOM 600 CA GLY 39 21.617 -26.766 22.288 1.00 51.33 ATOM 601 HA1 GLY 39 22.620 -26.391 22.145 1.00 39.96 ATOM 602 HA2 GLY 39 21.657 -27.843 22.371 1.00 10.13 ATOM 603 C GLY 39 21.058 -26.190 23.589 1.00 41.24 ATOM 604 O GLY 39 20.940 -26.896 24.595 1.00 22.41 ATOM 605 N PHE 40 20.711 -24.902 23.561 1.00 62.42 ATOM 606 HN PHE 40 20.895 -24.380 22.747 1.00 39.96 ATOM 607 CA PHE 40 20.077 -24.229 24.706 1.00 62.34 ATOM 608 HA PHE 40 20.794 -24.209 25.516 1.00 12.20 ATOM 609 CB PHE 40 19.720 -22.782 24.321 1.00 34.44 ATOM 610 HB1 PHE 40 19.108 -22.800 23.429 1.00 39.96 ATOM 611 HB2 PHE 40 20.632 -22.242 24.108 1.00 63.43 ATOM 612 CG PHE 40 18.972 -22.019 25.390 1.00 73.21 ATOM 613 CD1 PHE 40 19.626 -21.562 26.528 1.00 63.33 ATOM 614 HD1 PHE 40 20.681 -21.764 26.650 1.00 13.44 ATOM 615 CD2 PHE 40 17.615 -21.749 25.252 1.00 75.11 ATOM 616 HD2 PHE 40 17.091 -22.098 24.373 1.00 5.31 ATOM 617 CE1 PHE 40 18.943 -20.858 27.503 1.00 30.31 ATOM 618 HE1 PHE 40 19.463 -20.508 28.383 1.00 70.21 ATOM 619 CE2 PHE 40 16.930 -21.047 26.224 1.00 51.40 ATOM 620 HE2 PHE 40 15.875 -20.845 26.104 1.00 71.31 ATOM 621 CZ PHE 40 17.594 -20.599 27.350 1.00 3.41 ATOM 622 HZ PHE 40 17.059 -20.047 28.111 1.00 43.23 ATOM 623 C PHE 40 18.819 -24.985 25.177 1.00 44.40 ATOM 624 O PHE 40 18.598 -25.169 26.378 1.00 40.43 ATOM 625 N LEU 41 18.000 -25.419 24.221 1.00 21.40 ATOM 626 HN LEU 41 18.207 -25.205 23.286 1.00 39.96 ATOM 627 CA LEU 41 16.796 -26.199 24.526 1.00 72.00 ATOM 628 HA LEU 41 16.222 -25.644 25.255 1.00 41.12 ATOM 629 CB LEU 41 15.941 -26.384 23.264 1.00 71.33 ATOM 630 HB1 LEU 41 15.113 -27.035 23.507 1.00 39.96 ATOM 631 HB2 LEU 41 16.549 -26.872 22.513 1.00 62.55 ATOM 632 CG LEU 41 15.372 -25.090 22.656 1.00 13.43 ATOM 633 HG LEU 41 16.191 -24.432 22.399 1.00 75.32 ATOM 634 CD1 LEU 41 14.600 -25.392 21.374 1.00 14.51 ATOM 635 HD11 LEU 41 14.222 -24.471 20.954 1.00 51.35 ATOM 636 HD12 LEU 41 13.773 -26.052 21.593 1.00 41.22 ATOM 637 HD13 LEU 41 15.258 -25.867 20.660 1.00 33.13 ATOM 638 CD2 LEU 41 14.485 -24.365 23.667 1.00 63.24 ATOM 639 HD21 LEU 41 15.064 -24.122 24.546 1.00 32.22 ATOM 640 HD22 LEU 41 13.659 -25.001 23.946 1.00 71.02 ATOM 641 HD23 LEU 41 14.105 -23.456 23.226 1.00 51.25 ATOM 642 C LEU 41 17.151 -27.571 25.124 1.00 71.02 ATOM 643 O LEU 41 16.670 -27.927 26.198 1.00 14.51 ATOM 644 N GLN 42 18.012 -28.321 24.431 1.00 62.15 ATOM 645 HN GLN 42 18.400 -27.952 23.607 1.00 39.96 ATOM 646 CA GLN 42 18.406 -29.679 24.851 1.00 13.41 ATOM 647 HA GLN 42 17.546 -30.322 24.724 1.00 74.54 ATOM 648 CB GLN 42 19.545 -30.189 23.941 1.00 65.11 ATOM 649 HB1 GLN 42 20.432 -29.604 24.143 1.00 39.96 ATOM 650 HB2 GLN 42 19.255 -30.023 22.913 1.00 22.15 ATOM 651 CG GLN 42 19.905 -31.676 24.091 1.00 10.43 ATOM 652 HG1 GLN 42 20.420 -31.996 23.196 1.00 39.96 ATOM 653 HG2 GLN 42 18.991 -32.242 24.192 1.00 11.52 ATOM 654 CD GLN 42 20.793 -31.982 25.292 1.00 4.22 ATOM 655 OE1 GLN 42 22.014 -31.891 25.215 1.00 70.22 ATOM 656 NE2 GLN 42 20.196 -32.379 26.398 1.00 15.45 ATOM 657 HE21 GLN 42 19.221 -32.457 26.397 1.00 30.43 ATOM 658 HE22 GLN 42 20.758 -32.586 27.171 1.00 45.32 ATOM 659 C GLN 42 18.833 -29.714 26.329 1.00 62.14 ATOM 660 O GLN 42 18.299 -30.497 27.120 1.00 62.01 ATOM 661 N ALA 43 19.784 -28.856 26.696 1.00 2.50 ATOM 662 HN ALA 43 20.155 -28.240 26.025 1.00 39.96 ATOM 663 CA ALA 43 20.297 -28.805 28.071 1.00 24.05 ATOM 664 HA ALA 43 20.722 -29.774 28.300 1.00 52.51 ATOM 665 CB ALA 43 21.413 -27.770 28.171 1.00 4.24 ATOM 666 HB1 ALA 43 22.178 -27.990 27.439 1.00 34.21 ATOM 667 HB2 ALA 43 21.846 -27.799 29.161 1.00 74.54 ATOM 668 HB3 ALA 43 21.011 -26.785 27.985 1.00 40.42 ATOM 669 C ALA 43 19.189 -28.496 29.097 1.00 23.43 ATOM 670 O ALA 43 19.195 -29.024 30.212 1.00 30.11 ATOM 671 N SER 44 18.238 -27.648 28.708 1.00 15.12 ATOM 672 HN SER 44 18.275 -27.283 27.797 1.00 39.96 ATOM 673 CA SER 44 17.141 -27.236 29.598 1.00 52.03 ATOM 674 HA SER 44 17.553 -27.091 30.587 1.00 11.24 ATOM 675 CB SER 44 16.546 -25.905 29.114 1.00 33.33 ATOM 676 HB1 SER 44 15.766 -25.592 29.792 1.00 39.96 ATOM 677 HB2 SER 44 16.129 -26.038 28.126 1.00 24.04 ATOM 678 OG SER 44 17.537 -24.888 29.055 1.00 31.24 ATOM 679 HG SER 44 17.761 -24.710 28.131 1.00 71.51 ATOM 680 C SER 44 16.033 -28.302 29.678 1.00 65.11 ATOM 681 O SER 44 15.420 -28.499 30.727 1.00 72.22 ATOM 682 N LEU 45 15.788 -28.992 28.567 1.00 12.45 ATOM 683 HN LEU 45 16.326 -28.810 27.768 1.00 39.96 ATOM 684 CA LEU 45 14.736 -30.019 28.499 1.00 72.41 ATOM 685 HA LEU 45 13.906 -29.685 29.105 1.00 44.21 ATOM 686 CB LEU 45 14.259 -30.187 27.046 1.00 50.14 ATOM 687 HB1 LEU 45 13.472 -30.928 27.034 1.00 39.96 ATOM 688 HB2 LEU 45 15.088 -30.563 26.461 1.00 64.45 ATOM 689 CG LEU 45 13.729 -28.913 26.364 1.00 41.22 ATOM 690 HG LEU 45 14.509 -28.164 26.369 1.00 14.34 ATOM 691 CD1 LEU 45 13.365 -29.191 24.907 1.00 71.13 ATOM 692 HD11 LEU 45 14.232 -29.567 24.383 1.00 11.14 ATOM 693 HD12 LEU 45 13.034 -28.276 24.437 1.00 51.43 ATOM 694 HD13 LEU 45 12.571 -29.924 24.863 1.00 41.30 ATOM 695 CD2 LEU 45 12.531 -28.347 27.122 1.00 61.34 ATOM 696 HD21 LEU 45 12.831 -28.089 28.127 1.00 61.51 ATOM 697 HD22 LEU 45 11.743 -29.086 27.161 1.00 11.34 ATOM 698 HD23 LEU 45 12.170 -27.463 26.618 1.00 53.35 ATOM 699 C LEU 45 15.230 -31.375 29.039 1.00 43.53 ATOM 700 O LEU 45 14.435 -32.279 29.289 1.00 30.42 ATOM 701 N LYS 46 16.546 -31.490 29.219 1.00 75.30 ATOM 702 HN LYS 46 17.110 -30.710 29.031 1.00 39.96 ATOM 703 CA LYS 46 17.200 -32.735 29.666 1.00 63.34 ATOM 704 HA LYS 46 17.176 -33.433 28.841 1.00 24.11 ATOM 705 CB LYS 46 18.667 -32.428 30.005 1.00 5.42 ATOM 706 HB1 LYS 46 18.690 -31.697 30.801 1.00 39.96 ATOM 707 HB2 LYS 46 19.143 -32.003 29.131 1.00 32.52 ATOM 708 CG LYS 46 19.486 -33.637 30.450 1.00 53.20 ATOM 709 HG1 LYS 46 19.533 -34.350 29.637 1.00 39.96 ATOM 710 HG2 LYS 46 19.004 -34.093 31.304 1.00 34.13 ATOM 711 CD LYS 46 20.904 -33.227 30.838 1.00 70.13 ATOM 712 HD1 LYS 46 20.848 -32.489 31.627 1.00 39.96 ATOM 713 HD2 LYS 46 21.389 -32.793 29.976 1.00 20.11 ATOM 714 CE LYS 46 21.741 -34.405 31.324 1.00 43.42 ATOM 715 HE1 LYS 46 21.838 -35.123 30.523 1.00 39.96 ATOM 716 HE2 LYS 46 21.244 -34.868 32.165 1.00 73.13 ATOM 717 NZ LYS 46 23.099 -33.967 31.747 1.00 44.03 ATOM 718 HZ1 LYS 46 23.625 -33.591 30.930 1.00 12.45 ATOM 719 HZ2 LYS 46 23.628 -34.766 32.148 1.00 34.11 ATOM 720 HZ3 LYS 46 23.025 -33.220 32.467 1.00 54.04 ATOM 721 C LYS 46 16.509 -33.386 30.884 1.00 12.51 ATOM 722 O LYS 46 16.281 -34.595 30.909 1.00 41.32 ATOM 723 N ASP 47 16.186 -32.579 31.891 1.00 13.11 ATOM 724 HN ASP 47 16.361 -31.620 31.804 1.00 39.96 ATOM 725 CA ASP 47 15.588 -33.086 33.133 1.00 73.13 ATOM 726 HA ASP 47 16.066 -34.028 33.366 1.00 22.43 ATOM 727 CB ASP 47 15.869 -32.106 34.275 1.00 51.32 ATOM 728 HB1 ASP 47 15.424 -32.482 35.186 1.00 39.96 ATOM 729 HB2 ASP 47 15.431 -31.146 34.037 1.00 74.10 ATOM 730 CG ASP 47 17.360 -31.917 34.506 1.00 44.31 ATOM 731 OD1 ASP 47 17.918 -32.583 35.405 1.00 42.01 ATOM 732 OD2 ASP 47 17.984 -31.110 33.782 1.00 51.53 ATOM 733 C ASP 47 14.071 -33.333 33.001 1.00 31.21 ATOM 734 O ASP 47 13.438 -33.836 33.929 1.00 12.03 ATOM 735 N GLY 48 13.493 -32.961 31.858 1.00 71.24 ATOM 736 HN GLY 48 14.042 -32.538 31.165 1.00 39.96 ATOM 737 CA GLY 48 12.069 -33.199 31.611 1.00 64.30 ATOM 738 HA1 GLY 48 11.832 -34.211 31.912 1.00 39.96 ATOM 739 HA2 GLY 48 11.888 -33.109 30.551 1.00 21.23 ATOM 740 C GLY 48 11.129 -32.238 32.347 1.00 55.55 ATOM 741 O GLY 48 9.938 -32.168 32.030 1.00 40.23 ATOM 742 N VAL 49 11.661 -31.493 33.315 1.00 5.44 ATOM 743 HN VAL 49 12.622 -31.560 33.488 1.00 39.96 ATOM 744 CA VAL 49 10.854 -30.576 34.131 1.00 32.02 ATOM 745 HA VAL 49 10.083 -31.160 34.620 1.00 3.45 ATOM 746 CB VAL 49 11.715 -29.903 35.231 1.00 60.42 ATOM 747 HB VAL 49 12.459 -29.285 34.746 1.00 63.34 ATOM 748 CG1 VAL 49 10.860 -29.002 36.122 1.00 73.43 ATOM 749 HG11 VAL 49 10.090 -29.591 36.602 1.00 3.44 ATOM 750 HG12 VAL 49 10.399 -28.231 35.521 1.00 73.24 ATOM 751 HG13 VAL 49 11.483 -28.543 36.876 1.00 61.33 ATOM 752 CG2 VAL 49 12.442 -30.957 36.065 1.00 72.21 ATOM 753 HG21 VAL 49 11.719 -31.597 36.551 1.00 44.14 ATOM 754 HG22 VAL 49 13.051 -30.469 36.813 1.00 34.51 ATOM 755 HG23 VAL 49 13.074 -31.554 35.422 1.00 60.01 ATOM 756 C VAL 49 10.183 -29.488 33.271 1.00 32.21 ATOM 757 O VAL 49 8.986 -29.221 33.409 1.00 64.32 ATOM 758 N VAL 50 10.960 -28.869 32.378 1.00 70.13 ATOM 759 HN VAL 50 11.915 -29.097 32.340 1.00 39.96 ATOM 760 CA VAL 50 10.428 -27.852 31.459 1.00 3.52 ATOM 761 HA VAL 50 10.033 -27.039 32.055 1.00 32.32 ATOM 762 CB VAL 50 11.537 -27.282 30.535 1.00 72.12 ATOM 763 HB VAL 50 11.927 -28.095 29.936 1.00 22.01 ATOM 764 CG1 VAL 50 10.971 -26.226 29.582 1.00 51.33 ATOM 765 HG11 VAL 50 11.764 -25.844 28.951 1.00 3.50 ATOM 766 HG12 VAL 50 10.546 -25.414 30.153 1.00 54.33 ATOM 767 HG13 VAL 50 10.203 -26.671 28.965 1.00 4.20 ATOM 768 CG2 VAL 50 12.689 -26.706 31.360 1.00 73.15 ATOM 769 HG21 VAL 50 12.321 -25.910 31.990 1.00 51.52 ATOM 770 HG22 VAL 50 13.451 -26.318 30.699 1.00 23.54 ATOM 771 HG23 VAL 50 13.115 -27.486 31.977 1.00 52.41 ATOM 772 C VAL 50 9.294 -28.426 30.593 1.00 22.04 ATOM 773 O VAL 50 8.263 -27.784 30.389 1.00 10.21 ATOM 774 N LEU 51 9.493 -29.650 30.101 1.00 2.51 ATOM 775 HN LEU 51 10.337 -30.105 30.296 1.00 39.96 ATOM 776 CA LEU 51 8.484 -30.337 29.286 1.00 34.34 ATOM 777 HA LEU 51 8.278 -29.717 28.425 1.00 34.23 ATOM 778 CB LEU 51 9.023 -31.692 28.808 1.00 51.33 ATOM 779 HB1 LEU 51 8.222 -32.215 28.304 1.00 39.96 ATOM 780 HB2 LEU 51 9.309 -32.267 29.678 1.00 31.22 ATOM 781 CG LEU 51 10.227 -31.628 27.853 1.00 22.34 ATOM 782 HG LEU 51 11.037 -31.101 28.340 1.00 74.21 ATOM 783 CD1 LEU 51 10.722 -33.033 27.518 1.00 23.35 ATOM 784 HD11 LEU 51 11.591 -32.966 26.880 1.00 24.20 ATOM 785 HD12 LEU 51 9.944 -33.581 27.006 1.00 4.04 ATOM 786 HD13 LEU 51 10.984 -33.550 28.429 1.00 54.44 ATOM 787 CD2 LEU 51 9.865 -30.865 26.579 1.00 33.52 ATOM 788 HD21 LEU 51 10.721 -30.836 25.921 1.00 60.44 ATOM 789 HD22 LEU 51 9.576 -29.855 26.832 1.00 5.43 ATOM 790 HD23 LEU 51 9.045 -31.360 26.080 1.00 13.33 ATOM 791 C LEU 51 7.176 -30.548 30.067 1.00 75.33 ATOM 792 O LEU 51 6.084 -30.310 29.549 1.00 52.00 ATOM 793 N CYS 52 7.296 -31.000 31.313 1.00 40.23 ATOM 794 HN CYS 52 8.192 -31.184 31.668 1.00 39.96 ATOM 795 CA CYS 52 6.125 -31.233 32.168 1.00 64.14 ATOM 796 HA CYS 52 5.505 -31.971 31.678 1.00 62.21 ATOM 797 CB CYS 52 6.559 -31.780 33.531 1.00 74.24 ATOM 798 HB1 CYS 52 5.687 -31.912 34.156 1.00 39.96 ATOM 799 HB2 CYS 52 7.228 -31.073 34.000 1.00 53.45 ATOM 800 SG CYS 52 7.417 -33.370 33.447 1.00 62.51 ATOM 801 HG CYS 52 8.329 -33.298 32.484 1.00 53.41 ATOM 802 C CYS 52 5.304 -29.949 32.357 1.00 21.40 ATOM 803 O CYS 52 4.085 -29.945 32.181 1.00 32.44 ATOM 804 N ARG 53 5.983 -28.856 32.704 1.00 32.34 ATOM 805 HN ARG 53 6.951 -28.927 32.858 1.00 39.96 ATOM 806 CA ARG 53 5.327 -27.552 32.855 1.00 24.34 ATOM 807 HA ARG 53 4.542 -27.663 33.591 1.00 40.43 ATOM 808 CB ARG 53 6.335 -26.510 33.359 1.00 23.35 ATOM 809 HB1 ARG 53 5.860 -25.538 33.370 1.00 39.96 ATOM 810 HB2 ARG 53 7.177 -26.480 32.680 1.00 21.11 ATOM 811 CG ARG 53 6.859 -26.801 34.762 1.00 11.23 ATOM 812 HG1 ARG 53 7.296 -27.791 34.773 1.00 39.96 ATOM 813 HG2 ARG 53 6.033 -26.765 35.456 1.00 21.42 ATOM 814 CD ARG 53 7.914 -25.790 35.201 1.00 4.01 ATOM 815 HD1 ARG 53 7.507 -24.794 35.098 1.00 39.96 ATOM 816 HD2 ARG 53 8.780 -25.891 34.561 1.00 14.15 ATOM 817 NE ARG 53 8.322 -25.993 36.591 1.00 61.41 ATOM 818 HE ARG 53 7.636 -26.295 37.222 1.00 24.21 ATOM 819 CZ ARG 53 9.528 -25.786 37.046 1.00 24.34 ATOM 820 NH1 ARG 53 10.479 -25.400 36.254 1.00 75.11 ATOM 821 HH11 ARG 53 10.293 -25.264 35.284 1.00 42.15 ATOM 822 HH12 ARG 53 11.393 -25.235 36.616 1.00 0.31 ATOM 823 NH2 ARG 53 9.778 -25.972 38.298 1.00 12.44 ATOM 824 HH21 ARG 53 9.050 -26.274 38.908 1.00 71.44 ATOM 825 HH22 ARG 53 10.698 -25.816 38.652 1.00 72.14 ATOM 826 C ARG 53 4.695 -27.097 31.529 1.00 50.34 ATOM 827 O ARG 53 3.595 -26.539 31.505 1.00 22.23 ATOM 828 N LEU 54 5.402 -27.350 30.429 1.00 50.22 ATOM 829 HN LEU 54 6.298 -27.740 30.524 1.00 39.96 ATOM 830 CA LEU 54 4.895 -27.063 29.083 1.00 22.31 ATOM 831 HA LEU 54 4.774 -25.994 28.996 1.00 39.96 ATOM 832 CB LEU 54 5.916 -27.540 28.037 1.00 40.33 ATOM 833 HB1 LEU 54 6.111 -28.589 28.212 1.00 39.96 ATOM 834 HB2 LEU 54 6.836 -26.994 28.194 1.00 72.40 ATOM 835 CG LEU 54 5.501 -27.370 26.566 1.00 41.42 ATOM 836 HG LEU 54 4.578 -27.908 26.397 1.00 23.35 ATOM 837 CD1 LEU 54 5.251 -25.903 26.236 1.00 74.15 ATOM 838 HD11 LEU 54 6.153 -25.332 26.406 1.00 74.44 ATOM 839 HD12 LEU 54 4.460 -25.521 26.865 1.00 31.24 ATOM 840 HD13 LEU 54 4.959 -25.812 25.200 1.00 54.52 ATOM 841 CD2 LEU 54 6.564 -27.962 25.638 1.00 13.42 ATOM 842 HD21 LEU 54 6.258 -27.832 24.610 1.00 54.21 ATOM 843 HD22 LEU 54 6.678 -29.015 25.846 1.00 2.21 ATOM 844 HD23 LEU 54 7.509 -27.460 25.798 1.00 61.22 ATOM 845 C LEU 54 3.531 -27.736 28.848 1.00 1.52 ATOM 846 O LEU 54 2.558 -27.083 28.455 1.00 21.13 ATOM 847 N LEU 55 3.461 -29.037 29.115 1.00 45.41 ATOM 848 HN LEU 55 4.269 -29.505 29.421 1.00 39.96 ATOM 849 CA LEU 55 2.215 -29.791 28.960 1.00 54.22 ATOM 850 HA LEU 55 1.862 -29.632 27.950 1.00 34.32 ATOM 851 CB LEU 55 2.479 -31.292 29.158 1.00 33.30 ATOM 852 HB1 LEU 55 2.782 -31.448 30.184 1.00 39.96 ATOM 853 HB2 LEU 55 3.299 -31.579 28.514 1.00 10.15 ATOM 854 CG LEU 55 1.287 -32.221 28.863 1.00 41.32 ATOM 855 HG LEU 55 0.477 -31.981 29.538 1.00 65.34 ATOM 856 CD1 LEU 55 0.778 -32.022 27.435 1.00 11.31 ATOM 857 HD11 LEU 55 0.442 -31.002 27.309 1.00 1.53 ATOM 858 HD12 LEU 55 -0.046 -32.695 27.248 1.00 50.55 ATOM 859 HD13 LEU 55 1.575 -32.228 26.733 1.00 42.23 ATOM 860 CD2 LEU 55 1.676 -33.679 29.096 1.00 61.15 ATOM 861 HD21 LEU 55 1.942 -33.819 30.133 1.00 11.33 ATOM 862 HD22 LEU 55 2.522 -33.933 28.472 1.00 53.11 ATOM 863 HD23 LEU 55 0.843 -34.320 28.850 1.00 74.32 ATOM 864 C LEU 55 1.133 -29.298 29.940 1.00 22.33 ATOM 865 O LEU 55 -0.053 -29.328 29.628 1.00 43.42 ATOM 866 N GLU 56 1.551 -28.832 31.119 1.00 22.20 ATOM 867 HN GLU 56 2.506 -28.882 31.336 1.00 39.96 ATOM 868 CA GLU 56 0.619 -28.269 32.111 1.00 62.44 ATOM 869 HA GLU 56 -0.210 -28.957 32.202 1.00 61.24 ATOM 870 CB GLU 56 1.306 -28.151 33.480 1.00 4.22 ATOM 871 HB1 GLU 56 0.715 -27.504 34.115 1.00 39.96 ATOM 872 HB2 GLU 56 2.283 -27.708 33.343 1.00 34.33 ATOM 873 CG GLU 56 1.483 -29.487 34.193 1.00 22.24 ATOM 874 HG1 GLU 56 2.072 -29.331 35.086 1.00 39.96 ATOM 875 HG2 GLU 56 2.009 -30.166 33.535 1.00 43.32 ATOM 876 CD GLU 56 0.154 -30.120 34.587 1.00 44.55 ATOM 877 OE1 GLU 56 -0.395 -30.920 33.802 1.00 62.14 ATOM 878 OE2 GLU 56 -0.354 -29.800 35.684 1.00 13.11 ATOM 879 C GLU 56 0.060 -26.901 31.677 1.00 62.25 ATOM 880 O GLU 56 -0.966 -26.451 32.190 1.00 30.14 ATOM 881 N ARG 57 0.746 -26.231 30.754 1.00 31.51 ATOM 882 HN ARG 57 1.623 -26.576 30.469 1.00 39.96 ATOM 883 CA ARG 57 0.237 -24.981 30.168 1.00 42.21 ATOM 884 HA ARG 57 -0.221 -24.406 30.961 1.00 2.03 ATOM 885 CB ARG 57 1.386 -24.162 29.561 1.00 64.05 ATOM 886 HB1 ARG 57 0.971 -23.312 29.037 1.00 39.96 ATOM 887 HB2 ARG 57 1.919 -24.781 28.854 1.00 54.11 ATOM 888 CG ARG 57 2.383 -23.646 30.589 1.00 23.13 ATOM 889 HG1 ARG 57 3.193 -23.148 30.071 1.00 39.96 ATOM 890 HG2 ARG 57 2.775 -24.483 31.148 1.00 52.33 ATOM 891 CD ARG 57 1.738 -22.662 31.558 1.00 44.04 ATOM 892 HD1 ARG 57 0.865 -23.125 31.996 1.00 39.96 ATOM 893 HD2 ARG 57 1.438 -21.780 31.009 1.00 72.12 ATOM 894 NE ARG 57 2.651 -22.268 32.626 1.00 32.44 ATOM 895 HE ARG 57 3.497 -22.750 32.697 1.00 74.34 ATOM 896 CZ ARG 57 2.397 -21.332 33.500 1.00 51.04 ATOM 897 NH1 ARG 57 1.308 -20.640 33.428 1.00 12.35 ATOM 898 HH11 ARG 57 0.650 -20.818 32.699 1.00 40.31 ATOM 899 HH12 ARG 57 1.129 -19.925 34.099 1.00 43.50 ATOM 900 NH2 ARG 57 3.240 -21.095 34.448 1.00 61.12 ATOM 901 HH21 ARG 57 4.081 -21.625 34.507 1.00 13.44 ATOM 902 HH22 ARG 57 3.040 -20.391 35.127 1.00 73.14 ATOM 903 C ARG 57 -0.819 -25.258 29.089 1.00 31.30 ATOM 904 O ARG 57 -1.865 -24.613 29.045 1.00 22.32 ATOM 905 N LEU 58 -0.527 -26.221 28.221 1.00 0.22 ATOM 906 HN LEU 58 0.313 -26.718 28.331 1.00 39.96 ATOM 907 CA LEU 58 -1.415 -26.564 27.104 1.00 44.12 ATOM 908 HA LEU 58 -1.805 -25.642 26.694 1.00 34.13 ATOM 909 CB LEU 58 -0.602 -27.286 26.021 1.00 41.41 ATOM 910 HB1 LEU 58 -1.241 -27.446 25.164 1.00 39.96 ATOM 911 HB2 LEU 58 -0.301 -28.251 26.410 1.00 50.14 ATOM 912 CG LEU 58 0.658 -26.533 25.553 1.00 40.52 ATOM 913 HG LEU 58 1.284 -26.328 26.412 1.00 73.51 ATOM 914 CD1 LEU 58 1.470 -27.383 24.585 1.00 74.11 ATOM 915 HD11 LEU 58 2.362 -26.847 24.296 1.00 14.40 ATOM 916 HD12 LEU 58 0.880 -27.599 23.706 1.00 3.33 ATOM 917 HD13 LEU 58 1.750 -28.309 25.066 1.00 52.15 ATOM 918 CD2 LEU 58 0.288 -25.194 24.914 1.00 42.21 ATOM 919 HD21 LEU 58 1.189 -24.680 24.608 1.00 23.34 ATOM 920 HD22 LEU 58 -0.244 -24.587 25.631 1.00 51.34 ATOM 921 HD23 LEU 58 -0.339 -25.365 24.050 1.00 34.42 ATOM 922 C LEU 58 -2.596 -27.441 27.565 1.00 15.22 ATOM 923 O LEU 58 -3.749 -27.211 27.188 1.00 45.14 ATOM 924 N LEU 59 -2.291 -28.450 28.375 1.00 62.53 ATOM 925 HN LEU 59 -1.351 -28.605 28.594 1.00 39.96 ATOM 926 CA LEU 59 -3.306 -29.342 28.954 1.00 35.42 ATOM 927 HA LEU 59 -4.284 -28.951 28.706 1.00 73.51 ATOM 928 CB LEU 59 -3.169 -30.760 28.366 1.00 64.32 ATOM 929 HB1 LEU 59 -3.860 -31.410 28.884 1.00 39.96 ATOM 930 HB2 LEU 59 -2.164 -31.108 28.562 1.00 13.32 ATOM 931 CG LEU 59 -3.433 -30.886 26.854 1.00 1.32 ATOM 932 HG LEU 59 -2.811 -30.177 26.326 1.00 24.24 ATOM 933 CD1 LEU 59 -3.071 -32.286 26.356 1.00 44.22 ATOM 934 HD11 LEU 59 -3.677 -33.021 26.867 1.00 32.13 ATOM 935 HD12 LEU 59 -2.027 -32.481 26.556 1.00 22.10 ATOM 936 HD13 LEU 59 -3.250 -32.349 25.292 1.00 41.42 ATOM 937 CD2 LEU 59 -4.892 -30.565 26.531 1.00 35.34 ATOM 938 HD21 LEU 59 -5.540 -31.266 27.041 1.00 60.23 ATOM 939 HD22 LEU 59 -5.050 -30.642 25.465 1.00 53.25 ATOM 940 HD23 LEU 59 -5.122 -29.561 26.855 1.00 64.15 ATOM 941 C LEU 59 -3.170 -29.390 30.489 1.00 3.33 ATOM 942 O LEU 59 -2.582 -30.323 31.040 1.00 11.43 ATOM 943 N PRO 60 -3.694 -28.372 31.199 1.00 34.35 ATOM 944 CA PRO 60 -3.587 -28.289 32.669 1.00 73.51 ATOM 945 HA PRO 60 -2.559 -28.149 32.975 1.00 13.22 ATOM 946 CB PRO 60 -4.397 -27.028 33.014 1.00 43.11 ATOM 947 HB1 PRO 60 -3.918 -26.500 33.826 1.00 39.96 ATOM 948 HB2 PRO 60 -5.401 -27.307 33.303 1.00 62.02 ATOM 949 CG PRO 60 -4.396 -26.217 31.761 1.00 64.20 ATOM 950 HG1 PRO 60 -3.502 -25.610 31.714 1.00 39.96 ATOM 951 HG2 PRO 60 -5.277 -25.590 31.725 1.00 50.31 ATOM 952 CD PRO 60 -4.412 -27.212 30.633 1.00 72.12 ATOM 953 HD1 PRO 60 -3.892 -26.816 29.771 1.00 39.96 ATOM 954 HD2 PRO 60 -5.429 -27.474 30.373 1.00 15.32 ATOM 955 C PRO 60 -4.168 -29.517 33.397 1.00 4.31 ATOM 956 O PRO 60 -5.349 -29.849 33.237 1.00 44.23 ATOM 957 N GLY 61 -3.337 -30.190 34.195 1.00 31.21 ATOM 958 HN GLY 61 -2.397 -29.910 34.255 1.00 39.96 ATOM 959 CA GLY 61 -3.800 -31.335 34.978 1.00 35.44 ATOM 960 HA1 GLY 61 -4.861 -31.229 35.159 1.00 39.96 ATOM 961 HA2 GLY 61 -3.288 -31.329 35.927 1.00 0.24 ATOM 962 C GLY 61 -3.549 -32.679 34.301 1.00 23.45 ATOM 963 O GLY 61 -4.265 -33.652 34.551 1.00 21.25 ATOM 964 N THR 62 -2.539 -32.734 33.440 1.00 11.41 ATOM 965 HN THR 62 -2.025 -31.916 33.261 1.00 39.96 ATOM 966 CA THR 62 -2.171 -33.980 32.753 1.00 43.00 ATOM 967 HA THR 62 -3.019 -34.652 32.799 1.00 12.30 ATOM 968 CB THR 62 -1.833 -33.731 31.263 1.00 72.33 ATOM 969 HB THR 62 -0.941 -33.122 31.204 1.00 44.15 ATOM 970 OG1 THR 62 -2.916 -33.035 30.626 1.00 44.52 ATOM 971 HG1 THR 62 -2.684 -32.102 30.537 1.00 42.21 ATOM 972 CG2 THR 62 -1.579 -35.044 30.525 1.00 3.34 ATOM 973 HG21 THR 62 -1.343 -34.836 29.491 1.00 30.43 ATOM 974 HG22 THR 62 -2.464 -35.663 30.573 1.00 2.34 ATOM 975 HG23 THR 62 -0.751 -35.564 30.986 1.00 5.45 ATOM 976 C THR 62 -0.972 -34.649 33.433 1.00 13.34 ATOM 977 O THR 62 -0.932 -35.870 33.585 1.00 35.13 ATOM 978 N ILE 63 0.003 -33.843 33.840 1.00 21.14 ATOM 979 HN ILE 63 -0.072 -32.879 33.665 1.00 39.96 ATOM 980 CA ILE 63 1.178 -34.348 34.555 1.00 30.05 ATOM 981 HA ILE 63 1.571 -35.193 34.003 1.00 43.15 ATOM 982 CB ILE 63 2.284 -33.263 34.647 1.00 12.12 ATOM 983 HB ILE 63 1.877 -32.422 35.192 1.00 13.34 ATOM 984 CG1 ILE 63 2.697 -32.788 33.242 1.00 45.13 ATOM 985 HG11 ILE 63 3.428 -31.997 33.340 1.00 39.96 ATOM 986 HG12 ILE 63 1.828 -32.400 32.732 1.00 72.25 ATOM 987 CG2 ILE 63 3.497 -33.777 35.425 1.00 61.23 ATOM 988 HG21 ILE 63 3.196 -34.050 36.427 1.00 15.11 ATOM 989 HG22 ILE 63 4.249 -33.002 35.476 1.00 72.11 ATOM 990 HG23 ILE 63 3.908 -34.642 34.925 1.00 53.30 ATOM 991 CD1 ILE 63 3.298 -33.871 32.369 1.00 0.31 ATOM 992 HD11 ILE 63 3.561 -33.453 31.408 1.00 3.25 ATOM 993 HD12 ILE 63 2.578 -34.665 32.231 1.00 52.31 ATOM 994 HD13 ILE 63 4.185 -34.267 32.843 1.00 71.34 ATOM 995 C ILE 63 0.793 -34.804 35.971 1.00 14.33 ATOM 996 O ILE 63 0.584 -33.978 36.862 1.00 20.40 ATOM 997 N GLU 64 0.703 -36.116 36.176 1.00 45.41 ATOM 998 HN GLU 64 0.947 -36.731 35.453 1.00 39.96 ATOM 999 CA GLU 64 0.250 -36.663 37.461 1.00 44.31 ATOM 1000 HA GLU 64 -0.663 -36.146 37.722 1.00 33.30 ATOM 1001 CB GLU 64 -0.062 -38.162 37.318 1.00 71.12 ATOM 1002 HB1 GLU 64 0.856 -38.688 37.093 1.00 39.96 ATOM 1003 HB2 GLU 64 -0.749 -38.293 36.494 1.00 4.11 ATOM 1004 CG GLU 64 -0.684 -38.791 38.565 1.00 20.13 ATOM 1005 HG1 GLU 64 -1.377 -38.084 39.004 1.00 39.96 ATOM 1006 HG2 GLU 64 0.103 -39.003 39.276 1.00 54.34 ATOM 1007 CD GLU 64 -1.432 -40.084 38.264 1.00 2.44 ATOM 1008 OE1 GLU 64 -0.800 -41.161 38.243 1.00 21.20 ATOM 1009 OE2 GLU 64 -2.662 -40.028 38.052 1.00 70.14 ATOM 1010 C GLU 64 1.279 -36.408 38.576 1.00 32.52 ATOM 1011 O GLU 64 0.915 -36.133 39.722 1.00 53.41 ATOM 1012 N LYS 65 2.564 -36.494 38.232 1.00 51.40 ATOM 1013 HN LYS 65 2.795 -36.825 37.337 1.00 39.96 ATOM 1014 CA LYS 65 3.638 -36.110 39.158 1.00 74.42 ATOM 1015 HA LYS 65 3.338 -35.181 39.626 1.00 30.01 ATOM 1016 CB LYS 65 3.842 -37.164 40.259 1.00 35.51 ATOM 1017 HB1 LYS 65 4.177 -38.087 39.806 1.00 39.96 ATOM 1018 HB2 LYS 65 2.898 -37.338 40.758 1.00 32.13 ATOM 1019 CG LYS 65 4.871 -36.737 41.307 1.00 64.05 ATOM 1020 HG1 LYS 65 4.551 -35.802 41.746 1.00 39.96 ATOM 1021 HG2 LYS 65 5.826 -36.595 40.821 1.00 14.44 ATOM 1022 CD LYS 65 5.036 -37.772 42.415 1.00 32.32 ATOM 1023 HD1 LYS 65 5.435 -38.681 41.989 1.00 39.96 ATOM 1024 HD2 LYS 65 4.069 -37.973 42.854 1.00 53.22 ATOM 1025 CE LYS 65 5.981 -37.280 43.509 1.00 41.53 ATOM 1026 HE1 LYS 65 5.595 -36.354 43.912 1.00 39.96 ATOM 1027 HE2 LYS 65 6.955 -37.102 43.075 1.00 70.31 ATOM 1028 NZ LYS 65 6.122 -38.265 44.614 1.00 75.21 ATOM 1029 HZ1 LYS 65 6.590 -39.127 44.272 1.00 75.44 ATOM 1030 HZ2 LYS 65 5.185 -38.522 44.985 1.00 44.34 ATOM 1031 HZ3 LYS 65 6.690 -37.859 45.387 1.00 33.32 ATOM 1032 C LYS 65 4.964 -35.869 38.424 1.00 71.20 ATOM 1033 O LYS 65 5.427 -36.712 37.654 1.00 24.30 ATOM 1034 N VAL 66 5.569 -34.713 38.676 1.00 42.53 ATOM 1035 HN VAL 66 5.125 -34.067 39.265 1.00 39.96 ATOM 1036 CA VAL 66 6.879 -34.370 38.111 1.00 74.33 ATOM 1037 HA VAL 66 7.192 -35.178 37.463 1.00 31.14 ATOM 1038 CB VAL 66 6.808 -33.065 37.274 1.00 22.15 ATOM 1039 HB VAL 66 6.063 -33.204 36.502 1.00 72.43 ATOM 1040 CG1 VAL 66 6.375 -31.882 38.140 1.00 74.11 ATOM 1041 HG11 VAL 66 7.087 -31.742 38.942 1.00 53.11 ATOM 1042 HG12 VAL 66 5.398 -32.079 38.559 1.00 64.35 ATOM 1043 HG13 VAL 66 6.332 -30.987 37.537 1.00 31.15 ATOM 1044 CG2 VAL 66 8.147 -32.775 36.594 1.00 41.03 ATOM 1045 HG21 VAL 66 8.412 -33.601 35.949 1.00 73.03 ATOM 1046 HG22 VAL 66 8.916 -32.645 37.343 1.00 61.02 ATOM 1047 HG23 VAL 66 8.065 -31.873 36.005 1.00 15.14 ATOM 1048 C VAL 66 7.918 -34.193 39.227 1.00 62.03 ATOM 1049 O VAL 66 7.579 -33.799 40.344 1.00 72.31 ATOM 1050 N TYR 67 9.176 -34.495 38.933 1.00 35.15 ATOM 1051 HN TYR 67 9.382 -34.866 38.049 1.00 39.96 ATOM 1052 CA TYR 67 10.261 -34.299 39.894 1.00 4.01 ATOM 1053 HA TYR 67 9.824 -34.224 40.881 1.00 12.41 ATOM 1054 CB TYR 67 11.212 -35.503 39.865 1.00 53.05 ATOM 1055 HB1 TYR 67 11.930 -35.409 40.668 1.00 39.96 ATOM 1056 HB2 TYR 67 11.737 -35.519 38.920 1.00 63.32 ATOM 1057 CG TYR 67 10.497 -36.834 40.029 1.00 60.13 ATOM 1058 CD1 TYR 67 10.563 -37.811 39.041 1.00 53.50 ATOM 1059 HD1 TYR 67 11.141 -37.616 38.148 1.00 71.12 ATOM 1060 CD2 TYR 67 9.747 -37.107 41.168 1.00 32.11 ATOM 1061 HD2 TYR 67 9.683 -36.360 41.946 1.00 51.35 ATOM 1062 CE1 TYR 67 9.906 -39.016 39.185 1.00 15.00 ATOM 1063 HE1 TYR 67 9.971 -39.762 38.405 1.00 25.45 ATOM 1064 CE2 TYR 67 9.089 -38.312 41.319 1.00 53.31 ATOM 1065 HE2 TYR 67 8.513 -38.504 42.212 1.00 63.23 ATOM 1066 CZ TYR 67 9.171 -39.263 40.325 1.00 61.22 ATOM 1067 OH TYR 67 8.516 -40.464 40.471 1.00 5.23 ATOM 1068 HH TYR 67 9.074 -41.173 40.127 1.00 14.51 ATOM 1069 C TYR 67 11.028 -32.998 39.589 1.00 65.34 ATOM 1070 O TYR 67 11.841 -32.956 38.664 1.00 1.01 ATOM 1071 N PRO 68 10.774 -31.917 40.364 1.00 4.13 ATOM 1072 CA PRO 68 11.402 -30.604 40.128 1.00 22.42 ATOM 1073 HA PRO 68 11.200 -30.248 39.125 1.00 0.51 ATOM 1074 CB PRO 68 10.736 -29.669 41.157 1.00 74.14 ATOM 1075 HB1 PRO 68 10.381 -28.779 40.655 1.00 39.96 ATOM 1076 HB2 PRO 68 11.457 -29.388 41.913 1.00 14.14 ATOM 1077 CG PRO 68 9.601 -30.442 41.754 1.00 11.32 ATOM 1078 HG1 PRO 68 8.675 -30.165 41.268 1.00 39.96 ATOM 1079 HG2 PRO 68 9.543 -30.235 42.811 1.00 53.03 ATOM 1080 CD PRO 68 9.887 -31.902 41.537 1.00 2.22 ATOM 1081 HD1 PRO 68 8.971 -32.438 41.333 1.00 39.96 ATOM 1082 HD2 PRO 68 10.385 -32.324 42.400 1.00 51.12 ATOM 1083 C PRO 68 12.916 -30.648 40.351 1.00 13.34 ATOM 1084 O PRO 68 13.692 -30.044 39.607 1.00 62.41 ATOM 1085 N GLU 69 13.318 -31.362 41.399 1.00 74.24 ATOM 1086 HN GLU 69 12.639 -31.736 41.998 1.00 39.96 ATOM 1087 CA GLU 69 14.734 -31.602 41.686 1.00 12.35 ATOM 1088 HA GLU 69 15.322 -31.002 41.006 1.00 22.35 ATOM 1089 CB GLU 69 15.075 -31.197 43.126 1.00 52.43 ATOM 1090 HB1 GLU 69 16.105 -31.462 43.325 1.00 39.96 ATOM 1091 HB2 GLU 69 14.439 -31.751 43.803 1.00 13.51 ATOM 1092 CG GLU 69 14.903 -29.715 43.428 1.00 13.15 ATOM 1093 HG1 GLU 69 13.858 -29.453 43.328 1.00 39.96 ATOM 1094 HG2 GLU 69 15.486 -29.143 42.718 1.00 4.04 ATOM 1095 CD GLU 69 15.366 -29.365 44.834 1.00 14.14 ATOM 1096 OE1 GLU 69 16.597 -29.317 45.060 1.00 42.14 ATOM 1097 OE2 GLU 69 14.511 -29.152 45.720 1.00 43.12 ATOM 1098 C GLU 69 15.098 -33.081 41.476 1.00 75.50 ATOM 1099 O GLU 69 15.066 -33.874 42.417 1.00 12.42 ATOM 1100 N PRO 70 15.418 -33.485 40.236 1.00 32.41 ATOM 1101 CA PRO 70 15.829 -34.867 39.941 1.00 44.44 ATOM 1102 HA PRO 70 15.154 -35.582 40.393 1.00 14.44 ATOM 1103 CB PRO 70 15.704 -34.943 38.414 1.00 32.30 ATOM 1104 HB1 PRO 70 14.711 -35.279 38.147 1.00 39.96 ATOM 1105 HB2 PRO 70 16.439 -35.631 38.018 1.00 21.41 ATOM 1106 CG PRO 70 15.949 -33.545 37.949 1.00 63.10 ATOM 1107 HG1 PRO 70 15.443 -33.373 37.008 1.00 39.96 ATOM 1108 HG2 PRO 70 17.013 -33.376 37.836 1.00 55.42 ATOM 1109 CD PRO 70 15.387 -32.644 39.021 1.00 71.41 ATOM 1110 HD1 PRO 70 14.373 -32.357 38.778 1.00 39.96 ATOM 1111 HD2 PRO 70 16.004 -31.767 39.145 1.00 3.45 ATOM 1112 C PRO 70 17.270 -35.173 40.393 1.00 75.14 ATOM 1113 O PRO 70 18.236 -34.669 39.817 1.00 70.23 ATOM 1114 N ARG 71 17.410 -35.997 41.431 1.00 25.24 ATOM 1115 HN ARG 71 16.606 -36.348 41.873 1.00 39.96 ATOM 1116 CA ARG 71 18.733 -36.412 41.914 1.00 72.51 ATOM 1117 HA ARG 71 19.393 -35.555 41.863 1.00 54.55 ATOM 1118 CB ARG 71 18.672 -36.914 43.370 1.00 11.21 ATOM 1119 HB1 ARG 71 19.608 -37.407 43.602 1.00 39.96 ATOM 1120 HB2 ARG 71 17.876 -37.640 43.449 1.00 61.45 ATOM 1121 CG ARG 71 18.432 -35.838 44.433 1.00 15.10 ATOM 1122 HG1 ARG 71 19.179 -35.062 44.316 1.00 39.96 ATOM 1123 HG2 ARG 71 18.537 -36.287 45.410 1.00 14.41 ATOM 1124 CD ARG 71 17.048 -35.210 44.331 1.00 21.11 ATOM 1125 HD1 ARG 71 16.333 -35.982 44.081 1.00 39.96 ATOM 1126 HD2 ARG 71 17.060 -34.468 43.546 1.00 63.41 ATOM 1127 NE ARG 71 16.640 -34.578 45.585 1.00 42.41 ATOM 1128 HE ARG 71 16.273 -35.159 46.279 1.00 34.23 ATOM 1129 CZ ARG 71 16.702 -33.298 45.831 1.00 61.13 ATOM 1130 NH1 ARG 71 17.225 -32.477 44.978 1.00 75.21 ATOM 1131 HH11 ARG 71 17.587 -32.818 44.111 1.00 55.33 ATOM 1132 HH12 ARG 71 17.260 -31.503 45.184 1.00 23.43 ATOM 1133 NH2 ARG 71 16.264 -32.844 46.956 1.00 5.22 ATOM 1134 HH21 ARG 71 15.872 -33.469 47.628 1.00 11.01 ATOM 1135 HH22 ARG 71 16.323 -31.868 47.156 1.00 32.12 ATOM 1136 C ARG 71 19.301 -37.532 41.033 1.00 43.42 ATOM 1137 O ARG 71 20.508 -37.606 40.800 1.00 43.41 ATOM 1138 N SER 72 18.416 -38.405 40.559 1.00 61.40 ATOM 1139 HN SER 72 17.463 -38.249 40.735 1.00 39.96 ATOM 1140 CA SER 72 18.811 -39.591 39.785 1.00 62.05 ATOM 1141 HA SER 72 19.886 -39.695 39.855 1.00 55.35 ATOM 1142 CB SER 72 18.156 -40.846 40.382 1.00 61.22 ATOM 1143 HB1 SER 72 17.090 -40.686 40.467 1.00 39.96 ATOM 1144 HB2 SER 72 18.569 -41.034 41.362 1.00 23.25 ATOM 1145 OG SER 72 18.379 -41.990 39.568 1.00 13.04 ATOM 1146 HG SER 72 19.164 -42.461 39.883 1.00 54.43 ATOM 1147 C SER 72 18.422 -39.483 38.304 1.00 62.21 ATOM 1148 O SER 72 17.448 -38.810 37.948 1.00 52.20 ATOM 1149 N GLU 73 19.190 -40.162 37.448 1.00 74.13 ATOM 1150 HN GLU 73 20.015 -40.576 37.782 1.00 39.96 ATOM 1151 CA GLU 73 18.857 -40.299 36.024 1.00 43.00 ATOM 1152 HA GLU 73 18.947 -39.325 35.563 1.00 2.32 ATOM 1153 CB GLU 73 19.842 -41.268 35.350 1.00 63.41 ATOM 1154 HB1 GLU 73 19.898 -42.172 35.941 1.00 39.96 ATOM 1155 HB2 GLU 73 20.819 -40.806 35.327 1.00 73.44 ATOM 1156 CG GLU 73 19.461 -41.652 33.921 1.00 23.51 ATOM 1157 HG1 GLU 73 19.487 -40.763 33.305 1.00 39.96 ATOM 1158 HG2 GLU 73 18.458 -42.053 33.924 1.00 54.31 ATOM 1159 CD GLU 73 20.393 -42.693 33.319 1.00 73.33 ATOM 1160 OE1 GLU 73 20.562 -43.772 33.930 1.00 44.34 ATOM 1161 OE2 GLU 73 20.953 -42.449 32.233 1.00 22.42 ATOM 1162 C GLU 73 17.420 -40.811 35.840 1.00 23.34 ATOM 1163 O GLU 73 16.682 -40.335 34.974 1.00 63.44 ATOM 1164 N SER 74 17.030 -41.772 36.681 1.00 32.31 ATOM 1165 HN SER 74 17.666 -42.094 37.359 1.00 39.96 ATOM 1166 CA SER 74 15.683 -42.361 36.628 1.00 52.42 ATOM 1167 HA SER 74 15.586 -42.873 35.680 1.00 63.31 ATOM 1168 CB SER 74 15.496 -43.380 37.761 1.00 45.04 ATOM 1169 HB1 SER 74 15.649 -42.891 38.713 1.00 39.96 ATOM 1170 HB2 SER 74 16.216 -44.178 37.649 1.00 3.23 ATOM 1171 OG SER 74 14.190 -43.942 37.742 1.00 62.00 ATOM 1172 HG SER 74 14.110 -44.584 38.458 1.00 62.23 ATOM 1173 C SER 74 14.590 -41.285 36.721 1.00 52.24 ATOM 1174 O SER 74 13.581 -41.347 36.012 1.00 34.15 ATOM 1175 N GLU 75 14.805 -40.294 37.587 1.00 14.11 ATOM 1176 HN GLU 75 15.633 -40.294 38.111 1.00 39.96 ATOM 1177 CA GLU 75 13.846 -39.198 37.773 1.00 2.35 ATOM 1178 HA GLU 75 12.877 -39.638 37.972 1.00 2.04 ATOM 1179 CB GLU 75 14.251 -38.333 38.974 1.00 35.33 ATOM 1180 HB1 GLU 75 13.565 -37.500 39.052 1.00 39.96 ATOM 1181 HB2 GLU 75 15.248 -37.951 38.806 1.00 54.42 ATOM 1182 CG GLU 75 14.243 -39.084 40.300 1.00 3.41 ATOM 1183 HG1 GLU 75 14.924 -39.921 40.229 1.00 39.96 ATOM 1184 HG2 GLU 75 13.243 -39.453 40.486 1.00 24.00 ATOM 1185 CD GLU 75 14.663 -38.208 41.468 1.00 4.30 ATOM 1186 OE1 GLU 75 13.815 -37.464 41.997 1.00 62.43 ATOM 1187 OE2 GLU 75 15.847 -38.254 41.855 1.00 60.42 ATOM 1188 C GLU 75 13.738 -38.329 36.511 1.00 12.30 ATOM 1189 O GLU 75 12.639 -38.063 36.025 1.00 61.22 ATOM 1190 N CYS 76 14.885 -37.899 35.982 1.00 53.53 ATOM 1191 HN CYS 76 15.728 -38.122 36.431 1.00 39.96 ATOM 1192 CA CYS 76 14.921 -37.098 34.748 1.00 14.23 ATOM 1193 HA CYS 76 14.434 -36.154 34.951 1.00 14.44 ATOM 1194 CB CYS 76 16.372 -36.832 34.326 1.00 53.54 ATOM 1195 HB1 CYS 76 16.376 -36.206 33.444 1.00 39.96 ATOM 1196 HB2 CYS 76 16.849 -37.772 34.093 1.00 64.33 ATOM 1197 SG CYS 76 17.377 -36.009 35.588 1.00 64.14 ATOM 1198 HG CYS 76 17.324 -34.701 35.366 1.00 44.10 ATOM 1199 C CYS 76 14.170 -37.810 33.611 1.00 24.01 ATOM 1200 O CYS 76 13.294 -37.232 32.966 1.00 42.35 ATOM 1201 N LEU 77 14.510 -39.081 33.391 1.00 14.54 ATOM 1202 HN LEU 77 15.240 -39.474 33.914 1.00 39.96 ATOM 1203 CA LEU 77 13.830 -39.905 32.385 1.00 44.30 ATOM 1204 HA LEU 77 13.964 -39.431 31.423 1.00 25.11 ATOM 1205 CB LEU 77 14.449 -41.310 32.338 1.00 10.54 ATOM 1206 HB1 LEU 77 13.897 -41.899 31.618 1.00 39.96 ATOM 1207 HB2 LEU 77 14.332 -41.764 33.313 1.00 14.32 ATOM 1208 CG LEU 77 15.939 -41.362 31.958 1.00 64.13 ATOM 1209 HG LEU 77 16.504 -40.782 32.674 1.00 43.22 ATOM 1210 CD1 LEU 77 16.460 -42.795 32.008 1.00 62.21 ATOM 1211 HD11 LEU 77 17.501 -42.811 31.718 1.00 13.42 ATOM 1212 HD12 LEU 77 15.889 -43.414 31.331 1.00 72.02 ATOM 1213 HD13 LEU 77 16.363 -43.177 33.013 1.00 72.31 ATOM 1214 CD2 LEU 77 16.168 -40.752 30.576 1.00 11.42 ATOM 1215 HD21 LEU 77 15.839 -39.722 30.578 1.00 51.32 ATOM 1216 HD22 LEU 77 15.609 -41.307 29.836 1.00 11.23 ATOM 1217 HD23 LEU 77 17.221 -40.790 30.335 1.00 44.43 ATOM 1218 C LEU 77 12.326 -40.011 32.678 1.00 75.43 ATOM 1219 O LEU 77 11.501 -39.963 31.766 1.00 52.53 ATOM 1220 N SER 78 11.978 -40.148 33.959 1.00 31.43 ATOM 1221 HN SER 78 12.683 -40.174 34.641 1.00 39.96 ATOM 1222 CA SER 78 10.571 -40.258 34.381 1.00 34.11 ATOM 1223 HA SER 78 10.139 -41.101 33.862 1.00 35.55 ATOM 1224 CB SER 78 10.475 -40.508 35.893 1.00 5.34 ATOM 1225 HB1 SER 78 10.904 -39.669 36.423 1.00 39.96 ATOM 1226 HB2 SER 78 11.023 -41.405 36.143 1.00 2.04 ATOM 1227 OG SER 78 9.126 -40.671 36.313 1.00 15.11 ATOM 1228 HG SER 78 8.599 -39.921 36.012 1.00 3.33 ATOM 1229 C SER 78 9.772 -38.998 34.018 1.00 2.00 ATOM 1230 O SER 78 8.631 -39.089 33.567 1.00 62.54 ATOM 1231 N ASN 79 10.377 -37.827 34.220 1.00 61.42 ATOM 1232 HN ASN 79 11.276 -37.817 34.616 1.00 39.96 ATOM 1233 CA ASN 79 9.737 -36.551 33.873 1.00 1.52 ATOM 1234 HA ASN 79 8.797 -36.497 34.404 1.00 4.24 ATOM 1235 CB ASN 79 10.620 -35.375 34.305 1.00 1.50 ATOM 1236 HB1 ASN 79 10.148 -34.448 34.009 1.00 39.96 ATOM 1237 HB2 ASN 79 11.580 -35.456 33.813 1.00 74.34 ATOM 1238 CG ASN 79 10.852 -35.336 35.803 1.00 2.11 ATOM 1239 OD1 ASN 79 10.031 -35.797 36.585 1.00 64.15 ATOM 1240 ND2 ASN 79 11.970 -34.778 36.215 1.00 63.20 ATOM 1241 HD21 ASN 79 12.585 -34.424 35.540 1.00 42.20 ATOM 1242 HD22 ASN 79 12.135 -34.732 37.178 1.00 3.11 ATOM 1243 C ASN 79 9.457 -36.465 32.365 1.00 42.42 ATOM 1244 O ASN 79 8.360 -36.093 31.942 1.00 53.54 ATOM 1245 N ILE 80 10.457 -36.815 31.557 1.00 11.34 ATOM 1246 HN ILE 80 11.325 -37.057 31.948 1.00 39.96 ATOM 1247 CA ILE 80 10.295 -36.844 30.099 1.00 3.10 ATOM 1248 HA ILE 80 9.995 -35.855 29.779 1.00 4.11 ATOM 1249 CB ILE 80 11.623 -37.208 29.384 1.00 41.23 ATOM 1250 HB ILE 80 11.899 -38.213 29.676 1.00 22.24 ATOM 1251 CG1 ILE 80 12.747 -36.242 29.802 1.00 63.14 ATOM 1252 HG11 ILE 80 12.866 -36.282 30.876 1.00 39.96 ATOM 1253 HG12 ILE 80 12.478 -35.237 29.514 1.00 22.23 ATOM 1254 CG2 ILE 80 11.438 -37.191 27.865 1.00 51.21 ATOM 1255 HG21 ILE 80 11.163 -36.196 27.544 1.00 14.54 ATOM 1256 HG22 ILE 80 10.660 -37.886 27.588 1.00 45.40 ATOM 1257 HG23 ILE 80 12.362 -37.479 27.386 1.00 33.51 ATOM 1258 CD1 ILE 80 14.093 -36.556 29.175 1.00 41.54 ATOM 1259 HD11 ILE 80 14.000 -36.550 28.099 1.00 53.32 ATOM 1260 HD12 ILE 80 14.425 -37.530 29.502 1.00 1.11 ATOM 1261 HD13 ILE 80 14.815 -35.810 29.476 1.00 41.13 ATOM 1262 C ILE 80 9.206 -37.850 29.692 1.00 72.22 ATOM 1263 O ILE 80 8.344 -37.552 28.865 1.00 75.34 ATOM 1264 N ARG 81 9.246 -39.037 30.297 1.00 41.42 ATOM 1265 HN ARG 81 9.965 -39.214 30.941 1.00 39.96 ATOM 1266 CA ARG 81 8.253 -40.086 30.032 1.00 62.44 ATOM 1267 HA ARG 81 8.297 -40.311 28.975 1.00 62.51 ATOM 1268 CB ARG 81 8.597 -41.356 30.820 1.00 53.31 ATOM 1269 HB1 ARG 81 7.753 -42.031 30.782 1.00 39.96 ATOM 1270 HB2 ARG 81 8.780 -41.085 31.851 1.00 3.54 ATOM 1271 CG ARG 81 9.824 -42.099 30.295 1.00 62.22 ATOM 1272 HG1 ARG 81 10.651 -41.404 30.228 1.00 39.96 ATOM 1273 HG2 ARG 81 9.603 -42.489 29.312 1.00 32.34 ATOM 1274 CD ARG 81 10.222 -43.256 31.210 1.00 40.54 ATOM 1275 HD1 ARG 81 10.586 -42.850 32.144 1.00 39.96 ATOM 1276 HD2 ARG 81 11.011 -43.820 30.734 1.00 54.32 ATOM 1277 NE ARG 81 9.100 -44.153 31.488 1.00 42.11 ATOM 1278 HE ARG 81 8.201 -43.837 31.261 1.00 43.21 ATOM 1279 CZ ARG 81 9.210 -45.332 32.039 1.00 72.23 ATOM 1280 NH1 ARG 81 10.373 -45.831 32.330 1.00 22.30 ATOM 1281 HH11 ARG 81 11.200 -45.315 32.136 1.00 20.05 ATOM 1282 HH12 ARG 81 10.435 -46.737 32.744 1.00 13.01 ATOM 1283 NH2 ARG 81 8.146 -46.023 32.275 1.00 52.00 ATOM 1284 HH21 ARG 81 7.251 -45.652 32.032 1.00 54.41 ATOM 1285 HH22 ARG 81 8.219 -46.923 32.702 1.00 12.32 ATOM 1286 C ARG 81 6.824 -39.624 30.371 1.00 51.04 ATOM 1287 O ARG 81 5.890 -39.894 29.619 1.00 45.23 ATOM 1288 N GLU 82 6.659 -38.935 31.501 1.00 24.10 ATOM 1289 HN GLU 82 7.430 -38.795 32.092 1.00 39.96 ATOM 1290 CA GLU 82 5.352 -38.380 31.889 1.00 11.00 ATOM 1291 HA GLU 82 4.663 -39.206 31.999 1.00 4.52 ATOM 1292 CB GLU 82 5.470 -37.641 33.235 1.00 44.01 ATOM 1293 HB1 GLU 82 6.224 -36.871 33.142 1.00 39.96 ATOM 1294 HB2 GLU 82 5.788 -38.346 33.991 1.00 71.41 ATOM 1295 CG GLU 82 4.172 -36.984 33.713 1.00 75.02 ATOM 1296 HG1 GLU 82 3.771 -36.388 32.905 1.00 39.96 ATOM 1297 HG2 GLU 82 4.402 -36.334 34.546 1.00 43.25 ATOM 1298 CD GLU 82 3.107 -37.980 34.156 1.00 42.23 ATOM 1299 OE1 GLU 82 2.826 -38.061 35.371 1.00 74.15 ATOM 1300 OE2 GLU 82 2.539 -38.680 33.292 1.00 44.02 ATOM 1301 C GLU 82 4.817 -37.431 30.800 1.00 43.55 ATOM 1302 O GLU 82 3.655 -37.514 30.394 1.00 43.20 ATOM 1303 N PHE 83 5.683 -36.536 30.327 1.00 75.33 ATOM 1304 HN PHE 83 6.570 -36.471 30.743 1.00 39.96 ATOM 1305 CA PHE 83 5.350 -35.637 29.213 1.00 11.21 ATOM 1306 HA PHE 83 4.527 -35.012 29.530 1.00 11.32 ATOM 1307 CB PHE 83 6.560 -34.743 28.892 1.00 22.31 ATOM 1308 HB1 PHE 83 7.436 -35.367 28.773 1.00 39.96 ATOM 1309 HB2 PHE 83 6.724 -34.066 29.719 1.00 21.52 ATOM 1310 CG PHE 83 6.404 -33.911 27.641 1.00 65.14 ATOM 1311 CD1 PHE 83 7.094 -34.242 26.480 1.00 61.15 ATOM 1312 HD1 PHE 83 7.747 -35.104 26.479 1.00 50.31 ATOM 1313 CD2 PHE 83 5.571 -32.800 27.624 1.00 64.13 ATOM 1314 HD2 PHE 83 5.028 -32.530 28.518 1.00 33.35 ATOM 1315 CE1 PHE 83 6.955 -33.484 25.332 1.00 33.41 ATOM 1316 HE1 PHE 83 7.499 -33.754 24.436 1.00 41.40 ATOM 1317 CE2 PHE 83 5.430 -32.039 26.477 1.00 42.12 ATOM 1318 HE2 PHE 83 4.779 -31.176 26.478 1.00 2.41 ATOM 1319 CZ PHE 83 6.124 -32.381 25.330 1.00 44.44 ATOM 1320 HZ PHE 83 6.014 -31.788 24.433 1.00 65.13 ATOM 1321 C PHE 83 4.921 -36.428 27.961 1.00 1.03 ATOM 1322 O PHE 83 3.873 -36.158 27.364 1.00 63.31 ATOM 1323 N LEU 84 5.737 -37.407 27.576 1.00 43.11 ATOM 1324 HN LEU 84 6.563 -37.564 28.086 1.00 39.96 ATOM 1325 CA LEU 84 5.444 -38.260 26.418 1.00 5.24 ATOM 1326 HA LEU 84 5.359 -37.622 25.549 1.00 21.52 ATOM 1327 CB LEU 84 6.595 -39.253 26.197 1.00 64.14 ATOM 1328 HB1 LEU 84 6.343 -39.883 25.355 1.00 39.96 ATOM 1329 HB2 LEU 84 6.677 -39.876 27.078 1.00 51.25 ATOM 1330 CG LEU 84 7.969 -38.613 25.925 1.00 43.24 ATOM 1331 HG LEU 84 8.214 -37.949 26.743 1.00 21.13 ATOM 1332 CD1 LEU 84 9.061 -39.679 25.854 1.00 14.40 ATOM 1333 HD11 LEU 84 8.838 -40.374 25.057 1.00 43.21 ATOM 1334 HD12 LEU 84 9.109 -40.211 26.792 1.00 2.11 ATOM 1335 HD13 LEU 84 10.013 -39.207 25.661 1.00 43.23 ATOM 1336 CD2 LEU 84 7.933 -37.784 24.644 1.00 42.33 ATOM 1337 HD21 LEU 84 7.186 -37.008 24.737 1.00 44.10 ATOM 1338 HD22 LEU 84 7.686 -38.420 23.807 1.00 22.02 ATOM 1339 HD23 LEU 84 8.900 -37.331 24.479 1.00 21.11 ATOM 1340 C LEU 84 4.122 -39.021 26.605 1.00 22.44 ATOM 1341 O LEU 84 3.379 -39.247 25.644 1.00 54.44 ATOM 1342 N ARG 85 3.839 -39.406 27.849 1.00 3.43 ATOM 1343 HN ARG 85 4.486 -39.210 28.560 1.00 39.96 ATOM 1344 CA ARG 85 2.602 -40.113 28.194 1.00 33.03 ATOM 1345 HA ARG 85 2.527 -40.981 27.554 1.00 74.35 ATOM 1346 CB ARG 85 2.668 -40.580 29.666 1.00 32.30 ATOM 1347 HB1 ARG 85 2.657 -39.707 30.306 1.00 39.96 ATOM 1348 HB2 ARG 85 3.602 -41.101 29.814 1.00 32.21 ATOM 1349 CG ARG 85 1.534 -41.513 30.112 1.00 10.31 ATOM 1350 HG1 ARG 85 1.872 -42.080 30.970 1.00 39.96 ATOM 1351 HG2 ARG 85 1.307 -42.194 29.305 1.00 23.32 ATOM 1352 CD ARG 85 0.257 -40.761 30.493 1.00 33.25 ATOM 1353 HD1 ARG 85 -0.491 -41.480 30.796 1.00 39.96 ATOM 1354 HD2 ARG 85 -0.099 -40.219 29.628 1.00 42.51 ATOM 1355 NE ARG 85 0.481 -39.816 31.587 1.00 64.54 ATOM 1356 HE ARG 85 1.393 -39.740 31.941 1.00 55.11 ATOM 1357 CZ ARG 85 -0.444 -39.063 32.117 1.00 33.43 ATOM 1358 NH1 ARG 85 -1.675 -39.136 31.718 1.00 52.24 ATOM 1359 HH11 ARG 85 -1.930 -39.779 31.001 1.00 70.33 ATOM 1360 HH12 ARG 85 -2.368 -38.547 32.129 1.00 13.55 ATOM 1361 NH2 ARG 85 -0.128 -38.248 33.066 1.00 75.42 ATOM 1362 HH21 ARG 85 0.819 -38.206 33.386 1.00 63.14 ATOM 1363 HH22 ARG 85 -0.824 -37.660 33.477 1.00 73.13 ATOM 1364 C ARG 85 1.380 -39.216 27.954 1.00 70.23 ATOM 1365 O ARG 85 0.417 -39.621 27.302 1.00 4.31 ATOM 1366 N GLY 86 1.431 -37.994 28.482 1.00 32.43 ATOM 1367 HN GLY 86 2.224 -37.730 28.999 1.00 39.96 ATOM 1368 CA GLY 86 0.332 -37.051 28.308 1.00 43.14 ATOM 1369 HA1 GLY 86 0.573 -36.139 28.833 1.00 39.96 ATOM 1370 HA2 GLY 86 -0.562 -37.475 28.744 1.00 35.41 ATOM 1371 C GLY 86 0.056 -36.715 26.844 1.00 64.52 ATOM 1372 O GLY 86 -1.062 -36.902 26.354 1.00 53.32 ATOM 1373 N CYS 87 1.079 -36.224 26.142 1.00 14.15 ATOM 1374 HN CYS 87 1.943 -36.084 26.592 1.00 39.96 ATOM 1375 CA CYS 87 0.950 -35.872 24.719 1.00 3.30 ATOM 1376 HA CYS 87 0.167 -35.133 24.635 1.00 72.32 ATOM 1377 CB CYS 87 2.258 -35.264 24.197 1.00 71.31 ATOM 1378 HB1 CYS 87 2.143 -35.024 23.149 1.00 39.96 ATOM 1379 HB2 CYS 87 3.055 -35.985 24.309 1.00 41.41 ATOM 1380 SG CYS 87 2.763 -33.754 25.053 1.00 43.05 ATOM 1381 HG CYS 87 3.917 -33.360 24.537 1.00 44.24 ATOM 1382 C CYS 87 0.569 -37.090 23.863 1.00 44.42 ATOM 1383 O CYS 87 -0.252 -36.989 22.950 1.00 30.02 ATOM 1384 N GLY 88 1.165 -38.241 24.169 1.00 62.13 ATOM 1385 HN GLY 88 1.812 -38.261 24.906 1.00 39.96 ATOM 1386 CA GLY 88 0.878 -39.466 23.426 1.00 23.24 ATOM 1387 HA1 GLY 88 1.586 -40.223 23.730 1.00 39.96 ATOM 1388 HA2 GLY 88 1.013 -39.271 22.371 1.00 3.41 ATOM 1389 C GLY 88 -0.535 -40.003 23.649 1.00 61.21 ATOM 1390 O GLY 88 -1.149 -40.544 22.732 1.00 14.43 ATOM 1391 N ALA 89 -1.054 -39.854 24.867 1.00 0.42 ATOM 1392 HN ALA 89 -0.523 -39.405 25.559 1.00 39.96 ATOM 1393 CA ALA 89 -2.391 -40.360 25.206 1.00 42.53 ATOM 1394 HA ALA 89 -2.510 -41.323 24.727 1.00 52.00 ATOM 1395 CB ALA 89 -2.499 -40.572 26.712 1.00 62.44 ATOM 1396 HB1 ALA 89 -2.401 -39.622 27.218 1.00 30.32 ATOM 1397 HB2 ALA 89 -1.713 -41.235 27.040 1.00 3.13 ATOM 1398 HB3 ALA 89 -3.459 -41.008 26.948 1.00 14.10 ATOM 1399 C ALA 89 -3.515 -39.427 24.720 1.00 23.14 ATOM 1400 O ALA 89 -4.435 -39.854 24.020 1.00 32.34 ATOM 1401 N SER 90 -3.440 -38.152 25.105 1.00 10.14 ATOM 1402 HN SER 90 -2.666 -37.862 25.633 1.00 39.96 ATOM 1403 CA SER 90 -4.486 -37.169 24.759 1.00 14.22 ATOM 1404 HA SER 90 -5.445 -37.645 24.906 1.00 72.00 ATOM 1405 CB SER 90 -4.397 -35.944 25.688 1.00 61.24 ATOM 1406 HB1 SER 90 -3.414 -35.501 25.605 1.00 39.96 ATOM 1407 HB2 SER 90 -4.563 -36.255 26.709 1.00 41.40 ATOM 1408 OG SER 90 -5.364 -34.961 25.354 1.00 22.52 ATOM 1409 HG SER 90 -5.679 -34.538 26.161 1.00 23.15 ATOM 1410 C SER 90 -4.384 -36.711 23.297 1.00 22.24 ATOM 1411 O SER 90 -5.353 -36.784 22.536 1.00 72.13 ATOM 1412 N LEU 91 -3.197 -36.255 22.908 1.00 41.42 ATOM 1413 HN LEU 91 -2.444 -36.303 23.532 1.00 39.96 ATOM 1414 CA LEU 91 -2.978 -35.682 21.574 1.00 12.42 ATOM 1415 HA LEU 91 -3.889 -35.177 21.280 1.00 42.41 ATOM 1416 CB LEU 91 -1.849 -34.646 21.649 1.00 11.41 ATOM 1417 HB1 LEU 91 -1.581 -34.357 20.643 1.00 39.96 ATOM 1418 HB2 LEU 91 -0.989 -35.115 22.110 1.00 15.31 ATOM 1419 CG LEU 91 -2.193 -33.373 22.441 1.00 12.52 ATOM 1420 HG LEU 91 -2.718 -33.648 23.345 1.00 23.13 ATOM 1421 CD1 LEU 91 -0.930 -32.618 22.843 1.00 34.55 ATOM 1422 HD11 LEU 91 -0.372 -32.346 21.958 1.00 0.34 ATOM 1423 HD12 LEU 91 -0.320 -33.249 23.473 1.00 53.35 ATOM 1424 HD13 LEU 91 -1.201 -31.725 23.386 1.00 31.13 ATOM 1425 CD2 LEU 91 -3.110 -32.474 21.616 1.00 40.43 ATOM 1426 HD21 LEU 91 -3.330 -31.573 22.169 1.00 41.43 ATOM 1427 HD22 LEU 91 -4.030 -32.996 21.400 1.00 24.31 ATOM 1428 HD23 LEU 91 -2.617 -32.215 20.686 1.00 40.04 ATOM 1429 C LEU 91 -2.654 -36.753 20.517 1.00 64.24 ATOM 1430 O LEU 91 -2.999 -36.594 19.345 1.00 40.55 ATOM 1431 N ARG 92 -1.984 -37.835 20.935 1.00 13.44 ATOM 1432 HN ARG 92 -1.736 -37.899 21.881 1.00 39.96 ATOM 1433 CA ARG 92 -1.608 -38.936 20.024 1.00 54.04 ATOM 1434 HA ARG 92 -1.108 -39.691 20.613 1.00 60.22 ATOM 1435 CB ARG 92 -2.866 -39.552 19.388 1.00 64.34 ATOM 1436 HB1 ARG 92 -2.572 -40.395 18.778 1.00 39.96 ATOM 1437 HB2 ARG 92 -3.333 -38.810 18.755 1.00 73.34 ATOM 1438 CG ARG 92 -3.901 -40.034 20.402 1.00 31.34 ATOM 1439 HG1 ARG 92 -4.167 -39.208 21.049 1.00 39.96 ATOM 1440 HG2 ARG 92 -3.470 -40.830 20.992 1.00 24.42 ATOM 1441 CD ARG 92 -5.162 -40.554 19.720 1.00 63.40 ATOM 1442 HD1 ARG 92 -5.874 -40.837 20.480 1.00 39.96 ATOM 1443 HD2 ARG 92 -4.904 -41.424 19.132 1.00 54.15 ATOM 1444 NE ARG 92 -5.773 -39.554 18.842 1.00 35.35 ATOM 1445 HE ARG 92 -5.174 -38.992 18.311 1.00 42.43 ATOM 1446 CZ ARG 92 -7.061 -39.383 18.701 1.00 73.12 ATOM 1447 NH1 ARG 92 -7.899 -40.051 19.426 1.00 73.00 ATOM 1448 HH11 ARG 92 -7.566 -40.698 20.104 1.00 51.00 ATOM 1449 HH12 ARG 92 -8.881 -39.908 19.307 1.00 52.33 ATOM 1450 NH2 ARG 92 -7.506 -38.518 17.850 1.00 52.34 ATOM 1451 HH21 ARG 92 -6.866 -37.980 17.309 1.00 21.34 ATOM 1452 HH22 ARG 92 -8.490 -38.398 17.729 1.00 60.01 ATOM 1453 C ARG 92 -0.644 -38.454 18.925 1.00 22.52 ATOM 1454 O ARG 92 -0.545 -39.058 17.853 1.00 35.53 ATOM 1455 N LEU 93 0.082 -37.377 19.212 