REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -239.035, 53.6968, 85.8864, 46.6446, 412.872, -350.979, -489.869, 2.34391, 0.369639 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.081224E-03,0.462868,1.33241,41.9598,4.222566E-03,0.268755 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 41, 11 REMARK =============================================================== REMARK DATE:03-Sep-2010 14:08:28 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -9.122 -16.233 -8.901 1.00 33.44 ATOM 2 CB MET 1 -9.764 -16.857 -10.852 1.00 41.11 ATOM 3 HB1 MET 1 -9.381 -17.864 -10.764 1.00 37.13 ATOM 4 HB2 MET 1 -9.639 -16.524 -11.874 1.00 43.44 ATOM 5 CG MET 1 -11.252 -16.885 -10.539 1.00 15.21 ATOM 6 HG1 MET 1 -11.659 -15.896 -10.702 1.00 37.13 ATOM 7 HG2 MET 1 -11.387 -17.162 -9.503 1.00 24.22 ATOM 8 SD MET 1 -12.152 -18.058 -11.571 1.00 54.02 ATOM 9 CE MET 1 -11.375 -19.602 -11.093 1.00 24.43 ATOM 10 HE1 MET 1 -10.317 -19.556 -11.302 1.00 32.02 ATOM 11 HE2 MET 1 -11.817 -20.414 -11.651 1.00 35.34 ATOM 12 HE3 MET 1 -11.525 -19.768 -10.035 1.00 31.15 ATOM 13 C MET 1 -7.458 -16.078 -10.231 1.00 34.44 ATOM 14 O MET 1 -6.765 -15.084 -10.445 1.00 12.02 ATOM 15 N MET 1 -9.399 -14.524 -10.075 1.00 0.03 ATOM 16 HT1 MET 1 -9.298 -14.209 -11.063 1.00 37.13 ATOM 17 HT2 MET 1 -8.821 -13.905 -9.470 1.00 37.13 ATOM 18 HT3 MET 1 -10.395 -14.425 -9.793 1.00 37.13 ATOM 19 CA MET 1 -8.954 -15.937 -9.927 1.00 65.41 ATOM 20 N GLY 2 -6.962 -17.315 -10.241 1.00 25.23 ATOM 21 HN GLY 2 -7.559 -18.076 -10.072 1.00 37.13 ATOM 22 CA GLY 2 -5.545 -17.552 -10.489 1.00 13.41 ATOM 23 HA1 GLY 2 -5.218 -16.916 -11.300 1.00 37.13 ATOM 24 HA2 GLY 2 -5.412 -18.583 -10.779 1.00 70.51 ATOM 25 C GLY 2 -4.686 -17.270 -9.262 1.00 33.51 ATOM 26 O GLY 2 -3.728 -16.497 -9.323 1.00 75.42 ATOM 27 N HIS 3 -5.038 -17.901 -8.141 1.00 12.01 ATOM 28 HN HIS 3 -5.797 -18.522 -8.167 1.00 37.13 ATOM 29 CA HIS 3 -4.326 -17.700 -6.874 1.00 55.12 ATOM 30 HA HIS 3 -4.491 -16.677 -6.569 1.00 45.34 ATOM 31 CB HIS 3 -4.891 -18.633 -5.794 1.00 45.23 ATOM 32 HB1 HIS 3 -4.825 -19.656 -6.140 1.00 37.13 ATOM 33 HB2 HIS 3 -5.927 -18.385 -5.622 1.00 42.23 ATOM 34 CG HIS 3 -4.172 -18.541 -4.479 1.00 30.44 ATOM 35 ND1 HIS 3 -3.451 -19.585 -3.940 1.00 44.01 ATOM 36 HD1 HIS 3 -3.343 -20.476 -4.339 1.00 53.55 ATOM 37 CD2 HIS 3 -4.066 -17.522 -3.593 1.00 74.51 ATOM 38 HD2 HIS 3 -4.509 -16.540 -3.687 1.00 33.10 ATOM 39 CE1 HIS 3 -2.934 -19.215 -2.786 1.00 62.23 ATOM 40 HE1 HIS 3 -2.324 -19.829 -2.141 1.00 13.33 ATOM 41 NE2 HIS 3 -3.290 -17.971 -2.553 1.00 33.44 ATOM 42 HE2 HIS 3 -3.169 -17.509 -1.697 1.00 37.13 ATOM 43 C HIS 3 -2.813 -17.930 -7.024 1.00 54.23 ATOM 44 O HIS 3 -2.366 -19.041 -7.314 1.00 55.53 ATOM 45 N HIS 4 -2.034 -16.872 -6.820 1.00 52.55 ATOM 46 HN HIS 4 -2.450 -16.010 -6.601 1.00 37.13 ATOM 47 CA HIS 4 -0.573 -16.961 -6.906 1.00 51.33 ATOM 48 HA HIS 4 -0.331 -17.432 -7.849 1.00 43.11 ATOM 49 CB HIS 4 0.039 -15.557 -6.886 1.00 35.15 ATOM 50 HB1 HIS 4 1.116 -15.637 -6.870 1.00 37.13 ATOM 51 HB2 HIS 4 -0.293 -15.036 -5.999 1.00 62.04 ATOM 52 CG HIS 4 -0.349 -14.735 -8.080 1.00 52.23 ATOM 53 ND1 HIS 4 0.472 -14.562 -9.173 1.00 12.20 ATOM 54 HD1 HIS 4 1.379 -14.923 -9.273 1.00 35.13 ATOM 55 CD2 HIS 4 -1.487 -14.051 -8.361 1.00 43.52 ATOM 56 HD2 HIS 4 -2.354 -13.957 -7.723 1.00 20.53 ATOM 57 CE1 HIS 4 -0.140 -13.818 -10.071 1.00 4.22 ATOM 58 HE1 HIS 4 0.265 -13.519 -11.027 1.00 60.11 ATOM 59 NE2 HIS 4 -1.326 -13.496 -9.605 1.00 42.22 ATOM 60 HE2 HIS 4 -1.948 -12.871 -10.036 1.00 37.13 ATOM 61 C HIS 4 -0.010 -17.828 -5.767 1.00 51.43 ATOM 62 O HIS 4 -0.202 -17.530 -4.588 1.00 41.12 ATOM 63 N HIS 5 0.687 -18.900 -6.137 1.00 54.54 ATOM 64 HN HIS 5 0.925 -19.006 -7.084 1.00 37.13 ATOM 65 CA HIS 5 1.109 -19.930 -5.179 1.00 42.23 ATOM 66 HA HIS 5 0.313 -20.047 -4.458 1.00 22.42 ATOM 67 CB HIS 5 1.293 -21.265 -5.911 1.00 43.15 ATOM 68 HB1 HIS 5 1.644 -22.009 -5.209 1.00 37.13 ATOM 69 HB2 HIS 5 2.029 -21.144 -6.693 1.00 21.05 ATOM 70 CG HIS 5 0.034 -21.785 -6.539 1.00 33.31 ATOM 71 ND1 HIS 5 -0.272 -21.623 -7.876 1.00 43.44 ATOM 72 HD1 HIS 5 0.284 -21.161 -8.541 1.00 1.34 ATOM 73 CD2 HIS 5 -1.001 -22.477 -6.004 1.00 14.05 ATOM 74 HD2 HIS 5 -1.104 -22.784 -4.972 1.00 31.44 ATOM 75 CE1 HIS 5 -1.434 -22.189 -8.133 1.00 2.44 ATOM 76 HE1 HIS 5 -1.924 -22.219 -9.096 1.00 55.53 ATOM 77 NE2 HIS 5 -1.895 -22.713 -7.019 1.00 45.05 ATOM 78 HE2 HIS 5 -2.757 -23.176 -6.925 1.00 37.13 ATOM 79 C HIS 5 2.401 -19.568 -4.419 1.00 43.11 ATOM 80 O HIS 5 2.692 -20.161 -3.375 1.00 53.12 ATOM 81 N HIS 6 3.178 -18.612 -4.932 1.00 24.14 ATOM 82 HN HIS 6 2.895 -18.145 -5.744 1.00 37.13 ATOM 83 CA HIS 6 4.452 -18.251 -4.291 1.00 22.44 ATOM 84 HA HIS 6 4.274 -18.179 -3.227 1.00 74.32 ATOM 85 CB HIS 6 5.489 -19.358 -4.542 1.00 75.34 ATOM 86 HB1 HIS 6 5.724 -19.391 -5.597 1.00 37.13 ATOM 87 HB2 HIS 6 5.068 -20.307 -4.246 1.00 54.34 ATOM 88 CG HIS 6 6.772 -19.174 -3.788 1.00 22.02 ATOM 89 ND1 HIS 6 7.981 -18.901 -4.398 1.00 54.33 ATOM 90 HD1 HIS 6 8.128 -18.791 -5.363 1.00 42.44 ATOM 91 CD2 HIS 6 7.036 -19.246 -2.461 1.00 44.33 ATOM 92 HD2 HIS 6 6.321 -19.444 -1.675 1.00 14.01 ATOM 93 CE1 HIS 6 8.925 -18.817 -3.482 1.00 70.30 ATOM 94 HE1 HIS 6 9.969 -18.610 -3.667 1.00 34.53 ATOM 95 NE2 HIS 6 8.378 -19.021 -2.303 1.00 62.33 ATOM 96 HE2 HIS 6 8.868 -19.068 -1.454 1.00 37.13 ATOM 97 C HIS 6 5.000 -16.901 -4.787 1.00 2.04 ATOM 98 O HIS 6 5.149 -16.683 -5.989 1.00 3.51 ATOM 99 N HIS 7 5.298 -16.001 -3.848 1.00 3.22 ATOM 100 HN HIS 7 5.052 -16.188 -2.917 1.00 37.13 ATOM 101 CA HIS 7 5.980 -14.740 -4.161 1.00 61.11 ATOM 102 HA HIS 7 5.687 -14.436 -5.157 1.00 73.01 ATOM 103 CB HIS 7 5.555 -13.656 -3.155 1.00 73.24 ATOM 104 HB1 HIS 7 6.033 -13.851 -2.205 1.00 37.13 ATOM 105 HB2 HIS 7 4.483 -13.701 -3.022 1.00 32.15 ATOM 106 CG HIS 7 5.901 -12.257 -3.568 1.00 23.40 ATOM 107 ND1 HIS 7 6.651 -11.402 -2.789 1.00 61.24 ATOM 108 HD1 HIS 7 7.027 -11.612 -1.906 1.00 40.15 ATOM 109 CD2 HIS 7 5.573 -11.552 -4.679 1.00 53.44 ATOM 110 HD2 HIS 7 4.986 -11.907 -5.516 1.00 14.23 ATOM 111 CE1 HIS 7 6.768 -10.240 -3.397 1.00 33.34 ATOM 112 HE1 HIS 7 7.299 -9.380 -3.017 1.00 10.40 ATOM 113 NE2 HIS 7 6.125 -10.304 -4.544 1.00 33.33 ATOM 114 HE2 HIS 7 5.935 -9.535 -5.124 1.00 37.13 ATOM 115 C HIS 7 7.507 -14.964 -4.134 1.00 32.01 ATOM 116 O HIS 7 7.965 -15.980 -3.617 1.00 15.40 ATOM 117 N HIS 8 8.286 -14.016 -4.673 1.00 62.35 ATOM 118 HN HIS 8 7.881 -13.166 -4.946 1.00 37.13 ATOM 119 CA HIS 8 9.737 -14.206 -4.886 1.00 5.14 ATOM 120 HA HIS 8 10.140 -13.253 -5.199 1.00 74.05 ATOM 121 CB HIS 8 10.465 -14.655 -3.604 1.00 51.32 ATOM 122 HB1 HIS 8 11.503 -14.848 -3.838 1.00 37.13 ATOM 123 HB2 HIS 8 10.013 -15.569 -3.246 1.00 62.23 ATOM 124 CG HIS 8 10.423 -13.654 -2.485 1.00 5.50 ATOM 125 ND1 HIS 8 11.491 -12.843 -2.162 1.00 53.35 ATOM 126 HD1 HIS 8 12.366 -12.836 -2.613 1.00 1.42 ATOM 127 CD2 HIS 8 9.443 -13.345 -1.601 1.00 14.52 ATOM 128 HD2 HIS 8 8.458 -13.787 -1.552 1.00 43.43 ATOM 129 CE1 HIS 8 11.171 -12.084 -1.134 1.00 60.14 ATOM 130 HE1 HIS 8 11.813 -11.351 -0.666 1.00 24.13 ATOM 131 NE2 HIS 8 9.938 -12.366 -0.775 1.00 2.43 ATOM 132 HE2 HIS 8 9.412 -11.853 -0.120 1.00 37.13 ATOM 133 C HIS 8 9.981 -15.225 -6.012 1.00 24.01 ATOM 134 O HIS 8 10.002 -16.435 -5.782 1.00 43.31 ATOM 135 N SER 9 10.167 -14.728 -7.230 1.00 63.40 ATOM 136 HN SER 9 10.248 -13.757 -7.342 1.00 37.13 ATOM 137 CA SER 9 10.259 -15.594 -8.415 1.00 72.13 ATOM 138 HA SER 9 10.415 -16.609 -8.073 1.00 31.44 ATOM 139 CB SER 9 8.942 -15.539 -9.206 1.00 25.54 ATOM 140 HB1 SER 9 8.141 -15.926 -8.593 1.00 37.13 ATOM 141 HB2 SER 9 9.034 -16.142 -10.099 1.00 1.04 ATOM 142 OG SER 9 8.620 -14.207 -9.587 1.00 64.41 ATOM 143 HG SER 9 8.041 -14.227 -10.356 1.00 24.33 ATOM 144 C SER 9 11.427 -15.202 -9.330 1.00 5.11 ATOM 145 O SER 9 11.495 -14.077 -9.829 1.00 71.41 ATOM 146 N HIS 10 12.353 -16.136 -9.539 1.00 4.32 ATOM 147 HN HIS 10 12.291 -16.983 -9.050 1.00 37.13 ATOM 148 CA HIS 10 13.460 -15.941 -10.485 1.00 0.42 ATOM 149 HA HIS 10 13.505 -14.886 -10.729 1.00 0.53 ATOM 150 CB HIS 10 14.796 -16.359 -9.849 1.00 42.25 ATOM 151 HB1 HIS 10 15.527 -16.516 -10.629 1.00 37.13 ATOM 152 HB2 HIS 10 14.654 -17.283 -9.308 1.00 4.01 ATOM 153 CG HIS 10 15.358 -15.353 -8.887 1.00 0.22 ATOM 154 ND1 HIS 10 16.698 -15.278 -8.575 1.00 70.52 ATOM 155 HD1 HIS 10 17.403 -15.865 -8.925 1.00 74.52 ATOM 156 CD2 HIS 10 14.757 -14.375 -8.167 1.00 52.21 ATOM 157 HD2 HIS 10 13.702 -14.138 -8.162 1.00 11.11 ATOM 158 CE1 HIS 10 16.897 -14.305 -7.710 1.00 51.34 ATOM 159 HE1 HIS 10 17.851 -14.016 -7.292 1.00 52.20 ATOM 160 NE2 HIS 10 15.739 -13.740 -7.445 1.00 64.32 ATOM 161 HE2 HIS 10 15.632 -12.877 -6.986 1.00 37.13 ATOM 162 C HIS 10 13.224 -16.729 -11.783 1.00 62.12 ATOM 163 O HIS 10 12.343 -17.588 -11.851 1.00 41.42 ATOM 164 N MET 11 14.029 -16.420 -12.800 1.00 44.35 ATOM 165 HN MET 11 14.713 -15.732 -12.660 1.00 37.13 ATOM 166 CA MET 11 13.937 -17.055 -14.123 1.00 32.23 ATOM 167 HA MET 11 14.701 -16.599 -14.737 1.00 24.24 ATOM 168 CB MET 11 14.219 -18.564 -14.043 1.00 50.24 ATOM 169 HB1 MET 11 14.130 -18.990 -15.033 1.00 37.13 ATOM 170 HB2 MET 11 13.485 -19.025 -13.397 1.00 11.01 ATOM 171 CG MET 11 15.605 -18.898 -13.505 1.00 12.33 ATOM 172 HG1 MET 11 15.662 -18.587 -12.471 1.00 37.13 ATOM 173 HG2 MET 11 16.341 -18.357 -14.082 1.00 21.33 ATOM 174 SD MET 11 15.983 -20.659 -13.599 1.00 22.33 ATOM 175 CE MET 11 15.954 -20.914 -15.372 1.00 42.21 ATOM 176 HE1 MET 11 16.720 -20.310 -15.835 1.00 21.54 ATOM 177 HE2 MET 11 14.986 -20.631 -15.761 1.00 20.34 ATOM 178 HE3 MET 11 16.137 -21.956 -15.590 1.00 14.14 ATOM 179 C MET 11 12.578 -16.791 -14.793 1.00 3.13 ATOM 180 O MET 11 11.568 -17.424 -14.477 1.00 11.22 ATOM 181 N LEU 12 12.565 -15.847 -15.728 1.00 14.34 ATOM 182 HN LEU 12 13.407 -15.408 -15.969 1.00 37.13 ATOM 183 CA LEU 12 11.334 -15.442 -16.411 1.00 64.01 ATOM 184 HA LEU 12 10.544 -16.118 -16.114 1.00 32.41 ATOM 185 CB LEU 12 10.956 -14.016 -15.983 1.00 54.54 ATOM 186 HB1 LEU 12 10.041 -13.743 -16.488 1.00 37.13 ATOM 187 HB2 LEU 12 11.740 -13.347 -16.312 1.00 70.41 ATOM 188 CG LEU 12 10.749 -13.810 -14.471 1.00 72.15 ATOM 189 HG LEU 12 11.644 -14.117 -13.949 1.00 3.31 ATOM 190 CD1 LEU 12 10.512 -12.336 -14.154 1.00 74.25 ATOM 191 HD11 LEU 12 11.371 -11.760 -14.466 1.00 61.44 ATOM 192 HD12 LEU 12 10.368 -12.215 -13.090 1.00 3.24 ATOM 193 HD13 LEU 12 9.634 -11.986 -14.679 1.00 74.53 ATOM 194 CD2 LEU 12 9.589 -14.664 -13.957 1.00 42.41 ATOM 195 HD21 LEU 12 9.805 -15.708 -14.132 1.00 61.23 ATOM 196 HD22 LEU 12 8.681 -14.392 -14.476 1.00 35.03 ATOM 197 HD23 LEU 12 9.461 -14.498 -12.897 1.00 60.42 ATOM 198 C LEU 12 11.492 -15.510 -17.940 1.00 55.24 ATOM 199 O LEU 12 12.497 -15.996 -18.452 1.00 43.32 ATOM 200 N THR 13 10.478 -15.030 -18.654 1.00 14.24 ATOM 201 HN THR 13 9.686 -14.703 -18.185 1.00 37.13 ATOM 202 CA THR 13 10.502 -14.972 -20.123 1.00 12.12 ATOM 203 HA THR 13 11.367 -15.516 -20.481 1.00 33.34 ATOM 204 CB THR 13 9.229 -15.605 -20.729 1.00 31.13 ATOM 205 HB THR 13 9.318 -15.601 -21.809 1.00 5.10 ATOM 206 OG1 THR 13 8.077 -14.829 -20.353 1.00 42.25 ATOM 207 HG1 THR 13 7.274 -15.300 -20.625 1.00 11.21 ATOM 208 CG2 THR 13 9.051 -17.043 -20.260 1.00 25.24 ATOM 209 HG21 THR 13 8.163 -17.461 -20.712 1.00 64.32 ATOM 210 HG22 THR 13 8.949 -17.061 -19.184 1.00 54.11 ATOM 211 HG23 THR 13 9.910 -17.629 -20.551 1.00 0.44 ATOM 212 C THR 13 10.570 -13.521 -20.607 1.00 0.23 ATOM 213 O THR 13 10.676 -12.597 -19.803 1.00 51.13 ATOM 214 N LYS 14 10.482 -13.322 -21.924 1.00 24.03 ATOM 215 HN LYS 14 10.509 -14.098 -22.529 1.00 37.13 ATOM 216 CA LYS 14 10.372 -11.974 -22.493 1.00 72.11 ATOM 217 HA LYS 14 11.272 -11.433 -22.235 1.00 43.42 ATOM 218 CB LYS 14 10.257 -12.052 -24.027 1.00 75.53 ATOM 219 HB1 LYS 14 9.406 -12.671 -24.279 1.00 37.13 ATOM 220 HB2 LYS 14 11.149 -12.516 -24.420 1.00 43.43 ATOM 221 CG LYS 14 10.081 -10.696 -24.716 1.00 53.34 ATOM 222 HG1 LYS 14 9.208 -10.207 -24.305 1.00 37.13 ATOM 223 HG2 LYS 14 9.933 -10.859 -25.774 1.00 13.02 ATOM 224 CD LYS 14 11.296 -9.786 -24.523 1.00 73.30 ATOM 225 HD1 LYS 14 12.150 -10.232 -25.016 1.00 37.13 ATOM 226 HD2 LYS 14 11.502 -9.691 -23.466 1.00 24.21 ATOM 227 CE LYS 14 11.063 -8.391 -25.105 1.00 33.44 ATOM 228 HE1 LYS 14 11.951 -7.797 -24.944 1.00 37.13 ATOM 229 HE2 LYS 14 10.228 -7.934 -24.593 1.00 65.24 ATOM 230 NZ LYS 14 10.769 -8.429 -26.563 1.00 31.13 ATOM 231 HZ1 LYS 14 9.873 -8.935 -26.737 1.00 64.43 ATOM 232 HZ2 LYS 14 11.533 -8.917 -27.072 1.00 72.20 ATOM 233 HZ3 LYS 14 10.686 -7.465 -26.939 1.00 45.03 ATOM 234 C LYS 14 9.156 -11.225 -21.911 1.00 3.41 ATOM 235 O LYS 14 9.154 -9.997 -21.815 1.00 61.33 ATOM 236 N HIS 15 8.127 -11.979 -21.514 1.00 65.11 ATOM 237 HN HIS 15 8.199 -12.956 -21.586 1.00 37.13 ATOM 238 CA HIS 15 6.894 -11.391 -20.970 1.00 53.12 ATOM 239 HA HIS 15 6.810 -10.384 -21.357 1.00 70.03 ATOM 240 CB HIS 15 5.682 -12.202 -21.439 1.00 34.12 ATOM 241 HB1 HIS 15 4.779 -11.645 -21.237 1.00 37.13 ATOM 242 HB2 HIS 15 5.651 -13.138 -20.900 1.00 21.32 ATOM 243 CG HIS 15 5.711 -12.517 -22.905 1.00 15.14 ATOM 244 ND1 HIS 15 5.912 -13.790 -23.391 1.00 21.10 ATOM 245 HD1 HIS 15 6.039 -14.600 -22.845 1.00 13.51 ATOM 246 CD2 HIS 15 5.570 -11.722 -23.994 1.00 70.42 ATOM 247 HD2 HIS 15 5.403 -10.654 -23.992 1.00 62.43 ATOM 248 CE1 HIS 15 5.897 -13.768 -24.708 1.00 31.15 ATOM 249 HE1 HIS 15 6.035 -14.621 -25.357 1.00 33.14 ATOM 250 NE2 HIS 15 5.690 -12.527 -25.099 1.00 63.24 ATOM 251 HE2 HIS 15 5.515 -12.250 -26.026 1.00 37.13 ATOM 252 C HIS 15 6.931 -11.322 -19.431 1.00 42.13 ATOM 253 O HIS 15 6.178 -10.564 -18.813 1.00 45.11 ATOM 254 N GLY 16 7.803 -12.126 -18.822 1.00 51.43 ATOM 255 HN GLY 16 8.322 -12.757 -19.362 1.00 37.13 ATOM 256 CA GLY 16 8.011 -12.071 -17.374 1.00 24.42 ATOM 257 HA1 GLY 16 7.968 -11.038 -17.058 1.00 37.13 ATOM 258 HA2 GLY 16 8.998 -12.451 -17.159 1.00 75.51 ATOM 259 C GLY 16 6.997 -12.876 -16.557 1.00 62.04 ATOM 260 O GLY 16 6.761 -12.573 -15.388 1.00 63.23 ATOM 261 N LYS 17 6.399 -13.905 -17.157 1.00 20.40 ATOM 262 HN LYS 17 6.614 -14.107 -18.093 1.00 37.13 ATOM 263 CA LYS 17 5.403 -14.735 -16.453 1.00 13.53 ATOM 264 HA LYS 17 5.144 -14.233 -15.530 1.00 21.50 ATOM 265 CB LYS 17 4.138 -14.865 -17.314 1.00 72.30 ATOM 266 HB1 LYS 17 3.423 -15.488 -16.794 1.00 37.13 ATOM 267 HB2 LYS 17 4.400 -15.339 -18.249 1.00 24.12 ATOM 268 CG LYS 17 3.470 -13.528 -17.628 1.00 63.42 ATOM 269 HG1 LYS 17 2.602 -13.707 -18.248 1.00 37.13 ATOM 270 HG2 LYS 17 4.172 -12.906 -18.165 1.00 14.32 ATOM 271 CD LYS 17 3.033 -12.792 -16.363 1.00 23.42 ATOM 272 HD1 LYS 17 3.900 -12.630 -15.735 1.00 37.13 ATOM 273 HD2 LYS 17 2.314 -13.401 -15.833 1.00 65.02 ATOM 274 CE LYS 17 2.397 -11.443 -16.683 1.00 53.24 ATOM 275 HE1 LYS 17 2.106 -10.970 -15.755 1.00 37.13 ATOM 276 HE2 LYS 17 1.519 -11.603 -17.294 1.00 72.24 ATOM 277 NZ LYS 17 3.334 -10.542 -17.411 1.00 22.04 ATOM 278 HZ1 LYS 17 4.185 -10.374 -16.839 1.00 23.31 ATOM 279 HZ2 LYS 17 2.878 -9.627 -17.606 1.00 52.21 ATOM 280 HZ3 LYS 17 3.615 -10.971 -18.316 1.00 20.20 ATOM 281 C LYS 17 5.956 -16.129 -16.103 1.00 32.22 ATOM 282 O LYS 17 5.193 -17.061 -15.842 1.00 61.34 ATOM 283 N ASN 18 7.287 -16.238 -16.057 1.00 15.32 ATOM 284 HN ASN 18 7.824 -15.435 -16.201 1.00 37.13 ATOM 285 CA ASN 18 7.978 -17.511 -15.786 1.00 64.01 ATOM 286 HA ASN 18 9.036 -17.289 -15.759 1.00 24.24 ATOM 287 CB ASN 18 7.567 -18.084 -14.420 1.00 33.45 ATOM 288 HB1 ASN 18 6.493 -18.214 -14.396 1.00 37.13 ATOM 289 HB2 ASN 18 7.855 -17.389 -13.643 1.00 33.14 ATOM 290 CG ASN 18 8.222 -19.425 -14.131 1.00 72.34 ATOM 291 OD1 ASN 18 7.663 -20.477 -14.421 1.00 71.25 ATOM 292 ND2 ASN 18 9.424 -19.402 -13.587 1.00 61.33 ATOM 293 HD21 ASN 18 9.837 -18.531 -13.399 1.00 21.51 ATOM 294 HD22 ASN 18 9.852 -20.258 -13.389 1.00 32.33 ATOM 295 C ASN 18 7.735 -18.546 -16.904 1.00 34.25 ATOM 296 O ASN 18 6.596 -18.801 -17.297 1.00 4.20 ATOM 297 N PRO 19 8.813 -19.177 -17.418 1.00 61.43 ATOM 298 CA PRO 19 8.723 -20.120 -18.550 1.00 13.43 ATOM 299 HA PRO 19 8.468 -19.598 -19.462 1.00 62.03 ATOM 300 CB PRO 19 10.153 -20.682 -18.669 1.00 32.04 ATOM 301 HB1 PRO 19 10.653 -20.220 -19.510 1.00 37.13 ATOM 302 HB2 PRO 19 10.118 -21.752 -18.816 1.00 41.33 ATOM 303 CG PRO 19 10.824 -20.332 -17.380 1.00 12.15 ATOM 304 HG1 PRO 19 11.886 -20.207 -17.537 1.00 37.13 ATOM 305 HG2 PRO 19 10.642 -21.106 -16.646 1.00 10.53 ATOM 306 CD PRO 19 10.202 -19.040 -16.942 1.00 60.33 ATOM 307 HD1 PRO 19 10.693 -18.200 -17.415 1.00 37.13 ATOM 308 HD2 PRO 19 10.242 -18.946 -15.865 1.00 72.52 ATOM 309 C PRO 19 7.708 -21.256 -18.337 1.00 53.44 ATOM 310 O PRO 19 6.968 -21.608 -19.252 1.00 71.14 ATOM 311 N VAL 20 7.674 -21.826 -17.134 1.00 5.33 ATOM 312 HN VAL 20 8.254 -21.481 -16.422 1.00 37.13 ATOM 313 CA VAL 20 6.777 -22.954 -16.849 1.00 10.41 ATOM 314 HA VAL 20 6.970 -23.719 -17.587 1.00 41.01 ATOM 315 CB VAL 20 7.053 -23.557 -15.447 1.00 70.30 ATOM 316 HB VAL 20 6.823 -22.804 -14.704 1.00 73.04 ATOM 317 CG1 VAL 20 6.158 -24.767 -15.184 1.00 44.24 ATOM 318 HG11 VAL 20 6.360 -25.157 -14.197 1.00 71.14 ATOM 319 HG12 VAL 20 6.358 -25.533 -15.920 1.00 54.24 ATOM 320 HG13 VAL 20 5.121 -24.470 -15.249 1.00 24.43 ATOM 321 CG2 VAL 20 8.530 -23.931 -15.303 1.00 74.45 ATOM 322 HG21 VAL 20 8.778 -24.708 -16.013 1.00 51.43 ATOM 323 HG22 VAL 20 8.720 -24.287 -14.300 1.00 43.41 ATOM 324 HG23 VAL 20 9.142 -23.061 -15.494 1.00 61.42 ATOM 325 C VAL 20 5.298 -22.539 -16.947 1.00 54.33 ATOM 326 O VAL 20 4.545 -23.070 -17.766 1.00 2.31 ATOM 327 N MET 21 4.897 -21.562 -16.136 1.00 1.12 ATOM 328 HN MET 21 5.556 -21.124 -15.555 1.00 37.13 ATOM 329 CA MET 21 3.499 -21.117 -16.102 1.00 63.13 ATOM 330 HA MET 21 2.886 -21.991 -15.919 1.00 10.13 ATOM 331 CB MET 21 3.272 -20.115 -14.962 1.00 1.53 ATOM 332 HB1 MET 21 2.247 -19.779 -14.998 1.00 37.13 ATOM 333 HB2 MET 21 3.924 -19.264 -15.110 1.00 54.22 ATOM 334 CG MET 21 3.538 -20.689 -13.573 1.00 54.14 ATOM 335 HG1 MET 21 4.583 -20.955 -13.499 1.00 37.13 ATOM 336 HG2 MET 21 2.934 -21.575 -13.442 1.00 31.44 ATOM 337 SD MET 21 3.142 -19.530 -12.246 1.00 41.42 ATOM 338 CE MET 21 4.212 -18.153 -12.658 1.00 5.31 ATOM 339 HE1 MET 21 4.092 -17.370 -11.925 1.00 44.23 ATOM 340 HE2 MET 21 3.953 -17.773 -13.636 1.00 3.31 ATOM 341 HE3 MET 21 5.239 -18.487 -12.664 1.00 54.31 ATOM 342 C MET 21 3.064 -20.500 -17.440 1.00 71.42 ATOM 343 O MET 21 1.950 -20.748 -17.908 1.00 51.22 ATOM 344 N GLU 22 3.938 -19.702 -18.058 1.00 51.24 ATOM 345 HN GLU 22 4.795 -19.498 -17.626 1.00 37.13 ATOM 346 CA GLU 22 3.634 -19.120 -19.369 1.00 54.31 ATOM 347 HA GLU 22 2.720 -18.548 -19.265 1.00 43.21 ATOM 348 CB GLU 22 4.755 -18.177 -19.836 1.00 1.14 ATOM 349 HB1 GLU 22 5.671 -18.743 -19.939 1.00 37.13 ATOM 350 HB2 GLU 22 4.901 -17.407 -19.090 1.00 74.05 ATOM 351 CG GLU 22 4.453 -17.504 -21.173 1.00 41.23 ATOM 352 HG1 GLU 22 3.452 -17.096 -21.135 1.00 37.13 ATOM 353 HG2 GLU 22 4.500 -18.251 -21.953 1.00 62.21 ATOM 354 CD GLU 22 5.423 -16.385 -21.513 1.00 4.52 ATOM 355 OE1 GLU 22 5.305 -15.290 -20.928 1.00 42.53 ATOM 356 OE2 GLU 22 6.300 -16.579 -22.379 1.00 54.33 ATOM 357 C GLU 22 3.402 -20.220 -20.411 1.00 53.33 ATOM 358 O GLU 22 2.376 -20.233 -21.092 1.00 64.25 ATOM 359 N LEU 23 4.348 -21.153 -20.517 1.00 63.41 ATOM 360 HN LEU 23 5.157 -21.075 -19.965 1.00 37.13 ATOM 361 CA LEU 23 4.218 -22.290 -21.438 1.00 31.14 ATOM 362 HA LEU 23 4.221 -21.898 -22.446 1.00 64.14 ATOM 363 CB LEU 23 5.412 -23.246 -21.274 1.00 14.44 ATOM 364 HB1 LEU 23 5.428 -23.591 -20.249 1.00 37.13 ATOM 365 HB2 LEU 23 6.318 -22.683 -21.455 1.00 71.23 ATOM 366 CG LEU 23 5.415 -24.479 -22.197 1.00 2.02 ATOM 367 HG LEU 23 4.508 -25.043 -22.033 1.00 50.52 ATOM 368 CD1 LEU 23 5.443 -24.066 -23.667 1.00 3.00 ATOM 369 HD11 LEU 23 6.336 -23.490 -23.866 1.00 74.42 ATOM 370 HD12 LEU 23 4.572 -23.466 -23.889 1.00 25.22 ATOM 371 HD13 LEU 23 5.438 -24.949 -24.290 1.00 40.44 ATOM 372 CD2 LEU 23 6.598 -25.391 -21.869 1.00 43.41 ATOM 373 HD21 LEU 23 7.524 -24.868 -22.060 1.00 50.52 ATOM 374 HD22 LEU 23 6.552 -26.278 -22.484 1.00 52.24 ATOM 375 HD23 LEU 23 6.556 -25.676 -20.827 1.00 31.23 ATOM 376 C LEU 23 2.897 -23.046 -21.207 1.00 61.13 ATOM 377 O LEU 23 2.236 -23.465 -22.159 1.00 25.02 ATOM 378 N ASN 24 2.506 -23.187 -19.935 1.00 23.02 ATOM 379 HN ASN 24 3.076 -22.827 -19.221 1.00 37.13 ATOM 380 CA ASN 24 1.246 -23.858 -19.576 1.00 20.02 ATOM 381 HA ASN 24 1.271 -24.845 -20.017 1.00 75.31 ATOM 382 CB ASN 24 1.125 -24.009 -18.050 1.00 32.03 ATOM 383 HB1 ASN 24 0.101 -24.236 -17.793 1.00 37.13 ATOM 384 HB2 ASN 24 1.405 -23.077 -17.581 1.00 44.23 ATOM 385 CG ASN 24 2.017 -25.108 -17.490 1.00 12.12 ATOM 386 OD1 ASN 24 1.643 -25.808 -16.552 1.00 3.03 ATOM 387 ND2 ASN 24 3.207 -25.253 -18.031 1.00 34.23 ATOM 388 HD21 ASN 24 3.462 -24.655 -18.758 1.00 45.11 ATOM 389 HD22 ASN 24 3.792 -25.953 -17.678 1.00 35.52 ATOM 390 C ASN 24 0.015 -23.117 -20.133 1.00 13.44 ATOM 391 O ASN 24 -1.039 -23.721 -20.342 1.00 44.20 ATOM 392 N GLU 25 0.142 -21.808 -20.356 1.00 35.03 ATOM 393 HN GLU 25 0.974 -21.358 -20.098 1.00 37.13 ATOM 394 CA GLU 25 -0.943 -21.019 -20.962 1.00 70.03 ATOM 395 HA GLU 25 -1.859 -21.583 -20.844 1.00 74.12 ATOM 396 CB GLU 25 -1.106 -19.671 -20.238 1.00 43.50 ATOM 397 HB1 GLU 25 -1.823 -19.068 -20.782 1.00 37.13 ATOM 398 HB2 GLU 25 -0.154 -19.159 -20.232 1.00 72.10 ATOM 399 CG GLU 25 -1.591 -19.801 -18.795 1.00 43.30 ATOM 400 HG1 GLU 25 -0.800 -20.238 -18.200 1.00 37.13 ATOM 401 HG2 GLU 25 -2.452 -20.455 -18.776 1.00 34.41 ATOM 402 CD GLU 25 -1.986 -18.464 -18.181 1.00 53.51 ATOM 403 OE1 GLU 25 -3.019 -17.899 -18.601 1.00 4.22 ATOM 404 OE2 GLU 25 -1.281 -17.983 -17.268 1.00 1.23 ATOM 405 C GLU 25 -0.715 -20.791 -22.469 1.00 32.24 ATOM 406 O GLU 25 -1.635 -20.397 -23.194 1.00 2.54 ATOM 407 N LYS 26 0.511 -21.029 -22.940 1.00 72.31 ATOM 408 HN LYS 26 1.219 -21.287 -22.311 1.00 37.13 ATOM 409 CA LYS 26 0.830 -20.906 -24.370 1.00 42.44 ATOM 410 HA LYS 26 0.292 -20.049 -24.754 1.00 40.42 ATOM 411 CB LYS 26 2.338 -20.673 -24.574 1.00 34.40 ATOM 412 HB1 LYS 26 2.554 -20.683 -25.634 1.00 37.13 ATOM 413 HB2 LYS 26 2.881 -21.481 -24.100 1.00 32.01 ATOM 414 CG LYS 26 2.845 -19.351 -23.993 1.00 14.15 ATOM 415 HG1 LYS 26 3.911 -19.280 -24.163 1.00 37.13 ATOM 416 HG2 LYS 26 2.653 -19.342 -22.930 1.00 74.23 ATOM 417 CD LYS 26 2.159 -18.140 -24.626 1.00 2.23 ATOM 418 HD1 LYS 26 2.435 -17.254 -24.071 1.00 37.13 ATOM 419 HD2 LYS 26 1.088 -18.275 -24.573 1.00 4.21 ATOM 420 CE LYS 26 2.560 -17.951 -26.087 1.00 73.41 ATOM 421 HE1 LYS 26 1.889 -17.236 -26.541 1.00 37.13 ATOM 422 HE2 LYS 26 2.472 -18.897 -26.598 1.00 40.33 ATOM 423 NZ LYS 26 3.958 -17.455 -26.226 1.00 41.24 ATOM 424 HZ1 LYS 26 4.278 -17.548 -27.208 1.00 53.33 ATOM 425 HZ2 LYS 26 4.604 -17.992 -25.610 1.00 65.42 ATOM 426 HZ3 LYS 26 4.006 -16.450 -25.958 1.00 2.54 ATOM 427 C LYS 26 0.377 -22.150 -25.147 1.00 73.52 ATOM 428 O LYS 26 -0.181 -22.044 -26.239 1.00 71.22 ATOM 429 N ARG 27 0.611 -23.329 -24.574 1.00 44.10 ATOM 430 HN ARG 27 1.071 -23.352 -23.705 1.00 37.13 ATOM 431 CA ARG 27 0.193 -24.598 -25.187 1.00 45.10 ATOM 432 HA ARG 27 -0.571 -24.375 -25.920 1.00 43.43 ATOM 433 CB ARG 27 1.378 -25.280 -25.895 1.00 75.40 ATOM 434 HB1 ARG 27 1.099 -26.296 -26.145 1.00 37.13 ATOM 435 HB2 ARG 27 2.220 -25.309 -25.217 1.00 15.20 ATOM 436 CG ARG 27 1.818 -24.579 -27.175 1.00 3.41 ATOM 437 HG1 ARG 27 2.667 -25.105 -27.588 1.00 37.13 ATOM 438 HG2 ARG 27 2.102 -23.563 -26.940 1.00 3.12 ATOM 439 CD ARG 27 0.698 -24.550 -28.213 1.00 72.52 ATOM 440 HD1 ARG 27 1.053 -24.035 -29.092 1.00 37.13 ATOM 441 HD2 ARG 27 -0.146 -24.013 -27.802 1.00 71.42 ATOM 442 NE ARG 27 0.270 -25.896 -28.591 1.00 0.04 ATOM 443 HE ARG 27 0.973 -26.569 -28.744 1.00 42.11 ATOM 444 CZ ARG 27 -0.973 -26.258 -28.760 1.00 55.31 ATOM 445 NH1 ARG 27 -1.943 -25.414 -28.581 1.00 12.50 ATOM 446 HH11 ARG 27 -1.745 -24.473 -28.320 1.00 62.43 ATOM 447 HH12 ARG 27 -2.889 -25.708 -28.722 1.00 23.33 ATOM 448 NH2 ARG 27 -1.247 -27.472 -29.105 1.00 52.42 ATOM 449 HH21 ARG 27 -0.504 -28.132 -29.245 1.00 55.13 ATOM 450 HH22 ARG 27 -2.195 -27.749 -29.242 1.00 12.30 ATOM 451 C ARG 27 -0.403 -25.549 -24.142 1.00 21.20 ATOM 452 O ARG 27 -0.107 -25.445 -22.953 1.00 4.13 ATOM 453 N ARG 28 -1.248 -26.477 -24.593 1.00 50.10 ATOM 454 HN ARG 28 -1.471 -26.495 -25.545 1.00 37.13 ATOM 455 CA ARG 28 -1.837 -27.481 -23.700 1.00 1.53 ATOM 456 HA ARG 28 -1.362 -27.367 -22.734 1.00 12.23 ATOM 457 CB ARG 28 -3.350 -27.266 -23.523 1.00 14.33 ATOM 458 HB1 ARG 28 -3.506 -26.291 -23.082 1.00 37.13 ATOM 459 HB2 ARG 28 -3.723 -28.014 -22.838 1.00 34.42 ATOM 460 CG ARG 28 -4.185 -27.345 -24.803 