1.00 44.22 ATOM 1456 HN LEU 93 0.023 -36.997 20.110 1.00 39.96 ATOM 1457 CA LEU 93 0.974 -36.750 18.230 1.00 22.00 ATOM 1458 HA LEU 93 0.483 -36.810 17.268 1.00 73.41 ATOM 1459 CB LEU 93 1.175 -35.261 18.577 1.00 33.15 ATOM 1460 HB1 LEU 93 0.251 -34.743 18.362 1.00 39.96 ATOM 1461 HB2 LEU 93 1.940 -34.865 17.922 1.00 55.41 ATOM 1462 CG LEU 93 1.577 -34.936 20.036 1.00 63.40 ATOM 1463 HG LEU 93 0.930 -35.487 20.706 1.00 72.21 ATOM 1464 CD1 LEU 93 3.014 -35.350 20.342 1.00 14.44 ATOM 1465 HD11 LEU 93 3.129 -36.410 20.171 1.00 14.42 ATOM 1466 HD12 LEU 93 3.241 -35.128 21.374 1.00 70.42 ATOM 1467 HD13 LEU 93 3.693 -34.806 19.699 1.00 75.23 ATOM 1468 CD2 LEU 93 1.385 -33.452 20.329 1.00 23.24 ATOM 1469 HD21 LEU 93 1.661 -33.249 21.355 1.00 33.04 ATOM 1470 HD22 LEU 93 0.348 -33.186 20.178 1.00 65.54 ATOM 1471 HD23 LEU 93 2.007 -32.866 19.666 1.00 34.23 ATOM 1472 C LEU 93 2.330 -37.468 18.116 1.00 13.44 ATOM 1473 O LEU 93 2.626 -38.398 18.870 1.00 23.25 ATOM 1474 N GLU 94 3.148 -37.017 17.167 1.00 65.43 ATOM 1475 HN GLU 94 2.835 -36.301 16.576 1.00 39.96 ATOM 1476 CA GLU 94 4.496 -37.560 16.967 1.00 65.43 ATOM 1477 HA GLU 94 4.409 -38.632 16.861 1.00 11.50 ATOM 1478 CB GLU 94 5.106 -36.978 15.685 1.00 35.23 ATOM 1479 HB1 GLU 94 6.109 -37.366 15.570 1.00 39.96 ATOM 1480 HB2 GLU 94 5.157 -35.902 15.780 1.00 11.41 ATOM 1481 CG GLU 94 4.318 -37.312 14.420 1.00 65.23 ATOM 1482 HG1 GLU 94 3.286 -37.027 14.570 1.00 39.96 ATOM 1483 HG2 GLU 94 4.372 -38.378 14.248 1.00 63.45 ATOM 1484 CD GLU 94 4.850 -36.597 13.187 1.00 50.04 ATOM 1485 OE1 GLU 94 4.172 -35.669 12.687 1.00 53.04 ATOM 1486 OE2 GLU 94 5.948 -36.960 12.712 1.00 11.43 ATOM 1487 C GLU 94 5.406 -37.249 18.168 1.00 33.11 ATOM 1488 O GLU 94 5.650 -36.084 18.488 1.00 72.51 ATOM 1489 N THR 95 5.907 -38.291 18.828 1.00 44.23 ATOM 1490 HN THR 95 5.720 -39.195 18.498 1.00 39.96 ATOM 1491 CA THR 95 6.734 -38.124 20.033 1.00 24.31 ATOM 1492 HA THR 95 6.780 -37.069 20.265 1.00 71.40 ATOM 1493 CB THR 95 6.120 -38.858 21.256 1.00 51.42 ATOM 1494 HB THR 95 6.740 -38.661 22.122 1.00 2.05 ATOM 1495 OG1 THR 95 6.091 -40.276 21.023 1.00 24.45 ATOM 1496 HG1 THR 95 6.208 -40.743 21.865 1.00 43.21 ATOM 1497 CG2 THR 95 4.708 -38.364 21.552 1.00 34.45 ATOM 1498 HG21 THR 95 4.732 -37.305 21.767 1.00 44.23 ATOM 1499 HG22 THR 95 4.312 -38.894 22.406 1.00 60.22 ATOM 1500 HG23 THR 95 4.076 -38.542 20.694 1.00 24.01 ATOM 1501 C THR 95 8.165 -38.648 19.840 1.00 1.22 ATOM 1502 O THR 95 8.473 -39.331 18.863 1.00 34.54 ATOM 1503 N PHE 96 9.030 -38.299 20.787 1.00 74.43 ATOM 1504 HN PHE 96 8.742 -37.656 21.466 1.00 39.96 ATOM 1505 CA PHE 96 10.399 -38.834 20.866 1.00 40.20 ATOM 1506 HA PHE 96 10.605 -39.402 19.965 1.00 34.25 ATOM 1507 CB PHE 96 11.407 -37.679 20.977 1.00 63.30 ATOM 1508 HB1 PHE 96 11.333 -37.061 20.091 1.00 39.96 ATOM 1509 HB2 PHE 96 12.408 -38.087 21.036 1.00 22.24 ATOM 1510 CG PHE 96 11.193 -36.792 22.184 1.00 40.13 ATOM 1511 CD1 PHE 96 10.235 -35.786 22.164 1.00 21.03 ATOM 1512 HD1 PHE 96 9.639 -35.641 21.274 1.00 12.13 ATOM 1513 CD2 PHE 96 11.947 -36.964 23.337 1.00 45.33 ATOM 1514 HD2 PHE 96 12.699 -37.741 23.368 1.00 53.23 ATOM 1515 CE1 PHE 96 10.034 -34.975 23.265 1.00 53.33 ATOM 1516 HE1 PHE 96 9.285 -34.196 23.234 1.00 43.44 ATOM 1517 CE2 PHE 96 11.750 -36.155 24.440 1.00 61.13 ATOM 1518 HE2 PHE 96 12.346 -36.302 25.331 1.00 4.44 ATOM 1519 CZ PHE 96 10.793 -35.160 24.405 1.00 1.03 ATOM 1520 HZ PHE 96 10.637 -34.527 25.267 1.00 65.32 ATOM 1521 C PHE 96 10.521 -39.761 22.085 1.00 34.02 ATOM 1522 O PHE 96 9.549 -39.952 22.817 1.00 44.15 ATOM 1523 N ASP 97 11.696 -40.346 22.303 1.00 13.23 ATOM 1524 HN ASP 97 12.415 -40.247 21.642 1.00 39.96 ATOM 1525 CA ASP 97 11.940 -41.146 23.507 1.00 35.32 ATOM 1526 HA ASP 97 10.989 -41.290 24.007 1.00 11.33 ATOM 1527 CB ASP 97 12.514 -42.518 23.131 1.00 5.03 ATOM 1528 HB1 ASP 97 13.471 -42.380 22.647 1.00 39.96 ATOM 1529 HB2 ASP 97 11.839 -43.008 22.445 1.00 72.22 ATOM 1530 CG ASP 97 12.705 -43.414 24.342 1.00 24.31 ATOM 1531 OD1 ASP 97 13.859 -43.576 24.790 1.00 33.13 ATOM 1532 OD2 ASP 97 11.701 -43.946 24.862 1.00 61.21 ATOM 1533 C ASP 97 12.886 -40.404 24.469 1.00 41.31 ATOM 1534 O ASP 97 13.707 -39.588 24.044 1.00 74.41 ATOM 1535 N ALA 98 12.768 -40.698 25.765 1.00 42.02 ATOM 1536 HN ALA 98 12.139 -41.401 26.035 1.00 39.96 ATOM 1537 CA ALA 98 13.547 -40.005 26.800 1.00 14.20 ATOM 1538 HA ALA 98 13.220 -38.974 26.817 1.00 13.51 ATOM 1539 CB ALA 98 13.249 -40.609 28.168 1.00 21.31 ATOM 1540 HB1 ALA 98 12.183 -40.588 28.347 1.00 10.15 ATOM 1541 HB2 ALA 98 13.751 -40.035 28.934 1.00 40.24 ATOM 1542 HB3 ALA 98 13.597 -41.631 28.196 1.00 31.11 ATOM 1543 C ALA 98 15.061 -40.033 26.523 1.00 34.40 ATOM 1544 O ALA 98 15.767 -39.056 26.783 1.00 61.22 ATOM 1545 N ASN 99 15.553 -41.146 25.979 1.00 14.42 ATOM 1546 HN ASN 99 14.938 -41.878 25.752 1.00 39.96 ATOM 1547 CA ASN 99 16.989 -41.304 25.709 1.00 64.42 ATOM 1548 HA ASN 99 17.514 -41.081 26.629 1.00 32.21 ATOM 1549 CB ASN 99 17.302 -42.751 25.309 1.00 51.03 ATOM 1550 HB1 ASN 99 18.322 -42.810 24.955 1.00 39.96 ATOM 1551 HB2 ASN 99 16.634 -43.055 24.516 1.00 1.01 ATOM 1552 CG ASN 99 17.141 -43.715 26.470 1.00 74.30 ATOM 1553 OD1 ASN 99 18.078 -43.971 27.212 1.00 11.41 ATOM 1554 ND2 ASN 99 15.954 -44.255 26.639 1.00 23.32 ATOM 1555 HD21 ASN 99 15.242 -44.014 26.017 1.00 4.34 ATOM 1556 HD22 ASN 99 15.835 -44.882 27.381 1.00 32.05 ATOM 1557 C ASN 99 17.492 -40.333 24.624 1.00 51.21 ATOM 1558 O ASN 99 18.615 -39.829 24.715 1.00 50.24 ATOM 1559 N ASP 100 16.663 -40.068 23.607 1.00 10.14 ATOM 1560 HN ASP 100 15.780 -40.499 23.583 1.00 39.96 ATOM 1561 CA ASP 100 17.037 -39.139 22.530 1.00 61.23 ATOM 1562 HA ASP 100 17.890 -39.557 22.012 1.00 75.43 ATOM 1563 CB ASP 100 15.882 -38.972 21.534 1.00 61.10 ATOM 1564 HB1 ASP 100 16.152 -38.223 20.802 1.00 39.96 ATOM 1565 HB2 ASP 100 15.003 -38.639 22.069 1.00 23.01 ATOM 1566 CG ASP 100 15.542 -40.256 20.801 1.00 70.41 ATOM 1567 OD1 ASP 100 16.296 -40.643 19.884 1.00 43.13 ATOM 1568 OD2 ASP 100 14.508 -40.877 21.113 1.00 31.51 ATOM 1569 C ASP 100 17.425 -37.762 23.093 1.00 13.13 ATOM 1570 O ASP 100 18.481 -37.213 22.768 1.00 14.42 ATOM 1571 N LEU 101 16.561 -37.228 23.950 1.00 70.04 ATOM 1572 HN LEU 101 15.764 -37.744 24.194 1.00 39.96 ATOM 1573 CA LEU 101 16.751 -35.898 24.539 1.00 52.23 ATOM 1574 HA LEU 101 17.091 -35.233 23.759 1.00 42.43 ATOM 1575 CB LEU 101 15.407 -35.386 25.075 1.00 43.01 ATOM 1576 HB1 LEU 101 15.019 -36.122 25.767 1.00 39.96 ATOM 1577 HB2 LEU 101 14.721 -35.308 24.244 1.00 72.43 ATOM 1578 CG LEU 101 15.446 -34.029 25.796 1.00 43.14 ATOM 1579 HG LEU 101 16.116 -34.098 26.641 1.00 64.30 ATOM 1580 CD1 LEU 101 15.973 -32.930 24.873 1.00 72.42 ATOM 1581 HD11 LEU 101 15.981 -31.988 25.401 1.00 4.15 ATOM 1582 HD12 LEU 101 15.337 -32.850 24.003 1.00 25.32 ATOM 1583 HD13 LEU 101 16.978 -33.174 24.560 1.00 50.34 ATOM 1584 CD2 LEU 101 14.059 -33.677 26.324 1.00 63.02 ATOM 1585 HD21 LEU 101 13.731 -34.440 27.015 1.00 34.04 ATOM 1586 HD22 LEU 101 13.363 -33.617 25.499 1.00 72.41 ATOM 1587 HD23 LEU 101 14.096 -32.725 26.832 1.00 11.24 ATOM 1588 C LEU 101 17.790 -35.907 25.672 1.00 14.40 ATOM 1589 O LEU 101 18.739 -35.121 25.664 1.00 11.23 ATOM 1590 N TYR 102 17.608 -36.808 26.633 1.00 64.15 ATOM 1591 HN TYR 102 16.887 -37.466 26.536 1.00 39.96 ATOM 1592 CA TYR 102 18.447 -36.847 27.836 1.00 32.25 ATOM 1593 HA TYR 102 18.336 -35.896 28.339 1.00 3.35 ATOM 1594 CB TYR 102 17.965 -37.954 28.781 1.00 71.13 ATOM 1595 HB1 TYR 102 18.063 -38.909 28.284 1.00 39.96 ATOM 1596 HB2 TYR 102 16.927 -37.786 29.023 1.00 73.14 ATOM 1597 CG TYR 102 18.747 -38.019 30.080 1.00 34.21 ATOM 1598 CD1 TYR 102 18.597 -37.040 31.057 1.00 3.33 ATOM 1599 HD1 TYR 102 17.901 -36.229 30.887 1.00 72.41 ATOM 1600 CD2 TYR 102 19.647 -39.049 30.320 1.00 43.30 ATOM 1601 HD2 TYR 102 19.777 -39.818 29.574 1.00 3.30 ATOM 1602 CE1 TYR 102 19.319 -37.090 32.234 1.00 34.33 ATOM 1603 HE1 TYR 102 19.189 -36.318 32.981 1.00 5.55 ATOM 1604 CE2 TYR 102 20.369 -39.107 31.495 1.00 54.24 ATOM 1605 HE2 TYR 102 21.062 -39.918 31.663 1.00 30.43 ATOM 1606 CZ TYR 102 20.204 -38.125 32.446 1.00 14.13 ATOM 1607 OH TYR 102 20.936 -38.174 33.608 1.00 30.34 ATOM 1608 HH TYR 102 21.867 -38.314 33.383 1.00 72.20 ATOM 1609 C TYR 102 19.935 -37.055 27.506 1.00 54.53 ATOM 1610 O TYR 102 20.794 -36.300 27.966 1.00 55.33 ATOM 1611 N GLN 103 20.238 -38.078 26.707 1.00 71.14 ATOM 1612 HN GLN 103 19.512 -38.625 26.332 1.00 39.96 ATOM 1613 CA GLN 103 21.633 -38.406 26.371 1.00 2.15 ATOM 1614 HA GLN 103 22.227 -38.262 27.262 1.00 54.45 ATOM 1615 CB GLN 103 21.740 -39.878 25.943 1.00 11.21 ATOM 1616 HB1 GLN 103 22.757 -40.080 25.633 1.00 39.96 ATOM 1617 HB2 GLN 103 21.081 -40.042 25.101 1.00 3.21 ATOM 1618 CG GLN 103 21.368 -40.875 27.040 1.00 2.21 ATOM 1619 HG1 GLN 103 21.413 -41.874 26.631 1.00 39.96 ATOM 1620 HG2 GLN 103 20.358 -40.670 27.366 1.00 62.15 ATOM 1621 CD GLN 103 22.289 -40.806 28.250 1.00 52.32 ATOM 1622 OE1 GLN 103 23.464 -40.468 28.138 1.00 54.13 ATOM 1623 NE2 GLN 103 21.767 -41.131 29.417 1.00 35.03 ATOM 1624 HE21 GLN 103 20.825 -41.399 29.446 1.00 64.40 ATOM 1625 HE22 GLN 103 22.342 -41.089 30.210 1.00 62.40 ATOM 1626 C GLN 103 22.193 -37.494 25.264 1.00 24.54 ATOM 1627 O GLN 103 23.358 -37.619 24.876 1.00 62.22 ATOM 1628 N GLY 104 21.365 -36.575 24.768 1.00 45.43 ATOM 1629 HN GLY 104 20.465 -36.489 25.149 1.00 39.96 ATOM 1630 CA GLY 104 21.783 -35.686 23.688 1.00 22.01 ATOM 1631 HA1 GLY 104 22.685 -35.171 23.989 1.00 39.96 ATOM 1632 HA2 GLY 104 21.006 -34.954 23.522 1.00 23.53 ATOM 1633 C GLY 104 22.049 -36.424 22.379 1.00 14.34 ATOM 1634 O GLY 104 22.986 -36.100 21.645 1.00 31.24 ATOM 1635 N GLN 105 21.219 -37.419 22.082 1.00 31.32 ATOM 1636 HN GLN 105 20.472 -37.610 22.689 1.00 39.96 ATOM 1637 CA GLN 105 21.384 -38.230 20.872 1.00 65.42 ATOM 1638 HA GLN 105 22.442 -38.295 20.657 1.00 54.52 ATOM 1639 CB GLN 105 20.837 -39.651 21.103 1.00 74.02 ATOM 1640 HB1 GLN 105 20.998 -40.234 20.208 1.00 39.96 ATOM 1641 HB2 GLN 105 19.774 -39.585 21.289 1.00 31.51 ATOM 1642 CG GLN 105 21.480 -40.390 22.279 1.00 10.22 ATOM 1643 HG1 GLN 105 20.934 -41.310 22.445 1.00 39.96 ATOM 1644 HG2 GLN 105 21.404 -39.770 23.160 1.00 1.11 ATOM 1645 CD GLN 105 22.950 -40.733 22.059 1.00 31.50 ATOM 1646 OE1 GLN 105 23.673 -40.042 21.351 1.00 52.22 ATOM 1647 NE2 GLN 105 23.402 -41.814 22.659 1.00 30.12 ATOM 1648 HE21 GLN 105 22.779 -42.342 23.202 1.00 34.43 ATOM 1649 HE22 GLN 105 24.351 -42.041 22.548 1.00 54.45 ATOM 1650 C GLN 105 20.678 -37.581 19.673 1.00 72.30 ATOM 1651 O GLN 105 21.318 -36.975 18.813 1.00 74.23 ATOM 1652 N ASN 106 19.353 -37.695 19.634 1.00 3.45 ATOM 1653 HN ASN 106 18.896 -38.156 20.366 1.00 39.96 ATOM 1654 CA ASN 106 18.556 -37.141 18.535 1.00 65.13 ATOM 1655 HA ASN 106 19.234 -36.756 17.783 1.00 13.42 ATOM 1656 CB ASN 106 17.682 -38.230 17.907 1.00 24.21 ATOM 1657 HB1 ASN 106 17.153 -37.811 17.062 1.00 39.96 ATOM 1658 HB2 ASN 106 16.963 -38.570 18.638 1.00 13.24 ATOM 1659 CG ASN 106 18.471 -39.431 17.425 1.00 72.44 ATOM 1660 OD1 ASN 106 19.612 -39.315 16.989 1.00 33.33 ATOM 1661 ND2 ASN 106 17.870 -40.600 17.520 1.00 12.35 ATOM 1662 HD21 ASN 106 16.968 -40.625 17.899 1.00 1.52 ATOM 1663 HD22 ASN 106 18.348 -41.392 17.207 1.00 64.21 ATOM 1664 C ASN 106 17.655 -35.998 19.022 1.00 53.25 ATOM 1665 O ASN 106 16.539 -36.236 19.491 1.00 52.20 ATOM 1666 N PHE 107 18.131 -34.761 18.918 1.00 24.01 ATOM 1667 HN PHE 107 19.037 -34.619 18.565 1.00 39.96 ATOM 1668 CA PHE 107 17.320 -33.607 19.313 1.00 0.31 ATOM 1669 HA PHE 107 16.797 -33.874 20.222 1.00 53.23 ATOM 1670 CB PHE 107 18.191 -32.373 19.593 1.00 2.45 ATOM 1671 HB1 PHE 107 18.700 -32.079 18.685 1.00 39.96 ATOM 1672 HB2 PHE 107 18.925 -32.619 20.348 1.00 11.53 ATOM 1673 CG PHE 107 17.389 -31.193 20.087 1.00 1.14 ATOM 1674 CD1 PHE 107 16.922 -31.157 21.394 1.00 0.25 ATOM 1675 HD1 PHE 107 17.152 -31.974 22.063 1.00 41.41 ATOM 1676 CD2 PHE 107 17.082 -30.135 19.242 1.00 54.13 ATOM 1677 HD2 PHE 107 17.441 -30.149 18.223 1.00 50.21 ATOM 1678 CE1 PHE 107 16.168 -30.091 21.847 1.00 43.45 ATOM 1679 HE1 PHE 107 15.812 -30.076 22.867 1.00 75.10 ATOM 1680 CE2 PHE 107 16.331 -29.066 19.691 1.00 20.14 ATOM 1681 HE2 PHE 107 16.100 -28.248 19.024 1.00 22.34 ATOM 1682 CZ PHE 107 15.872 -29.045 20.994 1.00 40.42 ATOM 1683 HZ PHE 107 15.281 -28.210 21.346 1.00 3.52 ATOM 1684 C PHE 107 16.276 -33.282 18.235 1.00 1.31 ATOM 1685 O PHE 107 15.198 -32.775 18.538 1.00 2.23 ATOM 1686 N ASN 108 16.600 -33.590 16.980 1.00 35.20 ATOM 1687 HN ASN 108 17.494 -33.954 16.799 1.00 39.96 ATOM 1688 CA ASN 108 15.673 -33.387 15.858 1.00 61.22 ATOM 1689 HA ASN 108 15.511 -32.321 15.764 1.00 42.23 ATOM 1690 CB ASN 108 16.304 -33.900 14.551 1.00 61.02 ATOM 1691 HB1 ASN 108 17.091 -33.221 14.253 1.00 39.96 ATOM 1692 HB2 ASN 108 15.550 -33.924 13.778 1.00 14.53 ATOM 1693 CG ASN 108 16.899 -35.296 14.680 1.00 72.12 ATOM 1694 OD1 ASN 108 16.426 -36.125 15.451 1.00 34.42 ATOM 1695 ND2 ASN 108 17.946 -35.568 13.930 1.00 25.12 ATOM 1696 HD21 ASN 108 18.285 -34.870 13.331 1.00 42.02 ATOM 1697 HD22 ASN 108 18.349 -36.457 14.009 1.00 72.34 ATOM 1698 C ASN 108 14.308 -34.057 16.115 1.00 44.55 ATOM 1699 O ASN 108 13.261 -33.517 15.753 1.00 14.43 ATOM 1700 N LYS 109 14.326 -35.227 16.755 1.00 2.15 ATOM 1701 HN LYS 109 15.192 -35.643 16.956 1.00 39.96 ATOM 1702 CA LYS 109 13.091 -35.915 17.153 1.00 33.12 ATOM 1703 HA LYS 109 12.476 -36.026 16.272 1.00 64.51 ATOM 1704 CB LYS 109 13.410 -37.307 17.719 1.00 53.34 ATOM 1705 HB1 LYS 109 12.487 -37.772 18.037 1.00 39.96 ATOM 1706 HB2 LYS 109 14.058 -37.193 18.577 1.00 75.31 ATOM 1707 CG LYS 109 14.094 -38.237 16.721 1.00 73.21 ATOM 1708 HG1 LYS 109 14.976 -37.746 16.333 1.00 39.96 ATOM 1709 HG2 LYS 109 13.411 -38.445 15.908 1.00 0.21 ATOM 1710 CD LYS 109 14.508 -39.558 17.367 1.00 25.51 ATOM 1711 HD1 LYS 109 15.118 -39.343 18.234 1.00 39.96 ATOM 1712 HD2 LYS 109 15.086 -40.129 16.658 1.00 31.13 ATOM 1713 CE LYS 109 13.314 -40.390 17.806 1.00 75.44 ATOM 1714 HE1 LYS 109 12.740 -40.659 16.933 1.00 39.96 ATOM 1715 HE2 LYS 109 12.704 -39.804 18.474 1.00 63.34 ATOM 1716 NZ LYS 109 13.738 -41.632 18.505 1.00 71.54 ATOM 1717 HZ1 LYS 109 12.908 -42.140 18.864 1.00 61.22 ATOM 1718 HZ2 LYS 109 14.360 -41.401 19.308 1.00 63.40 ATOM 1719 HZ3 LYS 109 14.253 -42.254 17.850 1.00 50.24 ATOM 1720 C LYS 109 12.317 -35.099 18.197 1.00 61.22 ATOM 1721 O LYS 109 11.091 -34.967 18.125 1.00 55.10 ATOM 1722 N VAL 110 13.049 -34.547 19.161 1.00 31.01 ATOM 1723 HN VAL 110 14.020 -34.687 19.156 1.00 39.96 ATOM 1724 CA VAL 110 12.456 -33.730 20.223 1.00 34.05 ATOM 1725 HA VAL 110 11.681 -34.314 20.702 1.00 12.32 ATOM 1726 CB VAL 110 13.515 -33.350 21.286 1.00 65.44 ATOM 1727 HB VAL 110 14.230 -32.682 20.822 1.00 74.31 ATOM 1728 CG1 VAL 110 12.874 -32.609 22.460 1.00 62.12 ATOM 1729 HG11 VAL 110 12.428 -31.689 22.108 1.00 12.42 ATOM 1730 HG12 VAL 110 13.628 -32.381 23.199 1.00 42.23 ATOM 1731 HG13 VAL 110 12.110 -33.230 22.906 1.00 4.43 ATOM 1732 CG2 VAL 110 14.270 -34.589 21.764 1.00 44.01 ATOM 1733 HG21 VAL 110 15.023 -34.297 22.481 1.00 71.15 ATOM 1734 HG22 VAL 110 14.745 -35.069 20.921 1.00 52.54 ATOM 1735 HG23 VAL 110 13.580 -35.278 22.228 1.00 72.04 ATOM 1736 C VAL 110 11.838 -32.447 19.653 1.00 5.04 ATOM 1737 O VAL 110 10.669 -32.144 19.890 1.00 41.01 ATOM 1738 N LEU 111 12.637 -31.709 18.887 1.00 73.24 ATOM 1739 HN LEU 111 13.549 -32.022 18.720 1.00 39.96 ATOM 1740 CA LEU 111 12.204 -30.445 18.289 1.00 53.22 ATOM 1741 HA LEU 111 11.940 -29.777 19.097 1.00 40.34 ATOM 1742 CB LEU 111 13.365 -29.828 17.496 1.00 23.40 ATOM 1743 HB1 LEU 111 13.600 -30.488 16.672 1.00 39.96 ATOM 1744 HB2 LEU 111 14.227 -29.777 18.147 1.00 2.12 ATOM 1745 CG LEU 111 13.108 -28.424 16.929 1.00 1.23 ATOM 1746 HG LEU 111 12.269 -28.465 16.249 1.00 54.40 ATOM 1747 CD1 LEU 111 12.759 -27.443 18.048 1.00 71.13 ATOM 1748 HD11 LEU 111 13.587 -27.372 18.739 1.00 24.14 ATOM 1749 HD12 LEU 111 11.882 -27.791 18.574 1.00 40.40 ATOM 1750 HD13 LEU 111 12.559 -26.469 17.625 1.00 24.55 ATOM 1751 CD2 LEU 111 14.326 -27.940 16.146 1.00 32.15 ATOM 1752 HD21 LEU 111 14.536 -28.630 15.342 1.00 2.35 ATOM 1753 HD22 LEU 111 15.181 -27.883 16.804 1.00 60.53 ATOM 1754 HD23 LEU 111 14.124 -26.961 15.734 1.00 1.23 ATOM 1755 C LEU 111 10.972 -30.637 17.386 1.00 41.14 ATOM 1756 O LEU 111 9.985 -29.914 17.511 1.00 44.03 ATOM 1757 N SER 112 11.028 -31.625 16.489 1.00 71.34 ATOM 1758 HN SER 112 11.852 -32.156 16.415 1.00 39.96 ATOM 1759 CA SER 112 9.895 -31.933 15.598 1.00 71.11 ATOM 1760 HA SER 112 9.689 -31.048 15.010 1.00 42.21 ATOM 1761 CB SER 112 10.255 -33.084 14.650 1.00 24.20 ATOM 1762 HB1 SER 112 9.431 -33.261 13.972 1.00 39.96 ATOM 1763 HB2 SER 112 10.443 -33.978 15.224 1.00 63.42 ATOM 1764 OG SER 112 11.416 -32.778 13.889 1.00 33.40 ATOM 1765 HG SER 112 12.130 -33.380 14.143 1.00 61.40 ATOM 1766 C SER 112 8.632 -32.295 16.399 1.00 0.02 ATOM 1767 O SER 112 7.510 -31.986 15.987 1.00 42.44 ATOM 1768 N SER 113 8.820 -32.951 17.545 1.00 33.33 ATOM 1769 HN SER 113 9.730 -33.225 17.794 1.00 39.96 ATOM 1770 CA SER 113 7.701 -33.280 18.444 1.00 23.33 ATOM 1771 HA SER 113 6.936 -33.765 17.852 1.00 34.53 ATOM 1772 CB SER 113 8.157 -34.243 19.551 1.00 15.33 ATOM 1773 HB1 SER 113 8.929 -33.770 20.141 1.00 39.96 ATOM 1774 HB2 SER 113 8.551 -35.142 19.102 1.00 34.52 ATOM 1775 OG SER 113 7.080 -34.596 20.407 1.00 63.02 ATOM 1776 HG SER 113 6.378 -35.006 19.887 1.00 43.43 ATOM 1777 C SER 113 7.107 -32.011 19.073 1.00 63.54 ATOM 1778 O SER 113 5.887 -31.839 19.116 1.00 2.13 ATOM 1779 N LEU 114 7.980 -31.117 19.546 1.00 51.15 ATOM 1780 HN LEU 114 8.939 -31.325 19.510 1.00 39.96 ATOM 1781 CA LEU 114 7.550 -29.837 20.127 1.00 4.21 ATOM 1782 HA LEU 114 6.874 -30.056 20.942 1.00 34.22 ATOM 1783 CB LEU 114 8.760 -29.070 20.679 1.00 41.01 ATOM 1784 HB1 LEU 114 8.416 -28.118 21.056 1.00 39.96 ATOM 1785 HB2 LEU 114 9.445 -28.886 19.861 1.00 20.35 ATOM 1786 CG LEU 114 9.531 -29.784 21.803 1.00 13.22 ATOM 1787 HG LEU 114 9.912 -30.723 21.424 1.00 20.30 ATOM 1788 CD1 LEU 114 10.726 -28.947 22.258 1.00 30.43 ATOM 1789 HD11 LEU 114 10.379 -27.993 22.630 1.00 52.22 ATOM 1790 HD12 LEU 114 11.393 -28.787 21.426 1.00 32.31 ATOM 1791 HD13 LEU 114 11.253 -29.469 23.045 1.00 0.01 ATOM 1792 CD2 LEU 114 8.606 -30.093 22.982 1.00 22.21 ATOM 1793 HD21 LEU 114 9.165 -30.597 23.757 1.00 21.34 ATOM 1794 HD22 LEU 114 7.798 -30.729 22.652 1.00 74.22 ATOM 1795 HD23 LEU 114 8.200 -29.171 23.374 1.00 74.11 ATOM 1796 C LEU 114 6.808 -28.975 19.092 1.00 13.41 ATOM 1797 O LEU 114 5.792 -28.349 19.402 1.00 14.50 ATOM 1798 N VAL 115 7.320 -28.950 17.862 1.00 52.10 ATOM 1799 HN VAL 115 8.172 -29.405 17.693 1.00 39.96 ATOM 1800 CA VAL 115 6.646 -28.254 16.760 1.00 64.11 ATOM 1801 HA VAL 115 6.577 -27.205 17.024 1.00 71.41 ATOM 1802 CB VAL 115 7.444 -28.374 15.435 1.00 42.42 ATOM 1803 HB VAL 115 7.567 -29.425 15.211 1.00 23.21 ATOM 1804 CG1 VAL 115 6.686 -27.727 14.273 1.00 25.11 ATOM 1805 HG11 VAL 115 7.267 -27.818 13.365 1.00 73.21 ATOM 1806 HG12 VAL 115 6.519 -26.682 14.487 1.00 32.41 ATOM 1807 HG13 VAL 115 5.734 -28.222 14.140 1.00 51.22 ATOM 1808 CG2 VAL 115 8.832 -27.754 15.585 1.00 4.03 ATOM 1809 HG21 VAL 115 9.379 -27.860 14.659 1.00 61.22 ATOM 1810 HG22 VAL 115 9.368 -28.256 16.378 1.00 14.21 ATOM 1811 HG23 VAL 115 8.734 -26.705 15.826 1.00 54.51 ATOM 1812 C VAL 115 5.228 -28.807 16.558 1.00 60.10 ATOM 1813 O VAL 115 4.268 -28.048 16.430 1.00 55.12 ATOM 1814 N THR 116 5.104 -30.136 16.547 1.00 65.32 ATOM 1815 HN THR 116 5.913 -30.691 16.594 1.00 39.96 ATOM 1816 CA THR 116 3.788 -30.790 16.462 1.00 13.33 ATOM 1817 HA THR 116 3.314 -30.464 15.546 1.00 22.22 ATOM 1818 CB THR 116 3.911 -32.333 16.424 1.00 41.45 ATOM 1819 HB THR 116 4.395 -32.663 17.334 1.00 3.22 ATOM 1820 OG1 THR 116 4.711 -32.739 15.301 1.00 41.44 ATOM 1821 HG1 THR 116 5.635 -32.815 15.575 1.00 23.23 ATOM 1822 CG2 THR 116 2.533 -32.994 16.339 1.00 43.03 ATOM 1823 HG21 THR 116 1.937 -32.706 17.198 1.00 34.23 ATOM 1824 HG22 THR 116 2.646 -34.068 16.327 1.00 71.33 ATOM 1825 HG23 THR 116 2.032 -32.677 15.435 1.00 54.23 ATOM 1826 C THR 116 2.900 -30.400 17.649 1.00 60.22 ATOM 1827 O THR 116 1.706 -30.144 17.490 1.00 3.10 ATOM 1828 N LEU 117 3.499 -30.360 18.837 1.00 54.22 ATOM 1829 HN LEU 117 4.446 -30.611 18.898 1.00 39.96 ATOM 1830 CA LEU 117 2.795 -29.960 20.059 1.00 63.24 ATOM 1831 HA LEU 117 1.971 -30.645 20.203 1.00 30.04 ATOM 1832 CB LEU 117 3.744 -30.065 21.262 1.00 2.25 ATOM 1833 HB1 LEU 117 4.558 -29.370 21.110 1.00 39.96 ATOM 1834 HB2 LEU 117 4.153 -31.067 21.281 1.00 33.33 ATOM 1835 CG LEU 117 3.120 -29.779 22.638 1.00 71.05 ATOM 1836 HG LEU 117 2.716 -28.776 22.642 1.00 22.15 ATOM 1837 CD1 LEU 117 1.976 -30.745 22.930 1.00 52.20 ATOM 1838 HD11 LEU 117 1.219 -30.651 22.164 1.00 32.31 ATOM 1839 HD12 LEU 117 1.542 -30.510 23.892 1.00 24.12 ATOM 1840 HD13 LEU 117 2.351 -31.759 22.943 1.00 20.10 ATOM 1841 CD2 LEU 117 4.181 -29.862 23.731 1.00 12.04 ATOM 1842 HD21 LEU 117 4.616 -30.851 23.739 1.00 33.23 ATOM 1843 HD22 LEU 117 3.728 -29.662 24.692 1.00 25.22 ATOM 1844 HD23 LEU 117 4.954 -29.131 23.541 1.00 42.35 ATOM 1845 C LEU 117 2.232 -28.533 19.933 1.00 33.25 ATOM 1846 O LEU 117 1.136 -28.240 20.415 1.00 30.40 ATOM 1847 N ASN 118 2.984 -27.651 19.275 1.00 53.24 ATOM 1848 HN ASN 118 3.883 -27.917 18.982 1.00 39.96 ATOM 1849 CA ASN 118 2.512 -26.291 18.994 1.00 63.32 ATOM 1850 HA ASN 118 2.101 -25.892 19.911 1.00 62.22 ATOM 1851 CB ASN 118 3.680 -25.401 18.548 1.00 5.43 ATOM 1852 HB1 ASN 118 4.141 -25.835 17.671 1.00 39.96 ATOM 1853 HB2 ASN 118 4.411 -25.352 19.341 1.00 15.50 ATOM 1854 CG ASN 118 3.240 -23.984 18.209 1.00 11.13 ATOM 1855 OD1 ASN 118 2.966 -23.663 17.057 1.00 71.24 ATOM 1856 ND2 ASN 118 3.165 -23.125 19.207 1.00 71.32 ATOM 1857 HD21 ASN 118 3.396 -23.434 20.106 1.00 65.44 ATOM 1858 HD22 ASN 118 2.864 -22.213 19.010 1.00 45.10 ATOM 1859 C ASN 118 1.403 -26.298 17.926 1.00 70.21 ATOM 1860 O ASN 118 0.410 -25.590 18.049 1.00 74.23 ATOM 1861 N LYS 119 1.579 -27.112 16.887 1.00 52.15 ATOM 1862 HN LYS 119 2.404 -27.640 16.835 1.00 39.96 ATOM 1863 CA LYS 119 0.584 -27.238 15.809 1.00 45.34 ATOM 1864 HA LYS 119 0.499 -26.275 15.326 1.00 52.42 ATOM 1865 CB LYS 119 1.057 -28.271 14.775 1.00 52.12 ATOM 1866 HB1 LYS 119 0.261 -28.442 14.063 1.00 39.96 ATOM 1867 HB2 LYS 119 1.271 -29.200 15.287 1.00 5.10 ATOM 1868 CG LYS 119 2.306 -27.853 14.001 1.00 52.04 ATOM 1869 HG1 LYS 119 3.045 -27.487 14.702 1.00 39.96 ATOM 1870 HG2 LYS 119 2.043 -27.063 13.312 1.00 2.45 ATOM 1871 CD LYS 119 2.908 -29.019 13.212 1.00 11.24 ATOM 1872 HD1 LYS 119 3.221 -29.783 13.907 1.00 39.96 ATOM 1873 HD2 LYS 119 3.768 -28.662 12.665 1.00 31.40 ATOM 1874 CE LYS 119 1.917 -29.628 12.223 1.00 54.41 ATOM 1875 HE1 LYS 119 1.621 -28.869 11.513 1.00 39.96 ATOM 1876 HE2 LYS 119 1.048 -29.973 12.765 1.00 44.42 ATOM 1877 NZ LYS 119 2.510 -30.777 11.485 1.00 71.24 ATOM 1878 HZ1 LYS 119 2.731 -31.554 12.142 1.00 65.41 ATOM 1879 HZ2 LYS 119 3.387 -30.483 11.010 1.00 3.41 ATOM 1880 HZ3 LYS 119 1.844 -31.126 10.767 1.00 24.32 ATOM 1881 C LYS 119 -0.801 -27.648 16.344 1.00 14.43 ATOM 1882 O LYS 119 -1.792 -26.941 16.150 1.00 14.11 ATOM 1883 N VAL 120 -0.856 -28.792 17.023 1.00 53.12 ATOM 1884 HN VAL 120 -0.023 -29.282 17.195 1.00 39.96 ATOM 1885 CA VAL 120 -2.123 -29.343 17.524 1.00 41.13 ATOM 1886 HA VAL 120 -2.766 -29.502 16.668 1.00 73.33 ATOM 1887 CB VAL 120 -1.911 -30.718 18.215 1.00 33.24 ATOM 1888 HB VAL 120 -2.867 -31.058 18.593 1.00 21.01 ATOM 1889 CG1 VAL 120 -1.406 -31.756 17.213 1.00 64.44 ATOM 1890 HG11 VAL 120 -0.475 -31.419 16.778 1.00 32.32 ATOM 1891 HG12 VAL 120 -2.139 -31.890 16.431 1.00 60.42 ATOM 1892 HG13 VAL 120 -1.245 -32.698 17.718 1.00 41.14 ATOM 1893 CG2 VAL 120 -0.951 -30.593 19.398 1.00 3.03 ATOM 1894 HG21 VAL 120 -0.804 -31.565 19.850 1.00 43.02 ATOM 1895 HG22 VAL 120 -1.368 -29.918 20.132 1.00 73.25 ATOM 1896 HG23 VAL 120 -0.001 -30.208 19.056 1.00 64.23 ATOM 1897 C VAL 120 -2.840 -28.386 18.496 1.00 32.31 ATOM 1898 O VAL 120 -4.069 -28.290 18.491 1.00 71.34 ATOM 1899 N THR 121 -2.076 -27.674 19.321 1.00 24.32 ATOM 1900 HN THR 121 -1.101 -27.778 19.281 1.00 39.96 ATOM 1901 CA THR 121 -2.657 -26.730 20.289 1.00 61.41 ATOM 1902 HA THR 121 -3.560 -27.181 20.685 1.00 21.22 ATOM 1903 CB THR 121 -1.699 -26.468 21.473 1.00 25.43 ATOM 1904 HB THR 121 -2.134 -25.706 22.108 1.00 64.33 ATOM 1905 OG1 THR 121 -0.432 -26.003 20.990 1.00 52.21 ATOM 1906 HG1 THR 121 0.234 -26.689 21.116 1.00 41.21 ATOM 1907 CG2 THR 121 -1.501 -27.734 22.301 1.00 62.10 ATOM 1908 HG21 THR 121 -2.454 -28.070 22.682 1.00 64.11 ATOM 1909 HG22 THR 121 -0.839 -27.522 23.127 1.00 51.42 ATOM 1910 HG23 THR 121 -1.067 -28.507 21.682 1.00 74.41 ATOM 1911 C THR 121 -3.032 -25.393 19.630 1.00 60.22 ATOM 1912 O THR 121 -4.063 -24.801 19.953 1.00 42.02 ATOM 1913 N ALA 122 -2.201 -24.926 18.699 1.00 42.33 ATOM 1914 HN ALA 122 -1.359 -25.401 18.533 1.00 39.96 ATOM 1915 CA ALA 122 -2.503 -23.713 17.926 1.00 24.04 ATOM 1916 HA ALA 122 -2.673 -22.907 18.627 1.00 73.34 ATOM 1917 CB ALA 122 -1.321 -23.331 17.039 1.00 4.41 ATOM 1918 HB1 ALA 122 -0.441 -23.186 17.651 1.00 2.30 ATOM 1919 HB2 ALA 122 -1.545 -22.415 16.512 1.00 32.23 ATOM 1920 HB3 ALA 122 -1.135 -24.120 16.326 1.00 75.32 ATOM 1921 C ALA 122 -3.770 -23.903 17.078 1.00 34.32 ATOM 1922 O ALA 122 -4.469 -22.940 16.756 1.00 51.24 ATOM 1923 N ASP 123 -4.051 -25.152 16.706 1.00 11.21 ATOM 1924 HN ASP 123 -3.393 -25.858 16.883 1.00 39.96 ATOM 1925 CA ASP 123 -5.298 -25.496 16.016 1.00 61.32 ATOM 1926 HA ASP 123 -5.383 -24.855 15.148 1.00 62.25 ATOM 1927 CB ASP 123 -5.254 -26.961 15.558 1.00 31.15 ATOM 1928 HB1 ASP 123 -5.256 -27.604 16.427 1.00 39.96 ATOM 1929 HB2 ASP 123 -4.343 -27.128 15.000 1.00 50.01 ATOM 1930 CG ASP 123 -6.430 -27.337 14.673 1.00 62.44 ATOM 1931 OD1 ASP 123 -7.328 -28.073 15.135 1.00 50.02 ATOM 1932 OD2 ASP 123 -6.456 -26.903 13.501 1.00 51.22 ATOM 1933 C ASP 123 -6.510 -25.249 16.937 1.00 35.44 ATOM 1934 O ASP 123 -7.565 -24.790 16.492 1.00 60.21 ATOM 1935 N ILE 124 -6.337 -25.542 18.226 1.00 24.20 ATOM 1936 HN ILE 124 -5.491 -25.949 18.507 1.00 39.96 ATOM 1937 CA ILE 124 -7.369 -25.281 19.239 1.00 21.01 ATOM 1938 HA ILE 124 -8.315 -25.636 18.855 1.00 23.54 ATOM 1939 CB ILE 124 -7.059 -26.044 20.552 1.00 2.54 ATOM 1940 HB ILE 124 -6.121 -25.672 20.943 1.00 0.23 ATOM 1941 CG1 ILE 124 -6.924 -27.553 20.276 1.00 11.55 ATOM 1942 HG11 ILE 124 -6.146 -27.710 19.542 1.00 39.96 ATOM 1943 HG12 ILE 124 -7.858 -27.926 19.885 1.00 15.00 ATOM 1944 CG2 ILE 124 -8.145 -25.778 21.596 1.00 75.31 ATOM 1945 HG21 ILE 124 -7.920 -26.322 22.502 1.00 75.25 ATOM 1946 HG22 ILE 124 -9.102 -26.102 21.212 1.00 12.30 ATOM 1947 HG23 ILE 124 -8.186 -24.720 21.813 1.00 40.43 ATOM 1948 CD1 ILE 124 -6.577 -28.375 21.501 1.00 32.12 ATOM 1949 HD11 ILE 124 -7.349 -28.256 22.246 1.00 41.24 ATOM 1950 HD12 ILE 124 -5.633 -28.039 21.905 1.00 73.12 ATOM 1951 HD13 ILE 124 -6.499 -29.417 21.226 1.00 45.15 ATOM 1952 C ILE 124 -7.483 -23.775 19.542 1.00 64.32 ATOM 1953 O ILE 124 -8.576 -23.253 19.782 1.00 21.13 ATOM 1954 N GLY 125 -6.340 -23.087 19.540 1.00 2.34 ATOM 1955 HN GLY 125 -5.499 -23.568 19.389 1.00 39.96 ATOM 1956 CA GLY 125 -6.316 -21.644 19.766 1.00 43.23 ATOM 1957 HA1 GLY 125 -7.332 -21.270 19.791 1.00 39.96 ATOM 1958 HA2 GLY 125 -5.798 -21.177 18.941 1.00 10.23 ATOM 1959 C GLY 125 -5.618 -21.251 21.065 1.00 21.34 ATOM 1960 O GLY 125 -6.241 -21.223 22.128 1.00 34.22 ATOM 1961 N LEU 126 -4.323 -20.949 20.983 1.00 73.33 ATOM 1962 HN LEU 126 -3.870 -21.028 20.116 1.00 39.96 ATOM 1963 HA LEU 126 -4.012 -20.925 23.036 1.00 11.31 ATOM 1964 CB LEU 126 -2.101 -20.998 22.063 1.00 73.10 ATOM 1965 HB1 LEU 126 -1.561 -20.624 22.922 1.00 39.96 ATOM 1966 HB2 LEU 126 -1.654 -20.580 21.171 1.00 70.40 ATOM 1967 CG LEU 126 -1.930 -22.526 22.019 1.00 22.54 ATOM 1968 HG LEU 126 -2.447 -22.913 21.151 1.00 60.24 ATOM 1969 CD1 LEU 126 -0.452 -22.899 21.886 1.00 3.25 ATOM 1970 HD11 LEU 126 0.096 -22.521 22.737 1.00 15.51 ATOM 1971 HD12 LEU 126 -0.051 -22.467 20.980 1.00 43.31 ATOM 1972 HD13 LEU 126 -0.353 -23.974 21.843 1.00 64.43 ATOM 1973 CD2 LEU 126 -2.542 -23.173 23.262 1.00 61.32 ATOM 1974 HD21 LEU 126 -3.593 -22.928 23.318 1.00 43.11 ATOM 1975 HD22 LEU 126 -2.040 -22.806 24.147 1.00 31.54 ATOM 1976 HD23 LEU 126 -2.427 -24.246 23.204 1.00 75.23 ATOM 1977 CA LEU 126 -3.553 -20.498 22.154 1.00 60.40 ATOM 1978 C LEU 126 -3.577 -18.960 22.282 1.00 14.12 ATOM 1979 OT1 LEU 126 -2.724 -18.286 21.651 1.00 39.96 ATOM 1980 OT2 LEU 126 -4.444 -18.433 23.018 1.00 39.96 ATOM 1981 OH2 TIP3 1 -1.395 -42.812 15.512 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -0.433 -42.841 15.316 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -1.644 -41.869 15.348 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.316 -39.259 10.702 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -2.742 -39.197 11.485 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -2.822 -38.796 10.010 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.033 -42.058 13.883 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -6.686 -41.461 13.193 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.015 -42.943 13.462 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -9.957 -43.633 16.053 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.589 -44.460 15.678 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -10.660 -43.933 16.640 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 1.270 -42.528 15.203 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 1.313 -41.604 15.534 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 1.817 -43.035 15.832 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -5.306 -39.595 14.426 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -5.287 -40.352 15.029 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -4.608 -39.001 14.764 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -9.232 -46.259 15.368 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -9.364 -46.928 16.068 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -8.508 -46.629 14.817 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -9.728 -47.756 17.653 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -8.971 -47.473 18.175 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -10.114 -48.499 18.179 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -5.449 -40.548 11.885 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -5.433 -40.037 12.726 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -4.817 -40.069 11.303 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 1.181 -46.929 18.273 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 0.682 -46.691 19.081 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 1.526 -47.805 18.462 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -10.563 -35.335 16.687 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.073 -35.776 17.414 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -10.204 -34.426 16.671 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -6.587 -44.587 12.782 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.286 -45.241 12.661 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -5.945 -45.032 13.364 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -3.797 -43.555 14.525 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -3.833 -43.314 13.568 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -2.877 -43.330 14.794 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -13.816 -38.671 17.982 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -14.362 -39.436 17.788 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -13.462 -38.850 18.883 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -11.800 -46.089 16.825 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -11.543 -46.008 15.897 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -11.142 -46.711 17.200 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -4.328 -43.050 11.918 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -4.654 -42.134 11.795 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -5.124 -43.598 11.826 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -7.097 -47.352 14.027 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -6.254 -46.917 14.293 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -6.821 -48.200 13.669 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -4.764 -46.069 14.529 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -4.391 -45.158 14.553 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.081 -46.613 14.986 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 0.932 -37.897 13.758 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 1.072 -36.956 14.007 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 1.370 -37.976 12.890 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 1.126 -39.868 15.904 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 0.388 -39.622 16.504 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 1.055 -39.233 15.163 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 3.099 -40.721 17.646 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 2.453 -40.519 16.942 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 2.965 -40.008 18.299 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -2.134 -40.313 14.854 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -2.496 -39.541 15.334 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -1.974 -39.974 13.955 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -2.740 -47.006 16.110 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -2.467 -46.124 16.440 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -2.426 -47.616 16.788 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -8.870 -35.723 14.443 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -8.761 -36.678 14.600 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.569 -35.464 15.067 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -1.484 -38.679 12.745 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -1.842 -37.777 12.601 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -0.652 -38.525 13.249 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -3.099 -35.383 14.877 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.581 -35.106 14.072 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -3.593 -34.959 15.608 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -3.859 -45.775 23.986 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -3.187 -46.400 23.671 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -4.512 -45.735 23.260 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.014 -42.957 29.017 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -3.956 -42.898 28.056 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -4.828 -43.498 29.175 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -10.511 -40.555 30.357 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -9.657 -40.197 30.671 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -10.992 -40.759 31.166 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -6.649 -39.836 22.506 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -6.633 -38.876 22.458 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -5.914 -40.057 23.110 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -0.985 -41.972 35.422 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -0.359 -42.728 35.468 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -0.939 -41.575 36.313 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -5.615 -45.694 21.796 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -6.547 -45.927 21.871 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -5.248 -46.358 21.163 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -10.538 -49.487 19.559 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -11.128 -48.891 20.084 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -10.716 -50.361 19.912 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -6.019 -44.718 29.355 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -6.596 -45.382 28.970 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -6.009 -44.939 30.318 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -1.999 -43.807 23.631 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -2.771 -44.321 23.953 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -2.328 -43.371 22.822 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -3.418 -41.172 31.062 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -4.291 -40.989 31.468 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.611 -41.843 30.372 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -4.526 -47.538 20.146 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -3.662 -47.250 19.765 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -4.491 -48.497 20.106 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -11.680 -41.008 27.898 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -11.420 -41.926 27.795 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -11.282 -40.740 28.757 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -4.874 -37.068 17.569 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -5.025 -36.186 17.173 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -4.208 -36.901 18.274 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -4.565 -43.686 18.333 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.074 -44.461 18.069 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -4.878 -42.977 17.724 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -12.345 -45.187 21.943 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -12.722 -45.028 21.070 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -12.448 -44.330 22.408 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -2.193 -44.833 29.908 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -2.833 -44.154 29.614 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -2.591 -45.195 30.737 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -2.877 -40.779 33.927 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -2.068 -41.217 34.286 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -2.880 -41.019 32.982 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -2.957 -44.494 34.727 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -2.792 -45.083 35.493 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -2.416 -43.710 34.911 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -5.867 -45.510 31.914 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -6.118 -45.490 32.859 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -4.912 -45.721 31.929 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -12.917 -42.656 22.985 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -13.535 -42.565 23.715 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -12.555 -41.752 22.863 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -12.159 -40.000 22.982 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -11.384 -39.414 22.814 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -12.343 -39.879 23.942 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.674 -45.307 34.681 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -4.818 -44.836 34.717 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -6.262 -44.785 35.275 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -2.887 -38.112 34.520 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -3.466 -37.791 33.801 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -2.846 -39.082 34.380 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -3.846 -43.641 21.120 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.497 -44.306 21.414 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -3.965 -43.602 20.155 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -10.405 -38.925 18.960 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -11.236 -39.082 19.451 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -10.295 -37.955 18.981 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -12.768 -38.930 20.494 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -12.611 -38.011 20.791 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -12.682 -39.464 21.315 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -10.335 -38.075 22.308 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -10.868 -37.384 21.868 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -9.424 -37.781 22.193 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -4.221 -41.285 36.257 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -3.701 -41.116 35.442 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -3.748 -40.766 36.956 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -12.195 -47.825 20.901 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -12.693 -47.336 20.214 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -12.109 -47.181 21.627 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -3.162 -45.807 32.236 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -3.045 -45.309 33.073 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -2.874 -46.725 32.463 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -13.417 -46.191 19.058 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -12.865 -46.068 18.254 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -14.314 -46.238 18.723 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.198 -44.645 17.388 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -1.769 -43.964 16.822 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -3.005 -44.201 17.724 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -11.930 -36.303 20.883 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -12.323 -36.220 19.982 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -11.474 -35.445 21.021 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -2.747 -43.150 37.691 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -2.149 -42.433 37.985 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.466 -42.682 37.228 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 0.001 -46.600 20.761 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 0.856 -46.207 21.059 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -0.525 -46.668 21.587 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -1.003 -46.413 23.328 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -1.225 -45.472 23.463 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -0.180 -46.542 23.843 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 0.499 -44.488 30.309 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 0.747 -44.412 29.369 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.477 -44.541 30.293 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -2.125 -46.890 19.026 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -1.370 -46.868 19.651 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -2.050 -46.046 18.534 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -4.084 -47.525 35.348 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -3.635 -47.048 36.074 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -4.800 -46.920 35.072 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -9.282 -41.917 34.825 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -9.194 -42.778 35.252 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -8.362 -41.618 34.702 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -6.643 -41.087 35.128 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -7.101 -40.497 35.769 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.735 -41.184 35.504 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -7.465 -36.398 32.381 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -6.810 -36.383 31.654 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -6.992 -35.981 33.140 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -4.205 -37.977 32.137 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -4.795 -38.761 32.207 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -4.676 -37.376 31.521 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -3.593 -42.192 45.829 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -4.144 -42.004 46.594 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -3.563 -41.339 45.337 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -5.762 -38.650 44.346 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -6.142 -38.976 43.516 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -4.913 -39.129 44.425 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -3.491 -39.226 40.598 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -3.311 -39.553 39.688 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -3.532 -40.045 41.141 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -7.781 -41.468 41.244 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -7.718 -40.562 41.627 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -8.714 -41.690 41.317 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -7.898 -38.985 42.401 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -8.463 -38.734 43.143 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -7.590 -38.125 42.034 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -4.192 -36.703 39.567 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.973 -37.508 40.070 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -4.061 -36.962 38.633 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -2.425 -46.605 39.853 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.699 -47.461 40.194 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -2.821 -45.959 40.488 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -3.570 -44.696 44.518 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -2.873 -45.096 45.070 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -3.685 -43.803 44.891 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -3.764 -45.171 41.792 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -4.407 -44.482 41.546 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -3.662 -45.067 42.765 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -3.389 -41.501 42.123 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -4.074 -42.140 41.829 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -2.542 -41.882 41.779 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -7.045 -42.057 38.618 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -7.327 -41.830 39.525 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -7.190 -41.231 38.110 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -7.098 -43.585 36.255 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -6.872 -42.754 35.800 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -7.090 -43.346 37.203 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -5.442 -42.966 41.045 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -6.268 -42.520 41.325 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -5.492 -42.966 40.076 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -2.839 -45.841 37.182 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -2.807 -44.886 37.423 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -2.687 -46.301 38.032 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 2.526 -39.239 49.030 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 1.667 -39.528 49.353 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 3.029 -40.065 48.910 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -1.186 -42.268 40.768 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -0.519 -42.963 40.724 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -1.110 -41.808 39.908 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -0.931 -42.871 45.731 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -1.810 -42.448 45.695 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -1.129 -43.810 45.908 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 0.169 -46.090 38.843 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -0.719 -46.252 39.220 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 0.296 -45.127 38.934 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -5.536 -34.352 52.426 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.826 -35.172 52.829 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -5.471 -34.553 51.492 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.665 -39.696 37.271 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.238 -38.846 37.031 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -8.554 -39.431 37.609 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -6.756 -27.232 9.318 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -7.177 -26.358 9.269 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -7.222 -27.677 10.054 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -8.542 -25.323 10.436 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -8.607 -26.208 10.863 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -9.450 -25.002 10.417 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -4.210 -24.509 12.162 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -5.178 -24.377 12.187 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -3.866 -23.849 12.788 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -4.881 -20.667 5.403 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -5.720 -21.122 5.302 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -4.753 -20.206 4.545 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -8.178 -27.750 11.612 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -8.858 -28.197 12.156 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.495 -27.471 12.271 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -4.487 -34.521 12.700 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -5.403 -34.551 13.050 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -4.545 -33.901 11.947 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -5.443 -32.609 10.957 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -5.703 -31.702 10.695 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -6.207 -32.938 11.466 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -5.184 -31.487 16.021 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -5.541 -31.142 15.175 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -5.069 -32.434 15.861 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -6.950 -24.449 12.511 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -6.716 -25.348 12.857 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -7.420 -24.631 11.670 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -9.633 -28.648 13.719 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -10.404 -28.103 13.983 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -8.907 -28.342 14.316 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -13.510 -28.714 13.066 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -14.285 -28.146 13.036 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -12.804 -28.137 13.428 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -2.962 -26.742 11.172 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -3.364 -25.898 11.491 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -3.424 -27.434 11.687 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -2.069 -36.091 12.014 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -1.525 -35.381 12.389 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -2.985 -35.777 12.136 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -4.784 -19.543 2.897 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -4.309 -19.939 2.161 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -5.047 -18.676 2.574 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -2.190 -30.223 11.811 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -2.906 -29.633 12.121 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -2.055 -29.962 10.877 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -6.428 -30.380 13.797 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -7.244 -30.808 13.471 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -6.751 -29.572 14.255 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -11.692 -24.082 13.941 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -10.729 -24.273 13.996 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -11.783 -23.210 14.362 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -8.931 -31.206 12.924 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -9.270 -30.330 13.222 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -8.830 -31.105 11.947 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -11.805 -26.891 14.253 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -11.807 -25.975 13.904 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -11.987 -26.777 15.211 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -14.130 -31.213 13.851 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -13.832 -30.340 13.501 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -14.935 -30.996 14.372 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -10.457 -23.933 17.032 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -10.806 -23.194 16.491 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -9.575 -24.100 16.665 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -7.519 -34.351 17.113 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -7.806 -34.412 18.038 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -8.206 -33.800 16.684 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -5.075 -32.867 19.030 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -5.356 -31.971 18.730 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -4.354 -32.693 19.645 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -11.580 -31.997 14.547 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -12.495 -31.848 14.217 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -11.013 -31.701 13.819 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -9.083 -24.698 14.269 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -8.392 -24.441 13.627 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -8.606 -25.220 14.934 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -3.715 -31.926 8.875 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -3.516 -32.669 8.294 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -4.148 -32.338 9.653 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -12.103 -26.129 16.882 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -11.461 -25.386 16.895 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -12.730 -25.909 17.583 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -8.367 -30.862 10.291 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -8.856 -30.825 9.464 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -7.473 -30.531 10.055 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -7.220 -33.860 13.134 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -7.826 -33.103 13.184 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -7.727 -34.599 13.546 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.678 -28.406 17.610 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.695 -28.133 18.548 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -11.225 -27.737 17.163 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -12.585 -19.258 16.107 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -11.812 -18.673 16.281 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -13.284 -18.897 16.672 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -4.882 -34.412 16.743 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -4.748 -33.865 17.547 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -5.866 -34.450 16.646 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -8.774 -30.005 16.558 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -9.525 -29.458 16.894 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -8.182 -29.351 16.123 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -3.334 -37.995 15.549 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -3.832 -37.745 16.352 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -3.043 -37.134 15.173 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -4.132 -27.849 8.908 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -3.692 -27.350 9.626 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -5.037 -27.475 8.877 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -0.250 -23.618 10.965 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -0.749 -23.232 11.727 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -0.745 -23.327 10.190 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -12.293 -21.190 18.254 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -11.361 -21.137 18.554 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -12.243 -21.024 17.295 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -16.300 -32.557 12.743 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -16.191 -32.755 11.812 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -15.421 -32.240 13.028 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -15.707 -32.442 16.935 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -15.882 -33.243 17.434 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -14.750 -32.283 17.060 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -5.734 -30.311 18.367 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -5.271 -29.449 18.422 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -5.609 -30.590 17.426 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -9.606 -32.732 16.298 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -9.215 -31.840 16.413 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.297 -32.598 15.611 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -12.914 -32.036 17.130 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -12.318 -32.776 17.296 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -12.620 -31.682 16.270 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -8.224 -31.234 18.932 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -7.323 -30.849 18.973 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -8.588 -30.880 18.091 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -8.939 -41.038 15.613 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -8.284 -41.312 14.939 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -9.416 -41.866 15.828 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -9.356 -38.308 15.741 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -9.115 -39.259 15.649 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -10.313 -38.317 15.837 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 0.441 -19.546 11.094 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 0.225 -20.458 11.318 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -0.034 -19.390 10.244 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -2.114 -29.685 9.075 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -2.772 -28.987 8.849 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -2.587 -30.524 8.895 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -0.290 -26.371 10.460 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -1.222 -26.620 10.659 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -0.243 -25.423 10.699 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -5.807 -30.183 9.562 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -5.653 -29.225 9.460 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -5.055 -30.594 9.092 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -4.511 -28.683 12.450 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -5.076 -27.928 12.721 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -4.999 -29.466 12.770 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -11.221 -21.622 15.500 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -10.354 -21.185 15.638 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -11.849 -20.874 15.408 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -6.893 -22.084 16.195 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -7.247 -22.974 16.033 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -5.979 -22.242 16.500 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -4.017 -22.363 14.072 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -4.085 -22.487 15.037 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -4.813 -21.865 13.842 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -5.481 -42.258 16.198 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -4.849 -42.716 15.598 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -6.293 -42.171 15.661 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -10.315 -17.995 16.904 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.694 -18.709 16.657 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.028 -17.726 17.799 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -3.211 -20.518 7.592 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -3.671 -20.560 6.724 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -3.889 -20.758 8.227 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -1.537 -22.265 12.921 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -2.408 -22.230 13.372 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -0.907 -21.915 13.585 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.295 -34.108 20.654 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -9.326 -34.012 20.641 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.624 -33.184 20.706 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -10.118 -27.894 26.740 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.200 -28.227 27.655 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.742 -27.140 26.705 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -8.036 -18.994 26.785 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.153 -19.123 26.375 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -7.982 -19.485 27.631 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -6.373 -26.808 27.483 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -6.721 -26.959 26.595 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -5.398 -26.906 27.380 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -11.811 -25.798 26.273 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -12.699 -26.072 26.014 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -11.512 -25.225 25.531 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -10.211 -27.480 31.871 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -9.591 -26.753 31.651 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -10.537 -27.785 31.008 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.285 -39.352 31.659 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -8.439 -39.245 32.623 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -8.237 -38.444 31.328 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -10.292 -28.959 21.807 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -10.481 -28.234 21.178 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -10.089 -28.496 22.650 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.879 -24.357 27.637 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -10.084 -23.546 27.117 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.573 -24.988 27.369 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -7.484 -24.691 28.871 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -7.058 -25.336 28.272 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -8.354 -24.501 28.441 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -7.641 -27.995 29.643 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -7.224 -27.588 28.851 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -7.757 -27.242 30.266 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -13.582 -28.305 20.778 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -14.540 -28.263 20.705 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -13.352 -29.199 20.415 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -8.134 -25.809 31.262 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -7.910 -25.233 32.026 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -7.926 -25.258 30.476 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -5.758 -40.289 32.423 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -6.646 -40.114 32.047 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -5.944 -40.660 33.308 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -9.492 -36.300 19.047 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -10.004 -35.645 19.563 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.720 -36.505 19.622 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -7.575 -33.731 19.936 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -6.630 -33.651 19.694 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -7.954 -32.857 19.688 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.700 -36.176 18.289 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -12.139 -35.957 17.520 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -13.185 -36.985 18.012 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -10.607 -34.032 34.387 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -10.448 -34.212 33.444 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -9.732 -33.791 34.734 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -13.032 -30.712 19.638 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -13.115 -31.105 18.748 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -12.141 -30.991 19.942 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -3.099 -21.021 36.613 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -3.175 -21.909 36.191 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -3.372 -20.409 35.920 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -10.227 -28.766 29.370 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -10.298 -29.709 29.549 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -9.272 -28.566 29.496 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -6.054 -33.912 28.128 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -6.539 -33.117 27.888 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -5.770 -33.750 29.052 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -8.393 -28.246 33.745 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -9.057 -28.010 33.062 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -8.921 -28.656 34.458 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.741 -27.043 23.094 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -11.992 -27.592 23.385 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -13.099 -27.519 22.318 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.189 -24.911 23.756 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -11.874 -25.518 23.396 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -11.001 -24.299 23.016 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.823 -21.831 31.526 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.329 -21.292 32.160 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -7.996 -22.667 32.010 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -11.502 -18.662 22.947 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -11.876 -18.116 22.216 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -11.730 -18.164 23.760 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -3.022 -22.050 31.894 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -2.280 -21.457 32.123 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -3.420 -21.636 31.100 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -16.631 -30.822 14.928 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -16.478 -31.375 15.725 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -16.931 -31.454 14.252 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -10.098 -27.478 24.061 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -9.975 -27.741 25.001 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -10.213 -26.509 24.097 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -5.398 -33.596 30.770 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -5.789 -33.070 31.494 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -4.435 -33.361 30.791 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.602 -23.232 21.643 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -9.738 -23.114 21.213 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.653 -22.490 22.293 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -14.142 -22.592 19.639 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -13.531 -22.050 19.091 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -13.637 -23.394 19.827 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -6.477 -24.108 38.265 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -5.817 -23.377 38.360 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -6.730 -24.313 39.171 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -11.243 -27.108 20.000 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -11.402 -26.151 19.861 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -12.127 -27.467 20.235 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -9.948 -26.414 36.316 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -10.770 -26.279 35.837 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -9.804 -27.381 36.276 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -11.793 -24.448 19.502 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -11.277 -24.092 18.751 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -11.424 -23.986 20.288 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -6.884 -32.102 32.673 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -6.267 -31.581 33.214 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -7.048 -31.532 31.889 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -10.499 -31.340 20.482 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -9.695 -31.245 19.929 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -10.462 -30.562 21.090 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -6.692 -26.938 35.376 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -7.204 -27.364 34.649 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -7.185 -26.112 35.560 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -9.339 -34.354 31.943 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -8.801 -35.160 32.048 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -8.692 -33.645 31.870 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -5.537 -36.259 30.409 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -5.645 -36.309 29.450 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -5.416 -35.295 30.586 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -6.549 -30.196 30.798 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.963 -29.448 30.317 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -6.099 -29.775 31.551 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -8.337 -38.316 34.187 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -8.217 -37.514 33.639 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.726 -38.182 34.943 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -9.868 -29.204 35.896 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -9.303 -29.869 36.349 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -10.711 -29.655 35.779 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -10.527 -39.536 35.317 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -10.267 -40.454 35.091 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -9.867 -38.983 34.855 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -10.176 -38.920 37.924 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -10.455 -39.196 37.018 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -10.749 -38.176 38.129 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.288 -16.499 22.601 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.629 -17.236 22.643 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -7.024 -16.812 23.140 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 1.006 -28.352 37.675 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 0.488 -28.759 36.941 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 1.721 -28.996 37.844 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -7.556 -23.983 33.274 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -7.786 -24.206 34.203 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -6.710 -23.486 33.351 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -5.324 -22.405 33.444 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -4.804 -22.664 34.232 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -4.650 -22.293 32.744 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -5.839 -22.665 29.793 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -6.554 -22.392 30.396 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -6.222 -23.418 29.299 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -4.221 -20.512 29.941 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -4.725 -21.350 29.785 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -4.742 -19.831 29.470 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -8.009 -20.096 23.632 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -7.577 -19.808 24.456 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -7.298 -20.577 23.146 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -10.693 -22.318 26.029 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -10.814 -21.395 26.343 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -10.762 -22.247 25.059 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -12.435 -39.589 25.673 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -12.302 -38.711 26.039 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -12.222 -40.193 26.418 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -7.539 -36.380 21.000 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -6.748 -36.577 21.543 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.490 -35.418 20.850 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -15.624 -20.330 20.061 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -16.363 -20.544 20.631 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -15.147 -21.183 19.953 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -3.889 -37.791 37.054 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -3.484 -38.595 37.450 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -3.441 -37.704 36.183 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -0.997 -20.134 32.083 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -0.733 -19.389 32.663 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -1.312 -19.695 31.262 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -5.017 -34.368 42.532 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -4.081 -34.125 42.666 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -5.413 -34.300 43.429 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -2.159 -34.076 42.974 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -1.735 -34.702 42.349 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -2.460 -34.645 43.714 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -8.041 -33.163 34.993 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.174 -32.483 35.690 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -7.747 -32.653 34.213 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -6.525 -29.642 35.645 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -6.232 -29.690 34.718 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -6.509 -28.687 35.850 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -1.935 -24.193 33.260 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -2.312 -23.593 32.582 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -1.675 -24.991 32.760 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -1.784 -27.565 35.368 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -1.307 -27.067 34.696 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -1.242 -28.382 35.497 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -6.466 -37.541 36.065 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -6.446 -36.665 35.620 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.581 -37.614 36.486 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -6.341 -35.242 34.587 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -7.014 -34.568 34.839 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -5.492 -34.743 34.600 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -8.256 -35.285 39.715 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -8.674 -35.141 38.862 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -7.366 -34.886 39.617 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -6.098 -32.295 38.270 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -5.910 -33.076 38.836 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -5.230 -31.911 38.104 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -2.490 -24.378 38.651 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -2.711 -25.020 37.958 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -1.889 -24.857 39.230 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -4.709 -25.597 36.716 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -5.283 -26.169 36.158 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -5.343 -25.076 37.253 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 1.112 -19.159 35.798 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 0.456 -19.492 36.450 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 0.621 -18.483 35.290 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -2.742 -27.132 37.847 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -3.606 -26.731 37.624 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -2.349 -27.342 36.970 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -7.135 -36.375 41.949 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -7.642 -36.052 41.166 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -6.345 -35.802 41.972 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -3.551 -23.419 35.330 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -3.860 -24.221 35.800 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -2.894 -23.760 34.679 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -7.947 -24.602 35.952 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -7.557 -24.315 36.805 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.740 -25.125 36.213 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -8.220 -31.220 36.930 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -7.570 -30.622 36.489 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -7.685 -31.681 37.614 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.183 -28.999 39.212 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -0.356 -28.662 38.815 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.864 -28.351 38.929 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 4.645 -28.529 39.224 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 4.702 -28.925 40.105 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 4.148 -29.190 38.696 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -1.679 -31.264 37.666 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -1.677 -30.436 38.177 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -1.222 -31.028 36.833 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -0.472 -31.597 40.185 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -1.045 -31.945 39.474 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -0.639 -30.634 40.170 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -5.628 -34.447 39.894 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -5.393 -34.243 40.827 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -5.076 -35.240 39.679 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -0.685 -36.077 41.815 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -0.132 -36.005 41.004 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -0.035 -36.183 42.540 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -6.232 -34.471 44.993 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -6.723 -33.852 45.538 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -6.795 -35.279 44.980 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -3.109 -35.977 44.671 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.039 -35.988 44.930 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -3.015 -36.755 44.076 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -7.649 -36.744 44.611 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -6.996 -37.464 44.749 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -7.599 -36.561 43.649 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 1.609 -2.230 -4.041 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 1.197 -3.030 -3.701 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 1.703 -2.397 -5.002 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 0.318 2.831 -1.729 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 1.126 2.624 -1.205 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -0.232 2.028 -1.642 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 2.450 -0.416 -7.336 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 1.730 0.215 -7.091 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 2.086 -1.294 -7.109 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 1.099 3.288 -8.591 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 1.875 3.887 -8.533 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 0.431 3.810 -9.041 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -0.611 0.211 -1.414 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -0.491 -0.279 -0.589 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -1.404 -0.175 -1.807 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 0.569 -21.431 14.483 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 1.378 -21.470 13.928 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 0.805 -21.928 15.278 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 3.999 -2.188 -1.912 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 3.199 -2.631 -1.544 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 4.046 -2.509 -2.836 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -8.961 -20.373 16.507 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.139 -20.878 16.313 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -9.155 -20.584 17.446 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 1.921 -3.304 -0.545 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 1.985 -2.696 0.223 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 1.954 -4.182 -0.153 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 0.236 -18.759 13.857 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 0.170 -18.791 12.886 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 0.202 -19.697 14.130 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -4.409 -15.056 20.156 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.303 -15.344 20.382 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -4.023 -15.825 19.672 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -9.417 -17.468 19.479 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -9.398 -18.224 20.109 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -8.660 -16.931 19.733 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -3.151 -17.234 19.174 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -2.970 -17.556 20.090 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -2.274 -16.931 18.845 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -9.706 -21.006 19.083 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -9.653 -20.438 19.885 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -9.283 -21.848 19.357 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -13.573 -18.861 18.953 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -14.419 -19.171 19.345 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -13.096 -19.686 18.738 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -2.831 -19.960 18.657 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -3.210 -19.062 18.625 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -1.898 -19.813 18.869 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 1.951 -17.798 15.739 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 1.533 -17.205 16.381 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 1.219 -18.042 15.122 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 3.604 -20.008 15.279 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 4.060 -20.310 16.092 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 3.004 -19.296 15.589 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -0.715 -18.540 27.768 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 0.036 -17.957 28.023 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -1.177 -18.717 28.620 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -1.475 -13.181 30.737 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -2.194 -12.543 30.532 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -0.678 -12.642 30.744 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -5.730 -19.337 25.268 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -4.919 -19.519 25.777 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -5.397 -19.080 24.378 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 2.355 -16.911 32.344 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 2.476 -17.037 31.396 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 3.204 -16.525 32.644 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -5.080 -18.472 28.353 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.424 -18.879 27.748 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -5.161 -17.551 28.023 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -2.128 -18.724 30.067 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.458 -17.831 30.280 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -2.933 -19.290 30.078 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -8.571 -20.422 29.209 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -9.401 -20.783 28.869 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -8.365 -20.986 29.985 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -2.111 -13.541 20.241 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -2.360 -12.638 20.027 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -2.947 -14.048 20.156 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -12.013 -17.331 20.621 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -11.234 -17.167 20.064 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -12.657 -17.759 20.012 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -7.968 -12.616 25.117 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -8.777 -12.436 24.633 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -8.231 -13.282 25.786 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -4.941 -15.989 27.187 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -5.133 -15.053 26.966 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -4.454 -16.320 26.404 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -9.426 -19.444 21.346 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -8.814 -19.676 22.077 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -10.251 -19.169 21.807 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -7.960 -14.558 27.033 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -7.072 -14.268 26.745 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -7.834 -14.797 27.978 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -6.754 -15.465 29.298 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -7.022 -16.313 29.709 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -5.995 -15.700 28.738 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -4.158 -14.780 22.992 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -5.032 -15.227 23.001 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -3.924 -14.745 22.047 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -5.536 -13.499 26.140 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -6.183 -12.950 25.647 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -4.670 -13.250 25.758 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 2.656 -13.885 19.841 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 1.817 -14.315 20.113 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 2.939 -13.397 20.639 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -9.301 -16.696 25.965 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -8.861 -15.904 26.342 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -8.760 -17.448 26.287 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -10.540 -21.227 23.465 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -11.099 -20.426 23.359 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -9.654 -20.871 23.687 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 0.120 -17.991 33.460 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 0.932 -17.582 33.072 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -0.531 -17.257 33.475 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 0.199 -14.883 20.689 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -0.003 -15.246 21.563 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.587 -14.324 20.475 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -2.977 -13.245 24.913 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -3.394 -13.701 24.148 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -2.134 -13.733 25.050 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -0.495 -18.859 20.066 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 0.216 -18.559 20.676 