1.00 23.54 ATOM 461 HG1 ARG 28 -5.220 -27.517 -24.531 1.00 37.13 ATOM 462 HG2 ARG 28 -3.833 -28.174 -25.400 1.00 63.20 ATOM 463 CD ARG 28 -4.101 -26.069 -25.638 1.00 22.54 ATOM 464 HD1 ARG 28 -3.135 -26.031 -26.121 1.00 37.13 ATOM 465 HD2 ARG 28 -4.209 -25.217 -24.982 1.00 64.55 ATOM 466 NE ARG 28 -5.145 -26.016 -26.661 1.00 34.02 ATOM 467 HE ARG 28 -5.659 -26.833 -26.823 1.00 64.21 ATOM 468 CZ ARG 28 -5.452 -24.947 -27.341 1.00 52.13 ATOM 469 NH1 ARG 28 -4.784 -23.851 -27.176 1.00 31.14 ATOM 470 HH11 ARG 28 -4.033 -23.820 -26.522 1.00 21.42 ATOM 471 HH12 ARG 28 -5.025 -23.037 -27.700 1.00 34.32 ATOM 472 NH2 ARG 28 -6.421 -24.981 -28.198 1.00 61.25 ATOM 473 HH21 ARG 28 -6.934 -25.826 -28.335 1.00 74.24 ATOM 474 HH22 ARG 28 -6.667 -24.158 -28.707 1.00 31.43 ATOM 475 C ARG 28 -1.557 -28.906 -24.197 1.00 65.30 ATOM 476 O ARG 28 -1.281 -29.123 -25.377 1.00 10.04 ATOM 477 N GLY 29 -1.647 -29.873 -23.287 1.00 43.43 ATOM 478 HN GLY 29 -1.992 -29.659 -22.394 1.00 37.13 ATOM 479 CA GLY 29 -1.248 -31.244 -23.596 1.00 10.03 ATOM 480 HA1 GLY 29 -1.431 -31.442 -24.643 1.00 37.13 ATOM 481 HA2 GLY 29 -1.843 -31.923 -23.002 1.00 32.23 ATOM 482 C GLY 29 0.226 -31.484 -23.293 1.00 73.23 ATOM 483 O GLY 29 0.889 -32.293 -23.946 1.00 70.31 ATOM 484 N LEU 30 0.733 -30.772 -22.289 1.00 61.54 ATOM 485 HN LEU 30 0.132 -30.197 -21.772 1.00 37.13 ATOM 486 CA LEU 30 2.150 -30.820 -21.922 1.00 55.11 ATOM 487 HA LEU 30 2.725 -31.008 -22.817 1.00 2.33 ATOM 488 CB LEU 30 2.581 -29.471 -21.329 1.00 54.25 ATOM 489 HB1 LEU 30 3.652 -29.492 -21.180 1.00 37.13 ATOM 490 HB2 LEU 30 2.105 -29.359 -20.362 1.00 32.02 ATOM 491 CG LEU 30 2.240 -28.234 -22.178 1.00 31.33 ATOM 492 HG LEU 30 1.165 -28.160 -22.274 1.00 15.32 ATOM 493 CD1 LEU 30 2.734 -26.963 -21.497 1.00 54.40 ATOM 494 HD11 LEU 30 2.472 -26.105 -22.100 1.00 34.51 ATOM 495 HD12 LEU 30 3.808 -27.007 -21.385 1.00 41.30 ATOM 496 HD13 LEU 30 2.275 -26.872 -20.523 1.00 31.05 ATOM 497 CD2 LEU 30 2.828 -28.358 -23.581 1.00 55.14 ATOM 498 HD21 LEU 30 2.434 -29.241 -24.063 1.00 71.23 ATOM 499 HD22 LEU 30 3.905 -28.435 -23.516 1.00 65.52 ATOM 500 HD23 LEU 30 2.566 -27.485 -24.162 1.00 43.05 ATOM 501 C LEU 30 2.431 -31.935 -20.908 1.00 44.35 ATOM 502 O LEU 30 1.518 -32.463 -20.269 1.00 52.45 ATOM 503 N LYS 31 3.700 -32.285 -20.754 1.00 5.32 ATOM 504 HN LYS 31 4.387 -31.840 -21.295 1.00 37.13 ATOM 505 CA LYS 31 4.097 -33.329 -19.807 1.00 11.33 ATOM 506 HA LYS 31 3.339 -33.381 -19.036 1.00 24.24 ATOM 507 CB LYS 31 4.166 -34.683 -20.524 1.00 3.14 ATOM 508 HB1 LYS 31 4.845 -34.599 -21.361 1.00 37.13 ATOM 509 HB2 LYS 31 3.181 -34.929 -20.898 1.00 4.13 ATOM 510 CG LYS 31 4.643 -35.828 -19.635 1.00 53.32 ATOM 511 HG1 LYS 31 3.989 -35.904 -18.776 1.00 37.13 ATOM 512 HG2 LYS 31 5.649 -35.615 -19.301 1.00 10.52 ATOM 513 CD LYS 31 4.646 -37.161 -20.378 1.00 32.31 ATOM 514 HD1 LYS 31 5.058 -37.919 -19.727 1.00 37.13 ATOM 515 HD2 LYS 31 5.265 -37.069 -21.258 1.00 71.23 ATOM 516 CE LYS 31 3.244 -37.585 -20.804 1.00 20.14 ATOM 517 HE1 LYS 31 2.846 -36.843 -21.483 1.00 37.13 ATOM 518 HE2 LYS 31 2.615 -37.643 -19.928 1.00 43.13 ATOM 519 NZ LYS 31 3.242 -38.908 -21.484 1.00 11.21 ATOM 520 HZ1 LYS 31 2.267 -39.184 -21.722 1.00 73.34 ATOM 521 HZ2 LYS 31 3.654 -39.634 -20.862 1.00 2.41 ATOM 522 HZ3 LYS 31 3.800 -38.861 -22.359 1.00 22.45 ATOM 523 C LYS 31 5.448 -33.013 -19.149 1.00 22.13 ATOM 524 O LYS 31 6.478 -32.994 -19.817 1.00 52.15 ATOM 525 N TYR 32 5.431 -32.761 -17.840 1.00 64.05 ATOM 526 HN TYR 32 4.569 -32.740 -17.372 1.00 37.13 ATOM 527 CA TYR 32 6.661 -32.511 -17.073 1.00 3.43 ATOM 528 HA TYR 32 7.460 -32.303 -17.773 1.00 1.34 ATOM 529 CB TYR 32 6.483 -31.302 -16.139 1.00 54.44 ATOM 530 HB1 TYR 32 7.363 -31.211 -15.516 1.00 37.13 ATOM 531 HB2 TYR 32 5.626 -31.476 -15.504 1.00 4.22 ATOM 532 CG TYR 32 6.273 -29.972 -16.843 1.00 24.21 ATOM 533 CD1 TYR 32 7.332 -29.086 -17.031 1.00 42.12 ATOM 534 HD1 TYR 32 8.317 -29.366 -16.687 1.00 35.02 ATOM 535 CD2 TYR 32 5.014 -29.590 -17.294 1.00 2.25 ATOM 536 HD2 TYR 32 4.181 -30.264 -17.158 1.00 41.31 ATOM 537 CE1 TYR 32 7.141 -27.865 -17.650 1.00 24.11 ATOM 538 HE1 TYR 32 7.976 -27.193 -17.788 1.00 11.51 ATOM 539 CE2 TYR 32 4.819 -28.373 -17.918 1.00 24.24 ATOM 540 HE2 TYR 32 3.833 -28.097 -18.263 1.00 1.34 ATOM 541 CZ TYR 32 5.883 -27.513 -18.090 1.00 55.03 ATOM 542 OH TYR 32 5.687 -26.296 -18.702 1.00 2.04 ATOM 543 HH TYR 32 6.389 -26.141 -19.341 1.00 63.15 ATOM 544 C TYR 32 7.045 -33.735 -16.222 1.00 73.33 ATOM 545 O TYR 32 6.341 -34.080 -15.272 1.00 51.43 ATOM 546 N GLU 33 8.159 -34.387 -16.552 1.00 41.34 ATOM 547 HN GLU 33 8.641 -34.133 -17.372 1.00 37.13 ATOM 548 CA GLU 33 8.679 -35.481 -15.716 1.00 44.34 ATOM 549 HA GLU 33 8.199 -35.398 -14.749 1.00 64.44 ATOM 550 CB GLU 33 8.339 -36.858 -16.307 1.00 5.02 ATOM 551 HB1 GLU 33 7.263 -36.934 -16.404 1.00 37.13 ATOM 552 HB2 GLU 33 8.678 -37.620 -15.620 1.00 21.34 ATOM 553 CG GLU 33 8.958 -37.140 -17.670 1.00 10.40 ATOM 554 HG1 GLU 33 10.034 -37.059 -17.587 1.00 37.13 ATOM 555 HG2 GLU 33 8.598 -36.405 -18.373 1.00 73.42 ATOM 556 CD GLU 33 8.605 -38.531 -18.184 1.00 4.02 ATOM 557 OE1 GLU 33 9.518 -39.374 -18.341 1.00 0.51 ATOM 558 OE2 GLU 33 7.402 -38.802 -18.400 1.00 62.43 ATOM 559 C GLU 33 10.192 -35.352 -15.498 1.00 73.15 ATOM 560 O GLU 33 10.863 -34.549 -16.146 1.00 0.41 ATOM 561 N LEU 34 10.719 -36.146 -14.571 1.00 12.11 ATOM 562 HN LEU 34 10.147 -36.817 -14.144 1.00 37.13 ATOM 563 CA LEU 34 12.130 -36.057 -14.178 1.00 65.41 ATOM 564 HA LEU 34 12.496 -35.084 -14.477 1.00 34.13 ATOM 565 CB LEU 34 12.244 -36.175 -12.652 1.00 42.24 ATOM 566 HB1 LEU 34 11.804 -37.116 -12.354 1.00 37.13 ATOM 567 HB2 LEU 34 11.666 -35.375 -12.210 1.00 63.44 ATOM 568 CG LEU 34 13.668 -36.111 -12.073 1.00 41.34 ATOM 569 HG LEU 34 14.252 -36.928 -12.477 1.00 62.42 ATOM 570 CD1 LEU 34 14.360 -34.804 -12.456 1.00 35.43 ATOM 571 HD11 LEU 34 15.368 -34.800 -12.066 1.00 24.22 ATOM 572 HD12 LEU 34 13.813 -33.969 -12.043 1.00 43.40 ATOM 573 HD13 LEU 34 14.392 -34.716 -13.532 1.00 25.13 ATOM 574 CD2 LEU 34 13.623 -36.272 -10.557 1.00 75.21 ATOM 575 HD21 LEU 34 13.049 -35.465 -10.123 1.00 31.41 ATOM 576 HD22 LEU 34 14.626 -36.253 -10.159 1.00 24.00 ATOM 577 HD23 LEU 34 13.159 -37.216 -10.309 1.00 22.30 ATOM 578 C LEU 34 12.985 -37.137 -14.867 1.00 12.52 ATOM 579 O LEU 34 12.700 -38.334 -14.771 1.00 21.45 ATOM 580 N ILE 35 14.037 -36.699 -15.554 1.00 21.35 ATOM 581 HN ILE 35 14.206 -35.734 -15.595 1.00 37.13 ATOM 582 CA ILE 35 14.946 -37.608 -16.261 1.00 24.10 ATOM 583 HA ILE 35 14.375 -38.471 -16.583 1.00 44.40 ATOM 584 CB ILE 35 15.540 -36.923 -17.519 1.00 50.53 ATOM 585 HB ILE 35 16.174 -36.111 -17.189 1.00 4.14 ATOM 586 CG1 ILE 35 14.415 -36.346 -18.399 1.00 2.31 ATOM 587 HG11 ILE 35 14.851 -35.901 -19.282 1.00 37.13 ATOM 588 HG12 ILE 35 13.889 -35.581 -17.844 1.00 15.33 ATOM 589 CG2 ILE 35 16.405 -37.898 -18.316 1.00 11.10 ATOM 590 HG21 ILE 35 16.813 -37.396 -19.181 1.00 45.22 ATOM 591 HG22 ILE 35 15.803 -38.736 -18.639 1.00 21.21 ATOM 592 HG23 ILE 35 17.212 -38.256 -17.694 1.00 41.14 ATOM 593 CD1 ILE 35 13.391 -37.371 -18.851 1.00 11.15 ATOM 594 HD11 ILE 35 12.650 -36.889 -19.472 1.00 21.04 ATOM 595 HD12 ILE 35 12.909 -37.805 -17.988 1.00 61.21 ATOM 596 HD13 ILE 35 13.883 -38.148 -19.417 1.00 24.33 ATOM 597 C ILE 35 16.092 -38.079 -15.345 1.00 54.13 ATOM 598 O ILE 35 16.322 -39.282 -15.178 1.00 52.01 ATOM 599 N SER 36 16.803 -37.122 -14.745 1.00 15.53 ATOM 600 HN SER 36 16.559 -36.180 -14.901 1.00 37.13 ATOM 601 CA SER 36 17.935 -37.431 -13.849 1.00 72.22 ATOM 602 HA SER 36 17.824 -38.452 -13.509 1.00 43.11 ATOM 603 CB SER 36 19.269 -37.300 -14.599 1.00 12.32 ATOM 604 HB1 SER 36 19.423 -36.268 -14.883 1.00 37.13 ATOM 605 HB2 SER 36 19.243 -37.914 -15.487 1.00 3.44 ATOM 606 OG SER 36 20.358 -37.719 -13.791 1.00 15.10 ATOM 607 HG SER 36 21.185 -37.570 -14.269 1.00 44.34 ATOM 608 C SER 36 17.941 -36.507 -12.625 1.00 22.12 ATOM 609 O SER 36 17.436 -35.390 -12.685 1.00 32.01 ATOM 610 N GLU 37 18.515 -36.969 -11.514 1.00 72.42 ATOM 611 HN GLU 37 18.927 -37.858 -11.519 1.00 37.13 ATOM 612 CA GLU 37 18.548 -36.171 -10.279 1.00 13.51 ATOM 613 HA GLU 37 18.584 -35.127 -10.564 1.00 42.41 ATOM 614 CB GLU 37 17.274 -36.407 -9.455 1.00 42.21 ATOM 615 HB1 GLU 37 16.419 -36.181 -10.075 1.00 37.13 ATOM 616 HB2 GLU 37 17.277 -35.731 -8.611 1.00 33.32 ATOM 617 CG GLU 37 17.116 -37.830 -8.924 1.00 55.11 ATOM 618 HG1 GLU 37 17.977 -38.074 -8.314 1.00 37.13 ATOM 619 HG2 GLU 37 17.067 -38.509 -9.762 1.00 42.33 ATOM 620 CD GLU 37 15.857 -37.999 -8.082 1.00 35.24 ATOM 621 OE1 GLU 37 15.851 -37.557 -6.912 1.00 51.15 ATOM 622 OE2 GLU 37 14.863 -38.568 -8.585 1.00 51.21 ATOM 623 C GLU 37 19.786 -36.480 -9.423 1.00 55.31 ATOM 624 O GLU 37 20.531 -37.421 -9.695 1.00 3.21 ATOM 625 N THR 38 20.012 -35.666 -8.393 1.00 50.44 ATOM 626 HN THR 38 19.423 -34.894 -8.259 1.00 37.13 ATOM 627 CA THR 38 21.115 -35.891 -7.448 1.00 51.55 ATOM 628 HA THR 38 21.422 -36.926 -7.526 1.00 65.11 ATOM 629 CB THR 38 22.334 -34.990 -7.773 1.00 31.13 ATOM 630 HB THR 38 22.029 -33.956 -7.680 1.00 73.42 ATOM 631 OG1 THR 38 22.781 -35.224 -9.120 1.00 51.34 ATOM 632 HG1 THR 38 22.108 -35.726 -9.599 1.00 52.32 ATOM 633 CG2 THR 38 23.486 -35.246 -6.808 1.00 74.23 ATOM 634 HG21 THR 38 23.179 -34.997 -5.802 1.00 43.33 ATOM 635 HG22 THR 38 24.332 -34.636 -7.088 1.00 72.20 ATOM 636 HG23 THR 38 23.766 -36.289 -6.850 1.00 60.04 ATOM 637 C THR 38 20.655 -35.610 -6.012 1.00 13.02 ATOM 638 O THR 38 20.094 -34.549 -5.732 1.00 21.33 ATOM 639 N GLY 39 20.906 -36.556 -5.107 1.00 1.21 ATOM 640 HN GLY 39 21.380 -37.366 -5.384 1.00 37.13 ATOM 641 CA GLY 39 20.460 -36.421 -3.721 1.00 0.23 ATOM 642 HA1 GLY 39 19.905 -37.309 -3.455 1.00 37.13 ATOM 643 HA2 GLY 39 19.800 -35.567 -3.645 1.00 34.24 ATOM 644 C GLY 39 21.601 -36.241 -2.727 1.00 23.01 ATOM 645 O GLY 39 21.756 -37.030 -1.792 1.00 24.33 ATOM 646 N GLY 40 22.408 -35.209 -2.933 1.00 63.10 ATOM 647 HN GLY 40 22.297 -34.669 -3.746 1.00 37.13 ATOM 648 CA GLY 40 23.450 -34.865 -1.972 1.00 30.24 ATOM 649 HA1 GLY 40 24.342 -34.577 -2.509 1.00 37.13 ATOM 650 HA2 GLY 40 23.673 -35.728 -1.361 1.00 52.33 ATOM 651 C GLY 40 23.026 -33.715 -1.070 1.00 43.13 ATOM 652 O GLY 40 22.141 -32.944 -1.437 1.00 14.23 ATOM 653 N SER 41 23.660 -33.587 0.097 1.00 42.00 ATOM 654 HN SER 41 24.389 -34.211 0.307 1.00 37.13 ATOM 655 CA SER 41 23.305 -32.545 1.083 1.00 20.11 ATOM 656 HA SER 41 22.392 -32.856 1.571 1.00 21.11 ATOM 657 CB SER 41 24.408 -32.412 2.141 1.00 55.14 ATOM 658 HB1 SER 41 25.349 -32.193 1.656 1.00 37.13 ATOM 659 HB2 SER 41 24.493 -33.341 2.686 1.00 45.21 ATOM 660 OG SER 41 24.117 -31.373 3.061 1.00 1.02 ATOM 661 HG SER 41 24.946 -30.961 3.348 1.00 42.34 ATOM 662 C SER 41 23.060 -31.184 0.413 1.00 72.44 ATOM 663 O SER 41 21.932 -30.681 0.392 1.00 14.12 ATOM 664 N HIS 42 24.116 -30.601 -0.148 1.00 33.43 ATOM 665 HN HIS 42 25.002 -30.997 -0.014 1.00 37.13 ATOM 666 CA HIS 42 23.989 -29.378 -0.952 1.00 14.43 ATOM 667 HA HIS 42 23.020 -28.943 -0.746 1.00 73.14 ATOM 668 CB HIS 42 25.081 -28.362 -0.573 1.00 4.44 ATOM 669 HB1 HIS 42 24.985 -28.120 0.477 1.00 37.13 ATOM 670 HB2 HIS 42 24.941 -27.462 -1.154 1.00 42.50 ATOM 671 CG HIS 42 26.482 -28.849 -0.809 1.00 52.42 ATOM 672 ND1 HIS 42 27.299 -29.302 0.203 1.00 64.41 ATOM 673 HD1 HIS 42 27.062 -29.342 1.157 1.00 2.30 ATOM 674 CD2 HIS 42 27.215 -28.950 -1.948 1.00 33.41 ATOM 675 HD2 HIS 42 26.892 -28.683 -2.945 1.00 2.14 ATOM 676 CE1 HIS 42 28.466 -29.657 -0.297 1.00 2.14 ATOM 677 HE1 HIS 42 29.302 -30.048 0.265 1.00 64.43 ATOM 678 NE2 HIS 42 28.441 -29.456 -1.598 1.00 15.42 ATOM 679 HE2 HIS 42 29.101 -29.821 -2.227 1.00 37.13 ATOM 680 C HIS 42 24.069 -29.702 -2.452 1.00 21.44 ATOM 681 O HIS 42 23.977 -28.816 -3.299 1.00 15.21 ATOM 682 N ASP 43 24.244 -30.982 -2.771 1.00 61.45 ATOM 683 HN ASP 43 24.255 -31.652 -2.059 1.00 37.13 ATOM 684 CA ASP 43 24.418 -31.418 -4.156 1.00 35.55 ATOM 685 HA ASP 43 24.925 -30.627 -4.692 1.00 12.42 ATOM 686 CB ASP 43 25.285 -32.681 -4.202 1.00 41.43 ATOM 687 HB1 ASP 43 25.686 -32.801 -5.200 1.00 37.13 ATOM 688 HB2 ASP 43 24.677 -33.540 -3.960 1.00 73.44 ATOM 689 CG ASP 43 26.441 -32.616 -3.221 1.00 63.14 ATOM 690 OD1 ASP 43 27.430 -31.909 -3.497 1.00 52.33 ATOM 691 OD2 ASP 43 26.358 -33.266 -2.157 1.00 63.14 ATOM 692 C ASP 43 23.061 -31.678 -4.827 1.00 54.32 ATOM 693 O ASP 43 22.597 -32.817 -4.912 1.00 73.34 ATOM 694 N LYS 44 22.412 -30.605 -5.261 1.00 0.43 ATOM 695 HN LYS 44 22.798 -29.719 -5.091 1.00 37.13 ATOM 696 CA LYS 44 21.134 -30.698 -5.974 1.00 21.32 ATOM 697 HA LYS 44 20.790 -31.722 -5.904 1.00 41.54 ATOM 698 CB LYS 44 20.080 -29.776 -5.323 1.00 15.54 ATOM 699 HB1 LYS 44 19.435 -29.379 -6.097 1.00 37.13 ATOM 700 HB2 LYS 44 20.590 -28.952 -4.845 1.00 34.13 ATOM 701 CG LYS 44 19.195 -30.453 -4.274 1.00 31.32 ATOM 702 HG1 LYS 44 18.660 -31.266 -4.746 1.00 37.13 ATOM 703 HG2 LYS 44 18.484 -29.729 -3.902 1.00 22.31 ATOM 704 CD LYS 44 19.991 -31.003 -3.095 1.00 51.14 ATOM 705 HD1 LYS 44 20.571 -30.204 -2.657 1.00 37.13 ATOM 706 HD2 LYS 44 20.655 -31.778 -3.453 1.00 12.33 ATOM 707 CE LYS 44 19.071 -31.594 -2.028 1.00 22.13 ATOM 708 HE1 LYS 44 18.540 -32.433 -2.454 1.00 37.13 ATOM 709 HE2 LYS 44 18.361 -30.840 -1.721 1.00 25.41 ATOM 710 NZ LYS 44 19.822 -32.057 -0.832 1.00 20.10 ATOM 711 HZ1 LYS 44 20.366 -31.272 -0.423 1.00 30.43 ATOM 712 HZ2 LYS 44 20.479 -32.817 -1.090 1.00 4.13 ATOM 713 HZ3 LYS 44 19.162 -32.418 -0.110 1.00 62.30 ATOM 714 C LYS 44 21.300 -30.342 -7.461 1.00 60.34 ATOM 715 O LYS 44 21.516 -29.183 -7.817 1.00 52.04 ATOM 716 N ARG 45 21.222 -31.354 -8.319 1.00 21.32 ATOM 717 HN ARG 45 21.167 -32.266 -7.969 1.00 37.13 ATOM 718 CA ARG 45 21.213 -31.153 -9.771 1.00 11.10 ATOM 719 HA ARG 45 20.988 -30.111 -9.962 1.00 33.33 ATOM 720 CB ARG 45 22.581 -31.492 -10.387 1.00 44.41 ATOM 721 HB1 ARG 45 22.846 -32.504 -10.114 1.00 37.13 ATOM 722 HB2 ARG 45 23.323 -30.815 -9.986 1.00 73.12 ATOM 723 CG ARG 45 22.603 -31.386 -11.912 1.00 10.31 ATOM 724 HG1 ARG 45 22.273 -30.396 -12.198 1.00 37.13 ATOM 725 HG2 ARG 45 21.925 -32.121 -12.321 1.00 52.32 ATOM 726 CD ARG 45 23.995 -31.630 -12.492 1.00 71.42 ATOM 727 HD1 ARG 45 24.355 -32.586 -12.140 1.00 37.13 ATOM 728 HD2 ARG 45 24.660 -30.849 -12.149 1.00 10.40 ATOM 729 NE ARG 45 23.981 -31.641 -13.956 1.00 1.22 ATOM 730 HE ARG 45 23.816 -32.499 -14.399 1.00 70.11 ATOM 731 CZ ARG 45 24.174 -30.590 -14.707 1.00 73.52 ATOM 732 NH1 ARG 45 24.403 -29.430 -14.181 1.00 33.43 ATOM 733 HH11 ARG 45 24.439 -29.329 -13.190 1.00 64.03 ATOM 734 HH12 ARG 45 24.541 -28.638 -14.772 1.00 74.41 ATOM 735 NH2 ARG 45 24.131 -30.701 -15.993 1.00 41.15 ATOM 736 HH21 ARG 45 23.956 -31.593 -16.411 1.00 32.33 ATOM 737 HH22 ARG 45 24.272 -29.897 -16.567 1.00 65.13 ATOM 738 C ARG 45 20.119 -32.017 -10.405 1.00 43.04 ATOM 739 O ARG 45 20.149 -33.245 -10.306 1.00 41.42 ATOM 740 N PHE 46 19.144 -31.374 -11.038 1.00 24.22 ATOM 741 HN PHE 46 19.196 -30.399 -11.131 1.00 37.13 ATOM 742 CA PHE 46 17.995 -32.088 -11.602 1.00 14.01 ATOM 743 HA PHE 46 18.164 -33.148 -11.465 1.00 74.14 ATOM 744 CB PHE 46 16.712 -31.696 -10.856 1.00 14.52 ATOM 745 HB1 PHE 46 15.868 -32.188 -11.322 1.00 37.13 ATOM 746 HB2 PHE 46 16.577 -30.626 -10.923 1.00 73.23 ATOM 747 CG PHE 46 16.719 -32.071 -9.394 1.00 11.34 ATOM 748 CD1 PHE 46 16.125 -33.248 -8.961 1.00 61.13 ATOM 749 HD1 PHE 46 15.652 -33.900 -9.681 1.00 63.41 ATOM 750 CD2 PHE 46 17.322 -31.248 -8.453 1.00 41.32 ATOM 751 HD2 PHE 46 17.789 -30.328 -8.774 1.00 73.02 ATOM 752 CE1 PHE 46 16.132 -33.594 -7.621 1.00 14.12 ATOM 753 HE1 PHE 46 15.666 -34.515 -7.298 1.00 35.21 ATOM 754 CE2 PHE 46 17.330 -31.590 -7.116 1.00 13.21 ATOM 755 HE2 PHE 46 17.802 -30.938 -6.395 1.00 71.10 ATOM 756 CZ PHE 46 16.735 -32.765 -6.699 1.00 32.02 ATOM 757 HZ PHE 46 16.742 -33.034 -5.653 1.00 52.03 ATOM 758 C PHE 46 17.830 -31.812 -13.102 1.00 22.02 ATOM 759 O PHE 46 17.948 -30.674 -13.555 1.00 41.31 ATOM 760 N VAL 47 17.560 -32.872 -13.859 1.00 32.32 ATOM 761 HN VAL 47 17.543 -33.753 -13.438 1.00 37.13 ATOM 762 CA VAL 47 17.293 -32.773 -15.295 1.00 53.22 ATOM 763 HA VAL 47 17.459 -31.749 -15.604 1.00 61.33 ATOM 764 CB VAL 47 18.238 -33.696 -16.113 1.00 42.11 ATOM 765 HB VAL 47 17.999 -34.724 -15.868 1.00 23.35 ATOM 766 CG1 VAL 47 18.021 -33.507 -17.617 1.00 3.23 ATOM 767 HG11 VAL 47 18.677 -34.170 -18.163 1.00 62.32 ATOM 768 HG12 VAL 47 18.237 -32.484 -17.889 1.00 20.11 ATOM 769 HG13 VAL 47 16.994 -33.734 -17.867 1.00 14.53 ATOM 770 CG2 VAL 47 19.700 -33.446 -15.736 1.00 65.34 ATOM 771 HG21 VAL 47 19.844 -33.655 -14.685 1.00 41.25 ATOM 772 HG22 VAL 47 19.955 -32.415 -15.934 1.00 32.42 ATOM 773 HG23 VAL 47 20.341 -34.092 -16.321 1.00 64.14 ATOM 774 C VAL 47 15.835 -33.158 -15.594 1.00 61.53 ATOM 775 O VAL 47 15.478 -34.341 -15.554 1.00 51.52 ATOM 776 N MET 48 14.998 -32.160 -15.872 1.00 22.12 ATOM 777 HN MET 48 15.347 -31.244 -15.897 1.00 37.13 ATOM 778 CA MET 48 13.573 -32.386 -16.158 1.00 43.11 ATOM 779 HA MET 48 13.301 -33.360 -15.777 1.00 4.41 ATOM 780 CB MET 48 12.721 -31.316 -15.455 1.00 11.34 ATOM 781 HB1 MET 48 11.679 -31.505 -15.670 1.00 37.13 ATOM 782 HB2 MET 48 12.988 -30.345 -15.848 1.00 3.22 ATOM 783 CG MET 48 12.896 -31.282 -13.940 1.00 1.20 ATOM 784 HG1 MET 48 12.444 -30.377 -13.559 1.00 37.13 ATOM 785 HG2 MET 48 13.952 -31.272 -13.714 1.00 14.52 ATOM 786 SD MET 48 12.148 -32.696 -13.104 1.00 3.11 ATOM 787 CE MET 48 10.404 -32.341 -13.303 1.00 40.43 ATOM 788 HE1 MET 48 10.160 -32.301 -14.355 1.00 35.33 ATOM 789 HE2 MET 48 10.175 -31.392 -12.842 1.00 40.01 ATOM 790 HE3 MET 48 9.823 -33.119 -12.827 1.00 62.15 ATOM 791 C MET 48 13.303 -32.345 -17.671 1.00 24.21 ATOM 792 O MET 48 14.107 -31.814 -18.435 1.00 1.13 ATOM 793 N GLU 49 12.172 -32.905 -18.095 1.00 62.30 ATOM 794 HN GLU 49 11.589 -33.349 -17.444 1.00 37.13 ATOM 795 CA GLU 49 11.775 -32.887 -19.512 1.00 53.21 ATOM 796 HA GLU 49 12.393 -32.161 -20.022 1.00 14.41 ATOM 797 CB GLU 49 12.005 -34.267 -20.151 1.00 2.53 ATOM 798 HB1 GLU 49 11.392 -34.997 -19.640 1.00 37.13 ATOM 799 HB2 GLU 49 13.044 -34.537 -20.027 1.00 42.53 ATOM 800 CG GLU 49 11.673 -34.323 -21.641 1.00 61.12 ATOM 801 HG1 GLU 49 12.249 -33.564 -22.150 1.00 37.13 ATOM 802 HG2 GLU 49 10.619 -34.113 -21.771 1.00 74.44 ATOM 803 CD GLU 49 11.984 -35.676 -22.269 1.00 33.31 ATOM 804 OE1 GLU 49 13.071 -35.827 -22.876 1.00 51.03 ATOM 805 OE2 GLU 49 11.141 -36.588 -22.174 1.00 43.01 ATOM 806 C GLU 49 10.305 -32.473 -19.676 1.00 13.30 ATOM 807 O GLU 49 9.449 -32.835 -18.862 1.00 1.11 ATOM 808 N VAL 50 10.023 -31.704 -20.726 1.00 65.11 ATOM 809 HN VAL 50 10.753 -31.415 -21.308 1.00 37.13 ATOM 810 CA VAL 50 8.657 -31.274 -21.031 1.00 41.13 ATOM 811 HA VAL 50 7.988 -31.862 -20.418 1.00 15.24 ATOM 812 CB VAL 50 8.430 -29.778 -20.674 1.00 71.01 ATOM 813 HB VAL 50 8.572 -29.663 -19.608 1.00 42.41 ATOM 814 CG1 VAL 50 9.444 -28.879 -21.382 1.00 0.22 ATOM 815 HG11 VAL 50 9.277 -27.850 -21.097 1.00 12.44 ATOM 816 HG12 VAL 50 9.330 -28.977 -22.452 1.00 54.25 ATOM 817 HG13 VAL 50 10.445 -29.172 -21.100 1.00 60.11 ATOM 818 CG2 VAL 50 6.998 -29.353 -21.008 1.00 51.01 ATOM 819 HG21 VAL 50 6.838 -28.333 -20.687 1.00 4.14 ATOM 820 HG22 VAL 50 6.299 -30.002 -20.501 1.00 41.40 ATOM 821 HG23 VAL 50 6.840 -29.421 -22.076 1.00 71.25 ATOM 822 C VAL 50 8.297 -31.514 -22.507 1.00 43.33 ATOM 823 O VAL 50 8.935 -30.979 -23.415 1.00 54.03 ATOM 824 N GLU 51 7.284 -32.343 -22.739 1.00 0.42 ATOM 825 HN GLU 51 6.894 -32.838 -21.990 1.00 37.13 ATOM 826 CA GLU 51 6.757 -32.558 -24.089 1.00 32.15 ATOM 827 HA GLU 51 7.592 -32.541 -24.777 1.00 65.44 ATOM 828 CB GLU 51 6.067 -33.927 -24.188 1.00 23.45 ATOM 829 HB1 GLU 51 5.339 -34.010 -23.394 1.00 37.13 ATOM 830 HB2 GLU 51 6.811 -34.702 -24.063 1.00 62.14 ATOM 831 CG GLU 51 5.353 -34.157 -25.520 1.00 71.15 ATOM 832 HG1 GLU 51 6.087 -34.116 -26.315 1.00 37.13 ATOM 833 HG2 GLU 51 4.630 -33.368 -25.666 1.00 53.03 ATOM 834 CD GLU 51 4.628 -35.491 -25.591 1.00 14.10 ATOM 835 OE1 GLU 51 4.970 -36.312 -26.467 1.00 61.01 ATOM 836 OE2 GLU 51 3.710 -35.715 -24.778 1.00 21.21 ATOM 837 C GLU 51 5.772 -31.446 -24.488 1.00 70.15 ATOM 838 O GLU 51 4.695 -31.310 -23.905 1.00 21.33 ATOM 839 N VAL 52 6.166 -30.643 -25.471 1.00 50.04 ATOM 840 HN VAL 52 7.080 -30.731 -25.813 1.00 37.13 ATOM 841 CA VAL 52 5.294 -29.616 -26.045 1.00 54.04 ATOM 842 HA VAL 52 4.377 -29.590 -25.469 1.00 72.03 ATOM 843 CB VAL 52 5.953 -28.213 -25.982 1.00 32.42 ATOM 844 HB VAL 52 6.811 -28.212 -26.642 1.00 24.30 ATOM 845 CG1 VAL 52 4.983 -27.135 -26.463 1.00 5.31 ATOM 846 HG11 VAL 52 4.703 -27.330 -27.489 1.00 60.54 ATOM 847 HG12 VAL 52 5.457 -26.166 -26.400 1.00 53.22 ATOM 848 HG13 VAL 52 4.099 -27.141 -25.841 1.00 11.01 ATOM 849 CG2 VAL 52 6.441 -27.909 -24.567 1.00 73.22 ATOM 850 HG21 VAL 52 5.599 -27.906 -23.888 1.00 1.52 ATOM 851 HG22 VAL 52 6.918 -26.941 -24.551 1.00 2.22 ATOM 852 HG23 VAL 52 7.150 -28.664 -24.258 1.00 14.23 ATOM 853 C VAL 52 4.956 -29.953 -27.507 1.00 20.31 ATOM 854 O VAL 52 5.832 -29.929 -28.376 1.00 62.14 ATOM 855 N ASP 53 3.689 -30.283 -27.770 1.00 13.34 ATOM 856 HN ASP 53 3.034 -30.262 -27.043 1.00 37.13 ATOM 857 CA ASP 53 3.245 -30.668 -29.118 1.00 43.22 ATOM 858 HA ASP 53 2.221 -31.005 -29.037 1.00 72.12 ATOM 859 CB ASP 53 3.288 -29.450 -30.056 1.00 63.34 ATOM 860 HB1 ASP 53 3.045 -29.765 -31.060 1.00 37.13 ATOM 861 HB2 ASP 53 4.285 -29.032 -30.048 1.00 2.53 ATOM 862 CG ASP 53 2.304 -28.370 -29.640 1.00 64.44 ATOM 863 OD1 ASP 53 2.686 -27.182 -29.610 1.00 60.44 ATOM 864 OD2 ASP 53 1.141 -28.706 -29.340 1.00 24.20 ATOM 865 C ASP 53 4.089 -31.829 -29.683 1.00 11.21 ATOM 866 O ASP 53 4.572 -31.774 -30.818 1.00 14.12 ATOM 867 N GLY 54 4.261 -32.880 -28.879 1.00 3.24 ATOM 868 HN GLY 54 3.839 -32.874 -27.995 1.00 37.13 ATOM 869 CA GLY 54 5.043 -34.045 -29.302 1.00 3.14 ATOM 870 HA1 GLY 54 4.818 -34.259 -30.339 1.00 37.13 ATOM 871 HA2 GLY 54 4.744 -34.892 -28.705 1.00 20.20 ATOM 872 C GLY 54 6.556 -33.861 -29.156 1.00 32.44 ATOM 873 O GLY 54 7.309 -34.837 -29.158 1.00 45.32 ATOM 874 N GLN 55 6.997 -32.615 -29.009 1.00 42.21 ATOM 875 HN GLN 55 6.344 -31.888 -28.933 1.00 37.13 ATOM 876 CA GLN 55 8.427 -32.286 -28.955 1.00 51.35 ATOM 877 HA GLN 55 8.971 -33.031 -29.521 1.00 73.41 ATOM 878 CB GLN 55 8.649 -30.907 -29.593 1.00 62.13 ATOM 879 HB1 GLN 55 9.711 -30.711 -29.641 1.00 37.13 ATOM 880 HB2 GLN 55 8.183 -30.157 -28.970 1.00 33.21 ATOM 881 CG GLN 55 8.077 -30.785 -31.002 1.00 61.44 ATOM 882 HG1 GLN 55 7.098 -31.244 -31.019 1.00 37.13 ATOM 883 HG2 GLN 55 8.727 -31.309 -31.688 1.00 30.34 ATOM 884 CD GLN 55 7.944 -29.343 -31.465 1.00 2.43 ATOM 885 OE1 GLN 55 8.851 -28.779 -32.071 1.00 11.33 ATOM 886 NE2 GLN 55 6.812 -28.733 -31.172 1.00 53.24 ATOM 887 HE21 GLN 55 6.130 -29.235 -30.679 1.00 34.25 ATOM 888 HE22 GLN 55 6.702 -27.805 -31.454 1.00 2.52 ATOM 889 C GLN 55 8.939 -32.274 -27.505 1.00 72.31 ATOM 890 O GLN 55 8.470 -31.491 -26.684 1.00 2.22 ATOM 891 N LYS 56 9.899 -33.143 -27.192 1.00 25.23 ATOM 892 HN LYS 56 10.248 -33.736 -27.888 1.00 37.13 ATOM 893 CA LYS 56 10.457 -33.226 -25.831 1.00 40.44 ATOM 894 HA LYS 56 9.674 -32.942 -25.138 1.00 50.34 ATOM 895 CB LYS 56 10.906 -34.664 -25.502 1.00 12.22 ATOM 896 HB1 LYS 56 11.476 -34.645 -24.582 1.00 37.13 ATOM 897 HB2 LYS 56 11.549 -35.018 -26.296 1.00 11.20 ATOM 898 CG LYS 56 9.768 -35.669 -25.330 1.00 74.33 ATOM 899 HG1 LYS 56 9.084 -35.291 -24.584 1.00 37.13 ATOM 900 HG2 LYS 56 10.182 -36.607 -24.992 1.00 34.12 ATOM 901 CD LYS 56 9.002 -35.906 -26.628 1.00 63.40 ATOM 902 HD1 LYS 56 9.704 -36.169 -27.408 1.00 37.13 ATOM 903 HD2 LYS 56 8.484 -34.997 -26.902 1.00 31.11 ATOM 904 CE LYS 56 7.981 -37.025 -26.485 1.00 71.03 ATOM 905 HE1 LYS 56 7.330 -36.797 -25.653 1.00 37.13 ATOM 906 HE2 LYS 56 8.501 -37.951 -26.289 1.00 62.34 ATOM 907 NZ LYS 56 7.157 -37.180 -27.715 1.00 73.35 ATOM 908 HZ1 LYS 56 6.427 -36.439 -27.748 1.00 4.32 ATOM 909 HZ2 LYS 56 6.688 -38.106 -27.721 1.00 33.53 ATOM 910 HZ3 LYS 56 7.755 -37.097 -28.563 1.00 42.24 ATOM 911 C LYS 56 11.644 -32.270 -25.647 1.00 1.21 ATOM 912 O LYS 56 12.636 -32.351 -26.373 1.00 72.11 ATOM 913 N PHE 57 11.534 -31.369 -24.672 1.00 64.25 ATOM 914 HN PHE 57 10.693 -31.316 -24.168 1.00 37.13 ATOM 915 CA PHE 57 12.621 -30.443 -24.332 1.00 21.53 ATOM 916 HA PHE 57 13.447 -30.633 -25.008 1.00 43.31 ATOM 917 CB PHE 57 12.159 -28.991 -24.508 1.00 32.41 ATOM 918 HB1 PHE 57 12.974 -28.330 -24.249 1.00 37.13 ATOM 919 HB2 PHE 57 11.327 -28.801 -23.844 1.00 3.01 ATOM 920 CG PHE 57 11.720 -28.663 -25.913 1.00 44.31 ATOM 921 CD1 PHE 57 10.379 -28.715 -26.270 1.00 70.33 ATOM 922 HD1 PHE 