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -1.313 -18.800 20.610 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -3.582 -16.734 24.880 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -3.899 -17.384 24.202 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -3.543 -15.889 24.392 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -1.466 -10.968 24.528 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -2.038 -10.199 24.460 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -2.078 -11.707 24.729 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -3.335 -11.266 30.091 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -3.689 -10.397 30.307 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -4.006 -11.660 29.519 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -0.714 -20.083 37.596 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -1.573 -20.453 37.285 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -0.610 -20.454 38.505 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -1.617 -16.903 35.867 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -2.484 -17.205 36.215 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -1.812 -16.615 34.954 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 1.319 -17.971 21.875 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 0.626 -17.528 22.404 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 2.093 -17.368 21.944 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -7.233 -18.107 29.973 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -7.852 -18.841 29.796 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -6.445 -18.325 29.440 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -3.152 -18.925 26.471 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -3.157 -18.117 25.912 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -2.294 -18.886 26.939 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -0.221 -18.700 25.080 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -0.377 -18.678 26.052 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -0.385 -19.618 24.834 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -10.783 -19.667 26.602 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -11.296 -18.946 26.193 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -9.866 -19.333 26.609 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -11.832 -17.321 25.374 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -10.893 -17.043 25.525 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -12.352 -16.605 25.751 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -4.399 -22.422 38.634 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -3.671 -23.073 38.755 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -4.009 -21.739 38.057 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -3.863 -17.724 37.218 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -3.525 -17.344 38.060 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -4.497 -18.390 37.499 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -2.616 -16.881 39.490 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -2.544 -17.140 40.412 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -1.713 -17.012 39.131 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 1.137 8.518 -10.392 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 0.323 8.132 -10.735 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 1.291 9.287 -10.954 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 3.427 7.396 -5.203 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 2.785 8.059 -5.508 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 3.386 7.455 -4.227 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 0.378 7.444 -3.611 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 1.327 7.443 -3.356 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -0.011 6.723 -3.070 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 0.076 5.522 -1.697 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 0.931 5.660 -1.237 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -0.041 4.549 -1.689 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 2.540 5.762 -0.514 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 3.296 5.147 -0.432 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 2.548 6.262 0.327 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 4.924 -0.585 0.067 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 4.583 -1.401 -0.350 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 5.286 -0.886 0.918 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 1.933 -0.024 -2.521 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 0.992 0.153 -2.328 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 1.911 -0.822 -3.103 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 0.755 1.520 -6.512 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 0.736 2.106 -5.734 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 0.816 2.135 -7.275 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 2.367 -1.770 1.693 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 2.542 -0.814 1.846 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 1.817 -2.039 2.467 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -1.056 10.169 1.643 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -1.414 10.541 0.799 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -1.706 10.424 2.307 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -2.016 10.929 -0.754 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -2.646 11.333 -1.357 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.310 10.580 -1.340 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 0.018 9.615 -2.020 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -0.016 8.911 -2.702 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 0.175 9.125 -1.183 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 0.026 8.031 0.211 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -0.562 7.278 0.056 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -0.483 8.618 0.810 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 0.787 3.408 -4.394 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 0.211 4.172 -4.514 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.656 3.153 -3.454 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 2.365 1.650 -0.418 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 2.243 0.851 -0.965 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 2.435 1.309 0.497 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 2.204 -39.274 9.063 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 1.592 -39.433 9.823 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 2.181 -40.101 8.567 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 11.955 -38.980 9.226 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 11.147 -38.744 8.742 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 11.754 -38.743 10.158 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 8.045 -41.920 13.153 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 7.924 -42.163 14.087 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 7.502 -41.108 13.041 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 15.725 -40.932 10.735 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 15.278 -40.247 10.195 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 16.579 -41.066 10.288 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 12.739 -41.489 14.527 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 13.501 -41.124 14.022 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 11.955 -41.068 14.116 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 10.354 -40.348 13.507 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 9.819 -39.828 14.127 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 9.752 -41.064 13.220 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 15.204 -37.885 13.647 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 15.718 -37.262 14.188 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 14.297 -37.506 13.640 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 8.382 -43.420 16.279 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 9.035 -44.046 16.661 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 7.562 -43.932 16.229 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 7.514 -39.748 15.251 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 6.997 -39.832 14.432 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 6.928 -40.129 15.946 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 0.534 -39.814 11.115 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 1.089 -40.454 11.633 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -0.317 -39.808 11.584 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 9.333 -41.714 18.197 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 9.083 -40.772 18.090 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 9.041 -42.140 17.358 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 5.075 -35.410 10.100 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 4.926 -36.334 9.810 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 4.850 -35.423 11.061 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 4.147 -43.021 12.490 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 4.406 -43.588 13.227 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 4.937 -43.003 11.910 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 4.926 -44.560 16.048 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 3.970 -44.670 16.213 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 5.336 -44.689 16.925 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 16.183 -43.783 12.919 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 16.881 -43.305 12.418 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 15.356 -43.419 12.576 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 11.406 -42.382 19.790 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 10.574 -42.212 19.291 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 11.349 -43.321 20.036 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 17.439 -46.101 13.787 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 16.827 -45.467 13.367 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 18.326 -45.732 13.605 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 8.209 -37.304 14.249 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 7.434 -37.106 13.681 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 7.980 -38.155 14.678 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 5.297 -37.475 6.638 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 5.005 -37.607 5.732 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 6.271 -37.336 6.559 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 11.297 -38.307 11.808 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 11.875 -37.876 12.472 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 10.899 -39.058 12.292 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 1.879 -41.528 12.665 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 2.720 -42.004 12.479 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 1.575 -41.912 13.511 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 17.441 -38.607 9.051 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 16.479 -38.590 9.227 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 17.580 -37.879 8.415 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 2.152 -45.011 16.540 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 1.555 -45.195 15.806 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 1.852 -45.623 17.251 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 6.803 -42.053 19.264 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 6.561 -41.281 19.834 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 7.749 -41.905 19.048 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 13.787 -43.242 16.330 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 13.376 -42.684 15.627 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 13.588 -44.145 16.060 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 14.612 -43.538 20.614 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 14.517 -42.610 20.945 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 14.909 -44.043 21.405 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 10.165 -44.993 17.812 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 9.584 -45.451 18.426 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 11.034 -44.994 18.258 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 4.615 -37.968 9.198 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 3.813 -38.530 9.153 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 4.835 -37.788 8.251 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 17.718 -36.663 7.125 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 18.297 -36.751 6.364 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 18.214 -36.061 7.739 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 18.360 -42.389 12.009 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 18.210 -41.660 12.646 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 18.445 -41.935 11.141 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 15.008 -40.516 13.294 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 15.062 -39.531 13.375 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 15.223 -40.690 12.345 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 19.777 -49.550 15.309 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 20.582 -49.202 14.913 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 19.102 -49.415 14.635 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 5.748 -40.786 17.075 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 4.770 -40.897 17.126 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 6.094 -41.438 17.714 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 6.765 -39.544 12.511 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 7.033 -39.564 11.574 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 6.385 -38.641 12.626 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 10.478 -36.499 15.359 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 10.120 -36.261 16.220 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 9.682 -36.744 14.826 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 12.671 -36.884 13.756 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 12.782 -36.028 13.282 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 11.897 -36.733 14.346 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 2.138 -36.904 11.303 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 2.868 -36.454 11.789 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 2.593 -37.513 10.704 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 7.281 -38.467 9.898 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.330 -38.370 9.681 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 7.533 -37.591 10.262 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 6.538 -43.003 11.110 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 7.133 -43.470 10.520 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 7.120 -42.664 11.822 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 8.193 -46.335 29.035 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 8.435 -47.271 28.929 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 8.400 -45.936 28.172 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 1.492 -46.259 24.745 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 2.389 -46.371 25.123 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 1.369 -45.296 24.703 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 0.549 -43.629 24.570 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 -0.413 -43.586 24.347 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 0.995 -43.338 23.741 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 8.272 -49.226 29.018 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 8.478 -50.147 29.303 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 8.677 -49.155 28.121 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 6.833 -47.398 25.726 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 6.377 -47.723 26.534 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 7.675 -47.897 25.713 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 7.138 -42.843 33.390 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 6.900 -41.923 33.533 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 6.326 -43.338 33.621 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 1.990 -42.723 22.404 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 2.688 -42.252 22.909 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 2.002 -42.305 21.535 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 10.257 -46.055 26.098 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 10.944 -45.459 25.739 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 9.517 -45.463 26.316 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 12.357 -45.051 19.673 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 12.556 -45.867 20.165 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 13.130 -44.479 19.851 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 19.863 -46.963 30.397 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 19.739 -46.266 29.710 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 20.511 -46.567 31.018 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 11.034 -48.601 32.778 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 11.920 -48.207 32.598 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 11.066 -48.841 33.730 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 4.253 -46.109 25.346 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 4.397 -45.378 24.702 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 5.060 -46.653 25.273 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 6.425 -44.773 30.435 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 5.662 -44.673 29.843 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 7.038 -45.362 29.936 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 5.305 -45.401 27.771 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 4.729 -45.486 26.983 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 5.489 -46.327 28.029 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 13.978 -46.615 21.471 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 14.436 -45.957 22.033 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 14.703 -47.176 21.129 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 1.891 -45.895 32.141 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 1.399 -45.317 31.516 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 2.169 -45.286 32.854 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 4.570 -44.178 23.472 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 4.451 -43.257 23.763 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 5.167 -44.106 22.692 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 2.318 -43.840 33.905 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.466 -42.873 33.770 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 1.652 -43.882 34.622 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 13.259 -46.944 32.540 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 14.223 -46.876 32.396 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 13.148 -46.749 33.494 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 3.037 -41.258 33.942 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 2.866 -40.302 33.770 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 3.563 -41.264 34.762 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 10.176 -51.248 32.625 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 10.594 -51.567 33.436 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 10.556 -50.356 32.497 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 16.453 -47.734 20.742 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 16.246 -48.206 19.903 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 17.250 -47.211 20.527 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 1.761 -47.590 29.980 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 1.002 -47.178 29.525 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 1.854 -47.071 30.811 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 10.845 -49.635 24.523 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 11.549 -50.280 24.429 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 11.173 -48.850 24.026 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 10.479 -47.014 36.509 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 9.773 -47.267 35.870 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 10.587 -47.808 37.074 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 9.256 -48.562 26.508 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 9.713 -49.124 25.842 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 9.715 -47.691 26.434 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 -0.560 -46.680 28.665 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 -1.092 -47.451 28.447 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 -1.170 -46.102 29.178 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 4.453 -41.783 36.244 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 3.814 -42.056 36.925 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 4.707 -40.871 36.510 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 5.829 -48.139 28.165 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 6.591 -48.541 28.628 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 5.042 -48.564 28.586 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 3.722 -49.352 29.382 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 3.057 -48.637 29.537 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 3.276 -50.151 29.667 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 8.973 -43.201 24.803 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 9.905 -43.502 24.779 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 8.552 -43.773 25.473 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 19.951 -44.917 28.673 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 19.192 -44.616 28.118 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 20.734 -44.765 28.106 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 12.014 -47.517 23.204 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 12.698 -47.277 22.544 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 11.957 -46.743 23.777 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 2.654 -42.918 26.235 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 2.518 -43.415 27.056 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 1.855 -43.110 25.708 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 -2.417 -48.189 33.278 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 -1.582 -48.391 33.705 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 -3.062 -48.135 34.019 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 7.151 -45.365 35.368 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 6.245 -45.049 35.158 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 7.694 -44.569 35.316 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 16.269 -48.786 18.291 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 16.241 -48.182 17.525 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 17.153 -49.185 18.242 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 11.725 -43.526 27.565 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 11.598 -43.626 26.599 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 12.307 -44.269 27.799 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 7.633 -41.731 23.023 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 8.015 -42.324 23.717 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 8.293 -41.010 22.945 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 7.778 -44.965 26.569 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 6.985 -44.727 27.096 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 7.484 -45.741 26.041 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 2.235 -45.469 21.858 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 2.766 -45.785 22.601 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 2.195 -44.502 21.988 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 8.949 -51.617 30.183 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 9.343 -51.484 31.072 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 9.031 -52.563 30.029 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 8.293 -48.770 31.795 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 8.239 -48.875 30.822 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 9.249 -48.776 31.982 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 13.496 -45.615 26.770 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 13.417 -44.990 26.023 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 14.049 -46.345 26.414 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 0.645 -44.029 36.053 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 0.603 -43.816 37.007 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 0.950 -44.968 36.034 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 6.192 -44.628 18.514 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 6.072 -44.970 19.408 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 6.446 -43.693 18.649 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 6.275 -43.552 21.481 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 6.867 -43.030 22.063 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 6.288 -43.068 20.635 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 4.948 -43.954 34.589 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 4.827 -43.199 35.204 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 4.044 -44.123 34.241 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 12.755 -46.549 35.147 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 12.887 -45.580 35.237 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 11.951 -46.730 35.687 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 17.228 -47.075 16.329 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 17.445 -46.224 16.769 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 17.230 -46.855 15.369 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 8.207 -50.455 34.542 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 7.310 -50.136 34.312 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 8.522 -50.883 33.731 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 13.617 -49.141 35.452 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 13.384 -48.193 35.381 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 12.762 -49.600 35.403 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 6.148 -48.950 33.509 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 6.740 -48.898 32.726 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 5.348 -48.486 33.233 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 8.570 -47.536 34.636 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 7.972 -46.802 34.921 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 7.984 -48.310 34.576 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 10.820 -49.847 35.238 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 9.861 -49.994 35.071 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 10.881 -49.773 36.215 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 3.706 -41.517 24.187 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 3.452 -42.045 24.982 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 3.732 -40.600 24.516 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 15.427 -44.761 22.920 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 16.229 -45.127 23.349 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 14.902 -44.384 23.669 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 19.545 -45.148 22.021 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 19.309 -45.757 21.287 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 18.929 -45.401 22.748 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 19.032 -48.549 17.772 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 19.488 -49.106 17.111 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 18.448 -47.974 17.233 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 17.805 -45.959 23.942 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 17.942 -46.070 24.901 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 17.524 -46.851 23.639 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 0.627 -44.488 27.488 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 0.347 -44.390 26.565 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 0.353 -45.399 27.726 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 15.994 -46.646 33.290 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 16.017 -47.248 34.064 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 16.631 -45.941 33.519 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 16.661 -48.329 23.390 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 17.459 -48.881 23.541 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 16.561 -48.310 22.414 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 15.333 -47.284 25.608 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 16.190 -47.351 26.070 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 15.493 -47.722 24.751 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 18.510 -47.758 32.611 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 17.546 -47.612 32.567 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 18.824 -47.575 31.697 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 12.262 -41.163 45.207 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 12.006 -41.117 44.264 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 11.469 -40.853 45.683 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 14.997 -41.362 45.104 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 14.014 -41.396 45.074 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 15.280 -42.130 44.555 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 1.781 -42.603 45.842 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 0.805 -42.553 45.705 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 1.916 -43.470 46.263 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 11.747 -38.450 43.332 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 11.581 -39.337 42.952 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 12.506 -38.098 42.796 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 11.440 -41.146 42.575 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 11.806 -42.014 42.326 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 10.482 -41.319 42.683 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 11.346 -43.983 42.415 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 11.331 -44.424 41.541 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 11.991 -44.504 42.935 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 0.739 -43.291 38.718 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 1.619 -42.865 38.782 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 0.125 -42.538 38.536 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 15.984 -38.842 44.455 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 15.919 -38.626 43.488 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 15.668 -39.769 44.515 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 13.579 -45.279 43.606 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 14.238 -45.863 44.054 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 14.062 -44.440 43.480 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 10.760 -44.698 39.781 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 10.078 -44.031 39.956 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.831 -44.712 38.805 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 11.235 -49.287 37.913 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 11.124 -48.683 38.689 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 11.920 -49.902 38.195 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 12.158 -47.399 42.571 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 12.696 -46.631 42.856 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 12.215 -48.011 43.309 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 -1.638 -45.437 46.392 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 -2.072 -45.805 47.166 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 -0.721 -45.800 46.437 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 8.123 -40.161 44.381 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 8.823 -40.053 45.063 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 8.445 -40.902 43.826 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 14.677 -40.205 47.598 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 14.885 -40.649 46.746 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 13.790 -40.517 47.815 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 11.217 -47.497 39.964 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 10.973 -46.555 39.903 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 11.546 -47.597 40.884 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 0.840 -46.442 46.824 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 1.612 -45.836 46.883 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 1.232 -47.314 46.744 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 6.413 -43.233 43.274 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 6.389 -42.977 42.321 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 6.009 -42.482 43.730 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 16.253 -48.416 35.376 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 16.798 -49.210 35.360 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 15.333 -48.756 35.480 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 18.997 -44.823 38.125 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 18.333 -45.339 37.612 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 19.782 -44.790 37.538 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 1.583 -46.509 36.544 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 1.070 -46.518 37.385 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 2.250 -47.187 36.667 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 9.079 -42.436 43.045 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 9.753 -43.138 42.907 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 8.231 -42.922 43.080 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 4.482 -43.563 48.841 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 4.919 -43.667 49.691 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 4.532 -42.602 48.660 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 3.095 -44.886 46.872 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 3.832 -45.062 46.255 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 3.533 -44.476 47.655 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 2.769 -41.380 38.433 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 3.505 -40.882 38.818 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 2.261 -40.715 37.947 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 6.609 -42.141 40.782 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 6.617 -42.482 39.880 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 7.258 -41.396 40.763 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 17.765 -38.591 46.445 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 18.700 -38.524 46.144 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 17.250 -38.703 45.614 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 -2.543 -37.827 42.771 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 -1.873 -37.212 42.396 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 -2.936 -38.257 41.982 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 4.525 -39.186 37.100 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 5.103 -38.418 37.273 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 3.853 -38.837 36.458 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 12.764 -43.861 35.588 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 12.876 -42.923 35.355 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 13.321 -43.971 36.400 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 9.233 -42.375 38.397 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 9.639 -43.119 37.907 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 9.080 -41.693 37.707 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 10.533 -44.369 37.061 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 10.346 -45.316 36.864 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 11.265 -44.139 36.453 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 -3.349 -39.950 44.319 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 -2.885 -39.156 43.976 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 -3.330 -40.582 43.559 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 4.471 -42.384 45.679 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 3.487 -42.501 45.699 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 4.819 -43.299 45.665 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 17.397 -36.323 47.910 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 18.245 -36.336 48.380 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 17.379 -37.182 47.435 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 19.586 -38.166 48.773 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 19.969 -38.279 47.879 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 19.060 -38.969 48.910 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 15.709 -43.498 43.517 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 16.111 -44.317 43.851 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 16.042 -43.428 42.593 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 23.125 -42.853 37.227 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 23.063 -42.645 38.179 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 22.385 -43.480 37.070 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 17.226 -46.087 36.514 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 17.611 -45.781 35.664 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 16.820 -46.948 36.293 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 5.395 -44.948 45.206 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 5.729 -44.499 44.398 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 6.044 -45.639 45.376 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 4.579 -40.915 48.006 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 4.610 -41.395 47.151 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 4.719 -39.983 47.760 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 4.216 -38.130 47.233 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 3.538 -38.338 47.919 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 3.731 -37.578 46.577 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 11.942 -37.916 45.973 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 11.957 -38.094 45.002 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 12.886 -37.843 46.216 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 14.698 -37.672 46.541 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 15.153 -37.961 45.717 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 14.764 -38.451 47.132 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 17.375 -40.457 48.361 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 16.406 -40.470 48.439 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 17.546 -39.808 47.648 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 4.021 -39.970 44.655 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 3.055 -39.943 44.654 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 4.233 -40.876 44.971 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 15.828 -16.301 -1.745 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 15.513 -17.208 -1.536 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 15.715 -16.227 -2.713 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 10.700 -20.536 0.807 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 11.151 -21.382 0.634 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 9.796 -20.797 1.080 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 9.008 -27.863 7.591 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 8.239 -27.726 8.191 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 9.433 -28.660 7.933 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 11.474 -25.394 10.347 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 10.836 -25.308 9.598 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 11.638 -26.359 10.400 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 14.013 -24.474 10.763 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 13.189 -24.950 10.547 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 14.455 -24.360 9.896 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 4.770 -29.334 10.520 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 4.982 -28.461 10.900 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 4.897 -29.210 9.559 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 2.609 -30.067 7.851 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 2.410 -30.913 8.304 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 1.897 -29.463 8.156 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 0.520 -28.894 9.294 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 -0.372 -29.257 9.103 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 0.340 -27.996 9.631 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 6.981 -27.492 9.371 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 6.267 -27.804 8.770 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 6.501 -26.984 10.062 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 4.942 -28.562 7.884 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 5.358 -28.686 7.005 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 4.042 -28.936 7.777 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 0.845 -33.238 12.170 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 -0.114 -33.077 12.325 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 0.869 -33.754 11.339 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 3.875 -32.827 12.858 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 4.223 -32.769 13.777 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 4.003 -33.767 12.616 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 9.748 -25.308 8.331 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 9.696 -26.243 8.046 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 8.973 -24.887 7.904 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 15.062 -36.546 7.735 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 15.988 -36.617 7.415 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 14.754 -35.688 7.377 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 1.722 -35.242 13.939 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.393 -34.436 13.495 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 2.634 -35.347 13.594 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 7.718 -35.913 10.921 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 7.072 -35.390 10.416 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 7.212 -36.213 11.712 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 14.749 -24.699 8.155 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 14.754 -25.641 8.427 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 15.196 -24.700 7.290 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 7.696 -26.785 5.446 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 8.333 -27.161 6.093 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 7.045 -27.499 5.319 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 13.820 -27.632 11.510 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 14.498 -27.332 10.877 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 13.049 -27.854 10.944 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 5.154 -26.553 11.196 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 4.233 -26.481 10.853 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 5.266 -25.750 11.743 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 9.119 -28.864 10.442 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 8.376 -28.295 10.150 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 8.693 -29.572 10.938 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 6.154 -29.358 5.527 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 6.185 -29.575 4.591 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 5.835 -30.189 5.955 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 2.434 -23.644 11.583 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 1.480 -23.635 11.353 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 2.584 -22.773 12.015 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 5.378 -20.169 9.834 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 5.652 -20.817 10.515 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 4.664 -19.662 10.264 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 14.904 -18.733 -0.878 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 14.421 -19.509 -1.228 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 15.341 -19.072 -0.067 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 2.531 -26.196 10.515 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 1.589 -26.400 10.368 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 2.531 -25.262 10.804 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 13.966 -29.745 9.193 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 13.790 -30.695 9.013 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 14.793 -29.755 9.721 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 2.275 -32.362 9.281 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 1.694 -33.124 9.492 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 3.072 -32.779 8.886 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 9.294 -38.917 8.089 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 9.381 -39.873 8.018 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 8.618 -38.788 8.795 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 4.834 -31.475 6.651 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 3.985 -31.052 6.874 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 4.798 -32.339 7.113 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 12.898 -34.662 12.219 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 13.013 -33.722 11.981 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 12.036 -34.910 11.808 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 11.698 -28.121 9.922 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 12.176 -28.858 9.494 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 10.808 -28.495 10.125 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 4.260 -33.831 8.031 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 4.032 -34.552 7.430 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 4.650 -34.288 8.816 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 11.171 -24.241 2.309 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 10.244 -24.427 2.594 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 11.606 -25.098 2.359 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 12.102 -22.088 3.897 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 11.375 -21.433 3.970 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 11.729 -22.797 3.332 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 18.516 -20.069 2.394 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 19.236 -19.964 1.732 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 18.988 -20.274 3.219 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.448 -19.799 11.321 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.749 -20.086 12.197 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 7.580 -20.224 11.218 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 7.724 -24.334 6.761 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 7.553 -25.164 6.264 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 8.075 -23.714 6.083 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 7.265 -20.429 7.828 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 6.722 -21.050 7.302 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 6.675 -20.173 8.571 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 14.580 -23.442 4.221 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 13.690 -23.091 4.414 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 14.813 -23.029 3.370 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 14.223 -21.631 2.061 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 13.548 -21.322 2.691 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 14.737 -20.826 1.844 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 15.105 -27.266 8.970 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 14.573 -28.090 8.916 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 15.864 -27.435 8.373 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 4.951 -24.090 12.627 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 4.813 -23.780 13.553 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 4.067 -23.991 12.209 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 8.792 -24.960 3.453 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 8.599 -24.140 3.947 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 8.391 -25.664 3.992 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 8.426 -22.583 4.820 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 7.546 -22.233 4.539 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 9.039 -21.829 4.672 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 8.264 -21.139 1.888 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 7.907 -21.914 2.346 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 7.467 -20.639 1.616 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 14.916 -33.776 7.129 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 15.765 -33.620 7.555 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 14.283 -33.266 7.667 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 12.384 -22.701 0.336 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 11.886 -23.361 0.861 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 13.125 -22.437 0.925 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 16.109 -25.116 5.754 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 15.431 -24.646 5.211 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 16.933 -24.672 5.532 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 9.896 -20.415 4.037 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 9.825 -19.480 4.343 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 9.440 -20.417 3.170 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 14.654 -29.973 12.664 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 14.240 -29.121 12.413 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.386 -30.078 12.021 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 13.738 -32.443 9.348 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 14.131 -33.331 9.528 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 13.304 -32.203 10.196 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 1.074 -34.764 9.887 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 0.953 -35.239 9.039 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 1.408 -35.458 10.496 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 -1.819 -32.852 12.497 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 -2.636 -33.085 12.955 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 -1.938 -31.901 12.259 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 -0.980 -37.667 9.920 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 -1.302 -37.050 10.608 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 -0.361 -38.251 10.393 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 5.049 -21.105 17.419 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 4.789 -21.721 18.116 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 5.642 -20.466 17.872 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 2.859 -21.287 12.955 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 3.079 -20.571 12.322 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 3.260 -20.985 13.803 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 -0.936 -19.478 8.703 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 -1.724 -19.949 8.344 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 -0.791 -18.761 8.081 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 6.370 -21.716 11.844 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 5.861 -22.532 12.022 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 6.866 -21.557 12.673 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 10.520 -35.630 11.258 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.551 -35.571 11.138 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.696 -36.589 11.294 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 14.685 -38.832 9.162 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 14.741 -38.045 8.575 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 13.718 -39.009 9.225 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 19.890 -31.383 7.369 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 20.253 -32.013 8.028 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 20.239 -31.694 6.530 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 0.998 -36.923 8.163 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 0.162 -37.154 8.619 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 1.566 -37.703 8.301 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 7.992 -37.228 6.318 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 8.488 -37.827 6.917 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 8.658 -36.612 5.998 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 14.648 -34.890 9.971 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 14.818 -35.692 9.445 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 14.253 -35.222 10.795 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 11.668 -18.996 -1.195 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 12.319 -19.659 -1.494 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 11.271 -19.400 -0.389 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 15.937 -19.483 1.565 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 15.953 -18.797 2.250 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 16.805 -19.935 1.661 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 4.135 -18.564 37.639 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 3.849 -19.493 37.478 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 3.472 -18.220 38.280 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 13.956 -29.743 32.508 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 14.437 -29.560 33.323 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 14.468 -29.268 31.816 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 4.347 -23.769 34.387 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 4.833 -23.967 35.218 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 3.586 -24.358 34.418 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 0.175 -32.582 42.736 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 0.014 -32.222 41.835 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 -0.679 -32.999 42.977 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.694 -28.497 46.542 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 8.672 -28.498 46.629 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 7.381 -28.274 47.430 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 8.408 -35.384 44.678 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 9.263 -35.376 44.193 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 8.642 -35.749 45.556 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 1.883 -33.860 44.536 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 1.303 -33.401 43.889 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 2.568 -33.194 44.756 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.049 -32.623 42.013 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 5.196 -32.703 41.530 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 6.705 -33.031 41.404 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 7.512 -35.794 49.475 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 6.810 -35.644 50.117 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 7.915 -34.900 49.349 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 12.574 -25.901 38.772 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 12.917 -25.320 39.477 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 12.890 -25.478 37.942 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 7.130 -27.672 43.825 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 6.765 -28.512 43.469 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 7.279 -27.859 44.771 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 3.991 -32.112 44.790 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 4.477 -31.380 45.223 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 4.669 -32.811 44.682 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 2.922 -26.333 38.614 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 2.156 -26.830 38.264 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 3.567 -27.029 38.854 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 12.233 -26.414 48.337 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.066 -26.306 47.843 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 11.623 -25.760 47.927 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 15.465 -34.743 48.967 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 16.128 -35.412 48.669 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 14.612 -35.184 48.847 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 14.277 -19.494 40.512 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.560 -19.466 41.149 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 13.976 -20.147 39.841 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 12.045 -24.409 41.699 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 12.737 -24.038 41.108 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 12.517 -24.621 42.509 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 17.180 -28.566 50.028 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 16.781 -28.025 50.748 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 17.033 -28.046 49.232 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 17.446 -30.394 47.403 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 17.086 -29.810 46.697 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 18.393 -30.497 47.169 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 10.805 -29.289 51.181 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 11.729 -29.622 51.268 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 10.712 -28.666 51.910 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 6.178 -30.088 43.002 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 6.113 -30.956 42.554 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 6.025 -30.298 43.947 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 6.092 -30.581 45.714 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 6.536 -31.329 46.171 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 6.592 -29.793 46.013 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 10.172 -25.120 47.101 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 9.420 -25.273 47.716 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 9.764 -25.096 46.232 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 13.177 -21.358 38.848 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 13.300 -21.165 37.891 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 12.238 -21.664 38.912 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 2.909 -30.342 37.890 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 2.971 -30.646 36.977 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 2.508 -31.104 38.369 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.153 -24.624 33.583 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 15.686 -25.434 33.715 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 14.248 -24.944 33.509 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 10.683 -22.372 39.042 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 9.963 -21.962 38.524 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 10.227 -23.033 39.602 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 8.827 -20.898 37.633 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 9.590 -20.425 37.237 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 8.216 -20.183 37.901 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 16.528 -18.059 40.052 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 16.990 -18.247 40.872 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 15.675 -18.545 40.140 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 12.504 -33.738 48.254 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 11.681 -33.437 47.820 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 13.001 -34.194 47.534 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 6.807 -37.265 47.135 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 7.167 -36.773 47.901 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 5.904 -37.515 47.417 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 11.444 -35.210 50.350 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 11.240 -34.591 51.056 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 11.828 -34.652 49.643 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 3.818 -32.954 40.493 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 3.442 -32.385 41.209 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 3.103 -32.983 39.819 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 0.535 -36.182 44.287 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 0.939 -35.297 44.448 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 -0.292 -36.162 44.792 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 10.357 -28.334 47.393 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 10.876 -27.548 47.661 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 11.039 -29.030 47.257 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 10.244 -33.487 46.451 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 10.104 -34.414 46.751 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 10.636 -33.580 45.577 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 2.721 -31.481 42.444 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 1.787 -31.692 42.636 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 3.157 -31.505 43.320 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 13.875 -35.129 46.415 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 14.132 -36.058 46.605 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 13.730 -35.121 45.444 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 7.476 -32.759 46.697 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 7.035 -33.317 46.029 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 8.432 -32.929 46.562 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 14.859 -27.132 47.474 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 14.616 -27.568 48.298 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 14.697 -27.822 46.779 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 8.726 -28.263 49.577 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 9.242 -28.392 48.755 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 9.269 -28.690 50.264 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 13.987 -23.721 39.919 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 13.719 -22.828 39.602 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 14.700 -23.986 39.301 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 7.555 -26.111 41.666 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 6.859 -25.475 41.874 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 7.468 -26.799 42.371 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 1.694 -32.651 38.820 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 0.956 -32.353 39.397 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 1.246 -33.165 38.108 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 7.111 -26.789 39.126 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 7.254 -26.436 40.032 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 6.341 -27.379 39.219 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 9.512 -24.318 40.688 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 10.369 -24.391 41.164 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 8.953 -25.002 41.097 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 8.084 -25.730 48.771 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 8.286 -26.610 49.160 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 7.481 -25.327 49.400 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 10.640 -24.972 33.516 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 10.383 -24.637 32.631 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 11.383 -24.388 33.780 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 10.517 -21.195 34.349 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 9.595 -21.172 34.061 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 10.568 -20.509 35.041 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.220 -28.026 37.951 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 14.129 -28.818 38.518 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 13.561 -27.402 38.306 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 3.131 -23.544 38.743 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.906 -24.501 38.753 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 3.008 -23.263 39.656 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 9.860 -37.235 49.354 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 8.988 -36.850 49.574 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 10.504 -36.641 49.800 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 10.451 -31.304 49.235 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 11.019 -30.979 48.518 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 10.495 -30.603 49.913 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 5.004 -20.738 39.800 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 5.720 -20.106 39.635 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 5.278 -21.537 39.319 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 12.501 -30.035 47.380 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 13.045 -30.550 48.014 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 13.154 -29.714 46.711 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 2.368 -20.152 40.311 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 2.345 -19.215 40.041 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 3.314 -20.404 40.222 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 3.082 -36.557 45.304 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 3.194 -35.595 45.224 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 2.191 -36.721 44.932 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 12.472 -23.144 34.295 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 11.800 -22.421 34.317 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 13.327 -22.673 34.206 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 13.392 -27.197 50.804 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 13.252 -28.160 50.857 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 12.859 -26.918 50.031 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 6.315 -22.193 37.646 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 5.971 -21.414 37.193 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 7.279 -22.033 37.695 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 10.013 -36.164 46.851 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 9.862 -36.575 47.731 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 10.744 -36.695 46.464 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 8.416 -33.223 49.265 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 9.172 -32.600 49.342 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 7.925 -32.901 48.484 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 10.050 -39.842 46.358 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 10.700 -39.106 46.275 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 9.623 -39.683 47.212 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 6.811 -19.045 38.160 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 5.872 -18.850 37.948 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.292 -18.242 37.866 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 5.175 -24.568 36.870 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 4.504 -24.740 37.548 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 5.683 -23.805 37.225 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 18.281 -30.471 40.358 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 18.672 -29.681 39.936 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 18.118 -30.192 41.279 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 18.248 -29.076 42.855 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 17.712 -29.326 43.642 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 18.103 -28.126 42.767 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 20.082 -27.923 46.892 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 20.557 -27.237 46.410 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 19.137 -27.632 46.855 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 15.905 -26.903 51.776 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 15.883 -26.238 52.467 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 14.975 -26.950 51.455 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 19.227 -31.898 38.127 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 18.500 -31.956 37.478 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 18.810 -31.495 38.919 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 13.424 -29.998 51.323 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 13.544 -30.550 50.517 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 14.150 -30.279 51.912 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 13.883 -31.596 49.175 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 13.431 -32.449 48.983 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 14.825 -31.847 49.310 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 6.159 -33.853 44.443 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 6.187 -33.415 43.564 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 6.942 -34.449 44.441 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 19.326 -34.282 51.922 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 19.831 -35.033 51.538 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 18.385 -34.572 51.872 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 16.618 -34.334 51.478 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 16.192 -33.561 51.887 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 16.143 -34.450 50.633 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 10.949 -35.633 43.714 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 11.902 -35.420 43.798 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 10.939 -36.590 43.526 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 13.629 -35.502 43.753 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 13.682 -36.297 43.155 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 14.214 -34.842 43.318 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 13.244 -24.581 36.514 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 14.136 -24.279 36.779 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 13.014 -24.007 35.751 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 15.756 -24.276 37.857 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 15.973 -25.178 37.522 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 16.572 -23.779 37.741 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 3.148 -21.095 37.246 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 2.187 -20.997 37.227 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 3.291 -21.954 37.697 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 11.153 -4.914 -9.381 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 10.234 -4.647 -9.160 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 11.567 -4.097 -9.688 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 7.618 -14.664 -6.728 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 7.405 -13.711 -6.641 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 8.436 -14.771 -6.221 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 10.274 -3.750 -16.316 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 10.043 -3.125 -17.014 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 10.386 -4.589 -16.774 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 4.762 -2.927 -10.290 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 5.557 -2.352 -10.284 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 4.044 -2.331 -10.526 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 14.313 -13.406 -10.383 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 14.613 -13.701 -11.249 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 13.334 -13.492 -10.422 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 3.978 -7.227 -6.049 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 3.623 -7.289 -6.942 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 4.116 -6.275 -5.913 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 17.471 -14.515 -5.153 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 18.151 -15.170 -5.340 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 16.710 -15.042 -4.841 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 8.489 -6.118 -11.844 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 9.189 -5.830 -11.245 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 8.140 -5.279 -12.226 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 10.739 -12.609 -12.450 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 10.127 -12.728 -13.180 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 10.862 -11.637 -12.394 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 4.995 -17.278 -2.785 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 4.740 -16.803 -3.579 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 5.912 -16.977 -2.609 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 4.403 -4.388 -6.203 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 4.216 -4.573 -7.155 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 5.353 -4.642 -6.098 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 16.584 -10.840 -7.570 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 16.797 -9.902 -7.365 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 15.915 -10.783 -8.284 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 13.938 -13.873 -5.451 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 13.613 -14.067 -6.360 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 14.422 -13.023 -5.547 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 9.487 -2.642 -13.956 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 10.288 -2.335 -13.481 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 9.843 -3.145 -14.728 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 18.315 -11.922 -5.736 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 17.813 -11.665 -6.542 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 18.062 -12.860 -5.586 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 6.831 -5.567 -6.127 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 7.783 -5.475 -6.309 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 6.798 -6.068 -5.291 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 9.500 -4.941 -6.235 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 10.422 -4.721 -6.413 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 9.245 -4.339 -5.496 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 8.467 -8.827 -11.863 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 7.623 -9.052 -12.271 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 8.485 -7.840 -11.877 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 4.819 -9.941 -2.183 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 4.163 -9.365 -1.726 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 4.975 -9.490 -3.038 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 7.507 -3.628 -12.326 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 8.157 -3.253 -12.960 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 7.173 -2.852 -11.842 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 6.926 -1.301 -10.774 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 6.530 -0.409 -10.663 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 7.860 -1.115 -11.037 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 8.605 -0.677 -15.691 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 7.805 -0.293 -15.321 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 8.858 -1.371 -15.047 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 3.323 -8.162 -0.746 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 3.756 -7.384 -0.330 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 2.403 -8.092 -0.478 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 7.518 -16.359 -2.122 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.419 -16.762 -2.183 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 7.672 -15.419 -2.265 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 9.592 -13.161 -8.269 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 8.636 -13.321 -8.278 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 9.944 -13.853 -7.665 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 10.950 -9.906 -12.303 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 11.339 -9.554 -13.137 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 10.072 -9.465 -12.241 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 11.799 -9.939 -9.723 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 11.998 -8.981 -9.661 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 11.562 -10.073 -10.669 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 6.349 -11.367 -4.240 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 6.120 -10.433 -4.446 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 5.948 -11.519 -3.372 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 11.591 -13.507 -10.073 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 11.284 -13.300 -10.988 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 10.817 -13.287 -9.508 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 10.670 -14.896 -6.490 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.401 -15.706 -6.000 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 11.575 -15.086 -6.789 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 7.278 -6.680 -3.666 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 8.079 -6.139 -3.662 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 6.935 -6.602 -2.747 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 9.080 -9.689 -9.175 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 10.000 -9.969 -9.324 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 8.762 -9.433 -10.058 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 13.127 -14.454 -7.988 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 13.945 -14.430 -8.512 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 12.437 -14.157 -8.619 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 14.517 -8.341 -8.305 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 13.807 -7.849 -8.761 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.414 -9.261 -8.626 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 5.637 -8.763 -4.527 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 6.265 -8.053 -4.283 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 4.960 -8.303 -5.079 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 10.269 -11.040 -2.377 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 9.660 -10.307 -2.246 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 11.096 -10.617 -2.689 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 6.474 -5.343 -9.999 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 6.049 -4.585 -10.440 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.966 -5.788 -10.712 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 1.973 -3.082 -6.620 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 2.842 -3.485 -6.411 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 1.622 -3.632 -7.332 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 9.455 -16.979 -5.229 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 8.852 -17.243 -5.964 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 9.133 -17.481 -4.469 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 12.823 -12.683 -3.177 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 13.553 -12.273 -2.688 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 13.262 -13.199 -3.882 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 12.456 -7.280 -9.760 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 11.950 -6.493 -9.444 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 12.713 -7.045 -10.659 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 13.921 -2.243 -8.019 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 14.736 -1.946 -7.575 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 13.329 -2.499 -7.288 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 7.438 -11.911 -6.633 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 6.979 -11.246 -7.162 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 7.076 -11.785 -5.721 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 6.434 -17.540 0.167 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 5.574 -17.841 -0.194 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 6.886 -17.132 -0.601 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 4.140 -18.855 -0.745 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 3.184 -18.944 -0.800 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 4.388 -18.406 -1.588 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 6.208 -9.991 0.142 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 5.800 -9.925 -0.751 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 7.031 -9.468 0.070 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 10.055 -17.221 -2.428 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 10.627 -16.964 -3.160 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 10.580 -17.901 -1.939 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 5.999 -16.128 2.458 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 6.553 -16.586 3.104 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 6.166 -16.605 1.617 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 19.779 -1.477 -10.798 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 20.470 -2.122 -10.985 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 20.228 -0.605 -10.915 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 17.738 -5.377 -4.151 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 18.205 -4.948 -4.906 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 18.174 -6.256 -4.071 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 16.781 -8.233 -6.836 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 17.337 -7.480 -7.070 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 15.956 -8.098 -7.364 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 15.224 -5.383 -5.250 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 15.526 -4.669 -5.848 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 16.041 -5.673 -4.798 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 12.270 -9.249 -14.608 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 13.110 -9.719 -14.646 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 12.139 -8.923 -15.505 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 14.277 -10.942 -9.152 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 13.323 -10.767 -9.311 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 14.432 -11.814 -9.576 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 14.972 -11.347 -5.407 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 15.460 -11.166 -6.241 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 15.601 -11.089 -4.704 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 16.324 -16.082 1.515 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 16.787 -16.350 0.703 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 16.693 -16.676 2.210 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 14.235 -11.675 -0.731 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 15.104 -11.251 -0.650 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 14.418 -12.624 -0.549 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 11.643 -1.628 -12.523 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.337 -1.107 -12.983 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 12.132 -2.112 -11.825 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 4.904 -2.302 -4.482 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 4.614 -3.091 -4.981 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 5.483 -1.820 -5.119 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 15.224 -16.064 -4.458 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 14.798 -16.804 -4.905 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 14.726 -15.273 -4.773 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 6.659 -1.172 -6.224 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 6.885 -0.255 -5.940 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 7.320 -1.373 -6.919 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 5.009 -0.332 -8.307 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 5.424 -0.670 -7.490 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 4.050 -0.313 -8.097 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.009 -5.063 -8.742 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 4.119 -4.238 -9.264 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 4.769 -5.612 -9.015 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 8.612 -4.104 -8.724 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 8.668 -4.450 -7.812 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 7.802 -4.526 -9.091 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 7.669 -17.363 -7.245 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 7.290 -17.628 -8.088 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 7.476 -16.403 -7.184 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 13.474 -21.053 -1.598 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 13.028 -21.616 -0.924 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 13.771 -21.679 -2.267 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 15.639 -8.492 6.269 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 16.174 -9.262 5.969 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 15.957 -8.324 7.185 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 13.329 -9.320 7.559 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 14.037 -8.984 6.979 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 13.361 -8.725 8.344 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 16.366 -16.243 12.137 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 16.379 -16.617 13.050 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 16.346 -17.026 11.569 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 8.016 -13.486 7.153 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 8.289 -14.386 7.441 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.418 -13.652 6.397 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 8.127 -10.899 4.979 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 7.179 -11.039 4.716 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 8.093 -10.827 5.962 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 6.016 -15.061 14.581 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 5.909 -14.347 13.909 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 5.284 -15.682 14.389 