57 9.642 -28.997 -25.530 1.00 73.03 ATOM 923 CD2 PHE 57 12.651 -28.301 -26.877 1.00 42.22 ATOM 924 HD2 PHE 57 13.699 -28.258 -26.614 1.00 42.14 ATOM 925 CE1 PHE 57 9.979 -28.411 -27.558 1.00 2.52 ATOM 926 HE1 PHE 57 8.934 -28.456 -27.823 1.00 31.35 ATOM 927 CE2 PHE 57 12.255 -27.998 -28.164 1.00 1.42 ATOM 928 HE2 PHE 57 12.991 -27.715 -28.903 1.00 35.11 ATOM 929 CZ PHE 57 10.918 -28.052 -28.506 1.00 75.42 ATOM 930 HZ PHE 57 10.608 -27.813 -29.513 1.00 61.20 ATOM 931 C PHE 57 13.097 -30.668 -22.887 1.00 63.31 ATOM 932 O PHE 57 12.301 -30.620 -21.951 1.00 3.35 ATOM 933 N GLN 58 14.395 -30.909 -22.709 1.00 23.04 ATOM 934 HN GLN 58 14.987 -30.923 -23.490 1.00 37.13 ATOM 935 CA GLN 58 14.966 -31.155 -21.374 1.00 73.31 ATOM 936 HA GLN 58 14.149 -31.407 -20.710 1.00 74.13 ATOM 937 CB GLN 58 15.948 -32.339 -21.411 1.00 34.32 ATOM 938 HB1 GLN 58 16.539 -32.332 -20.505 1.00 37.13 ATOM 939 HB2 GLN 58 16.608 -32.217 -22.259 1.00 32.11 ATOM 940 CG GLN 58 15.274 -33.701 -21.529 1.00 61.34 ATOM 941 HG1 GLN 58 14.734 -33.741 -22.465 1.00 37.13 ATOM 942 HG2 GLN 58 14.578 -33.815 -20.710 1.00 64.21 ATOM 943 CD GLN 58 16.262 -34.857 -21.487 1.00 14.42 ATOM 944 OE1 GLN 58 17.330 -34.760 -20.889 1.00 11.33 ATOM 945 NE2 GLN 58 15.903 -35.972 -22.091 1.00 0.13 ATOM 946 HE21 GLN 58 15.024 -36.004 -22.526 1.00 31.24 ATOM 947 HE22 GLN 58 16.535 -36.719 -22.085 1.00 23.34 ATOM 948 C GLN 58 15.682 -29.920 -20.809 1.00 34.54 ATOM 949 O GLN 58 16.041 -28.996 -21.541 1.00 13.21 ATOM 950 N GLY 59 15.886 -29.919 -19.495 1.00 54.21 ATOM 951 HN GLY 59 15.550 -30.672 -18.962 1.00 37.13 ATOM 952 CA GLY 59 16.584 -28.824 -18.834 1.00 4.41 ATOM 953 HA1 GLY 59 15.883 -28.022 -18.653 1.00 37.13 ATOM 954 HA2 GLY 59 17.367 -28.461 -19.486 1.00 1.44 ATOM 955 C GLY 59 17.206 -29.238 -17.506 1.00 74.22 ATOM 956 O GLY 59 16.590 -29.965 -16.726 1.00 13.12 ATOM 957 N ALA 60 18.421 -28.770 -17.242 1.00 53.32 ATOM 958 HN ALA 60 18.851 -28.171 -17.889 1.00 37.13 ATOM 959 CA ALA 60 19.140 -29.122 -16.012 1.00 74.24 ATOM 960 HA ALA 60 18.536 -29.833 -15.462 1.00 44.23 ATOM 961 CB ALA 60 20.468 -29.794 -16.354 1.00 41.23 ATOM 962 HB1 ALA 60 21.100 -29.095 -16.885 1.00 11.23 ATOM 963 HB2 ALA 60 20.287 -30.658 -16.978 1.00 11.51 ATOM 964 HB3 ALA 60 20.962 -30.105 -15.446 1.00 72.53 ATOM 965 C ALA 60 19.377 -27.886 -15.135 1.00 61.14 ATOM 966 O ALA 60 20.003 -26.915 -15.572 1.00 21.32 ATOM 967 N GLY 61 18.889 -27.930 -13.896 1.00 70.23 ATOM 968 HN GLY 61 18.443 -28.749 -13.586 1.00 37.13 ATOM 969 CA GLY 61 19.012 -26.787 -12.993 1.00 35.22 ATOM 970 HA1 GLY 61 18.077 -26.246 -12.997 1.00 37.13 ATOM 971 HA2 GLY 61 19.790 -26.133 -13.362 1.00 25.01 ATOM 972 C GLY 61 19.345 -27.175 -11.555 1.00 53.10 ATOM 973 O GLY 61 19.370 -28.358 -11.207 1.00 54.34 ATOM 974 N SER 62 19.585 -26.164 -10.713 1.00 22.32 ATOM 975 HN SER 62 19.525 -25.245 -11.053 1.00 37.13 ATOM 976 CA SER 62 19.960 -26.378 -9.300 1.00 34.33 ATOM 977 HA SER 62 20.856 -26.984 -9.290 1.00 73.22 ATOM 978 CB SER 62 20.269 -25.035 -8.623 1.00 3.43 ATOM 979 HB1 SER 62 20.556 -25.209 -7.596 1.00 37.13 ATOM 980 HB2 SER 62 19.387 -24.411 -8.647 1.00 52.42 ATOM 981 OG SER 62 21.327 -24.348 -9.279 1.00 74.01 ATOM 982 HG SER 62 22.162 -24.797 -9.090 1.00 45.12 ATOM 983 C SER 62 18.867 -27.113 -8.503 1.00 43.41 ATOM 984 O SER 62 19.121 -27.630 -7.417 1.00 70.53 ATOM 985 N ASN 63 17.650 -27.135 -9.034 1.00 42.54 ATOM 986 HN ASN 63 17.492 -26.658 -9.873 1.00 37.13 ATOM 987 CA ASN 63 16.536 -27.866 -8.416 1.00 2.12 ATOM 988 HA ASN 63 16.932 -28.794 -8.028 1.00 32.12 ATOM 989 CB ASN 63 15.923 -27.067 -7.256 1.00 22.44 ATOM 990 HB1 ASN 63 16.649 -26.987 -6.458 1.00 37.13 ATOM 991 HB2 ASN 63 15.052 -27.587 -6.888 1.00 51.35 ATOM 992 CG ASN 63 15.505 -25.670 -7.662 1.00 70.10 ATOM 993 OD1 ASN 63 14.418 -25.460 -8.191 1.00 34.25 ATOM 994 ND2 ASN 63 16.354 -24.699 -7.399 1.00 61.44 ATOM 995 HD21 ASN 63 17.201 -24.928 -6.959 1.00 13.43 ATOM 996 HD22 ASN 63 16.100 -23.788 -7.642 1.00 42.30 ATOM 997 C ASN 63 15.462 -28.200 -9.460 1.00 31.12 ATOM 998 O ASN 63 15.554 -27.763 -10.606 1.00 2.03 ATOM 999 N LYS 64 14.443 -28.966 -9.063 1.00 14.54 ATOM 1000 HN LYS 64 14.394 -29.248 -8.125 1.00 37.13 ATOM 1001 CA LYS 64 13.389 -29.398 -9.999 1.00 34.22 ATOM 1002 HA LYS 64 13.876 -29.955 -10.787 1.00 4.43 ATOM 1003 CB LYS 64 12.385 -30.328 -9.300 1.00 71.13 ATOM 1004 HB1 LYS 64 11.564 -30.528 -9.975 1.00 37.13 ATOM 1005 HB2 LYS 64 12.002 -29.833 -8.419 1.00 21.33 ATOM 1006 CG LYS 64 12.992 -31.663 -8.878 1.00 22.14 ATOM 1007 HG1 LYS 64 13.788 -31.473 -8.170 1.00 37.13 ATOM 1008 HG2 LYS 64 13.400 -32.148 -9.754 1.00 5.11 ATOM 1009 CD LYS 64 11.966 -32.598 -8.236 1.00 45.33 ATOM 1010 HD1 LYS 64 11.191 -32.819 -8.957 1.00 37.13 ATOM 1011 HD2 LYS 64 11.531 -32.107 -7.379 1.00 44.51 ATOM 1012 CE LYS 64 12.608 -33.908 -7.782 1.00 54.12 ATOM 1013 HE1 LYS 64 13.367 -33.685 -7.047 1.00 37.13 ATOM 1014 HE2 LYS 64 13.069 -34.383 -8.636 1.00 75.40 ATOM 1015 NZ LYS 64 11.623 -34.853 -7.186 1.00 5.42 ATOM 1016 HZ1 LYS 64 12.102 -35.727 -6.880 1.00 54.52 ATOM 1017 HZ2 LYS 64 10.897 -35.100 -7.883 1.00 21.34 ATOM 1018 HZ3 LYS 64 11.159 -34.421 -6.362 1.00 15.11 ATOM 1019 C LYS 64 12.659 -28.207 -10.641 1.00 42.44 ATOM 1020 O LYS 64 12.391 -28.216 -11.839 1.00 2.25 ATOM 1021 N LYS 65 12.352 -27.184 -9.848 1.00 31.13 ATOM 1022 HN LYS 65 12.566 -27.241 -8.894 1.00 37.13 ATOM 1023 CA LYS 65 11.698 -25.973 -10.366 1.00 64.23 ATOM 1024 HA LYS 65 10.761 -26.271 -10.819 1.00 61.25 ATOM 1025 CB LYS 65 11.411 -24.996 -9.220 1.00 35.24 ATOM 1026 HB1 LYS 65 10.894 -24.134 -9.618 1.00 37.13 ATOM 1027 HB2 LYS 65 12.351 -24.673 -8.796 1.00 63.33 ATOM 1028 CG LYS 65 10.559 -25.586 -8.099 1.00 21.22 ATOM 1029 HG1 LYS 65 11.038 -26.482 -7.730 1.00 37.13 ATOM 1030 HG2 LYS 65 9.584 -25.837 -8.494 1.00 11.32 ATOM 1031 CD LYS 65 10.385 -24.603 -6.942 1.00 13.33 ATOM 1032 HD1 LYS 65 9.775 -25.064 -6.178 1.00 37.13 ATOM 1033 HD2 LYS 65 9.890 -23.715 -7.309 1.00 63.22 ATOM 1034 CE LYS 65 11.726 -24.204 -6.333 1.00 10.22 ATOM 1035 HE1 LYS 65 12.332 -23.743 -7.099 1.00 37.13 ATOM 1036 HE2 LYS 65 12.223 -25.091 -5.971 1.00 33.32 ATOM 1037 NZ LYS 65 11.572 -23.246 -5.204 1.00 0.32 ATOM 1038 HZ1 LYS 65 12.509 -22.969 -4.841 1.00 65.23 ATOM 1039 HZ2 LYS 65 11.035 -23.686 -4.430 1.00 72.22 ATOM 1040 HZ3 LYS 65 11.068 -22.392 -5.519 1.00 2.43 ATOM 1041 C LYS 65 12.570 -25.284 -11.431 1.00 2.00 ATOM 1042 O LYS 65 12.129 -25.050 -12.556 1.00 41.25 ATOM 1043 N VAL 66 13.814 -24.973 -11.064 1.00 34.03 ATOM 1044 HN VAL 66 14.097 -25.162 -10.143 1.00 37.13 ATOM 1045 CA VAL 66 14.772 -24.351 -11.989 1.00 34.31 ATOM 1046 HA VAL 66 14.353 -23.407 -12.311 1.00 10.44 ATOM 1047 CB VAL 66 16.118 -24.063 -11.273 1.00 0.10 ATOM 1048 HB VAL 66 16.489 -24.994 -10.867 1.00 53.13 ATOM 1049 CG1 VAL 66 17.159 -23.524 -12.249 1.00 11.24 ATOM 1050 HG11 VAL 66 17.320 -24.242 -13.040 1.00 23.33 ATOM 1051 HG12 VAL 66 18.089 -23.352 -11.726 1.00 43.20 ATOM 1052 HG13 VAL 66 16.809 -22.595 -12.674 1.00 52.35 ATOM 1053 CG2 VAL 66 15.911 -23.089 -10.114 1.00 14.42 ATOM 1054 HG21 VAL 66 15.185 -23.496 -9.425 1.00 52.11 ATOM 1055 HG22 VAL 66 15.555 -22.142 -10.494 1.00 52.44 ATOM 1056 HG23 VAL 66 16.849 -22.938 -9.597 1.00 23.33 ATOM 1057 C VAL 66 15.018 -25.231 -13.231 1.00 71.03 ATOM 1058 O VAL 66 15.156 -24.727 -14.347 1.00 1.41 ATOM 1059 N ALA 67 15.051 -26.548 -13.034 1.00 21.51 ATOM 1060 HN ALA 67 14.958 -26.894 -12.122 1.00 37.13 ATOM 1061 CA ALA 67 15.214 -27.494 -14.143 1.00 64.23 ATOM 1062 HA ALA 67 16.106 -27.214 -14.691 1.00 13.13 ATOM 1063 CB ALA 67 15.412 -28.905 -13.605 1.00 71.30 ATOM 1064 HB1 ALA 67 14.523 -29.219 -13.076 1.00 51.44 ATOM 1065 HB2 ALA 67 16.255 -28.919 -12.928 1.00 62.23 ATOM 1066 HB3 ALA 67 15.601 -29.584 -14.425 1.00 54.33 ATOM 1067 C ALA 67 14.008 -27.438 -15.094 1.00 41.43 ATOM 1068 O ALA 67 14.166 -27.413 -16.316 1.00 71.35 ATOM 1069 N LYS 68 12.801 -27.411 -14.519 1.00 60.21 ATOM 1070 HN LYS 68 12.737 -27.513 -13.545 1.00 37.13 ATOM 1071 CA LYS 68 11.571 -27.234 -15.301 1.00 22.22 ATOM 1072 HA LYS 68 11.517 -28.041 -16.021 1.00 74.14 ATOM 1073 CB LYS 68 10.335 -27.293 -14.389 1.00 51.54 ATOM 1074 HB1 LYS 68 9.465 -26.999 -14.961 1.00 37.13 ATOM 1075 HB2 LYS 68 10.470 -26.593 -13.575 1.00 75.04 ATOM 1076 CG LYS 68 10.069 -28.671 -13.791 1.00 60.21 ATOM 1077 HG1 LYS 68 10.965 -29.010 -13.288 1.00 37.13 ATOM 1078 HG2 LYS 68 9.826 -29.358 -14.589 1.00 52.14 ATOM 1079 CD LYS 68 8.916 -28.652 -12.786 1.00 41.33 ATOM 1080 HD1 LYS 68 9.160 -27.963 -11.988 1.00 37.13 ATOM 1081 HD2 LYS 68 8.794 -29.644 -12.376 1.00 35.53 ATOM 1082 CE LYS 68 7.600 -28.220 -13.424 1.00 14.20 ATOM 1083 HE1 LYS 68 7.368 -28.892 -14.238 1.00 37.13 ATOM 1084 HE2 LYS 68 7.714 -27.216 -13.812 1.00 4.23 ATOM 1085 NZ LYS 68 6.479 -28.233 -12.448 1.00 71.31 ATOM 1086 HZ1 LYS 68 6.688 -27.594 -11.653 1.00 53.11 ATOM 1087 HZ2 LYS 68 6.332 -29.193 -12.076 1.00 40.44 ATOM 1088 HZ3 LYS 68 5.603 -27.916 -12.907 1.00 23.22 ATOM 1089 C LYS 68 11.591 -25.900 -16.057 1.00 62.12 ATOM 1090 O LYS 68 11.076 -25.798 -17.169 1.00 52.11 ATOM 1091 N ALA 69 12.185 -24.879 -15.439 1.00 60.51 ATOM 1092 HN ALA 69 12.529 -25.011 -14.528 1.00 37.13 ATOM 1093 CA ALA 69 12.329 -23.565 -16.068 1.00 41.02 ATOM 1094 HA ALA 69 11.345 -23.241 -16.386 1.00 12.10 ATOM 1095 CB ALA 69 12.849 -22.555 -15.053 1.00 54.15 ATOM 1096 HB1 ALA 69 12.891 -21.574 -15.505 1.00 14.34 ATOM 1097 HB2 ALA 69 13.839 -22.843 -14.730 1.00 31.13 ATOM 1098 HB3 ALA 69 12.187 -22.529 -14.199 1.00 30.44 ATOM 1099 C ALA 69 13.249 -23.626 -17.299 1.00 24.34 ATOM 1100 O ALA 69 12.922 -23.078 -18.350 1.00 45.34 ATOM 1101 N TYR 70 14.396 -24.298 -17.168 1.00 1.23 ATOM 1102 HN TYR 70 14.628 -24.681 -16.293 1.00 37.13 ATOM 1103 CA TYR 70 15.317 -24.479 -18.302 1.00 30.25 ATOM 1104 HA TYR 70 15.524 -23.497 -18.712 1.00 13.24 ATOM 1105 CB TYR 70 16.642 -25.104 -17.838 1.00 15.45 ATOM 1106 HB1 TYR 70 17.163 -25.508 -18.696 1.00 37.13 ATOM 1107 HB2 TYR 70 16.431 -25.906 -17.145 1.00 51.42 ATOM 1108 CG TYR 70 17.576 -24.123 -17.151 1.00 72.45 ATOM 1109 CD1 TYR 70 17.987 -24.317 -15.836 1.00 73.33 ATOM 1110 HD1 TYR 70 17.633 -25.183 -15.295 1.00 15.31 ATOM 1111 CD2 TYR 70 18.046 -23.002 -17.826 1.00 20.31 ATOM 1112 HD2 TYR 70 17.734 -22.835 -18.848 1.00 34.52 ATOM 1113 CE1 TYR 70 18.840 -23.422 -15.218 1.00 22.21 ATOM 1114 HE1 TYR 70 19.150 -23.588 -14.195 1.00 11.52 ATOM 1115 CE2 TYR 70 18.897 -22.104 -17.214 1.00 3.44 ATOM 1116 HE2 TYR 70 19.249 -21.239 -17.757 1.00 21.45 ATOM 1117 CZ TYR 70 19.290 -22.318 -15.910 1.00 54.32 ATOM 1118 OH TYR 70 20.139 -21.425 -15.297 1.00 40.00 ATOM 1119 HH TYR 70 20.822 -21.911 -14.817 1.00 10.33 ATOM 1120 C TYR 70 14.692 -25.339 -19.411 1.00 12.30 ATOM 1121 O TYR 70 14.905 -25.084 -20.598 1.00 5.00 ATOM 1122 N ALA 71 13.937 -26.363 -19.023 1.00 41.24 ATOM 1123 HN ALA 71 13.865 -26.569 -18.065 1.00 37.13 ATOM 1124 CA ALA 71 13.218 -27.198 -19.992 1.00 70.31 ATOM 1125 HA ALA 71 13.934 -27.550 -20.724 1.00 75.14 ATOM 1126 CB ALA 71 12.614 -28.411 -19.294 1.00 71.12 ATOM 1127 HB1 ALA 71 13.392 -28.956 -18.781 1.00 73.25 ATOM 1128 HB2 ALA 71 12.148 -29.055 -20.026 1.00 53.15 ATOM 1129 HB3 ALA 71 11.871 -28.086 -18.578 1.00 10.23 ATOM 1130 C ALA 71 12.127 -26.390 -20.709 1.00 75.31 ATOM 1131 O ALA 71 11.994 -26.439 -21.936 1.00 22.24 ATOM 1132 N ALA 72 11.359 -25.632 -19.930 1.00 40.14 ATOM 1133 HN ALA 72 11.514 -25.643 -18.963 1.00 37.13 ATOM 1134 CA ALA 72 10.291 -24.789 -20.467 1.00 71.35 ATOM 1135 HA ALA 72 9.639 -25.421 -21.057 1.00 14.22 ATOM 1136 CB ALA 72 9.466 -24.197 -19.333 1.00 52.32 ATOM 1137 HB1 ALA 72 10.097 -23.575 -18.714 1.00 73.13 ATOM 1138 HB2 ALA 72 9.050 -24.995 -18.733 1.00 43.11 ATOM 1139 HB3 ALA 72 8.664 -23.601 -19.743 1.00 21.42 ATOM 1140 C ALA 72 10.847 -23.676 -21.372 1.00 2.34 ATOM 1141 O ALA 72 10.251 -23.352 -22.394 1.00 50.22 ATOM 1142 N LEU 73 11.986 -23.091 -20.991 1.00 65.25 ATOM 1143 HN LEU 73 12.375 -23.325 -20.123 1.00 37.13 ATOM 1144 CA LEU 73 12.671 -22.101 -21.842 1.00 12.44 ATOM 1145 HA LEU 73 11.959 -21.315 -22.071 1.00 12.21 ATOM 1146 CB LEU 73 13.876 -21.483 -21.107 1.00 44.22 ATOM 1147 HB1 LEU 73 14.529 -21.031 -21.842 1.00 37.13 ATOM 1148 HB2 LEU 73 14.416 -22.282 -20.617 1.00 14.04 ATOM 1149 CG LEU 73 13.532 -20.419 -20.051 1.00 73.31 ATOM 1150 HG LEU 73 12.865 -20.854 -19.319 1.00 51.43 ATOM 1151 CD1 LEU 73 14.788 -19.953 -19.316 1.00 33.51 ATOM 1152 HD11 LEU 73 15.253 -20.796 -18.827 1.00 0.12 ATOM 1153 HD12 LEU 73 14.519 -19.213 -18.575 1.00 22.52 ATOM 1154 HD13 LEU 73 15.482 -19.518 -20.022 1.00 43.40 ATOM 1155 CD2 LEU 73 12.813 -19.232 -20.695 1.00 23.23 ATOM 1156 HD21 LEU 73 13.452 -18.784 -21.444 1.00 22.03 ATOM 1157 HD22 LEU 73 12.578 -18.498 -19.939 1.00 13.35 ATOM 1158 HD23 LEU 73 11.899 -19.573 -21.159 1.00 40.24 ATOM 1159 C LEU 73 13.128 -22.739 -23.159 1.00 73.10 ATOM 1160 O LEU 73 12.968 -22.155 -24.227 1.00 71.24 ATOM 1161 N ALA 74 13.684 -23.947 -23.078 1.00 2.13 ATOM 1162 HN ALA 74 13.826 -24.349 -22.194 1.00 37.13 ATOM 1163 CA ALA 74 14.093 -24.689 -24.278 1.00 35.44 ATOM 1164 HA ALA 74 14.854 -24.109 -24.785 1.00 70.35 ATOM 1165 CB ALA 74 14.702 -26.030 -23.889 1.00 61.45 ATOM 1166 HB1 ALA 74 13.952 -26.643 -23.410 1.00 74.44 ATOM 1167 HB2 ALA 74 15.524 -25.869 -23.206 1.00 0.25 ATOM 1168 HB3 ALA 74 15.064 -26.532 -24.775 1.00 71.02 ATOM 1169 C ALA 74 12.909 -24.896 -25.236 1.00 4.44 ATOM 1170 O ALA 74 13.087 -24.997 -26.450 1.00 35.23 ATOM 1171 N ALA 75 11.704 -24.965 -24.675 1.00 33.14 ATOM 1172 HN ALA 75 11.639 -24.953 -23.697 1.00 37.13 ATOM 1173 CA ALA 75 10.476 -25.076 -25.468 1.00 25.22 ATOM 1174 HA ALA 75 10.680 -25.721 -26.312 1.00 33.52 ATOM 1175 CB ALA 75 9.377 -25.722 -24.633 1.00 71.22 ATOM 1176 HB1 ALA 75 8.493 -25.856 -25.240 1.00 20.32 ATOM 1177 HB2 ALA 75 9.143 -25.085 -23.793 1.00 74.22 ATOM 1178 HB3 ALA 75 9.715 -26.683 -24.272 1.00 43.33 ATOM 1179 C ALA 75 10.013 -23.705 -25.989 1.00 14.03 ATOM 1180 O ALA 75 9.825 -23.518 -27.191 1.00 30.01 ATOM 1181 N LEU 76 9.836 -22.750 -25.074 1.00 21.12 ATOM 1182 HN LEU 76 10.018 -22.958 -24.135 1.00 37.13 ATOM 1183 CA LEU 76 9.373 -21.398 -25.421 1.00 23.14 ATOM 1184 HA LEU 76 8.391 -21.500 -25.864 1.00 53.32 ATOM 1185 CB LEU 76 9.249 -20.537 -24.154 1.00 55.11 ATOM 1186 HB1 LEU 76 9.182 -19.500 -24.447 1.00 37.13 ATOM 1187 HB2 LEU 76 10.150 -20.667 -23.570 1.00 32.12 ATOM 1188 CG LEU 76 8.044 -20.863 -23.256 1.00 65.02 ATOM 1189 HG LEU 76 8.099 -21.900 -22.956 1.00 61.30 ATOM 1190 CD1 LEU 76 8.064 -20.010 -21.993 1.00 35.45 ATOM 1191 HD11 LEU 76 7.229 -20.281 -21.362 1.00 24.01 ATOM 1192 HD12 LEU 76 7.989 -18.965 -22.258 1.00 74.31 ATOM 1193 HD13 LEU 76 8.987 -20.180 -21.457 1.00 53.12 ATOM 1194 CD2 LEU 76 6.732 -20.661 -24.015 1.00 64.31 ATOM 1195 HD21 LEU 76 6.710 -21.312 -24.877 1.00 61.10 ATOM 1196 HD22 LEU 76 6.656 -19.633 -24.339 1.00 62.45 ATOM 1197 HD23 LEU 76 5.899 -20.896 -23.367 1.00 44.42 ATOM 1198 C LEU 76 10.292 -20.710 -26.441 1.00 24.31 ATOM 1199 O LEU 76 9.834 -20.249 -27.478 1.00 62.22 ATOM 1200 N GLU 77 11.587 -20.663 -26.154 1.00 15.34 ATOM 1201 HN GLU 77 11.906 -21.075 -25.326 1.00 37.13 ATOM 1202 CA GLU 77 12.555 -20.004 -27.043 1.00 42.01 ATOM 1203 HA GLU 77 12.205 -18.994 -27.214 1.00 12.14 ATOM 1204 CB GLU 77 13.933 -19.935 -26.367 1.00 4.53 ATOM 1205 HB1 GLU 77 14.613 -19.397 -27.014 1.00 37.13 ATOM 1206 HB2 GLU 77 14.303 -20.941 -26.232 1.00 40.31 ATOM 1207 CG GLU 77 13.922 -19.242 -25.003 1.00 13.54 ATOM 1208 HG1 GLU 77 14.921 -19.283 -24.589 1.00 37.13 ATOM 1209 HG2 GLU 77 13.248 -19.778 -24.351 1.00 11.04 ATOM 1210 CD GLU 77 13.480 -17.784 -25.067 1.00 50.25 ATOM 1211 OE1 GLU 77 14.339 -16.907 -25.305 1.00 15.13 ATOM 1212 OE2 GLU 77 12.281 -17.504 -24.866 1.00 52.04 ATOM 1213 C GLU 77 12.665 -20.718 -28.408 1.00 24.14 ATOM 1214 O GLU 77 13.249 -20.185 -29.350 1.00 10.14 ATOM 1215 N LYS 78 12.114 -21.931 -28.499 1.00 42.22 ATOM 1216 HN LYS 78 11.683 -22.313 -27.707 1.00 37.13 ATOM 1217 CA LYS 78 12.139 -22.712 -29.745 1.00 3.54 ATOM 1218 HA LYS 78 12.964 -22.353 -30.344 1.00 52.55 ATOM 1219 CB LYS 78 12.382 -24.199 -29.409 1.00 62.22 ATOM 1220 HB1 LYS 78 11.503 -24.586 -28.914 1.00 37.13 ATOM 1221 HB2 LYS 78 13.215 -24.262 -28.725 1.00 30.33 ATOM 1222 CG LYS 78 12.692 -25.105 -30.608 1.00 54.44 ATOM 1223 HG1 LYS 78 13.234 -25.974 -30.254 1.00 37.13 ATOM 1224 HG2 LYS 78 13.313 -24.560 -31.304 1.00 71.24 ATOM 1225 CD LYS 78 11.433 -25.573 -31.338 1.00 41.03 ATOM 1226 HD1 LYS 78 10.912 -24.708 -31.726 1.00 37.13 ATOM 1227 HD2 LYS 78 10.795 -26.093 -30.638 1.00 14.14 ATOM 1228 CE LYS 78 11.762 -26.511 -32.493 1.00 61.23 ATOM 1229 HE1 LYS 78 10.840 -26.826 -32.960 1.00 37.13 ATOM 1230 HE2 LYS 78 12.279 -27.376 -32.103 1.00 64.51 ATOM 1231 NZ LYS 78 12.624 -25.859 -33.514 1.00 74.34 ATOM 1232 HZ1 LYS 78 13.534 -25.583 -33.094 1.00 74.14 ATOM 1233 HZ2 LYS 78 12.159 -25.008 -33.889 1.00 21.14 ATOM 1234 HZ3 LYS 78 12.805 -26.513 -34.301 1.00 3.54 ATOM 1235 C LYS 78 10.834 -22.526 -30.548 1.00 21.01 ATOM 1236 O LYS 78 10.867 -22.182 -31.730 1.00 73.14 ATOM 1237 N LEU 79 9.689 -22.755 -29.904 1.00 61.30 ATOM 1238 HN LEU 79 9.720 -22.999 -28.956 1.00 37.13 ATOM 1239 CA LEU 79 8.383 -22.651 -30.580 1.00 63.41 ATOM 1240 HA LEU 79 8.521 -22.970 -31.605 1.00 64.21 ATOM 1241 CB LEU 79 7.361 -23.586 -29.915 1.00 4.13 ATOM 1242 HB1 LEU 79 6.395 -23.413 -30.371 1.00 37.13 ATOM 1243 HB2 LEU 79 7.294 -23.325 -28.866 1.00 20.31 ATOM 1244 CG LEU 79 7.679 -25.088 -30.023 1.00 72.23 ATOM 1245 HG LEU 79 8.612 -25.288 -29.513 1.00 65.11 ATOM 1246 CD1 LEU 79 6.593 -25.925 -29.350 1.00 71.22 ATOM 1247 HD11 LEU 79 5.650 -25.772 -29.858 1.00 61.03 ATOM 1248 HD12 LEU 79 6.496 -25.627 -28.316 1.00 12.03 ATOM 1249 HD13 LEU 79 6.860 -26.971 -29.398 1.00 15.22 ATOM 1250 CD2 LEU 79 7.845 -25.497 -31.485 1.00 40.22 ATOM 1251 HD21 LEU 79 8.055 -26.555 -31.543 1.00 74.14 ATOM 1252 HD22 LEU 79 8.663 -24.946 -31.924 1.00 12.22 ATOM 1253 HD23 LEU 79 6.935 -25.280 -32.027 1.00 3.52 ATOM 1254 C LEU 79 7.845 -21.208 -30.597 1.00 54.21 ATOM 1255 O LEU 79 7.042 -20.848 -31.461 1.00 4.24 ATOM 1256 N PHE 80 8.285 -20.390 -29.643 1.00 62.32 ATOM 1257 HN PHE 80 8.910 -20.738 -28.977 1.00 37.13 ATOM 1258 CA PHE 80 7.876 -18.977 -29.560 1.00 2.43 ATOM 1259 HA PHE 80 7.450 -18.689 -30.511 1.00 15.31 ATOM 1260 CB PHE 80 6.819 -18.784 -28.455 1.00 15.14 ATOM 1261 HB1 PHE 80 6.404 -17.788 -28.538 1.00 37.13 ATOM 1262 HB2 PHE 80 7.298 -18.882 -27.492 1.00 53.15 ATOM 1263 CG PHE 80 5.672 -19.770 -28.504 1.00 45.51 ATOM 1264 CD1 PHE 80 4.613 -19.587 -29.381 1.00 1.10 ATOM 1265 HD1 PHE 80 4.610 -18.731 -30.041 1.00 24.12 ATOM 1266 CD2 PHE 80 5.655 -20.878 -27.664 1.00 32.41 ATOM 1267 HD2 PHE 80 6.472 -21.034 -26.976 1.00 14.31 ATOM 1268 CE1 PHE 80 3.565 -20.490 -29.422 1.00 11.14 ATOM 1269 HE1 PHE 80 2.747 -20.336 -30.109 1.00 0.33 ATOM 1270 CE2 PHE 80 4.610 -21.781 -27.702 1.00 21.25 ATOM 1271 HE2 PHE 80 4.610 -22.638 -27.043 1.00 3.24 ATOM 1272 CZ PHE 80 3.562 -21.586 -28.582 1.00 40.04 ATOM 1273 HZ PHE 80 2.742 -22.291 -28.613 1.00 62.02 ATOM 1274 C PHE 80 9.094 -18.072 -29.266 1.00 62.01 ATOM 1275 O PHE 80 9.141 -17.398 -28.235 1.00 40.30 ATOM 1276 N PRO 81 10.100 -18.048 -30.165 1.00 25.25 ATOM 1277 CA PRO 81 11.353 -17.306 -29.933 1.00 35.44 ATOM 1278 HA PRO 81 11.831 -17.631 -29.018 1.00 52.11 ATOM 1279 CB PRO 81 12.238 -17.694 -31.136 1.00 34.15 ATOM 1280 HB1 PRO 81 13.234 -17.934 -30.790 1.00 37.13 ATOM 1281 HB2 PRO 81 12.290 -16.870 -31.836 1.00 63.55 ATOM 1282 CG PRO 81 11.576 -18.885 -31.749 1.00 23.00 ATOM 1283 HG1 PRO 81 11.953 -19.791 -31.294 1.00 37.13 ATOM 1284 HG2 PRO 81 11.756 -18.899 -32.815 1.00 35.02 ATOM 1285 CD PRO 81 10.110 -18.731 -31.467 1.00 44.24 ATOM 1286 HD1 PRO 81 9.632 -19.698 -31.402 1.00 37.13 ATOM 1287 HD2 PRO 81 9.636 -18.123 -32.227 1.00 31.32 ATOM 1288 C PRO 81 11.163 -15.782 -29.885 1.00 44.13 ATOM 1289 O PRO 81 11.812 -15.091 -29.093 1.00 21.45 ATOM 1290 N ASP 82 10.289 -15.264 -30.755 1.00 2.02 ATOM 1291 HN ASP 82 9.756 -15.876 -31.307 1.00 37.13 ATOM 1292 CA ASP 82 10.087 -13.814 -30.906 1.00 42.30 ATOM 1293 HA ASP 82 9.378 -13.673 -31.711 1.00 22.43 ATOM 1294 CB ASP 82 9.498 -13.209 -29.622 1.00 43.23 ATOM 1295 HB1 ASP 82 9.662 -12.140 -29.626 1.00 37.13 ATOM 1296 HB2 ASP 82 9.999 -13.638 -28.766 1.00 52.34 ATOM 1297 CG ASP 82 8.006 -13.463 -29.488 1.00 32.31 ATOM 1298 OD1 ASP 82 7.233 -12.883 -30.283 1.00 44.00 ATOM 1299 OD2 ASP 82 7.593 -14.210 -28.578 1.00 11.23 ATOM 1300 C ASP 82 11.393 -13.089 -31.293 1.00 1.30 ATOM 1301 O ASP 82 11.482 -11.860 -31.221 1.00 14.53 ATOM 1302 N THR 83 12.390 -13.855 -31.733 1.00 34.14 ATOM 1303 HN THR 83 12.238 -14.819 -31.825 1.00 37.13 ATOM 1304 CA THR 83 13.710 -13.311 -32.095 1.00 52.40 ATOM 1305 HA THR 83 13.658 -12.232 -32.038 1.00 42.24 ATOM 1306 CB THR 83 14.813 -13.802 -31.120 1.00 13.02 ATOM 1307 HB THR 83 15.771 -13.443 -31.474 1.00 74.54 ATOM 1308 OG1 THR 83 14.843 -15.238 -31.091 1.00 44.41 ATOM 1309 HG1 THR 83 14.648 -15.547 -30.200 1.00 4.32 ATOM 1310 CG2 THR 83 14.587 -13.265 -29.709 1.00 75.04 ATOM 1311 HG21 THR 83 15.364 -13.631 -29.055 1.00 41.41 ATOM 1312 HG22 THR 83 13.625 -13.597 -29.346 1.00 5.12 ATOM 1313 HG23 THR 83 14.612 -12.184 -29.726 1.00 12.15 ATOM 1314 C THR 83 14.111 -13.715 -33.521 1.00 24.31 ATOM 1315 O THR 83 13.653 -14.739 -34.039 1.00 55.14 ATOM 1316 N PRO 84 14.964 -12.912 -34.189 1.00 13.41 ATOM 1317 CA PRO 84 15.475 -13.253 -35.526 1.00 12.11 ATOM 1318 HA PRO 84 14.666 -13.511 -36.198 1.00 25.33 ATOM 1319 CB PRO 84 16.135 -11.950 -35.998 1.00 42.02 ATOM 1320 HB1 PRO 84 15.426 -11.367 -36.569 1.00 37.13 ATOM 1321 HB2 PRO 84 16.997 -12.177 -36.612 1.00 23.33 ATOM 1322 CG PRO 84 16.527 -11.248 -34.739 1.00 71.52 ATOM 1323 HG1 PRO 84 16.545 -10.180 -34.902 1.00 37.13 ATOM 1324 HG2 PRO 84 17.500 -11.593 -34.414 1.00 74.01 ATOM 1325 CD PRO 84 15.474 -11.605 -33.719 1.00 41.32 ATOM 1326 HD1 PRO 84 14.685 -10.865 -33.712 1.00 37.13 ATOM 1327 HD2 PRO 84 15.915 -11.694 -32.736 1.00 13.22 ATOM 1328 C PRO 84 16.491 -14.410 -35.494 1.00 34.24 ATOM 1329 O PRO 84 17.693 -14.200 -35.303 1.00 11.22 ATOM 1330 N LEU 85 15.996 -15.636 -35.642 1.00 74.33 ATOM 1331 HN LEU 85 15.027 -15.751 -35.702 1.00 37.13 ATOM 1332 CA LEU 85 16.862 -16.820 -35.702 1.00 74.42 ATOM 1333 HA LEU 85 17.752 -16.592 -35.130 1.00 30.14 ATOM 1334 CB LEU 85 16.168 -18.037 -35.052 1.00 53.13 ATOM 1335 HB1 LEU 85 16.260 -17.936 -33.979 1.00 37.13 ATOM 1336 HB2 LEU 85 16.706 -18.926 -35.350 1.00 72.53 ATOM 1337 CG LEU 85 14.673 -18.252 -35.384 1.00 14.15 ATOM 1338 HG LEU 85 14.134 -17.337 -35.181 1.00 60.21 ATOM 1339 CD1 LEU 85 14.463 -18.597 -36.856 1.00 61.21 ATOM 1340 HD11 LEU 85 14.829 -17.788 -37.472 1.00 63.12 ATOM 1341 HD12 LEU 85 13.411 -18.744 -37.047 1.00 41.32 ATOM 1342 HD13 LEU 85 15.002 -19.503 -37.095 1.00 65.41 ATOM 1343 CD2 LEU 85 14.083 -19.346 -34.495 1.00 61.13 ATOM 1344 HD21 LEU 85 14.174 -19.056 -33.458 1.00 54.22 ATOM 1345 HD22 LEU 85 14.617 -20.272 -34.656 1.00 21.11 ATOM 1346 HD23 LEU 85 13.039 -19.487 -34.738 1.00 71.21 ATOM 1347 C LEU 85 17.299 -17.132 -37.143 1.00 2.21 ATOM 1348 O LEU 85 16.597 -16.799 -38.099 1.00 62.51 ATOM 1349 N ALA 86 18.469 -17.757 -37.284 1.00 13.23 ATOM 1350 HN ALA 86 18.991 -17.966 -36.480 1.00 37.13 ATOM 1351 CA ALA 86 19.007 -18.144 -38.596 1.00 3.12 ATOM 1352 HA ALA 86 20.003 -18.535 -38.432 1.00 74.32 ATOM 1353 CB ALA 86 18.167 -19.262 -39.207 1.00 62.00 ATOM 1354 HB1 ALA 86 18.626 -19.596 -40.126 1.00 22.51 ATOM 1355 HB2 ALA 86 17.173 -18.895 -39.414 1.00 54.12 ATOM 1356 HB3 ALA 86 18.108 -20.089 -38.514 1.00 24.04 ATOM 1357 C ALA 86 19.110 -16.953 -39.567 1.00 23.14 ATOM 1358 O ALA 86 18.261 -16.771 -40.446 1.00 12.34 ATOM 1359 N LEU 87 20.148 -16.137 -39.400 1.00 53.31 ATOM 1360 HN LEU 87 20.776 -16.309 -38.666 1.00 37.13 ATOM 1361 CA LEU 87 20.373 -14.980 -40.279 1.00 62.11 ATOM 1362 HA LEU 87 19.409 -14.654 -40.649 1.00 41.13 ATOM 1363 CB LEU 87 21.014 -13.825 -39.491 1.00 24.02 ATOM 1364 HB1 LEU 87 21.214 -13.013 -40.178 1.00 37.13 ATOM 1365 HB2 LEU 87 21.957 -14.171 -39.090 1.00 33.11 ATOM 1366 CG LEU 87 20.168 -13.272 -38.328 1.00 72.22 ATOM 1367 HG LEU 87 20.016 -14.057 -37.601 1.00 3.34 ATOM 1368 CD1 LEU 87 20.891 -12.122 -37.626 1.00 24.01 ATOM 1369 HD11 LEU 87 21.091 -11.332 -38.335 1.00 14.25 ATOM 1370 HD12 LEU 87 21.824 -12.480 -37.214 1.00 33.54 ATOM 1371 HD13 LEU 87 20.271 -11.740 -36.826 1.00 72.14 ATOM 1372 CD2 LEU 87 18.794 -12.824 -38.828 1.00 3.00 ATOM 1373 HD21 LEU 87 18.913 -12.051 -39.574 1.00 43.21 ATOM 1374 HD22 