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 13.318 -4.836 5.140 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 13.617 -4.931 6.051 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 13.252 -3.861 5.008 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 8.169 -10.860 10.713 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 7.636 -10.608 11.488 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.032 -11.108 11.092 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 15.475 -5.477 9.329 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 16.012 -5.251 10.091 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 16.119 -5.565 8.599 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 12.430 -4.543 1.873 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 11.548 -4.236 2.164 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 12.552 -5.393 2.335 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 17.538 -10.324 15.969 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 16.896 -9.959 15.319 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 18.401 -10.162 15.565 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 15.977 -8.740 11.163 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 16.279 -8.681 10.231 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 16.767 -8.484 11.683 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 8.779 -13.157 3.540 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 9.497 -13.584 4.055 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 8.552 -12.359 4.060 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 7.967 -10.846 7.813 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 7.892 -11.822 7.725 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 7.934 -10.691 8.777 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 17.431 -5.578 7.302 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 18.006 -4.818 7.173 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 17.217 -5.873 6.391 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 8.802 -5.326 0.768 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 8.803 -6.210 1.162 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 9.069 -4.733 1.505 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 5.638 -11.215 4.042 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 5.438 -12.043 3.550 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 4.815 -10.718 4.011 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 7.712 -4.627 7.494 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 6.941 -5.203 7.447 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.371 -5.149 7.966 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 11.634 1.554 7.031 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 11.176 0.706 7.261 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 12.142 1.767 7.822 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 16.305 -14.496 20.061 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 16.613 -13.956 20.828 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 15.965 -15.307 20.464 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 4.747 -23.036 15.137 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 4.037 -23.386 15.714 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 5.060 -22.244 15.606 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 6.201 -13.049 12.723 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 6.412 -12.124 12.956 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 6.489 -13.133 11.808 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 6.704 -14.295 4.849 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 7.433 -13.990 4.265 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 5.894 -14.050 4.358 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 13.104 -11.285 19.096 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 13.717 -11.964 18.740 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 13.378 -11.190 20.038 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 5.831 -19.892 1.449 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 6.264 -19.043 1.222 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 5.099 -19.955 0.812 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 9.224 -17.563 9.885 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 9.016 -16.888 10.548 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 8.953 -18.410 10.313 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 5.093 -13.574 2.737 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 5.320 -14.516 2.565 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 4.972 -13.190 1.838 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 4.940 -12.389 0.279 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 4.417 -12.245 -0.515 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 5.478 -11.571 0.363 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 6.940 -16.941 5.294 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 6.039 -17.243 5.455 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 6.858 -15.959 5.234 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 10.045 -14.240 11.832 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 10.001 -13.345 12.223 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 9.493 -14.793 12.434 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 14.629 -13.646 14.520 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 14.533 -14.552 14.839 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 15.382 -13.288 15.042 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.996 -10.210 15.956 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 14.458 -10.136 16.800 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 13.115 -10.575 16.198 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 9.227 -11.108 15.145 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 9.399 -12.075 15.180 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 10.001 -10.718 15.594 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 15.482 -11.746 2.591 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 14.539 -12.004 2.683 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 15.525 -10.863 3.020 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 14.147 -2.878 0.551 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 13.881 -1.931 0.626 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 13.421 -3.373 1.002 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 10.441 -7.405 3.620 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 9.639 -7.932 3.407 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 10.193 -6.906 4.406 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 6.126 -0.983 5.505 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 6.151 -0.136 5.007 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 5.277 -0.963 5.960 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 12.785 -11.698 13.701 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 13.066 -11.005 14.316 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 13.357 -12.458 13.926 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 15.592 -2.155 2.913 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 15.917 -3.069 3.030 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 15.105 -2.185 2.069 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 4.554 -3.434 1.399 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 3.738 -2.912 1.548 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 5.258 -2.885 1.785 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 5.709 -8.096 2.121 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 5.656 -8.867 1.523 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 5.220 -7.396 1.652 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 9.941 -3.359 2.288 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 9.962 -2.749 3.065 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 10.192 -2.798 1.544 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 10.134 -1.555 4.284 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 10.923 -1.225 4.732 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 9.506 -1.743 5.011 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 6.126 -21.564 3.800 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 5.462 -21.525 4.502 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 5.785 -20.964 3.108 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 6.968 -6.380 -0.950 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 7.516 -5.724 -0.471 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 7.282 -7.241 -0.606 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 8.569 -16.118 7.596 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 8.815 -16.684 8.355 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 7.995 -16.680 7.054 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 8.375 -8.347 0.444 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 8.299 -8.594 1.392 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 9.345 -8.289 0.289 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 16.713 -12.959 16.175 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 17.326 -13.410 16.794 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 17.039 -12.033 16.147 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 8.158 -8.818 3.162 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 8.083 -9.563 3.798 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 7.223 -8.538 3.009 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 7.165 -10.484 13.340 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 6.677 -9.732 13.694 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 7.837 -10.680 14.027 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 10.356 -13.641 15.415 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 10.768 -14.410 14.979 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 9.565 -14.017 15.865 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 8.500 -15.772 13.521 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 8.718 -16.614 13.932 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 7.610 -15.558 13.870 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 10.293 -11.544 12.524 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 9.841 -11.220 13.321 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 11.243 -11.562 12.782 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 13.396 -17.047 20.237 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 13.513 -17.871 19.735 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 12.415 -16.956 20.321 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 14.806 -13.216 18.173 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 15.369 -13.147 17.377 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 15.372 -13.689 18.828 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 5.076 -15.412 18.270 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 4.300 -15.378 17.664 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 4.955 -14.643 18.845 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 11.650 -11.419 16.623 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 11.833 -11.579 17.567 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 11.369 -12.295 16.279 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 4.041 -17.225 14.007 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 3.255 -17.214 14.592 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 4.405 -18.113 14.122 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 7.337 -16.888 17.774 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 6.475 -16.423 17.851 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 7.918 -16.231 17.356 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 4.597 -6.018 0.438 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 5.372 -6.007 -0.163 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 4.570 -5.105 0.809 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 15.676 -5.033 2.708 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 14.743 -5.175 2.935 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 16.169 -5.500 3.419 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 13.094 -6.854 3.340 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 13.174 -6.234 4.104 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 12.166 -7.182 3.395 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.856 -7.695 9.653 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 14.287 -6.823 9.533 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 14.378 -8.121 10.359 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 13.683 -16.747 0.851 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 14.564 -16.503 1.184 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 13.856 -17.490 0.241 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 19.802 -12.092 18.165 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 19.379 -12.966 18.032 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 20.568 -12.095 17.541 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 18.204 -14.277 18.110 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 17.452 -14.453 18.725 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 18.571 -15.171 17.922 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.956 -11.988 6.343 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 15.611 -11.484 5.830 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 15.499 -12.545 6.945 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 15.237 -14.142 -0.221 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 15.408 -14.806 -0.930 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 15.409 -14.630 0.601 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 10.567 -0.858 7.579 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 10.936 -1.534 8.154 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 9.748 -1.266 7.223 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 3.272 -19.007 11.414 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 3.426 -18.209 11.945 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 2.311 -18.991 11.228 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 5.651 -22.491 6.845 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 6.325 -23.195 6.941 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 4.914 -22.794 7.385 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 0.821 -2.516 3.834 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 0.186 -1.950 4.286 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 0.793 -3.345 4.322 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 9.531 -17.877 5.030 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 8.581 -17.630 5.037 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 9.965 -17.151 5.494 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 10.317 -3.722 -0.850 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 10.528 -4.338 -1.578 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 9.749 -4.252 -0.250 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 13.504 -2.115 4.772 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.256 -2.121 4.150 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 13.211 -1.182 4.781 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 1.682 -20.589 20.466 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 0.875 -20.298 20.015 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 1.920 -19.838 21.034 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 6.693 -19.328 18.811 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 6.931 -18.478 18.375 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 7.547 -19.685 19.118 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 13.612 -14.001 24.777 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 12.720 -14.049 25.129 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 13.591 -14.596 23.989 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 13.559 -10.865 29.777 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 13.662 -10.201 30.491 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 14.457 -10.945 29.395 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 -1.817 -15.999 33.254 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 -2.144 -15.105 33.415 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 -1.747 -16.055 32.273 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.310 -9.275 31.938 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 14.610 -8.368 32.154 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.142 -9.771 31.801 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 3.105 -13.197 22.505 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 2.199 -13.095 22.859 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 3.640 -12.602 23.062 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 0.813 -12.470 24.063 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 0.351 -13.297 24.317 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 0.121 -11.777 24.157 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 1.348 -16.867 28.349 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 1.239 -16.452 27.469 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 2.312 -17.018 28.419 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 3.329 -11.548 24.778 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 2.415 -11.871 24.635 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 3.264 -10.991 25.557 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 15.872 -7.261 33.057 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.822 -7.349 33.262 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 15.430 -7.423 33.909 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 13.179 -15.399 22.527 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 13.373 -16.059 21.835 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 12.467 -14.846 22.139 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 8.129 -11.877 19.405 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 7.633 -11.983 20.245 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 9.036 -11.652 19.694 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 13.538 -11.563 21.782 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 14.256 -11.529 22.449 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 12.996 -12.315 22.059 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 16.646 -17.137 35.159 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 17.002 -17.872 34.618 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 17.121 -16.356 34.836 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 7.584 -9.443 23.138 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 7.545 -8.914 23.938 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 7.184 -8.862 22.447 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 6.489 -8.954 28.634 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 6.350 -8.138 28.150 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 7.274 -9.360 28.201 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 10.643 -11.188 20.396 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 11.475 -11.104 19.884 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 10.698 -10.485 21.057 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 6.444 -7.742 21.343 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 6.833 -7.759 20.437 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 5.604 -7.293 21.228 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 16.417 -13.534 31.539 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 15.586 -13.558 31.001 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 16.894 -14.343 31.267 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 12.679 -14.597 19.130 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 13.377 -14.096 18.656 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 13.110 -15.444 19.363 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 7.336 -13.272 32.246 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 6.863 -13.567 31.457 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 6.667 -13.323 32.961 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 11.434 -13.680 21.321 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 11.862 -13.889 20.459 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 10.948 -12.848 21.149 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 4.743 -15.970 33.400 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 5.689 -16.159 33.420 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 4.431 -16.205 34.302 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 7.994 -14.369 16.587 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 7.230 -14.494 15.984 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 7.642 -13.831 17.311 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 -0.611 -14.715 24.775 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 -0.853 -15.374 24.091 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 0.090 -15.162 25.296 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 3.355 -16.084 22.082 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 4.043 -16.458 21.481 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 3.396 -15.122 21.926 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 8.718 -9.955 27.381 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 8.744 -10.640 26.709 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 9.528 -10.113 27.917 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 7.399 -7.704 18.790 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 8.113 -7.201 18.394 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 7.386 -8.546 18.280 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 13.042 -10.493 34.227 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 12.804 -11.386 33.904 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 13.319 -10.014 33.420 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 5.320 -13.247 34.122 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 4.670 -13.913 33.841 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 4.932 -12.389 33.819 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 17.280 -12.974 22.104 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 16.597 -12.728 22.766 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 17.768 -12.137 21.946 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 18.490 -7.636 34.199 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 18.008 -7.109 34.873 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 18.725 -8.458 34.670 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 10.877 -10.635 28.954 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 11.843 -10.725 29.087 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 10.517 -10.629 29.847 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 -0.550 -16.562 18.574 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 -0.162 -15.907 19.183 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 -0.308 -17.423 18.963 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 12.624 -13.164 33.595 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 11.790 -13.207 33.068 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 12.434 -13.711 34.390 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 2.664 -14.689 17.223 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 2.028 -14.183 16.713 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 2.581 -14.334 18.136 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 14.894 -8.624 35.376 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 15.453 -9.340 35.005 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 13.990 -8.978 35.315 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 7.246 -11.925 22.039 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 6.575 -12.244 22.646 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 7.484 -11.036 22.388 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 4.416 -10.946 33.018 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 3.881 -10.191 33.278 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 4.980 -10.601 32.284 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 7.704 -10.029 17.383 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 8.134 -10.472 16.634 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 7.757 -10.685 18.113 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 18.083 -10.097 18.704 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 18.685 -10.863 18.585 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 17.649 -10.002 17.835 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 8.532 -10.789 32.340 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 8.015 -11.622 32.285 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 8.250 -10.389 33.170 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 6.091 -9.890 31.165 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 7.038 -10.005 31.348 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 6.070 -9.525 30.251 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 14.181 -15.211 37.969 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 14.330 -14.533 38.640 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 15.056 -15.650 37.875 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 15.337 -13.111 33.992 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 14.368 -13.185 33.834 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 15.740 -13.400 33.145 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 6.240 -15.047 36.092 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 6.081 -14.235 35.572 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 5.351 -15.440 36.197 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 10.206 -13.011 32.338 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 9.960 -12.068 32.302 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 9.354 -13.477 32.292 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 12.376 -14.527 35.976 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 11.771 -15.260 36.175 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 13.133 -14.676 36.583 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 14.357 -18.171 36.322 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 13.713 -17.467 36.483 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 15.082 -17.731 35.833 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 3.846 -16.442 35.938 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 2.887 -16.319 35.975 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 4.006 -17.237 36.499 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 -1.345 -13.112 38.391 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 -1.875 -13.912 38.421 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 -1.955 -12.410 38.622 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 18.873 -10.230 24.212 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 18.782 -10.389 23.249 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 19.131 -9.306 24.275 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 17.045 -11.363 25.952 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 17.697 -10.933 25.352 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 17.587 -11.929 26.525 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 14.630 -5.912 25.186 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 14.423 -5.980 26.119 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 13.806 -6.116 24.741 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 15.343 -12.086 23.878 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 14.766 -12.766 24.291 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 15.850 -11.713 24.632 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 19.559 -14.201 20.844 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 18.895 -13.878 21.479 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 19.165 -14.023 19.980 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 16.168 -11.173 28.724 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 16.867 -11.843 28.590 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 16.038 -10.792 27.839 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 16.333 -10.584 34.115 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 15.841 -11.432 34.168 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 16.484 -10.458 33.153 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 -0.306 -17.452 38.143 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 -0.657 -17.047 37.313 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 -0.473 -18.413 38.024 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 -1.583 -15.911 30.545 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 -1.636 -14.926 30.534 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 -0.828 -16.113 29.977 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 -0.904 -16.867 23.099 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 -0.807 -17.468 23.869 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 -1.652 -17.259 22.581 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 1.406 -16.358 25.649 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 2.388 -16.310 25.545 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 1.167 -17.227 25.280 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 5.112 -17.278 20.286 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 5.123 -16.658 19.529 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 5.527 -18.086 19.939 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 10.976 -19.471 36.532 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 11.806 -19.995 36.462 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 11.267 -18.617 36.906 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 13.435 -11.924 36.618 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 12.814 -12.657 36.467 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 13.256 -11.303 35.883 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 9.813 -16.920 39.243 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 9.092 -16.806 38.589 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 9.363 -17.199 40.046 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 8.033 -16.792 37.135 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 7.396 -16.080 36.874 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 8.602 -16.890 36.362 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 11.940 -16.906 37.530 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 11.230 -16.920 38.215 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 12.676 -16.426 37.958 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 21.238 -12.626 38.944 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 20.537 -12.840 39.567 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 20.764 -12.248 38.170 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 16.778 -6.796 36.169 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 16.789 -6.689 37.124 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 16.035 -7.417 36.006 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 20.090 -4.494 33.368 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 19.334 -4.809 32.821 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 19.689 -4.271 34.215 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 16.505 -10.200 37.872 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 16.413 -11.126 37.574 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 15.632 -9.972 38.210 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 16.018 -12.667 36.616 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 15.093 -12.420 36.844 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 15.960 -12.940 35.676 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 13.453 -20.666 36.235 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 13.873 -19.771 36.258 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 13.995 -21.166 35.588 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 -0.258 -20.831 40.159 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 -0.477 -21.352 40.935 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 0.697 -20.612 40.276 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 16.663 -16.429 37.853 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 16.651 -17.042 38.630 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 16.623 -17.023 37.078 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 2.168 -17.571 39.265 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 2.226 -16.725 39.724 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 1.280 -17.550 38.834 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 3.565 7.532 -9.323 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 3.561 8.214 -8.626 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 2.779 7.745 -9.864 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 13.647 1.865 -4.489 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 14.196 2.328 -3.823 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 13.278 2.590 -5.038 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 12.633 3.872 -6.099 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 11.958 4.127 -6.755 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 12.783 4.691 -5.582 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 13.791 0.012 -10.823 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 13.646 -0.953 -10.788 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 13.767 0.222 -11.782 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 17.239 1.486 -5.414 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 17.591 1.849 -4.583 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 17.093 2.280 -5.975 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 3.330 4.871 -8.517 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 3.762 4.843 -7.634 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 3.471 5.791 -8.821 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 8.653 8.736 -4.252 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 8.209 9.309 -3.588 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 8.089 8.815 -5.051 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 13.220 -2.745 -10.567 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 13.881 -3.390 -10.853 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 13.451 -2.567 -9.620 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 2.254 9.614 -7.956 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 1.586 9.311 -8.591 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 1.804 9.549 -7.081 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 4.053 12.505 -4.210 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 3.299 11.910 -4.001 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 4.086 12.515 -5.181 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 14.045 7.509 -6.795 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 14.492 8.322 -7.042 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 13.406 7.352 -7.527 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 6.150 6.661 -9.787 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 5.268 7.000 -9.523 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 6.140 6.702 -10.748 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 5.391 12.089 -1.913 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 5.273 12.892 -1.391 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 4.953 12.297 -2.777 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 7.110 6.006 -6.033 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 6.984 6.964 -6.211 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 7.618 5.985 -5.195 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 7.047 8.719 -6.528 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 6.157 9.137 -6.629 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 7.474 8.874 -7.377 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 11.139 7.887 -3.408 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 10.930 7.952 -2.455 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 10.370 8.301 -3.847 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 4.850 10.133 -7.252 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 3.907 10.018 -7.495 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 4.939 11.094 -7.091 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 3.708 2.670 -10.154 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 2.891 2.241 -9.867 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 3.732 3.503 -9.641 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 7.829 5.029 -8.429 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 7.639 5.236 -7.484 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 7.193 5.601 -8.927 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 9.906 5.293 -1.396 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 10.013 4.847 -0.531 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 9.924 6.250 -1.176 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 11.196 2.518 -12.610 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 10.255 2.249 -12.612 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 11.532 2.213 -13.468 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 4.511 5.073 -6.027 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 5.472 5.268 -6.057 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 4.103 5.927 -5.735 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 12.098 7.059 -8.664 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 11.625 6.272 -8.322 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 11.437 7.526 -9.182 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 8.471 1.927 -12.241 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 7.560 1.617 -12.147 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 8.452 2.837 -11.854 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 2.278 10.635 -3.211 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 1.429 10.482 -2.743 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 2.951 10.254 -2.612 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 8.499 4.316 -11.014 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 9.424 4.625 -11.026 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 8.156 4.624 -10.154 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 7.949 2.217 -8.358 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 7.376 1.907 -9.091 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 7.885 3.193 -8.403 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 5.158 12.857 -6.834 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 5.834 13.243 -6.264 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 5.082 13.479 -7.568 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 1.301 9.264 -5.462 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 0.733 8.634 -4.971 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 1.646 9.864 -4.768 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 10.626 0.267 -17.237 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 9.882 -0.069 -16.684 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 10.270 0.279 -18.129 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 8.057 3.321 -3.994 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 8.818 3.061 -3.464 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 8.103 4.299 -4.014 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 9.397 -0.499 -11.383 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 9.265 0.373 -11.809 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 10.178 -0.876 -11.838 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 11.274 4.584 -10.821 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 11.333 3.821 -11.447 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 11.964 5.189 -11.122 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 8.395 -1.381 -8.325 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 7.825 -1.189 -9.090 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 8.655 -2.317 -8.453 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 4.225 9.673 -1.399 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 4.872 9.201 -0.834 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 4.603 10.574 -1.489 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 8.507 6.040 -3.686 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 8.661 7.003 -3.817 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 9.065 5.812 -2.914 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 10.015 7.984 -0.868 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 9.470 8.703 -0.503 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 10.517 7.645 -0.086 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 7.591 1.313 -5.784 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 7.663 2.084 -5.182 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 7.567 1.709 -6.680 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 10.709 4.728 -8.116 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 10.882 4.523 -9.060 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 9.735 4.768 -8.056 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 13.809 6.686 1.668 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 14.275 6.776 2.502 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 14.525 6.600 1.002 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 15.467 2.680 -2.621 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 16.367 2.998 -2.860 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 15.288 3.101 -1.752 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 12.907 6.255 -4.695 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 12.289 6.915 -4.293 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 13.370 6.763 -5.402 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 17.332 -0.984 -11.902 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 18.194 -1.212 -11.490 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 17.454 -1.193 -12.830 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 16.861 3.710 -6.930 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 16.181 4.383 -6.806 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 16.939 3.624 -7.886 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 3.490 2.942 -4.624 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 3.871 3.684 -5.146 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 2.533 3.154 -4.571 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 13.675 -0.062 -13.578 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 14.549 -0.123 -13.980 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 13.148 0.463 -14.228 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 4.202 0.459 -5.399 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 3.950 1.404 -5.304 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 3.616 0.127 -6.109 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.185 0.797 -11.354 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 22.106 1.044 -11.213 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 20.823 1.522 -11.877 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 6.057 1.250 -10.188 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 5.327 1.874 -10.404 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 5.690 0.710 -9.441 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 12.312 1.418 -15.415 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 12.660 2.122 -15.973 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 11.698 0.924 -16.011 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 1.674 10.185 2.212 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 1.951 11.097 2.105 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 0.710 10.203 2.042 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 11.140 6.705 1.197 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 10.947 5.762 1.361 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 12.100 6.791 1.402 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 3.583 6.068 5.567 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 3.590 5.535 6.368 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 3.666 6.975 5.883 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 10.497 3.957 1.057 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 11.243 