LEU 87 18.217 -12.438 -38.000 1.00 11.53 ATOM 1375 HD23 LEU 87 18.277 -13.667 -39.263 1.00 72.14 ATOM 1376 C LEU 87 21.250 -15.351 -41.487 1.00 54.41 ATOM 1377 O LEU 87 21.386 -14.571 -42.431 1.00 52.20 ATOM 1378 N ASP 88 21.838 -16.546 -41.457 1.00 4.23 ATOM 1379 HN ASP 88 21.729 -17.109 -40.662 1.00 37.13 ATOM 1380 CA ASP 88 22.653 -17.041 -42.571 1.00 5.30 ATOM 1381 HA ASP 88 22.548 -16.346 -43.395 1.00 54.51 ATOM 1382 CB ASP 88 24.129 -17.096 -42.155 1.00 43.11 ATOM 1383 HB1 ASP 88 24.251 -17.833 -41.372 1.00 37.13 ATOM 1384 HB2 ASP 88 24.427 -16.127 -41.778 1.00 62.11 ATOM 1385 CG ASP 88 25.044 -17.458 -43.310 1.00 64.23 ATOM 1386 OD1 ASP 88 25.360 -16.564 -44.124 1.00 45.41 ATOM 1387 OD2 ASP 88 25.448 -18.634 -43.416 1.00 20.10 ATOM 1388 C ASP 88 22.168 -18.429 -43.035 1.00 21.01 ATOM 1389 O ASP 88 21.498 -19.146 -42.287 1.00 3.41 ATOM 1390 N ALA 89 22.514 -18.799 -44.268 1.00 3.44 ATOM 1391 HN ALA 89 23.078 -18.202 -44.801 1.00 37.13 ATOM 1392 CA ALA 89 22.082 -20.074 -44.852 1.00 65.42 ATOM 1393 HA ALA 89 21.007 -20.138 -44.746 1.00 62.54 ATOM 1394 CB ALA 89 22.405 -20.099 -46.342 1.00 35.34 ATOM 1395 HB1 ALA 89 23.473 -20.025 -46.482 1.00 21.35 ATOM 1396 HB2 ALA 89 21.920 -19.266 -46.830 1.00 15.31 ATOM 1397 HB3 ALA 89 22.049 -21.024 -46.774 1.00 35.24 ATOM 1398 C ALA 89 22.723 -21.286 -44.149 1.00 0.34 ATOM 1399 O ALA 89 23.935 -21.498 -44.228 1.00 33.45 ATOM 1400 N ASN 90 21.898 -22.077 -43.470 1.00 61.23 ATOM 1401 HN ASN 90 20.948 -21.839 -43.428 1.00 37.13 ATOM 1402 CA ASN 90 22.358 -23.290 -42.782 1.00 63.44 ATOM 1403 HA ASN 90 23.108 -23.761 -43.402 1.00 15.02 ATOM 1404 CB ASN 90 22.981 -22.929 -41.426 1.00 72.15 ATOM 1405 HB1 ASN 90 22.229 -22.456 -40.809 1.00 37.13 ATOM 1406 HB2 ASN 90 23.792 -22.236 -41.584 1.00 60.31 ATOM 1407 CG ASN 90 23.532 -24.133 -40.679 1.00 41.21 ATOM 1408 OD1 ASN 90 23.943 -25.121 -41.280 1.00 50.21 ATOM 1409 ND2 ASN 90 23.547 -24.059 -39.364 1.00 64.51 ATOM 1410 HD21 ASN 90 23.206 -23.242 -38.941 1.00 63.15 ATOM 1411 HD22 ASN 90 23.905 -24.822 -38.866 1.00 41.53 ATOM 1412 C ASN 90 21.193 -24.268 -42.586 1.00 70.24 ATOM 1413 O ASN 90 20.062 -23.846 -42.336 1.00 34.13 ATOM 1414 N LYS 91 21.481 -25.568 -42.706 1.00 52.22 ATOM 1415 HN LYS 91 22.411 -25.826 -42.890 1.00 37.13 ATOM 1416 HA LYS 91 20.996 -27.572 -42.601 1.00 41.33 ATOM 1417 CB LYS 91 19.735 -26.535 -41.216 1.00 4.23 ATOM 1418 HB1 LYS 91 18.913 -27.239 -41.211 1.00 37.13 ATOM 1419 HB2 LYS 91 19.340 -25.536 -41.100 1.00 11.03 ATOM 1420 CG LYS 91 20.628 -26.836 -40.017 1.00 63.13 ATOM 1421 HG1 LYS 91 20.052 -26.715 -39.109 1.00 37.13 ATOM 1422 HG2 LYS 91 21.456 -26.142 -40.014 1.00 50.15 ATOM 1423 CD LYS 91 21.175 -28.259 -40.075 1.00 41.44 ATOM 1424 HD1 LYS 91 21.727 -28.384 -40.997 1.00 37.13 ATOM 1425 HD2 LYS 91 20.347 -28.955 -40.056 1.00 73.45 ATOM 1426 CE LYS 91 22.099 -28.563 -38.904 1.00 10.43 ATOM 1427 HE1 LYS 91 21.549 -28.442 -37.982 1.00 37.13 ATOM 1428 HE2 LYS 91 22.925 -27.867 -38.924 1.00 62.25 ATOM 1429 NZ LYS 91 22.633 -29.947 -38.972 1.00 43.13 ATOM 1430 HZ1 LYS 91 23.223 -30.060 -39.821 1.00 62.34 ATOM 1431 HZ2 LYS 91 21.849 -30.628 -39.020 1.00 54.41 ATOM 1432 HZ3 LYS 91 23.207 -30.153 -38.131 1.00 54.44 ATOM 1433 CA LYS 91 20.463 -26.630 -42.571 1.00 4.23 ATOM 1434 C LYS 91 19.445 -26.625 -43.734 1.00 41.15 ATOM 1435 OT1 LYS 91 19.429 -27.599 -44.518 1.00 37.13 ATOM 1436 OT2 LYS 91 18.673 -25.649 -43.867 1.00 37.13 ATOM 1437 OH2 TIP3 1 -4.122 -33.072 -22.405 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 -3.713 -32.593 -21.659 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 -3.417 -33.669 -22.720 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -4.845 -30.930 -23.921 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -4.400 -31.164 -24.766 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 -4.704 -31.719 -23.354 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 -5.293 -35.191 -19.751 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 -5.889 -34.889 -20.447 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 -5.056 -34.367 -19.263 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -1.513 -31.378 -30.533 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 -0.769 -30.759 -30.528 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 -1.509 -31.763 -29.635 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -1.250 -32.485 -27.947 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -1.332 -32.141 -27.044 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -0.288 -32.694 -28.040 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -3.062 -34.634 -25.934 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -3.239 -35.316 -26.596 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -2.269 -34.961 -25.462 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -3.139 -32.319 -16.112 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -2.207 -32.367 -16.381 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -3.102 -32.308 -15.131 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -5.410 -28.966 -30.947 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -4.975 -29.281 -31.769 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -5.705 -28.057 -31.167 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 -7.334 -28.738 -28.939 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 -6.981 -29.012 -28.077 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 -6.651 -29.019 -29.582 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -4.282 -32.998 -18.488 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -3.900 -32.314 -19.077 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -4.096 -32.663 -17.577 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -2.723 -31.687 -20.424 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -1.999 -32.353 -20.444 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -2.256 -30.831 -20.357 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -1.490 -28.790 -17.611 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -1.262 -28.104 -16.945 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 -2.245 -28.397 -18.104 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -4.203 -38.627 -21.890 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -4.225 -38.557 -22.875 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -4.133 -39.570 -21.723 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 2.383 -40.715 -16.649 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 3.183 -41.093 -17.078 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 1.846 -41.481 -16.437 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -1.813 -37.516 -16.499 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -2.630 -37.394 -17.032 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -2.081 -38.100 -15.786 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -8.014 -22.691 -28.628 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -8.987 -22.637 -28.535 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -7.675 -22.340 -27.782 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -10.770 -22.684 -28.028 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -11.125 -22.535 -28.941 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -11.424 -22.271 -27.453 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 -4.257 -21.545 -30.772 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -3.972 -22.437 -30.466 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 -3.729 -21.395 -31.583 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -9.401 -24.592 -26.642 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -9.149 -25.246 -27.326 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -10.003 -23.977 -27.111 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -6.082 -26.258 -31.045 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -7.028 -26.009 -31.032 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -5.686 -25.657 -31.717 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 -6.136 -20.149 -25.856 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 -6.199 -19.589 -25.053 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 -6.841 -20.818 -25.741 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 -4.043 -27.229 -29.357 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 -4.348 -28.089 -29.712 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 -4.606 -26.574 -29.816 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -4.243 -20.703 -22.667 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -4.792 -20.010 -23.098 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -3.349 -20.565 -23.034 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -6.930 -21.968 -31.058 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -5.987 -21.726 -30.923 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 -7.266 -22.136 -30.148 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -5.019 -23.221 -21.946 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -5.798 -23.337 -22.533 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -4.716 -22.300 -22.129 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -3.144 -25.109 -20.957 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -3.802 -24.531 -21.392 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -2.365 -24.526 -20.827 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -7.134 -28.034 -26.115 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -8.099 -27.884 -26.125 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -6.965 -28.424 -25.225 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -6.437 -24.265 -35.825 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -5.590 -24.514 -36.260 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -6.183 -23.573 -35.186 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -9.358 -22.873 -31.862 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -9.148 -23.396 -32.664 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -8.509 -22.434 -31.634 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -8.834 -25.721 -24.216 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 -9.032 -26.655 -24.374 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -9.143 -25.273 -25.032 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 -8.818 -26.521 -28.588 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 -8.386 -27.401 -28.732 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 -8.971 -26.181 -29.499 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 -7.329 -14.074 -19.550 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 -6.547 -13.825 -19.022 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 -7.029 -14.843 -20.068 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -11.625 -22.160 -30.527 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -12.217 -21.737 -31.154 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -10.833 -22.395 -31.064 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -6.308 -22.387 -33.707 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -6.569 -22.133 -32.795 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -6.896 -21.842 -34.284 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -4.879 -24.472 -32.734 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -4.089 -24.542 -33.306 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -5.364 -23.695 -33.090 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -7.838 -22.442 -25.755 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -8.396 -23.186 -26.061 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -7.563 -22.709 -24.855 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -7.468 -23.579 -23.225 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -8.043 -23.340 -22.488 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -7.842 -24.435 -23.553 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -9.826 -27.648 -26.197 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -9.701 -27.193 -27.052 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -10.575 -28.233 -26.347 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 -8.595 -24.705 -33.796 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 -9.095 -24.447 -34.594 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -7.690 -24.837 -34.120 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 -8.621 -18.917 -21.020 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -9.366 -19.081 -21.601 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 -8.905 -18.143 -20.476 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 -6.797 -19.920 -19.261 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 -7.541 -19.744 -19.880 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 -6.004 -19.604 -19.749 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 -6.879 -29.187 -23.657 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 -6.115 -29.805 -23.774 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 -7.303 -29.489 -22.851 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 -3.556 -16.997 -24.065 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -3.016 -17.524 -24.684 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 -2.925 -16.352 -23.694 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 -3.643 -15.398 -19.300 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 -3.276 -16.271 -19.005 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 -4.431 -15.641 -19.829 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 -8.147 -21.261 -35.324 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 -8.589 -22.051 -35.695 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 -8.641 -20.520 -35.685 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 -2.541 -21.781 -32.988 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 -2.444 -22.730 -33.208 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 -2.524 -21.338 -33.843 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 -5.384 -21.381 -28.314 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 -5.733 -20.555 -27.938 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 -4.974 -21.110 -29.162 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 -5.732 -18.578 -23.585 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 -5.034 -17.906 -23.775 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 -6.238 -18.194 -22.856 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -9.042 -23.690 -36.344 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -9.373 -24.057 -37.172 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -8.089 -23.952 -36.327 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -3.435 -20.452 -26.450 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -4.402 -20.366 -26.290 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -3.374 -21.038 -27.224 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -2.850 -23.044 -25.350 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -3.262 -22.245 -24.990 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -2.099 -22.710 -25.867 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -0.928 -24.301 -31.375 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -0.099 -24.829 -31.325 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -1.233 -24.425 -32.292 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 -1.110 -29.410 -20.296 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 -0.880 -28.468 -20.485 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 -1.174 -29.440 -19.320 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 -3.947 -24.718 -37.000 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 -3.021 -24.847 -36.705 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 -3.876 -24.589 -37.950 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 -3.566 -31.972 -26.103 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 -3.460 -31.914 -27.057 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 -3.480 -32.936 -25.910 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -8.736 -25.459 -31.097 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -9.073 -24.553 -30.962 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -8.786 -25.584 -32.066 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 -0.192 -27.752 -32.756 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 0.279 -27.119 -32.177 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 0.525 -28.242 -33.202 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -3.567 -24.146 -30.375 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -2.620 -24.294 -30.586 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -4.038 -24.402 -31.195 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 -2.772 -27.044 -33.048 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 -3.295 -27.867 -33.064 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 -1.842 -27.355 -32.924 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 -11.143 -14.891 -18.751 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 -11.251 -14.703 -19.693 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 -12.044 -14.978 -18.419 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 -18.715 -18.499 -8.864 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -19.331 -18.034 -8.286 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -19.018 -19.440 -8.832 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -2.073 -29.010 -9.699 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -2.120 -28.253 -10.307 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -2.413 -28.660 -8.862 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 -8.176 -27.622 -7.702 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 -9.017 -28.076 -7.609 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 -8.346 -26.725 -7.336 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -6.280 -25.322 -9.485 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 -6.199 -26.274 -9.667 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -6.628 -24.944 -10.321 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 -12.091 -22.881 -11.140 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 -12.677 -23.403 -11.719 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 -12.682 -22.212 -10.755 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -2.195 -26.365 -10.780 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -1.988 -26.446 -11.743 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -1.314 -26.284 -10.355 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -13.368 -20.270 -3.498 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -13.898 -19.543 -3.870 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -13.457 -20.995 -4.155 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -16.024 -18.553 -8.344 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -15.615 -18.173 -9.153 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -16.991 -18.520 -8.525 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -6.987 -23.907 -11.711 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -7.944 -23.804 -11.918 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -6.539 -23.762 -12.573 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -4.115 -21.369 -11.602 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -3.798 -22.292 -11.651 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -4.845 -21.405 -10.955 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -8.904 -25.156 -6.766 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -9.402 -24.857 -7.559 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -8.969 -24.398 -6.147 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -14.535 -23.355 -12.350 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -14.724 -22.542 -11.838 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -14.900 -23.168 -13.241 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -14.698 -17.673 -10.578 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -15.327 -17.526 -11.322 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -13.834 -17.807 -11.020 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -14.471 -21.175 -10.574 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -14.677 -20.253 -10.774 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -14.778 -21.294 -9.651 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -14.830 -16.994 -6.407 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -14.766 -16.215 -6.977 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -15.261 -17.669 -6.974 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -5.466 -23.289 -13.935 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -5.822 -22.411 -14.168 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -4.882 -23.511 -14.682 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -10.628 -17.014 -5.437 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -11.105 -17.413 -4.681 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -10.546 -17.750 -6.082 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -13.182 -13.829 -11.160 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -13.578 -14.186 -10.344 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -13.391 -12.861 -11.128 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -9.252 -13.134 -17.886 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -10.018 -13.727 -17.997 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -8.612 -13.441 -18.569 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -10.747 -13.953 -12.319 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -11.674 -13.900 -11.981 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -10.769 -13.462 -13.146 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -1.762 -23.498 -1.141 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -2.454 -23.110 -0.565 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -2.259 -23.878 -1.889 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -3.552 -25.084 -6.188 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -3.295 -25.741 -6.876 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -4.530 -25.019 -6.280 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -5.724 -21.937 -17.748 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -5.813 -22.753 -18.297 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -6.138 -21.234 -18.298 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -16.158 -23.824 -8.397 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -15.597 -24.375 -8.994 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -15.668 -22.990 -8.316 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -14.537 -25.056 -10.196 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -14.056 -25.868 -10.456 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -14.594 -24.536 -11.024 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -14.826 -29.018 -12.583 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -14.972 -28.777 -13.503 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -15.411 -29.769 -12.438 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -12.305 -23.723 -2.872 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -11.957 -24.490 -2.410 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -12.380 -23.033 -2.173 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -6.137 -22.062 -9.743 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -6.946 -21.995 -9.192 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -6.351 -22.768 -10.391 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -10.403 -25.835 -11.066 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -10.148 -25.172 -11.735 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -11.240 -26.196 -11.392 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -7.975 -10.132 0.797 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -8.009 -10.330 -0.153 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -7.216 -10.631 1.116 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -10.209 -24.118 -8.953 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -10.083 -24.823 -9.631 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -11.040 -23.690 -9.215 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -12.699 -20.865 -7.097 