3.618 0.514 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 10.392 3.289 1.758 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 6.036 1.097 3.651 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 6.920 1.243 3.271 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 5.497 1.834 3.290 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 4.663 2.983 2.144 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 4.773 3.275 1.223 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 4.203 3.733 2.575 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 3.177 5.286 2.962 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 2.882 6.102 2.504 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 3.372 5.583 3.881 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 8.136 0.542 1.783 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 8.290 0.604 0.831 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 7.671 -0.307 1.895 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 1.571 3.087 3.440 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 2.085 3.879 3.176 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 0.922 3.423 4.063 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 9.220 11.658 -0.894 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 9.692 12.283 -1.451 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 8.643 11.168 -1.515 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 12.325 4.613 -2.594 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 12.472 5.130 -3.413 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 11.473 4.951 -2.248 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 12.516 2.948 -0.483 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 12.431 3.375 -1.368 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 13.432 3.175 -0.200 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 15.909 6.358 -0.047 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 15.485 6.267 -0.937 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 16.781 6.717 -0.239 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 2.878 7.571 -2.508 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 3.365 8.310 -2.079 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 2.774 6.905 -1.792 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 2.341 7.565 1.581 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 1.535 7.659 1.027 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 2.439 8.448 1.994 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 11.534 0.620 0.487 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 11.214 0.915 1.365 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 11.793 1.455 0.033 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 10.470 1.629 2.823 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 9.636 1.145 2.635 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 10.294 2.084 3.681 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 10.084 2.855 5.185 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 9.772 3.682 5.566 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 10.587 2.429 5.913 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 6.433 8.605 -0.077 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 6.236 7.842 0.475 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 7.230 9.008 0.344 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 7.353 10.170 -2.278 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 7.003 9.484 -1.674 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 6.672 10.877 -2.257 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 8.720 9.716 0.912 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 9.302 9.741 1.682 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 8.914 10.560 0.436 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 14.812 5.937 -2.457 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 14.594 6.348 -3.304 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 14.103 5.281 -2.324 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 15.101 3.620 -0.065 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 15.595 2.993 0.507 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 15.498 4.491 0.133 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 15.386 0.579 3.726 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 14.511 0.644 4.151 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 15.517 -0.377 3.593 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 14.154 -0.190 0.727 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 13.290 0.265 0.713 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 14.798 0.521 0.909 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 2.748 0.931 2.219 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 2.162 1.545 2.720 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 3.588 1.422 2.140 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 6.113 -1.367 2.516 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 6.411 -1.861 3.298 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 5.835 -0.496 2.881 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 8.471 -2.193 6.402 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 7.618 -1.766 6.159 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 8.205 -3.060 6.783 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 12.670 0.534 4.642 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 12.066 0.901 3.970 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 12.393 0.970 5.476 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 11.152 -1.194 -1.500 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 11.253 -0.556 -0.759 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 10.801 -2.002 -1.074 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 22.556 -40.962 11.465 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 23.112 -41.563 10.965 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 22.273 -41.489 12.244 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 24.683 -40.066 18.785 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 24.695 -39.216 18.289 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.401 -39.812 19.685 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 20.732 -35.044 14.743 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 20.664 -36.022 14.693 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 21.688 -34.866 14.699 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 19.612 -44.395 13.397 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 19.242 -43.752 12.753 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 20.539 -44.111 13.507 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 18.353 -41.024 9.650 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 18.106 -40.076 9.494 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 18.926 -41.242 8.909 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 27.668 -37.953 16.978 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 28.314 -37.461 17.521 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 27.735 -38.871 17.300 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 20.271 -40.593 14.658 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 20.240 -40.442 15.620 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 19.327 -40.586 14.386 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 18.005 -44.785 17.597 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 18.046 -44.219 16.797 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 17.679 -44.182 18.299 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 21.811 -42.586 13.584 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 21.294 -41.838 13.960 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 22.125 -43.080 14.376 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 17.609 -40.845 14.181 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 17.545 -41.656 14.725 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 16.678 -40.627 13.964 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 17.803 -43.372 15.240 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 18.615 -43.717 14.809 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 17.081 -43.660 14.646 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 20.435 -42.100 17.520 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 20.724 -41.229 17.818 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 20.378 -42.630 18.344 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 22.057 -43.768 16.026 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 22.432 -44.245 16.790 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 21.402 -43.163 16.427 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 21.957 -38.292 11.032 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 21.009 -38.386 11.171 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 22.314 -39.193 11.203 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 25.059 -37.581 17.689 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 24.794 -36.692 17.369 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 25.943 -37.727 17.281 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 20.302 -37.757 14.845 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 20.509 -38.605 14.417 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 20.154 -37.995 15.776 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.901 -37.419 20.420 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.188 -36.858 20.799 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.805 -37.307 19.450 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.577 -35.035 11.525 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.529 -35.245 11.468 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 19.554 -34.129 11.908 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 22.372 -47.188 27.433 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 22.223 -46.226 27.326 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 23.318 -47.252 27.690 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 19.111 -49.186 24.222 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 19.390 -49.907 24.829 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 19.836 -48.523 24.291 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 21.065 -47.446 24.987 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 21.829 -47.092 24.488 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 21.384 -47.487 25.907 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 27.480 -44.686 26.454 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 26.770 -44.839 25.795 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 27.948 -43.886 26.120 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 27.626 -45.829 28.856 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 28.440 -46.342 28.837 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 27.583 -45.411 27.956 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 18.058 -47.646 26.329 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 18.326 -48.262 25.620 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 18.676 -47.841 27.057 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 24.767 -44.297 22.077 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 24.923 -43.910 21.198 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.795 -44.310 22.163 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 28.579 -42.397 25.432 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 28.849 -42.292 24.498 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 28.467 -41.481 25.750 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 24.934 -46.521 28.269 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 24.668 -45.597 28.414 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 25.894 -46.518 28.427 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 17.190 -43.119 19.565 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 16.418 -43.560 19.970 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 17.007 -42.151 19.698 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 27.031 -53.198 14.924 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 27.594 -53.340 14.163 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 27.429 -53.724 15.618 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 25.335 -44.831 24.690 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 25.343 -44.593 23.734 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 24.904 -44.060 25.124 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 23.378 -46.550 23.852 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 23.848 -47.247 23.381 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 24.091 -46.044 24.305 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.684 -43.672 30.246 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.524 -43.999 31.141 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 27.126 -44.427 29.791 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 21.485 -45.571 32.102 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 21.122 -44.882 32.714 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 22.189 -45.102 31.616 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 29.097 -41.720 22.799 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 29.496 -42.216 22.077 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 29.443 -40.802 22.680 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 22.035 -44.365 22.842 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 21.122 -44.617 22.580 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.389 -45.170 23.274 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 24.360 -39.659 30.475 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.053 -39.969 29.594 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 25.223 -40.113 30.599 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 30.903 -38.802 19.704 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 30.467 -38.049 19.274 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 30.810 -39.534 19.058 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 26.288 -41.438 22.960 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 26.167 -41.180 23.895 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 27.244 -41.628 22.885 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 26.726 -40.906 30.484 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 26.762 -40.891 31.471 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 26.726 -41.860 30.262 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 22.249 -44.454 27.169 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 22.507 -43.965 26.369 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 22.939 -44.213 27.827 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 27.461 -40.274 18.473 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 27.555 -39.688 19.259 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 26.504 -40.475 18.442 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 19.333 -42.557 30.049 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 19.852 -42.568 30.887 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 19.422 -43.461 29.701 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 23.250 -43.509 31.426 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 22.382 -43.049 31.582 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 23.680 -43.496 32.303 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.806 -46.542 19.722 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 19.075 -47.356 19.245 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.694 -45.879 19.011 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.191 -42.732 25.972 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 24.541 -41.865 25.664 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.341 -42.718 26.932 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.857 -36.344 31.947 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.634 -35.970 32.824 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 26.541 -37.024 32.140 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 27.450 -38.417 20.457 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 27.543 -38.761 21.361 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 26.574 -37.968 20.462 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 19.923 -43.323 19.957 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 18.964 -43.217 19.789 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 19.960 -43.891 20.753 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 30.003 -39.206 22.250 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 29.740 -38.289 22.456 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 30.445 -39.135 21.373 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 26.605 -40.778 33.202 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 26.120 -40.920 34.031 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 26.890 -39.845 33.247 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 29.049 -36.714 19.072 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 28.517 -37.294 19.666 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 29.365 -35.995 19.660 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 22.566 -44.343 18.719 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 23.276 -43.784 19.092 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 21.810 -44.188 19.302 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 24.829 -41.300 35.546 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 24.311 -41.630 36.310 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 24.486 -41.816 34.794 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 30.100 -40.686 17.877 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 29.145 -40.690 18.104 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 30.125 -40.945 16.954 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 18.356 -45.415 34.141 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 18.703 -46.173 33.632 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 19.080 -44.749 34.104 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 24.356 -42.581 19.861 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.597 -41.937 19.164 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 24.055 -42.026 20.596 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 21.155 -47.955 33.397 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 21.361 -47.121 32.918 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 20.196 -48.091 33.239 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 23.465 -49.357 32.895 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 23.414 -49.431 31.942 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 22.632 -48.916 33.147 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.780 -38.700 22.751 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 25.263 -38.278 22.033 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.605 -39.656 22.639 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 20.117 -48.571 28.148 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 19.918 -48.201 29.032 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 20.981 -48.163 27.911 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 19.812 -50.673 26.402 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 19.878 -51.468 26.934 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 19.926 -49.941 27.046 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.712 -38.294 32.525 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.283 -37.801 33.164 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 28.332 -38.647 31.876 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.610 -40.056 27.876 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 26.760 -40.304 28.813 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.505 -40.078 27.473 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 29.107 -36.585 22.560 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 29.713 -35.970 22.112 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 28.209 -36.248 22.318 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 17.575 -43.726 47.421 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 17.917 -43.040 48.012 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 17.176 -43.234 46.694 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 15.829 -46.428 44.621 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 16.604 -46.490 44.021 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 16.214 -46.544 45.518 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 16.719 -43.680 40.962 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 17.151 -43.021 40.390 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 17.351 -44.424 40.980 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 19.069 -45.114 40.801 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 19.062 -45.160 39.815 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 19.771 -44.458 41.002 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 29.848 -50.925 41.313 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 30.267 -50.255 40.774 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 29.402 -51.494 40.685 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 20.459 -38.254 46.048 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 21.210 -38.886 45.937 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 20.787 -37.430 45.647 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 18.111 -46.177 43.132 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 18.913 -46.543 43.515 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 18.385 -45.887 42.235 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.158 -42.139 39.956 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 23.629 -41.277 40.077 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.666 -42.760 40.492 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 21.181 -44.629 36.429 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 21.518 -45.546 36.281 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 20.927 -44.319 35.527 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 20.733 -42.919 41.133 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 21.551 -42.597 40.706 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 20.689 -42.410 41.979 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 24.269 -37.782 41.896 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 24.343 -36.913 41.454 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 24.441 -37.584 42.845 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 17.161 -46.446 47.044 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 17.339 -45.491 47.190 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 17.316 -46.848 47.901 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 24.262 -43.796 28.880 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 23.807 -43.683 29.749 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 25.187 -43.542 29.066 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 26.290 -39.156 36.576 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 25.514 -38.599 36.823 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 25.888 -39.949 36.158 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 21.955 -39.812 38.064 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 21.994 -38.895 38.409 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.679 -40.265 38.517 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 24.520 -39.806 40.048 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 25.453 -39.658 39.787 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 24.358 -39.127 40.741 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 27.128 -39.260 39.169 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 28.015 -39.633 39.208 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 26.896 -39.287 38.213 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.434 -43.391 34.239 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 22.472 -43.446 34.065 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 23.519 -43.636 35.173 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 22.118 -47.116 35.835 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 22.751 -47.777 36.130 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 21.765 -47.480 34.996 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 26.823 -36.476 39.374 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 26.919 -37.428 39.563 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 27.215 -36.371 38.488 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 20.681 -34.600 47.867 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 19.889 -34.180 48.266 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 21.254 -33.834 47.628 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.925 -39.630 47.357 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 25.544 -39.941 48.020 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 25.106 -38.670 47.290 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 22.745 -39.639 45.652 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 23.212 -39.041 45.042 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 23.418 -39.857 46.331 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 20.693 -41.289 43.343 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 21.113 -40.453 43.032 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 20.868 -41.300 44.291 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 24.159 -37.368 44.628 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 23.339 -36.842 44.734 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 24.654 -37.208 45.456 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 19.489 -24.703 11.844 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 19.402 -25.646 12.074 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 20.010 -24.325 12.582 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 16.840 -27.597 6.865 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 16.587 -28.193 6.153 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 16.654 -26.701 6.505 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 18.386 -29.461 8.646 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 18.850 -30.129 8.091 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 18.055 -28.807 8.007 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 22.241 -31.142 13.877 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 21.341 -31.180 14.257 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 22.169 -30.469 13.172 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 21.948 -26.103 13.018 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.081 -26.537 13.112 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 21.819 -25.225 13.423 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 20.970 -33.136 9.274 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 20.815 -32.386 9.887 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 21.526 -33.752 9.785 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 19.351 -27.350 12.884 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 18.539 -27.362 12.335 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 19.034 -27.618 13.781 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 23.746 -24.158 11.570 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 23.137 -24.349 10.853 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 23.593 -24.873 12.208 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 20.216 -30.746 10.536 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 19.675 -30.199 9.936 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 20.755 -30.096 11.034 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 22.605 -22.075 15.496 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 22.958 -21.602 16.277 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 22.601 -21.393 14.790 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 24.941 -19.226 15.045 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 25.397 -18.367 14.906 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 25.052 -19.399 15.998 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 23.740 -20.614 8.308 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 23.946 -20.806 9.250 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 24.334 -21.187 7.819 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 19.526 -30.685 14.624 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 18.542 -30.722 14.577 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 19.709 -29.813 15.045 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 24.204 -30.649 15.750 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 23.875 -31.252 16.444 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 23.604 -30.810 14.993 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 16.824 -30.260 14.470 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 16.001 -30.137 13.966 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 17.086 -29.348 14.734 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 16.393 -29.513 10.555 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 16.607 -28.632 10.930 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 17.130 -29.692 9.932 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 26.142 -24.436 17.003 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 26.457 -23.556 17.282 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 25.394 -24.249 16.427 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 16.903 -26.936 11.584 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 16.681 -26.288 10.901 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 16.521 -26.557 12.408 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 24.413 -27.850 19.211 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 24.775 -27.832 18.310 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 23.460 -27.979 19.076 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 22.581 -19.912 13.810 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 22.224 -19.155 13.293 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 23.426 -19.574 14.179 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 19.443 -32.534 12.509 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 19.617 -31.876 11.807 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 19.473 -32.014 13.334 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.248 -35.516 10.960 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 22.167 -36.489 10.833 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 22.988 -35.421 11.569 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 20.588 -19.286 4.252 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 21.045 -19.386 5.114 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 20.291 -18.355 4.247 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 31.737 -21.936 18.425 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 31.235 -22.274 19.203 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 32.524 -21.543 18.807 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 24.655 -28.049 16.346 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 25.626 -28.041 16.397 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 24.440 -28.970 16.064 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 22.154 -28.118 17.504 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 21.392 -28.089 16.879 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 22.936 -27.955 16.936 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.224 -28.923 16.922 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 27.442 -29.310 17.807 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 27.029 -29.693 16.373 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 20.720 -30.494 17.589 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 20.063 -30.034 17.038 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 21.347 -29.790 17.843 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.135 -33.632 14.970 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 22.905 -33.222 15.832 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 22.934 -32.935 14.318 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.548 -28.960 12.256 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 22.180 -28.229 12.353 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 20.692 -28.570 12.535 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 19.520 -33.642 16.694 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 19.890 -32.752 16.619 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 19.940 -34.141 15.954 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 24.575 -34.938 17.269 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 24.313 -34.544 16.416 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 23.822 -34.732 17.868 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 22.631 -32.413 17.338 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 22.533 -33.093 18.043 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 21.897 -31.780 17.510 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 26.651 -34.812 19.165 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 27.339 -35.330 18.716 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 25.909 -34.794 18.523 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 27.682 -32.630 20.603 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 27.150 -33.289 20.107 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 27.137 -32.419 21.382 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 19.633 -20.658 8.247 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 18.826 -21.023 7.867 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 19.954 -21.366 8.855 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 15.999 -26.057 14.035 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 15.120 -26.450 14.154 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 16.609 -26.673 14.515 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.112 -35.143 8.815 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 19.032 -35.313 9.779 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 19.754 -34.409 8.763 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 12.823 -31.903 11.878 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 12.156 -32.063 12.584 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 13.436 -31.244 12.273 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 21.018 -23.536 13.832 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 20.865 -22.723 13.300 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 21.617 -23.234 14.553 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 27.949 -21.063 15.199 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 27.293 -21.218 15.897 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 28.735 -21.572 15.498 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.579 -18.669 14.003 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 28.506 -18.916 13.071 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 28.361 -19.499 14.488 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 18.495 -19.219 11.775 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 17.935 -19.812 11.233 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 17.883 -18.911 12.487 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 20.602 -21.230 12.387 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 19.914 -20.548 12.270 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 21.362 -20.740 12.771 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.725 -15.382 12.475 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 24.762 -15.253 12.354 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.123 -14.625 12.039 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 26.294 -20.592 12.978 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 26.948 -20.981 13.585 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 25.649 -20.163 13.570 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 20.182 -22.633 10.064 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 19.996 -23.516 10.439 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 20.557 -22.128 10.818 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 24.756 -21.572 10.766 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 24.487 -22.437 11.135 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.353 -21.199 11.445 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 21.052 -19.599 1.548 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 21.094 -19.471 2.520 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 21.971 -19.612 1.270 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 27.567 -30.554 28.575 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 27.258 -30.447 29.499 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 27.325 -31.477 28.350 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 27.261 -26.173 23.694 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 27.235 -26.719 24.509 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 26.743 -26.682 23.054 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 26.986 -27.811 25.951 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 26.282 -28.470 26.155 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 27.720 -28.071 26.523 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 25.464 -29.905 26.956 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 26.208 -30.150 27.550 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 24.745 -30.509 27.217 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 30.264 -22.832 20.525 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 30.361 -23.356 21.335 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 29.299 -22.802 20.378 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 23.585 -31.393 30.440 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 22.852 -30.824 30.771 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 23.500 -31.344 29.462 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 21.430 -28.729 33.872 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 22.164 -28.576 34.475 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 20.908 -29.442 34.306 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 25.368 -40.335 25.448 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 25.710 -40.245 26.369 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 25.062 -39.445 25.223 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 26.362 -28.270 21.129 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 25.573 -28.153 20.549 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 26.928 -27.496 20.916 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 25.906 -25.276 26.702 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 25.227 -25.154 25.998 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 26.317 -26.134 26.486 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 22.328 -32.665 34.096 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.248 -33.396 34.731 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 21.672 -32.004 34.405 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 29.065 -24.359 22.601 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 28.596 -25.056 23.110 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 28.397 -24.038 21.970 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 20.023 -26.620 32.318 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 20.811 -27.064 32.673 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 19.319 -27.298 32.388 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 26.348 -23.264 23.972 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 25.593 -23.180 23.346 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 26.492 -24.225 24.041 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 27.366 -22.043 17.887 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 28.276 -22.199 17.539 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 27.414 -22.344 18.816 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 28.641 -21.818 23.717 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 29.179 -22.587 23.456 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 27.782 -22.211 23.985 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 21.497 -29.857 31.385 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 21.514 -29.431 32.267 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 20.637 -29.596 31.012 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 25.512 -37.738 28.696 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 25.914 -38.540 28.293 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 25.118 -38.064 29.522 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 29.765 -34.553 20.695 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 30.539 -34.007 20.522 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 29.024 -33.911 20.741 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 26.413 -30.979 22.865 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 26.608 -30.673 23.760 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 26.275 -30.159 22.357 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 27.625 -36.645 36.664 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 27.017 -35.958 36.324 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 27.147 -37.487 36.516 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 22.532 -34.536 19.028 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 22.625 -34.171 19.941 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 22.095 -35.401 19.156 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 27.705 -32.729 37.537 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 27.295 -32.322 38.308 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 28.608 -32.908 37.814 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 25.367 -35.760 24.719 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 24.657 -36.416 24.559 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 26.192 -36.268 24.599 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 22.895 -33.140 21.380 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 23.703 -33.428 21.856 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 22.590 -32.376 21.875 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 20.361 -30.970 35.096 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 19.529 -31.104 34.565 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 20.117 -31.271 35.985 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 23.155 -31.622 27.673 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 23.033 -32.580 27.847 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 22.882 -31.516 26.738 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 27.949 -26.190 20.272 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 28.027 -26.292 19.293 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 28.856 -26.036 20.567 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 27.547 -23.411 20.382 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 27.348 -24.357 20.226 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 26.708 -23.046 20.758 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 26.175 -30.605 30.943 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 26.199 -30.482 31.894 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 25.263 -30.916 30.762 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 24.049 -25.121 24.688 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 23.111 -25.220 24.878 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 24.071 -24.644 23.821 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 25.010 -24.289 29.113 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 25.360 -24.652 28.272 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 24.603 -25.044 29.543 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 30.046 -25.217 16.231 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 29.308 -25.632 16.728 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 30.546 -25.961 15.885 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 19.849 -24.442 30.281 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 19.932 -25.179 30.909 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 18.948 -24.546 29.905 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 