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -13.585 -20.893 -7.504 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -12.760 -21.501 -6.354 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -9.618 -23.381 -12.370 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -9.396 -22.623 -12.956 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -10.442 -23.103 -11.918 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -8.467 -22.032 -8.287 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -9.057 -22.713 -8.678 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -8.468 -22.242 -7.330 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -12.618 -21.572 -1.239 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -12.761 -20.980 -0.496 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -12.919 -21.057 -2.020 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -19.734 -20.986 -8.508 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -19.290 -21.835 -8.297 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -20.648 -21.233 -8.671 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -6.432 -20.906 -15.330 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -6.077 -20.012 -15.435 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -6.251 -21.339 -16.197 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -15.357 -21.135 -7.913 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -15.570 -20.178 -8.025 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -15.970 -21.430 -7.197 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -7.962 -13.673 -7.795 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -8.223 -13.082 -7.063 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -7.042 -13.416 -7.995 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -0.829 -26.667 -16.007 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 0.071 -26.323 -16.175 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -1.418 -26.042 -16.488 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -2.546 -18.266 -14.866 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -1.970 -18.179 -15.669 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -2.502 -19.221 -14.643 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -16.391 -17.243 -12.700 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -16.083 -16.300 -12.702 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -16.678 -17.398 -13.605 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -15.423 -22.724 -14.874 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -15.589 -21.920 -15.374 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -15.531 -23.432 -15.518 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -11.758 -15.672 -7.572 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -11.446 -14.745 -7.569 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -11.438 -16.037 -6.722 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -15.540 -14.745 -12.362 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -14.647 -14.365 -12.289 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -16.017 -14.381 -11.591 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -5.998 -16.449 -20.277 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -6.478 -16.714 -19.462 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -5.589 -17.282 -20.592 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -6.320 -15.169 -4.766 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -7.137 -15.466 -5.183 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -6.616 -14.521 -4.097 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -0.762 -15.402 -16.236 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -1.087 -16.275 -16.544 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -0.099 -15.154 -16.897 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -7.039 -17.509 -17.979 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -6.326 -17.462 -17.307 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -7.056 -18.455 -18.240 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -5.789 -28.006 -8.890 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -5.853 -28.934 -9.132 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -6.623 -27.830 -8.386 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -7.131 -12.352 -16.448 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -6.541 -13.021 -16.858 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -8.028 -12.596 -16.774 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -13.220 -27.338 -11.072 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -12.860 -27.971 -10.444 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -13.790 -27.881 -11.661 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -13.368 -22.575 -5.061 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -12.892 -23.020 -4.316 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -14.011 -23.232 -5.355 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -3.366 -26.801 -8.307 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -4.265 -27.176 -8.448 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -3.079 -26.530 -9.202 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -8.859 -21.280 -14.018 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -7.975 -21.162 -14.428 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -9.471 -20.954 -14.684 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -8.298 -19.278 -8.564 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -8.237 -20.255 -8.625 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -9.070 -19.128 -7.974 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -9.328 -16.939 -19.319 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -9.836 -16.192 -18.955 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -8.558 -17.022 -18.716 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -14.129 -17.424 -3.834 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -14.301 -17.254 -4.794 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -14.848 -16.970 -3.383 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -10.482 -19.290 -6.936 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -10.155 -19.694 -6.098 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -11.310 -19.792 -7.135 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 -18.764 -23.505 -7.856 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 -19.222 -24.331 -8.049 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 -17.829 -23.676 -8.141 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -11.601 -18.212 -3.144 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -12.403 -17.652 -3.223 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -11.953 -19.125 -3.168 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -4.684 -18.834 -20.552 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -3.964 -18.565 -19.929 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -4.269 -19.505 -21.124 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -17.296 -21.819 -6.142 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -17.830 -21.638 -5.364 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -17.814 -22.483 -6.639 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -8.800 -22.682 -5.606 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -9.557 -22.139 -5.330 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -8.061 -22.354 -5.053 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -7.102 -18.696 -2.920 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -7.816 -18.049 -3.096 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -6.684 -18.368 -2.092 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -4.762 -17.879 -16.503 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -4.233 -17.848 -17.339 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -4.111 -18.137 -15.825 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 1.247 -19.360 -9.058 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 0.486 -19.016 -9.582 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 1.929 -19.542 -9.725 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -2.317 -24.918 -17.468 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -2.046 -24.416 -18.251 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -2.873 -24.283 -16.958 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -3.681 -22.913 -16.183 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -3.340 -22.174 -15.641 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -4.364 -22.496 -16.755 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -1.187 -22.970 -12.966 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -2.006 -23.419 -12.655 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -0.490 -23.636 -12.838 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -4.327 -22.189 -4.559 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -4.528 -22.374 -5.503 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -3.859 -22.992 -4.248 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -2.614 -24.295 -3.739 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -2.985 -24.755 -4.524 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -1.689 -24.623 -3.686 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -5.902 -24.028 -19.481 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -6.110 -24.957 -19.619 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -5.568 -23.724 -20.353 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -6.155 -24.746 -6.884 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -7.079 -24.905 -6.611 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -6.147 -24.987 -7.845 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -4.764 -22.462 -7.303 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -5.044 -22.151 -8.190 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -5.312 -23.266 -7.153 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -0.476 -27.688 -5.076 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -0.305 -26.838 -4.618 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -1.390 -27.898 -4.852 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -3.194 -27.075 -18.967 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -3.433 -26.577 -19.772 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -3.068 -26.383 -18.292 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -16.356 -14.160 -9.738 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -15.598 -14.632 -9.333 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -17.024 -14.868 -9.890 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -7.705 -13.091 -3.237 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -7.804 -12.312 -2.659 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -8.189 -12.843 -4.053 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -8.925 -12.096 -5.547 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -8.942 -11.155 -5.812 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 -9.877 -12.356 -5.542 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -11.076 -13.198 -8.487 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -11.949 -12.762 -8.374 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -10.429 -12.486 -8.293 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -17.759 -16.419 -10.420 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -17.428 -16.798 -11.255 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -18.211 -17.165 -9.980 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -14.094 -15.486 -8.957 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -14.202 -16.323 -9.454 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -13.268 -15.619 -8.435 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -3.984 -15.782 -14.637 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -4.605 -15.958 -15.362 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -3.443 -16.595 -14.587 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -10.046 -8.374 1.139 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -9.268 -8.975 1.175 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -10.000 -7.878 1.961 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -9.558 -20.147 -4.536 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -8.661 -20.460 -4.292 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -9.867 -19.676 -3.750 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -6.035 -17.428 -0.787 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -5.226 -17.067 -0.358 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -6.615 -16.643 -0.898 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -9.172 -16.881 -3.084 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -9.452 -16.600 -3.976 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -9.957 -17.351 -2.731 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -3.546 -16.788 0.050 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -3.264 -15.853 0.166 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -3.372 -17.203 0.925 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -7.576 -15.273 -1.456 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -8.235 -15.821 -1.933 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -7.569 -14.430 -1.952 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -7.022 -21.183 -4.061 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -6.912 -20.330 -3.579 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -6.130 -21.574 -4.061 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -3.171 -21.135 2.719 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 -3.091 -21.844 3.362 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -3.327 -21.597 1.871 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -4.671 -19.720 0.067 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -5.339 -19.063 -0.207 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -4.169 -19.267 0.775 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 -3.931 -22.330 0.248 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 -4.205 -21.400 0.057 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 -4.751 -22.834 0.190 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 -6.448 -14.918 1.284 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -7.176 -14.578 1.847 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 -6.848 -14.999 0.404 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -3.350 -11.694 -17.503 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -3.506 -10.872 -18.018 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -2.654 -12.166 -18.008 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -4.186 -12.251 -6.805 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 -4.208 -11.277 -6.805 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -4.634 -12.504 -7.644 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -11.315 -9.844 -13.382 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -11.166 -10.091 -14.300 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -10.424 -9.879 -12.975 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -8.935 -9.455 -6.400 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -9.656 -8.792 -6.435 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -9.016 -9.941 -7.253 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 -9.417 -11.015 -8.582 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 -10.210 -10.527 -8.902 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 -8.979 -11.331 -9.406 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -5.404 -13.320 -8.982 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -5.429 -12.720 -9.764 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -5.604 -14.199 -9.358 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -15.708 -11.576 -9.055 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -16.472 -11.029 -9.345 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -16.004 -12.501 -9.213 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -5.181 -13.697 -17.812 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -4.541 -12.966 -17.665 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -4.636 -14.414 -18.198 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -11.677 -12.317 -5.653 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -12.308 -12.338 -4.928 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -12.225 -12.095 -6.440 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -11.678 -9.592 -8.995 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -11.593 -8.870 -8.338 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -12.051 -9.153 -9.792 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -12.119 -5.302 -6.517 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -11.531 -4.573 -6.285 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -12.993 -4.896 -6.567 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 -12.730 -8.693 -11.387 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -13.184 -7.949 -11.797 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -12.263 -9.134 -12.140 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -11.309 -7.928 -6.728 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -11.860 -8.227 -5.996 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -11.485 -6.960 -6.780 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -13.193 -11.610 -7.860 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -12.791 -10.842 -8.320 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -14.128 -11.613 -8.170 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 -8.913 -9.645 -12.102 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 -8.036 -9.336 -12.440 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 -9.172 -8.963 -11.472 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -6.633 -10.014 -4.919 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -6.813 -10.965 -4.918 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -7.371 -9.631 -5.442 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 -4.806 -11.528 -15.192 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 -5.684 -11.699 -15.600 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 -4.180 -11.559 -15.951 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 -3.193 -11.917 -1.616 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 -2.659 -11.530 -0.908 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 -3.991 -11.338 -1.660 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -13.830 -11.237 -11.029 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -14.567 -11.180 -10.388 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 -13.501 -10.322 -11.098 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -6.483 -8.641 -12.633 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -5.856 -9.334 -12.377 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 -5.968 -8.067 -13.229 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -17.687 -10.248 -10.377 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -18.430 -9.644 -10.291 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -17.784 -10.621 -11.260 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -8.391 -12.073 -10.876 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -7.417 -12.147 -11.001 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -8.650 -11.333 -11.466 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -6.789 -10.097 -18.025 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -7.607 -10.095 -18.529 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 -6.911 -10.817 -17.372 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 -10.471 -9.123 -1.437 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -11.384 -8.888 -1.624 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 -10.323 -8.797 -0.517 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -8.635 -14.015 2.707 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -9.109 -14.678 3.218 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -9.190 -13.231 2.759 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -8.137 -10.365 -2.129 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -7.944 -9.911 -2.964 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -9.015 -9.997 -1.855 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -5.316 -10.223 -1.961 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -5.261 -9.784 -2.819 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -6.271 -10.308 -1.799 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -0.093 -31.328 -39.489 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 0.379 -30.985 -40.253 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 0.513 -31.157 -38.734 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 3.256 -37.010 -28.386 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 3.784 -36.684 -27.613 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 3.911 -37.504 -28.929 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 0.384 -41.299 -29.095 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 0.024 -41.827 -29.816 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 1.326 -41.163 -29.344 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -0.678 -35.674 -24.989 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 0.152 -35.212 -25.234 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -0.917 -35.292 -24.114 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 5.630 -42.425 -25.257 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 5.003 -42.329 -25.995 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 5.066 -42.362 -24.455 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 2.960 -40.865 -30.033 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 2.819 -39.996 -30.484 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 3.579 -41.328 -30.609 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 7.307 -33.089 -33.408 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 6.997 -33.986 -33.169 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 6.618 -32.506 -33.069 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 3.272 -38.253 -24.215 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 4.193 -38.581 -24.186 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 3.369 -37.279 -24.403 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 10.674 -36.343 -32.072 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 11.378 -36.848 -32.494 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 9.981 -36.266 -32.769 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 7.063 -38.039 -31.650 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 7.834 -37.773 -31.096 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 7.440 -38.628 -32.313 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 12.752 -39.975 -29.399 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 11.957 -39.462 -29.167 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 13.494 -39.376 -29.187 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 10.725 -38.404 -28.286 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 11.393 -37.854 -27.818 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 10.490 -39.106 -27.627 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 8.059 -39.885 -22.797 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 8.923 -39.418 -22.865 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 8.069 -40.274 -21.898 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 -0.702 -36.885 -29.234 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 -0.666 -37.615 -28.580 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 -1.394 -36.278 -28.880 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 3.879 -41.048 -27.396 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 3.541 -41.115 -28.310 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 3.247 -40.440 -26.954 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -1.424 -37.899 -19.743 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -1.855 -37.225 -20.309 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -0.812 -37.384 -19.180 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -2.113 -37.680 -26.065 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -1.498 -38.237 -26.583 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -1.529 -37.010 -25.640 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -2.439 -34.857 -28.757 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -3.000 -34.426 -29.408 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -1.987 -34.116 -28.302 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -0.151 -34.172 -33.683 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -1.087 -34.330 -33.452 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -0.193 -33.524 -34.413 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 12.525 -31.612 -35.137 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 11.996 -32.389 -34.868 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 11.912 -31.090 -35.701 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 7.232 -43.403 -22.874 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 8.201 -43.541 -22.917 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 6.958 -43.337 -23.802 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 -1.755 -34.635 -22.725 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 -1.294 -34.185 -21.984 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 -2.266 -35.351 -22.285 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 5.337 -38.236 -29.581 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 5.827 -38.216 -30.430 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 5.670 -39.039 -29.129 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 8.327 -40.998 -20.236 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 8.554 -40.274 -19.595 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 9.190 -41.263 -20.607 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 6.343 -39.932 -27.730 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 6.920 -40.238 -26.998 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 5.488 -40.395 -27.567 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 5.403 -39.502 -23.196 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 6.376 -39.543 -23.071 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 5.117 -40.441 -23.160 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 2.816 -38.670 -31.691 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 3.352 -37.879 -31.504 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 2.226 -38.389 -32.405 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 3.578 -35.901 -32.026 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 2.889 -36.089 -32.699 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 3.118 -35.360 -31.366 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 11.268 -41.808 -24.426 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 11.362 -41.353 -23.571 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 10.791 -42.630 -24.204 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 -0.298 -39.090 -27.586 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 0.599 -38.993 -27.185 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 -0.193 -39.825 -28.224 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 6.265 -35.610 -32.689 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 6.450 -36.437 -32.197 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 5.288 -35.517 -32.630 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 -4.233 -38.530 -24.593 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 -3.427 -38.197 -25.052 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 -4.868 -38.659 -25.300 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 4.484 -41.847 -17.991 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 4.742 -41.101 -18.575 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 5.312 -42.355 -17.882 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 10.986 -33.484 -33.708 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 11.604 -33.936 -33.118 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 10.163 -33.993 -33.623 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 1.692 -33.423 -31.823 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 1.538 -34.019 -31.068 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 1.014 -33.686 -32.479 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 -1.175 -36.530 -31.901 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 -0.352 -36.795 -32.345 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 -1.021 -36.750 -30.957 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 14.097 -29.304 -36.218 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 13.898 -28.926 -37.098 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 13.631 -30.159 -36.211 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 9.067 -37.253 -30.028 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 9.655 -36.787 -30.666 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 9.692 -37.750 -29.448 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 1.595 -34.260 -25.560 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 2.341 -34.799 -25.192 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 1.482 -33.529 -24.912 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 1.353 -36.489 -33.560 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 0.861 -35.638 -33.572 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 1.466 -36.709 -34.514 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 3.032 -31.234 -32.913 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 2.445 -31.997 -32.729 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 3.731 -31.312 -32.236 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 5.684 -42.837 -20.746 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 6.329 -43.138 -21.431 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 6.074 -43.132 -19.903 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 1.495 -36.561 -36.312 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 1.393 -37.001 -37.159 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 1.486 -35.602 -36.536 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 7.618 -40.608 -25.416 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 7.762 -40.332 -24.484 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 6.959 -41.338 -25.348 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -2.816 -34.635 -32.886 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -2.290 -35.330 -32.415 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -3.600 -35.102 -33.192 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 8.713 -36.028 -33.888 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 7.834 -35.839 -33.488 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 8.537 -36.068 -34.834 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 -3.862 -37.028 -18.239 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 -3.563 -37.632 -18.939 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 -4.576 -36.505 -18.662 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 -3.148 -36.295 -21.129 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 -3.903 -35.856 -20.687 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 -3.530 -37.139 -21.477 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 -0.209 -41.794 -26.395 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 -0.542 -40.904 -26.211 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 0.062 -41.758 -27.332 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 2.241 -38.924 -26.657 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 2.566 -38.170 -27.195 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 2.440 -38.660 -25.729 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 11.593 -45.149 -17.175 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 11.248 -45.072 -16.260 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 11.537 -46.089 -17.371 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 11.889 -40.555 -19.154 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 11.992 -41.274 -18.505 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 11.115 -40.032 -18.820 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 0.396 -43.489 -24.340 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 -0.243 -44.164 -24.581 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 0.300 -42.807 -25.044 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 4.277 -41.978 -22.894 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 4.755 -42.302 -22.095 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 3.371 -42.334 -22.785 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 1.319 -33.895 -36.921 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 1.801 -33.126 -37.250 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 0.510 -33.518 -36.533 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 -4.046 -29.545 -33.316 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 -4.394 -29.647 -34.209 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 -3.454 -30.322 -33.198 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 -2.478 -31.835 -33.106 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 -2.081 -31.630 -32.227 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 -2.688 -32.790 -33.053 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 12.759 -37.047 -27.092 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 13.470 -37.527 -27.570 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 12.982 -36.103 -27.221 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 10.126 -40.112 -26.318 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 10.662 -40.700 -25.750 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 9.202 -40.309 -26.056 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 12.930 -38.023 -24.432 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 12.710 -37.582 -25.278 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 12.864 -37.293 -23.755 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 10.648 -39.022 -23.005 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 10.706 -38.136 -22.536 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 11.275 -38.931 -23.743 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 13.142 -42.319 -28.053 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 13.037 -41.521 -28.617 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 12.559 -42.969 -28.452 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 9.980 -43.640 -22.703 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 10.246 -42.841 -22.192 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 10.432 -44.366 -22.259 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 0.523 -39.361 -21.022 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 0.761 -40.072 -20.408 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 -0.269 -38.945 -20.616 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 1.313 -33.343 -28.082 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 1.478 -34.070 -28.715 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 1.398 -33.769 -27.197 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 1.573 -35.457 -29.847 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 2.210 -36.034 -29.362 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 0.710 -35.917 -29.736 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 -0.725 -32.315 -35.714 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 -1.323 -31.909 -35.063 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 -1.285 -32.419 -36.525 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 9.251 -31.546 -34.877 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 9.895 -32.132 -34.446 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 8.393 -31.838 -34.521 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 13.410 -31.162 -32.624 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 12.600 -31.362 -32.142 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 13.189 -31.365 -33.563 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 -2.011 -32.673 -38.101 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 -2.451 -33.246 -38.734 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 -1.388 -32.141 -38.650 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 7.193 -40.280 -15.919 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 6.988 -39.832 -16.767 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 7.983 -40.826 -16.127 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 8.994 -37.738 -12.673 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 9.378 -38.501 -12.213 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 8.175 -38.094 -13.087 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 8.727 -35.162 -11.598 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 8.675 -36.105 -11.872 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 9.639 -34.912 -11.795 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 16.513 -40.849 -4.666 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 15.906 -41.616 -4.607 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 15.925 -40.091 -4.859 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 8.373 -41.937 -9.106 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 8.618 -41.745 -10.040 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 7.801 -42.704 -9.169 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 14.552 -38.903 -4.990 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 14.869 -38.283 -4.295 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 14.900 -38.510 -5.833 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 0.375 -36.782 -17.935 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 -0.393 -36.977 -17.345 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 1.110 -37.310 -17.552 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 7.162 -42.616 -18.341 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 7.517 -42.051 -19.060 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 7.853 -42.582 -17.653 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 13.292 -41.302 -5.730 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 13.237 -41.226 -6.707 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 13.663 -40.442 -5.445 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 1.300 -33.720 -13.588 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 0.452 -33.705 -14.053 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 1.765 -34.502 -13.965 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 6.585 -33.338 -11.484 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 5.843 -33.832 -11.854 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 7.341 -33.958 -11.547 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 9.410 -34.948 -8.874 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 9.007 -35.010 -9.757 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 8.649 -35.020 -8.256 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 5.153 -37.871 -17.018 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 5.895 -38.113 -17.617 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 5.586 -37.549 -16.221 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 5.814 -34.807 -4.838 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 5.795 -33.870 -4.575 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 5.568 -35.283 -4.028 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 -0.562 -32.980 -17.007 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 0.301 -33.441 -17.065 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 -1.197 -33.620 -17.400 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 10.119 -39.277 -4.943 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 9.846 -39.387 -5.876 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 10.245 -40.198 -4.624 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 6.984 -42.145 -13.847 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 6.954 -41.475 -14.557 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 6.559 -42.917 -14.232 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 8.784 -41.727 -11.816 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 8.065 -41.902 -12.463 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 9.604 -41.893 -12.323 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 9.394 -39.813 -7.655 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 8.994 -40.630 -8.034 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 10.071 -39.554 -8.316 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 1.928 -43.223 -22.132 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 1.972 -44.163 -21.924 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 1.321 -43.178 -22.912 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 11.213 -28.895 -6.484 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 12.167 -28.955 -6.261 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 10.766 -29.211 -5.692 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 10.948 -44.920 -14.472 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 11.899 -45.092 -14.247 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 10.460 -45.536 -13.917 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 6.168 -37.052 -0.516 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 6.474 -37.911 -0.829 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 6.559 -36.963 0.359 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 10.894 -42.160 -13.530 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 10.863 -43.112 -13.749 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 11.253 -41.743 -14.343 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 11.887 -41.043 -15.793 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 12.344 -40.185 -15.787 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 12.419 -41.597 -16.406 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 11.285 -39.292 -9.585 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 11.305 -39.427 -10.554 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 11.937 -39.940 -9.240 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 1.692 -34.471 -17.248 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 2.086 -34.880 -16.443 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 1.240 -35.221 -17.697 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 2.475 -38.001 -16.656 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 2.331 -38.976 -16.587 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 3.431 -37.919 -16.879 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 5.191 -36.121 -14.101 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 5.893 -36.777 -13.942 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 5.660 -35.354 -14.500 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 7.255 -31.549 -9.411 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 7.026 -32.342 -9.933 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 7.379 -31.886 -8.499 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 7.516 -37.884 -7.254 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 6.754 -38.449 -7.101 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 8.255 -38.514 -7.406 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 12.831 -42.816 -17.703 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 13.476 -43.052 -18.411 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 12.275 -43.629 -17.604 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 15.202 -43.176 -4.049 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 15.069 -43.804 -3.306 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 14.309 -43.018 -4.393 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 6.676 -38.551 -13.900 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 6.882 -39.163 -14.647 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 5.937 -38.978 -13.445 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 2.544 -41.267 -20.256 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 3.138 -41.688 -19.612 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 2.289 -41.996 -20.862 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 -2.180 -34.738 -18.320 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 -2.982 -34.177 -18.397 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 -2.535 -35.638 -18.185 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 10.561 -36.120 -4.965 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 11.259 -36.589 -4.464 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 9.873 -36.790 -5.093 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 5.119 -35.077 -2.097 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 5.600 -35.771 -1.592 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 4.203 -35.176 -1.818 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 5.474 -40.150 -19.843 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 5.924 -40.882 -20.304 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 6.209 -39.633 -19.432 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 7.478 -35.195 -6.943 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 6.814 -35.081 -6.221 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 7.510 -36.173 -7.082 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 12.218 -38.024 -3.763 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 11.437 -38.533 -4.085 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 12.949 -38.324 -4.338 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 10.770 -41.291 -21.540 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 11.324 -41.106 -20.747 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 10.732 -40.423 -22.010 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 11.741 -39.739 -12.341 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 11.465 -40.651 -12.572 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 12.008 -39.350 -13.192 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 12.444 -37.422 -7.806 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 13.355 -37.754 -7.973 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 11.880 -37.986 -8.370 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 10.932 -41.840 -4.455 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 10.692 -42.743 -4.676 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 11.795 -41.702 -4.905 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 9.335 -41.624 -16.873 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 9.383 -40.841 -17.478 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 10.194 -41.620 -16.413 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 13.377 -40.782 -8.487 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 13.870 -41.414 -9.026 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 13.970 -39.985 -8.448 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 14.110 -35.780 -5.618 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 14.535 -36.085 -4.788 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 14.569 -36.295 -6.316 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 6.011 -29.533 -1.939 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 5.682 -29.198 -1.099 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 5.299 -29.321 -2.579 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 8.620 -28.176 -7.453 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 9.533 -28.501 -7.341 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 8.346 -28.517 -8.324 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 2.607 -35.722 -14.978 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 3.518 -35.806 -14.613 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 2.426 -36.604 -15.366 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 5.403 -30.841 -12.127 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 5.907 -31.609 -11.781 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 4.745 -31.245 -12.743 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 -0.811 -33.590 -20.442 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 0.093 -33.247 -20.257 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 -1.025 -34.145 -19.663 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 7.748 -32.385 -6.709 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 7.560 -33.341 -6.799 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 8.523 -32.352 -6.127 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 12.874 -33.908 -3.952 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 13.601 -33.518 -3.416 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 13.326 -34.556 -4.535 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 11.860 -34.780 -1.355 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 12.201 -35.695 -1.279 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 12.107 -34.508 -2.256 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 15.300 -35.452 -1.071 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 15.744 -35.429 -0.189 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 14.534 -36.044 -0.937 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 5.836 -32.583 -3.133 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 5.630 -33.420 -2.661 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 6.060 -31.961 -2.427 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 13.096 -37.248 -1.281 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 13.180 -38.070 -0.786 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 12.819 -37.536 -2.183 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 10.361 -33.348 -5.051 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 11.178 -33.290 -4.513 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 9.978 -34.211 -4.805 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 15.533 -36.799 -3.514 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 16.475 -36.993 -3.673 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 15.529 -36.327 -2.653 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 14.378 -28.624 -43.454 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 15.324 -28.692 -43.703 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 14.344 -28.964 -42.531 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 13.215 -28.906 -45.840 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 13.012 -27.976 -46.021 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 13.576 -28.900 -44.930 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 13.033 -18.279 -41.979 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 13.796 -18.213 -42.569 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 13.043 -17.438 -41.478 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 14.867 -23.556 -46.911 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 14.925 -22.609 -46.680 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 15.412 -24.000 -46.225 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 10.932 -14.912 -42.019 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 10.604 -15.537 -42.703 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 11.663 -15.391 -41.593 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 11.566 -20.530 -41.367 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 10.769 -20.292 -41.845 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 12.170 -19.768 -41.514 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 10.181 -16.604 -44.015 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 10.324 -17.538 -44.194 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 10.055 -16.209 -44.884 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 13.226 -26.184 -43.714 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 13.261 -26.062 -44.688 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 13.589 -27.088 -43.576 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 8.357 -15.730 -36.402 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 9.246 -15.614 -36.762 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 8.232 -14.954 -35.815 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 10.575 -27.349 -36.667 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 11.387 -26.832 -36.474 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 10.403 -27.170 -37.624 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 6.579 -27.861 -37.173 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 7.449 -27.901 -37.588 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 6.153 -28.701 -37.430 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 6.916 -29.346 -39.896 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 6.399 -28.709 -40.399 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 6.274 -29.731 -39.265 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 5.019 -30.043 -37.962 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 4.941 -30.984 -37.759 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 4.252 -29.635 -37.503 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 19.090 -12.785 -44.403 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 18.423 -13.473 -44.209 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 18.810 -12.023 -43.858 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 15.729 -15.779 -40.313 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 16.528 -15.974 -40.829 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 15.956 -16.085 -39.408 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 19.225 -21.851 -40.880 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 19.454 -22.628 -41.438 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 18.991 -21.150 -41.528 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 17.471 -15.107 -43.800 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 16.794 -15.655 -44.259 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 18.110 -15.763 -43.462 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 12.452 -23.110 -40.833 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 11.991 -22.271 -41.060 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 12.968 -22.883 -40.033 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 15.966 -22.197 -42.378 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 15.104 -22.550 -42.696 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 16.543 -22.994 -42.334 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 13.827 -23.603 -43.160 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 13.612 -24.525 -43.414 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 13.242 -23.424 -42.395 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 14.150 -27.206 -38.292 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 14.937 -26.634 -38.405 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 13.666 -27.111 -39.130 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 12.408 -25.957 -40.967 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 12.362 -24.981 -40.890 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 12.625 -26.111 -41.907 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 9.689 -29.383 -40.419 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 9.680 -29.622 -41.353 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 8.749 -29.472 -40.139 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 1.432 -30.944 -37.240 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 0.833 -31.172 -36.507 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 1.936 -30.172 -36.909 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 10.843 -30.093 -36.629 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 10.666 -29.127 -36.583 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 10.101 -30.499 -36.123 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 11.529 -16.776 -37.999 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 10.823 -17.458 -38.015 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 11.952 -16.851 -38.867 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 -1.955 -22.449 -28.122 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 -1.289 -22.009 -27.560 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 -1.768 -22.105 -29.028 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 -1.081 -21.735 -30.566 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 -1.472 -21.358 -31.372 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 -0.842 -22.652 -30.825 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 8.119 -23.745 -34.696 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 8.829 -23.140 -35.009 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 8.569 -24.619 -34.607 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 9.869 -21.860 -35.638 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 9.205 -21.137 -35.628 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 10.453 -21.639 -36.403 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 7.988 -16.407 -32.406 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 7.424 -15.609 -32.459 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 8.733 -16.217 -33.022 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 12.183 -29.806 -39.069 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 11.799 -30.024 -38.197 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 11.405 -29.709 -39.650 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 2.145 -21.235 -35.687 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 2.471 -20.324 -35.764 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 2.961 -21.773 -35.627 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 -0.704 -15.052 -28.245 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 -0.588 -15.484 -27.368 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 -1.246 -15.671 -28.744 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 10.722 -12.500 -35.130 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 9.781 -12.699 -34.944 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 11.095 -13.365 -35.412 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 11.644 -14.949 -35.911 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 12.463 -15.099 -35.400 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 11.682 -15.621 -36.635 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 11.317 -20.975 -37.736 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 12.190 -21.241 -38.098 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 10.907 -20.475 -38.456 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 3.498 -25.927 -33.465 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 3.810 -26.155 -34.365 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 4.037 -25.165 -33.214 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 3.054 -28.834 -36.323 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 3.472 -27.953 -36.389 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 2.693 -28.855 -35.404 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 -1.235 -24.797 -36.282 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 -0.806 -23.939 -36.532 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 -0.509 -25.434 -36.296 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 4.599 -26.421 -36.018 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 5.334 -27.001 -36.326 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 4.917 -25.517 -36.220 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 4.692 -22.267 -35.674 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 4.986 -22.407 -34.745 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 5.176 -22.953 -36.181 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 9.102 -26.297 -34.622 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 9.536 -26.692 -35.410 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 8.747 -27.058 -34.141 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 11.279 -23.430 -33.942 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 11.174 -22.898 -33.122 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 10.863 -22.876 -34.637 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 8.237 -19.655 -35.587 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 7.651 -19.123 -36.169 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 7.852 -19.524 -34.683 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 6.225 -17.094 -25.000 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 6.405 -17.016 -24.026 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 7.023 -16.699 -25.422 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 3.546 -14.801 -26.583 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 2.800 -14.175 -26.424 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 4.179 -14.279 -27.128 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 10.639 -18.416 -35.058 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 9.787 -18.889 -35.134 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 11.284 -19.029 -35.431 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 -1.718 -18.696 -25.298 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 -1.612 -19.204 -24.471 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 -2.292 -19.272 -25.860 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 4.443 -19.631 -36.464 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 4.625 -20.546 -36.165 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 5.124 -19.457 -37.121 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 7.179 -18.901 -33.246 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 7.052 -19.498 -32.484 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 7.380 -18.029 -32.841 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 6.730 -17.881 -36.981 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 7.265 -17.067 -36.824 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 5.905 -17.718 -36.498 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 0.133 -22.555 -36.937 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 0.176 -22.014 -37.729 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 0.815 -22.161 -36.341 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 1.160 -17.045 -17.871 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 1.793 -17.719 -17.606 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 0.280 -17.445 -17.664 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 2.753 -14.074 -20.745 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 3.602 -14.574 -20.762 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 2.601 -13.825 -21.675 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 10.272 -16.043 -33.806 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 10.614 -15.454 -34.502 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 10.425 -16.949 -34.166 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 9.451 -18.674 -38.152 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 8.581 -18.279 -38.315 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 9.338 -19.156 -37.318 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 5.918 -22.799 -33.300 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 6.185 -22.054 -32.735 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 6.758 -23.123 -33.685 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 6.264 -24.296 -36.636 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 6.809 -24.608 -37.367 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 6.908 -24.127 -35.912 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 13.747 -21.579 -38.887 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 14.182 -21.013 -39.536 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 14.437 -21.732 -38.201 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 8.139 -13.499 -34.718 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 7.742 -12.611 -34.882 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 7.626 -13.848 -33.959 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 16.851 -22.608 -39.739 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 16.367 -22.444 -40.572 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 17.777 -22.361 -39.953 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 12.922 -26.046 -36.164 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 13.438 -25.213 -36.213 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 13.293 -26.594 -36.893 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 10.426 -26.967 -39.311 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 10.187 -27.805 -39.753 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 11.100 -26.568 -39.902 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 14.086 -28.637 -33.547 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 13.959 -29.500 -33.097 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 14.096 -28.864 -34.503 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 -2.301 -24.495 -33.783 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 -2.465 -25.445 -33.546 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 -1.933 -24.538 -34.693 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 -3.450 -13.348 -23.241 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 -3.404 -12.557 -23.835 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 -4.295 -13.759 -23.463 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 -1.469 -15.278 -23.399 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 -0.901 -15.191 -22.622 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 -2.095 -14.522 -23.325 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 -0.419 -12.387 -27.872 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 -0.634 -13.343 -28.000 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 -0.122 -12.095 -28.742 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 -0.483 -16.285 -25.806 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 -0.899 -17.169 -25.712 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 -0.758 -15.808 -24.996 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 1.433 -25.817 -31.601 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 2.114 -25.803 -32.307 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 1.890 -26.248 -30.834 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 2.223 -28.738 -33.738 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 2.774 -28.106 -33.245 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 2.489 -29.622 -33.384 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 7.105 -11.011 -34.616 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 7.250 -10.108 -34.948 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 6.655 -10.877 -33.765 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 7.033 -23.152 -11.044 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 7.177 -22.688 -10.194 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 7.272 -22.501 -11.709 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 -1.250 -26.719 -13.287 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 -0.729 -27.538 -13.148 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 -1.278 -26.621 -14.260 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 -0.911 -18.585 -10.522 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 -1.766 -18.418 -10.105 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 -0.916 -18.000 -11.321 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 4.261 -27.658 -14.087 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 3.771 -26.874 -13.763 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 3.615 -28.115 -14.673 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 -3.486 -24.015 -11.919 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 -4.300 -24.101 -12.452 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 -3.421 -24.860 -11.438 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 0.957 -28.181 -7.344 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 0.378 -28.021 -6.559 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 1.088 -29.138 -7.349 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 1.962 -27.861 -11.514 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 2.230 -27.121 -12.104 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 1.333 -28.383 -12.060 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 7.091 -28.921 -9.826 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 6.175 -28.771 -9.539 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 7.225 -29.893 -9.699 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 1.380 -23.735 -11.677 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 1.095 -22.804 -11.628 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 1.575 -23.969 -10.748 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 4.272 -28.789 -10.346 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 3.397 -28.499 -10.693 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 4.440 -29.634 -10.803 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 5.693 -30.642 -5.106 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 5.757 -31.351 -4.433 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 6.245 -30.961 -5.838 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 8.855 -20.237 -6.734 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 9.827 -20.135 -6.749 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 8.708 -20.992 -6.121 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 0.115 -29.107 -13.128 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 0.315 -29.529 -13.977 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 -0.459 -29.757 -12.665 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 2.411 -25.781 -13.251 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 2.164 -24.998 -12.708 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 1.971 -25.629 -14.099 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 6.264 -25.818 -11.183 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 6.506 -24.865 -11.218 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 5.835 -25.923 -10.311 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 2.833 -32.106 -16.435 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 2.172 -31.399 -16.552 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 2.404 -32.900 -16.816 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 4.281 -22.848 -5.885 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 5.178 -23.184 -5.671 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 4.295 -22.737 -6.842 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 11.527 -20.424 -5.920 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 11.880 -19.568 -6.248 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 12.028 -20.585 -5.090 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 0.328 -26.691 -9.605 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 0.889 -27.096 -10.303 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 0.444 -27.285 -8.832 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 6.840 -26.259 -6.791 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 6.305 -26.309 -7.613 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 7.571 -26.907 -6.942 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 7.470 -21.286 -8.985 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 6.790 -20.612 -9.067 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 8.057 -20.952 -8.279 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 3.538 -32.066 -13.702 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 3.523 -31.938 -14.673 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 2.806 -32.693 -13.539 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 -2.827 -21.045 -14.214 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 -3.381 -20.947 -13.410 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 -2.091 -21.623 -13.925 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 2.012 -24.341 -5.231 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 2.211 -25.009 -5.913 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 2.790 -23.747 -5.250 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 4.982 -26.573 -8.842 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 