25.012 -35.427 27.416 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 25.130 -35.505 26.442 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 25.252 -36.324 27.760 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 25.156 -33.531 22.954 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 25.536 -32.661 23.189 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 25.179 -34.042 23.790 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 26.263 -32.915 28.142 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 25.990 -33.654 27.578 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 25.909 -33.145 29.019 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 28.605 -39.694 26.087 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 28.100 -38.994 25.612 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.525 -39.437 25.972 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 29.760 -22.531 16.674 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 29.928 -23.477 16.447 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 30.558 -22.263 17.190 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 18.196 -28.691 32.640 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 18.146 -29.549 33.141 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 18.440 -28.960 31.734 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 27.959 -26.373 17.563 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 27.674 -27.253 17.230 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 27.224 -25.766 17.307 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 27.646 -30.041 19.359 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 27.749 -30.934 19.740 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 27.233 -29.521 20.074 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 22.530 -34.269 27.949 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 23.377 -34.696 27.699 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 21.873 -34.993 27.897 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 25.074 -34.569 30.043 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 25.085 -34.972 29.149 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 25.530 -35.230 30.610 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 23.431 -37.658 32.076 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 24.294 -37.208 32.091 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 23.593 -38.460 31.533 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 24.451 -35.099 33.947 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 23.663 -35.268 34.505 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 25.108 -34.716 34.572 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 29.036 -36.732 34.255 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 28.716 -36.781 35.179 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 29.454 -35.868 34.197 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 22.063 -38.030 35.848 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 21.444 -38.127 35.085 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 21.830 -38.772 36.439 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 24.272 -37.564 37.277 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 23.595 -37.736 36.582 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 23.754 -37.557 38.110 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.978 -25.267 34.442 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 19.101 -24.316 34.328 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 19.410 -25.662 33.650 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 21.090 -21.927 30.019 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 20.317 -21.450 30.337 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 20.816 -22.870 30.046 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 18.745 -17.409 30.546 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 17.948 -16.871 30.387 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 18.499 -17.981 31.304 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 21.004 -16.783 29.167 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 20.263 -17.001 29.784 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 21.175 -17.614 28.706 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 25.391 -21.601 28.921 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 25.186 -22.525 29.192 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 25.866 -21.709 28.068 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 26.416 -19.460 30.345 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 26.096 -20.323 30.005 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 26.506 -18.915 29.556 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 26.616 -22.557 26.652 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 26.570 -23.496 26.904 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 26.466 -22.565 25.691 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 27.509 -37.666 24.519 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 26.876 -38.071 23.877 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 28.214 -37.290 23.951 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 26.784 -35.448 21.854 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 26.613 -35.359 20.894 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 26.104 -34.881 22.270 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 21.244 -29.139 52.140 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 21.073 -28.845 51.229 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 22.197 -29.199 52.193 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 18.954 -32.746 42.873 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 19.817 -32.865 43.333 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 19.192 -32.701 41.935 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 21.793 -35.921 44.600 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.966 -35.779 43.645 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 21.510 -35.046 44.920 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 21.850 -32.222 47.477 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 21.077 -31.699 47.178 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 22.379 -31.584 48.012 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.005 -36.066 48.418 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 22.703 -36.229 49.322 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.241 -35.636 47.987 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 16.263 -26.710 36.773 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 15.542 -27.267 37.160 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 16.220 -26.896 35.812 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 23.259 -30.135 48.467 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 22.610 -29.528 48.881 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 23.544 -29.667 47.659 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 23.390 -31.802 45.277 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 22.991 -32.110 46.118 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 23.750 -30.922 45.494 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 21.074 -28.783 49.358 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 20.703 -28.351 48.564 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 20.397 -29.457 49.602 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 17.475 -27.217 46.566 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 16.646 -26.867 46.950 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 17.170 -27.906 45.935 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 25.247 -36.882 47.183 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 24.411 -36.604 47.638 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 25.848 -36.143 47.324 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 24.006 -29.125 45.935 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 24.861 -28.710 45.780 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 23.428 -28.760 45.224 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 21.439 -33.140 43.939 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 22.174 -32.605 44.322 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 21.874 -33.681 43.246 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 19.049 -33.077 49.449 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 19.225 -32.117 49.568 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 19.205 -33.460 50.337 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 22.169 -35.206 35.557 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.312 -34.807 35.844 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 22.019 -36.175 35.637 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 20.518 -33.571 40.355 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 20.554 -32.860 39.700 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 19.702 -34.069 40.121 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 19.777 -36.564 37.322 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 18.943 -36.930 36.994 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 19.742 -35.623 37.058 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 21.905 -39.043 42.472 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 21.393 -38.493 41.850 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 22.817 -38.699 42.396 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 22.582 -28.007 43.863 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 21.994 -28.417 43.189 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 22.875 -27.191 43.449 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 19.115 -30.436 50.223 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 18.394 -29.764 50.138 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 19.032 -30.757 51.146 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 19.846 -28.516 39.109 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 20.310 -29.145 38.544 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.551 -27.808 38.489 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 18.677 -31.692 52.644 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 19.374 -31.319 53.199 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 18.945 -32.629 52.517 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 20.793 -28.628 41.832 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 19.977 -29.011 42.208 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 20.579 -28.492 40.889 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 22.293 -34.878 42.000 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 21.697 -34.457 41.337 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 23.125 -35.039 41.503 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 19.933 -33.954 36.456 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 19.201 -33.575 35.902 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 19.931 -33.393 37.258 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 16.545 -31.899 49.546 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 16.871 -31.113 49.054 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 17.285 -32.539 49.486 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 18.979 -26.768 37.125 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 19.193 -26.322 36.289 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 17.999 -26.806 37.129 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 26.199 -34.348 35.915 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 25.471 -34.401 36.573 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 26.834 -33.712 36.316 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 16.751 -26.828 34.055 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 17.171 -27.552 33.538 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 17.503 -26.240 34.294 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 19.961 -30.584 46.261 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 20.212 -30.698 45.333 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.127 -29.631 46.441 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 15.876 -31.614 52.158 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 16.753 -31.493 52.569 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 16.065 -31.632 51.198 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 20.603 -36.063 50.211 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 20.273 -36.928 49.883 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 20.642 -35.506 49.411 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 24.481 -35.412 40.379 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 24.134 -35.065 39.537 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 25.401 -35.688 40.160 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 14.969 -22.023 34.384 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 15.737 -21.424 34.188 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 15.264 -22.903 34.058 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 22.031 -37.194 38.782 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 21.605 -37.188 39.664 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 21.311 -36.912 38.171 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 24.090 -34.853 37.528 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 24.272 -35.817 37.549 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 23.293 -34.777 36.967 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 20.551 -18.478 33.439 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 19.622 -18.700 33.195 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 20.535 -18.432 34.406 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 21.048 -5.518 -5.344 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 21.448 -6.363 -5.616 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 21.334 -5.405 -4.426 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 22.172 -8.263 -5.314 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 22.936 -8.867 -5.223 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 22.040 -7.910 -4.409 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 21.661 -7.207 -2.860 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 21.707 -6.332 -2.412 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 22.047 -7.830 -2.218 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 15.806 -8.373 -4.244 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 16.104 -8.247 -5.167 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 16.268 -9.184 -3.955 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 16.394 -3.137 -6.194 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 16.422 -2.222 -6.553 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 17.305 -3.479 -6.341 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 19.087 -7.707 -3.599 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 20.016 -7.442 -3.415 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 19.176 -8.576 -4.047 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 24.020 -10.234 -4.597 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 24.924 -10.103 -4.225 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 24.120 -10.978 -5.200 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 17.083 -10.709 -3.647 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 17.566 -11.041 -2.882 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 17.601 -11.041 -4.418 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 18.914 -4.141 -6.313 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 19.781 -4.579 -6.138 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 19.116 -3.477 -7.013 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 25.434 3.002 -2.090 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 25.985 2.563 -2.748 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 25.741 2.646 -1.248 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 22.020 -10.020 -2.587 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 22.769 -10.203 -3.183 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 21.236 -10.109 -3.158 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 20.047 -10.066 -4.611 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 20.665 -9.656 -5.245 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 19.583 -10.756 -5.135 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 16.834 -11.347 0.264 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 17.004 -12.250 -0.043 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 16.385 -11.472 1.134 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 18.720 -3.746 -2.200 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 18.266 -4.248 -2.905 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 18.001 -3.480 -1.590 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 18.963 -2.066 -8.155 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 18.629 -1.205 -7.881 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 19.182 -1.947 -9.098 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 16.902 -14.027 3.324 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 16.397 -13.229 3.065 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 16.633 -14.702 2.678 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 18.351 -10.553 7.883 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 18.271 -10.836 6.963 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 18.605 -11.365 8.361 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 18.789 -13.240 8.927 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 18.566 -13.320 9.875 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 19.359 -14.021 8.752 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 20.278 -14.754 12.698 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 19.579 -14.358 12.141 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 19.790 -15.110 13.473 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 20.211 -15.608 8.985 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 21.039 -15.785 9.481 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 19.666 -16.416 9.139 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 17.105 -10.375 5.029 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 17.600 -9.705 4.511 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 17.642 -11.197 4.931 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 22.492 -16.568 10.204 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.252 -17.122 9.983 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 22.777 -16.077 11.006 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 22.557 -9.451 18.202 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 23.329 -8.886 18.345 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 21.805 -8.818 18.093 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 15.780 -9.257 14.104 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 15.006 -9.531 14.646 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 15.445 -9.270 13.186 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 21.241 -18.219 12.130 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 20.275 -18.295 12.065 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 21.494 -17.704 11.343 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 26.540 -16.087 17.202 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 26.447 -16.318 16.255 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 26.918 -16.882 17.602 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 17.854 -13.962 11.495 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 17.053 -13.416 11.564 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 17.542 -14.866 11.708 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 26.654 -14.054 19.092 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 26.946 -14.719 19.756 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 26.449 -14.593 18.296 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 18.675 -15.618 14.782 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 17.975 -16.315 14.720 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 18.226 -14.872 15.191 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 19.616 -16.661 4.409 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 19.763 -15.745 4.129 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 20.048 -16.711 5.294 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 18.589 -12.617 4.955 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 18.029 -13.230 4.428 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 19.358 -13.163 5.219 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 25.633 -8.006 15.924 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.852 -7.455 15.841 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 25.498 -8.493 16.765 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 21.063 -16.779 6.670 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 21.408 -17.690 6.811 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 20.774 -16.490 7.562 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 22.961 -15.252 12.569 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 22.012 -14.972 12.536 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 23.076 -15.581 13.470 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 17.913 -7.969 12.948 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 18.346 -7.290 13.470 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 17.219 -8.324 13.540 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 29.212 -13.501 18.189 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 29.218 -12.612 17.824 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 28.298 -13.621 18.514 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 18.659 -9.454 1.130 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 19.503 -9.828 0.854 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 17.997 -10.109 0.826 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 16.360 -16.604 17.438 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 16.326 -16.823 16.481 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 17.272 -16.811 17.694 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 18.519 -8.414 3.659 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 18.528 -8.742 2.731 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 19.460 -8.181 3.840 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 29.995 -17.488 16.157 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 30.834 -17.945 16.056 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 29.459 -17.801 15.402 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 26.439 -16.991 14.584 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 26.239 -16.410 13.814 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 27.273 -17.440 14.335 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 21.144 -7.708 4.068 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 21.573 -6.871 3.861 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 21.866 -8.286 4.338 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 14.713 -9.149 3.477 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 14.153 -8.363 3.330 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 14.992 -9.069 4.404 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 19.268 -18.112 9.372 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 19.408 -18.942 8.878 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 18.955 -18.408 10.248 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 20.129 -8.241 18.241 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 20.125 -7.595 18.985 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 19.358 -8.811 18.421 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 26.558 -10.082 -3.566 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 26.680 -9.720 -2.682 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 27.450 -10.287 -3.865 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 28.001 -9.299 16.450 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 27.280 -8.777 16.038 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 28.800 -8.965 16.037 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 22.036 -11.672 16.705 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 22.264 -10.876 17.236 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 22.809 -11.814 16.152 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 25.590 -17.254 24.012 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 25.440 -18.059 23.503 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 24.855 -16.661 23.747 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 27.794 -16.201 20.358 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 28.079 -16.876 21.008 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 28.522 -16.181 19.704 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 31.118 -16.670 21.020 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 30.775 -16.502 20.115 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 30.447 -17.258 21.422 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 16.850 -6.547 4.762 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 17.493 -7.160 4.337 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 16.248 -7.143 5.258 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 17.054 -8.252 8.638 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 17.623 -9.028 8.417 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 17.571 -7.484 8.344 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 19.238 -16.757 17.635 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 19.547 -16.832 16.718 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 19.999 -17.053 18.170 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 16.223 -13.693 8.020 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 16.033 -14.406 8.639 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 17.160 -13.463 8.199 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 15.001 -13.878 11.788 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 15.395 -14.773 11.850 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 14.778 -13.654 12.712 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 21.674 -19.443 6.866 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 20.937 -19.885 7.342 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 22.485 -19.788 7.309 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 17.382 -17.778 3.388 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 17.810 -18.602 3.068 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 18.112 -17.294 3.843 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 16.631 -3.198 -0.473 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 17.125 -2.488 0.003 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 15.710 -3.109 -0.141 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 20.713 -14.204 5.774 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 21.163 -13.643 6.413 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 20.926 -15.115 6.065 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 21.354 -4.573 -2.269 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 20.436 -4.222 -2.200 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 21.903 -3.784 -2.319 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 27.448 -20.510 21.598 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 26.664 -21.086 21.475 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 27.955 -20.946 22.311 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 28.965 -10.443 27.706 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 29.816 -10.873 27.865 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 28.885 -10.424 26.730 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 26.364 -7.024 28.050 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 26.868 -7.740 28.490 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 25.848 -6.618 28.778 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 20.305 -2.997 29.516 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 20.890 -2.973 28.731 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 20.895 -3.267 30.245 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 26.010 -6.145 25.506 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 26.042 -6.535 26.417 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 26.897 -6.287 25.162 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 27.603 -8.984 29.608 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 27.123 -9.743 29.994 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 28.203 -9.397 28.946 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 28.875 -18.167 21.925 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 29.084 -18.365 22.866 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 28.370 -18.955 21.625 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 24.973 -5.917 30.138 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 24.115 -6.290 30.433 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 24.777 -4.968 29.982 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 30.386 -12.702 31.088 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 30.984 -12.850 30.321 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 29.695 -13.383 30.984 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 22.308 -6.604 30.622 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 21.520 -6.876 31.150 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 22.251 -7.142 29.824 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 18.669 -10.681 21.428 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 18.217 -10.288 20.655 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 19.616 -10.687 21.169 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 31.836 -13.305 28.865 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 31.543 -12.912 28.012 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 32.676 -13.721 28.658 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 28.469 -11.860 22.461 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 27.907 -11.679 21.689 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 29.244 -12.314 22.094 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 29.929 -16.113 18.578 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 29.830 -15.159 18.348 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 29.934 -16.570 17.706 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 23.957 -3.435 29.580 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 23.392 -3.064 28.880 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 23.378 -3.453 30.369 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 22.021 -3.996 31.453 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 22.142 -4.942 31.207 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 21.377 -4.023 32.191 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 29.163 -10.866 24.934 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 28.672 -11.201 24.149 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 30.082 -10.788 24.618 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 16.528 -10.825 31.418 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 16.572 -11.804 31.480 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 16.595 -10.648 30.457 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 17.659 -3.338 29.958 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 18.622 -3.203 29.784 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 17.228 -2.699 29.389 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 17.872 -5.224 31.864 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 16.979 -5.568 32.018 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 17.750 -4.543 31.158 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 27.595 -12.648 33.771 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 27.877 -13.572 33.720 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 28.435 -12.135 33.707 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 27.638 -15.758 33.320 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 26.917 -16.349 33.003 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 28.036 -16.246 34.048 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 24.354 -19.977 22.584 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 24.151 -20.196 23.501 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 24.782 -20.795 22.231 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 27.286 -15.285 24.886 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 28.000 -15.362 24.251 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 26.669 -16.008 24.640 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 29.960 -11.324 33.360 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 30.265 -10.428 33.192 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 30.224 -11.824 32.552 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 31.775 -11.450 23.980 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 31.481 -12.209 23.421 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 32.540 -11.098 23.514 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 27.107 -6.969 31.524 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 27.456 -7.653 30.920 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 26.422 -6.511 30.996 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 23.008 -18.405 32.065 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 22.151 -18.590 32.509 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 23.076 -19.099 31.378 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 23.302 -10.075 32.068 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 23.913 -10.740 32.434 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 23.071 -9.515 32.836 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 26.320 -11.453 20.251 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 26.419 -12.329 19.821 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 25.435 -11.490 20.669 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 33.182 -15.003 21.552 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 33.983 -15.383 21.185 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 32.492 -15.691 21.395 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 31.051 -13.496 22.338 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 31.908 -13.874 22.032 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 30.439 -14.241 22.289 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 25.021 -5.877 36.298 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 25.250 -6.102 35.364 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 25.457 -5.037 36.450 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 22.158 -2.882 27.459 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 22.865 -3.440 27.054 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 21.979 -2.210 26.794 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 24.377 -4.214 26.658 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 24.753 -4.283 27.548 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 24.924 -4.820 26.120 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 24.531 -6.269 23.064 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 25.158 -5.673 22.648 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 24.831 -6.320 23.994 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 28.442 -14.697 30.915 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 28.153 -14.896 31.833 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 28.567 -15.568 30.515 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 26.314 -16.450 29.825 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 25.494 -16.782 29.391 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 26.233 -16.761 30.746 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 26.079 -11.219 30.351 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 25.306 -10.775 29.921 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 25.816 -11.298 31.286 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 30.986 -12.246 26.523 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 30.092 -12.134 26.155 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 31.575 -12.020 25.777 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 22.547 -7.630 21.747 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 23.211 -7.059 22.197 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 22.917 -8.515 21.811 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 19.869 -7.140 31.787 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 19.590 -7.443 32.672 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 19.168 -6.515 31.523 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 25.859 -9.572 18.214 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 25.983 -10.143 19.000 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 26.714 -9.632 17.740 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 22.287 -6.166 33.857 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 22.951 -5.477 33.752 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 21.441 -5.716 33.664 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 21.126 -10.774 20.148 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 21.633 -10.175 19.561 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 20.637 -11.355 19.528 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 22.991 -15.717 32.444 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 23.014 -16.667 32.196 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 22.411 -15.691 33.226 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 24.494 -13.906 31.101 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 24.659 -13.248 31.806 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 23.976 -14.614 31.550 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 25.506 -6.501 33.711 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 26.248 -6.572 33.070 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 24.853 -7.129 33.383 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 21.599 -15.498 34.834 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 21.090 -16.211 35.291 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 22.433 -15.454 35.323 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 23.907 -17.489 29.150 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 23.698 -18.434 29.311 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 23.083 -17.024 29.364 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 23.816 -10.117 29.414 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 23.496 -9.948 30.329 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 22.999 -10.183 28.883 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 25.118 -12.003 32.990 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 26.077 -12.157 33.188 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 24.674 -12.166 33.847 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 25.878 -17.670 32.305 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 24.925 -17.837 32.439 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 26.174 -18.425 31.741 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 20.257 -6.769 20.509 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 19.900 -6.124 21.125 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 21.077 -7.093 20.948 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 23.178 -20.124 29.767 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 22.465 -20.800 29.866 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 23.944 -20.635 29.425 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 29.156 -19.230 24.405 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 28.714 -19.131 25.252 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 29.096 -20.191 24.212 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 18.834 -16.038 33.382 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 18.344 -16.839 33.095 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 19.743 -16.351 33.493 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 18.114 -14.445 36.590 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 17.723 -15.203 37.075 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 17.487 -13.712 36.757 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 22.037 -11.353 34.862 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 22.932 -11.652 35.145 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 22.169 -10.404 34.619 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 23.848 -12.829 38.246 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 24.298 -12.944 39.087 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 22.899 -12.719 38.494 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 24.478 -12.269 35.663 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 24.224 -12.543 36.578 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 25.409 -12.017 35.744 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 20.103 -11.554 36.724 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 19.428 -10.860 36.539 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 20.906 -11.232 36.266 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 18.255 -9.840 35.841 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 17.588 -10.130 35.180 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 17.741 -9.758 36.677 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 22.690 -8.759 34.414 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 23.065 -8.638 35.319 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 22.441 -7.844 34.138 1.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1258 23.672 -8.188 36.877 1.00 0.00 WAT1 ATOM 5753 H1 TIP3 1258 24.146 -7.346 36.683 1.00 0.00 WAT1 ATOM 5754 H2 TIP3 1258 23.606 -8.205 37.833 1.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1259 18.483 -19.557 35.985 1.00 0.00 WAT1 ATOM 5756 H1 TIP3 1259 18.068 -19.835 35.127 1.00 0.00 WAT1 ATOM 5757 H2 TIP3 1259 18.005 -20.061 36.649 1.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1260 19.975 -17.275 36.136 1.00 0.00 WAT1 ATOM 5759 H1 TIP3 1260 19.495 -18.137 36.165 1.00 0.00 WAT1 ATOM 5760 H2 TIP3 1260 19.416 -16.678 36.651 1.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1261 24.046 4.121 -14.787 1.00 0.00 WAT1 ATOM 5762 H1 TIP3 1261 24.721 3.805 -15.389 1.00 0.00 WAT1 ATOM 5763 H2 TIP3 1261 23.872 5.019 -15.072 1.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1262 21.522 3.225 -2.887 1.00 0.00 WAT1 ATOM 5765 H1 TIP3 1262 22.206 3.898 -2.699 1.00 0.00 WAT1 ATOM 5766 H2 TIP3 1262 21.910 2.680 -3.575 1.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1263 21.567 5.863 -0.493 1.00 0.00 WAT1 ATOM 5768 H1 TIP3 1263 21.961 6.602 -0.024 1.00 0.00 WAT1 ATOM 5769 H2 TIP3 1263 22.271 5.561 -1.101 1.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1264 19.647 3.992 -1.091 1.00 0.00 WAT1 ATOM 5771 H1 TIP3 1264 20.158 4.769 -0.776 1.00 0.00 WAT1 ATOM 5772 H2 TIP3 1264 20.278 3.520 -1.681 1.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1265 16.242 0.096 -9.610 1.00 0.00 WAT1 ATOM 5774 H1 TIP3 1265 16.773 -0.246 -10.358 1.00 0.00 WAT1 ATOM 5775 H2 TIP3 1265 15.346 0.185 -9.981 1.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1266 16.195 -0.564 -6.988 1.00 0.00 WAT1 ATOM 5777 H1 TIP3 1266 16.265 -0.248 -7.921 1.00 0.00 WAT1 ATOM 5778 H2 TIP3 1266 16.553 0.183 -6.455 1.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1267 23.569 4.995 -2.260 1.00 0.00 WAT1 ATOM 5780 H1 TIP3 1267 24.219 4.265 -2.124 1.00 0.00 WAT1 ATOM 5781 H2 TIP3 1267 24.065 5.664 -2.745 1.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1268 18.420 3.288 1.306 1.00 0.00 WAT1 ATOM 5783 H1 TIP3 1268 19.093 3.645 1.895 1.00 0.00 WAT1 ATOM 5784 H2 TIP3 1268 18.780 3.448 0.406 1.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1269 16.267 1.640 1.396 1.00 0.00 WAT1 ATOM 5786 H1 TIP3 1269 16.041 1.403 2.326 1.00 0.00 WAT1 ATOM 5787 H2 TIP3 1269 17.096 2.171 1.478 1.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1270 17.546 -1.139 1.035 1.00 0.00 WAT1 ATOM 5789 H1 TIP3 1270 17.135 -1.246 1.907 1.00 0.00 WAT1 ATOM 5790 H2 TIP3 1270 17.576 -0.180 0.903 1.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1271 18.033 3.292 -3.301 1.00 0.00 WAT1 ATOM 5792 H1 TIP3 1271 18.380 3.927 -3.939 1.00 0.00 WAT1 ATOM 5793 H2 TIP3 1271 18.511 3.502 -2.471 1.00 0.00 WAT1 END