4.185 -26.303 -8.349 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 4.693 -27.362 -9.349 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 8.854 -23.103 -2.432 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 8.892 -24.072 -2.277 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 9.711 -22.773 -2.102 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 2.803 -26.148 -7.134 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 2.213 -26.932 -7.230 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 3.419 -26.397 -6.403 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 1.197 -31.892 -11.507 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 1.187 -32.665 -12.110 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 1.957 -31.377 -11.800 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 6.736 -23.954 -5.378 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 6.425 -24.271 -4.501 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 6.874 -24.781 -5.898 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 8.032 -28.057 -3.260 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 7.446 -28.631 -2.727 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 7.983 -28.431 -4.147 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 9.083 -25.810 -2.021 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 8.759 -26.603 -2.511 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 8.700 -25.913 -1.116 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 -0.010 -25.354 -3.692 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 0.442 -25.632 -2.880 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 0.695 -24.900 -4.215 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 4.081 -28.851 -3.805 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 4.269 -28.024 -4.302 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 4.503 -29.556 -4.350 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 -5.158 -13.610 -13.405 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 -5.031 -12.952 -14.118 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 -4.763 -14.430 -13.763 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 12.824 -21.265 -3.676 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 12.259 -21.386 -2.879 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 13.718 -21.494 -3.373 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 1.529 -24.326 -8.874 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 0.947 -25.059 -9.164 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 2.145 -24.748 -8.250 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 14.837 -32.981 -2.263 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 14.768 -32.406 -1.475 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 15.099 -33.857 -1.895 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 -2.568 -32.414 -13.429 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 -2.143 -31.764 -12.827 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 -3.021 -33.022 -12.839 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 -0.127 -21.323 -10.997 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 -0.609 -21.750 -11.735 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 -0.412 -20.391 -11.033 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 13.815 -28.963 -5.600 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 14.339 -29.634 -5.105 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 14.078 -28.113 -5.195 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 0.428 -30.442 -16.535 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 0.039 -31.340 -16.627 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 -0.257 -29.850 -16.917 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 -1.330 -30.852 -11.577 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 -0.479 -31.276 -11.317 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 -1.588 -30.322 -10.785 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 2.216 -28.447 -15.756 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 1.601 -29.154 -16.042 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 1.908 -27.656 -16.228 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 -0.637 -26.788 -20.673 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 -0.317 -26.244 -21.422 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 -1.468 -26.367 -20.412 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 1.875 -27.663 -2.655 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 1.132 -28.170 -2.999 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 2.665 -28.127 -3.010 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 12.336 -32.919 0.599 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 11.581 -33.009 1.184 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 12.175 -33.591 -0.103 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 -3.343 -18.456 2.221 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 -3.527 -17.983 3.042 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 -3.198 -19.388 2.507 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 8.956 -20.833 -0.062 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 8.427 -20.181 0.460 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 8.349 -21.578 -0.188 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 8.840 -22.303 -4.990 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 8.833 -22.426 -4.012 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 8.106 -22.881 -5.303 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 5.482 -25.531 1.530 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 5.070 -25.889 2.321 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 4.862 -24.833 1.234 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 16.326 -35.348 1.487 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 16.462 -34.502 1.947 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 16.730 -36.007 2.076 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 3.570 -23.597 1.004 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 2.925 -23.947 0.357 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 3.085 -22.898 1.461 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 10.211 -17.980 -0.365 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 10.622 -17.085 -0.327 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 10.884 -18.563 0.007 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 10.238 -15.137 2.783 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 10.756 -15.641 3.423 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 10.062 -14.287 3.237 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 6.187 -14.991 1.064 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 6.213 -14.393 1.845 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 6.970 -15.576 1.184 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 4.638 -26.557 -5.159 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 5.457 -26.552 -5.702 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 4.838 -25.944 -4.423 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 5.474 -24.764 -3.103 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 4.627 -24.971 -2.628 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 6.157 -24.871 -2.423 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 5.122 -20.470 2.257 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 5.423 -20.995 1.477 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 5.502 -20.931 3.013 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 7.944 -26.012 0.444 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 7.029 -25.754 0.694 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 8.298 -26.415 1.239 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 13.263 -23.609 -0.846 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 13.394 -23.855 0.076 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 14.172 -23.625 -1.229 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 7.289 -19.081 1.124 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 6.465 -19.260 1.610 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 7.500 -18.151 1.340 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 18.159 -27.728 2.273 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 19.121 -27.849 2.423 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 17.975 -26.849 2.625 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 11.202 -15.547 0.219 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 12.180 -15.463 0.209 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 10.943 -15.234 1.111 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 1.281 -23.754 -0.685 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 0.316 -23.870 -0.623 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 1.395 -22.790 -0.848 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 11.159 -21.757 -1.522 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 11.768 -22.309 -0.995 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 10.537 -21.377 -0.860 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 14.357 -18.228 1.009 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 14.534 -19.167 1.102 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 15.100 -17.795 1.493 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 2.591 -19.952 1.273 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 3.487 -20.038 1.664 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 2.119 -19.378 1.885 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 -0.616 -21.569 -2.759 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 -1.026 -22.296 -2.252 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 0.138 -21.292 -2.205 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 8.379 -16.551 1.270 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 8.992 -16.042 1.844 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 8.970 -17.035 0.661 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 4.786 -16.337 -0.927 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 5.286 -15.779 -0.290 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 4.111 -16.760 -0.389 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 1.607 -21.061 -1.106 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 2.088 -20.610 -1.828 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 1.945 -20.633 -0.287 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 3.169 -25.373 -1.884 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 2.482 -24.796 -1.492 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 2.689 -26.202 -2.101 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 -1.916 -14.216 4.270 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 -2.622 -14.464 3.628 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 -2.380 -14.122 5.106 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 5.698 -22.047 0.106 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 5.065 -22.732 0.396 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 5.527 -21.958 -0.858 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 4.849 -21.986 -2.503 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 4.882 -22.858 -2.932 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 4.081 -21.551 -2.905 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 14.361 -23.664 -4.731 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 14.541 -24.611 -4.582 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 15.169 -23.219 -4.441 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 6.598 -12.678 -0.300 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 6.605 -13.486 0.255 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 5.672 -12.355 -0.232 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 18.564 -24.348 -2.430 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 19.378 -24.732 -2.044 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 18.874 -23.899 -3.234 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 11.413 -24.573 -2.816 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 11.998 -24.384 -2.056 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 10.709 -25.148 -2.443 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 14.039 -29.222 -1.551 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 14.166 -29.923 -0.872 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 13.194 -29.440 -1.957 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 14.499 -31.318 0.139 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 13.733 -31.896 0.384 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 14.906 -31.087 0.989 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 10.103 -11.528 1.928 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 10.280 -10.598 2.177 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 9.773 -11.939 2.748 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 -3.902 -14.838 2.490 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 -3.519 -14.514 1.651 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 -4.851 -14.962 2.282 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 16.370 -14.505 0.783 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 16.561 -13.697 1.297 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 16.385 -14.202 -0.149 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 10.772 -11.131 -39.386 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 10.570 -11.639 -40.212 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 9.904 -10.887 -39.045 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 14.525 -7.762 -41.093 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 13.896 -8.341 -40.613 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 13.968 -7.237 -41.674 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 13.065 -15.917 -40.483 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 12.837 -15.146 -39.945 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 14.056 -15.904 -40.510 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 9.927 -12.452 -41.560 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 10.351 -13.328 -41.723 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 9.171 -12.444 -42.152 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 5.759 -10.436 -27.297 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 5.948 -10.961 -28.088 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 4.823 -10.182 -27.399 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 0.561 -8.922 -27.836 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 0.835 -8.228 -28.443 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 1.371 -9.441 -27.686 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 -1.479 -10.201 -26.519 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 -0.903 -9.586 -27.031 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 -1.283 -11.082 -26.908 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 11.662 -6.131 -27.916 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 12.029 -6.230 -28.814 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 12.360 -5.651 -27.424 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 6.547 -7.220 -24.791 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 5.932 -6.556 -25.122 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 7.340 -6.696 -24.511 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 -3.443 -11.090 -24.730 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 -2.851 -10.817 -25.462 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 -3.762 -10.260 -24.361 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 7.024 -8.233 -34.451 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 7.852 -7.789 -34.759 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 6.318 -7.715 -34.853 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 -1.110 -8.967 -24.101 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 -1.231 -9.390 -24.981 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 -1.777 -8.270 -24.078 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 8.997 -6.804 -35.674 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 8.859 -5.977 -36.139 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 9.970 -6.955 -35.736 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 3.175 -9.316 -21.774 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 2.604 -8.994 -22.504 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 4.086 -9.073 -22.058 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 12.111 -10.484 -33.476 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 11.719 -10.905 -34.262 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 11.800 -11.032 -32.737 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 1.522 -8.320 -23.776 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 1.597 -7.339 -23.832 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 0.558 -8.489 -23.849 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 7.952 -8.906 -26.446 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 7.456 -8.290 -25.866 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 7.253 -9.441 -26.874 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 5.003 -11.461 -30.519 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 5.792 -12.055 -30.463 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 5.270 -10.777 -31.173 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 2.395 -10.848 -30.180 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 2.007 -10.709 -31.050 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 3.321 -11.127 -30.370 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 1.783 -12.784 -26.326 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 0.905 -12.724 -26.765 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 1.658 -12.326 -25.479 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 8.733 -5.758 -24.242 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 9.212 -5.762 -23.391 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 9.214 -5.097 -24.787 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 12.293 -11.424 -37.089 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 11.811 -11.494 -37.938 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 11.690 -11.835 -36.436 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 13.611 -5.260 -34.886 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 13.414 -5.043 -33.941 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 13.840 -4.411 -35.279 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 5.712 -8.717 -22.653 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 6.376 -8.328 -22.046 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 5.878 -8.260 -23.506 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 14.910 -7.663 -34.735 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 14.308 -8.195 -35.303 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 14.556 -6.747 -34.805 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 -2.302 -11.830 -21.244 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 -2.808 -12.420 -21.842 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 -2.154 -12.376 -20.437 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 6.247 -9.735 -32.262 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 7.007 -9.690 -31.644 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 6.461 -9.069 -32.952 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 8.400 -10.348 -30.650 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 9.105 -10.504 -31.293 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 7.952 -11.222 -30.567 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 2.699 -10.517 -24.810 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 2.285 -9.699 -24.452 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 2.869 -10.306 -25.749 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 1.563 -5.606 -23.451 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 1.656 -4.650 -23.421 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 1.725 -5.894 -22.525 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 2.163 -12.355 -22.874 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 1.371 -11.894 -22.524 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 2.492 -11.757 -23.576 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 2.886 -10.566 -27.554 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 2.744 -10.617 -28.530 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 2.624 -11.456 -27.230 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 7.945 -7.763 -21.229 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 8.448 -8.590 -21.396 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 8.564 -7.054 -21.494 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 10.221 -6.146 -21.942 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 10.637 -5.925 -21.096 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 10.927 -5.974 -22.606 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 -0.016 -10.720 -22.255 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 -0.790 -11.159 -21.833 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 -0.403 -10.235 -23.015 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 -12.363 -4.546 -24.209 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 -12.351 -3.698 -24.651 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 -12.596 -4.342 -23.303 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 13.508 -6.580 -30.364 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 14.222 -6.803 -29.724 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 13.564 -7.285 -31.040 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 13.191 -4.603 -32.300 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 13.341 -5.276 -31.602 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 12.689 -3.914 -31.857 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 11.696 -6.937 -36.020 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 12.246 -7.713 -36.237 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 12.321 -6.309 -35.606 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 13.280 -10.209 -30.216 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 12.560 -10.816 -30.489 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 13.385 -9.604 -30.980 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 12.210 -5.551 -23.691 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 13.010 -5.972 -23.306 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 12.530 -5.126 -24.506 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 14.189 -6.605 -22.170 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 14.119 -7.518 -21.805 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 15.155 -6.417 -22.167 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 12.926 -9.354 -39.536 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 12.579 -8.907 -38.751 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 12.270 -10.062 -39.714 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 13.808 -8.599 -32.375 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 13.130 -9.146 -32.842 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 14.327 -8.195 -33.105 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 10.123 -10.277 -28.357 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 9.457 -10.064 -29.040 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 10.148 -11.240 -28.344 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 5.185 -13.199 -27.992 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 4.918 -12.819 -28.845 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 6.053 -13.651 -28.192 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 6.529 -14.119 -32.574 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 6.800 -13.702 -31.717 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 5.566 -14.118 -32.540 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 -1.819 -13.380 -19.069 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 -2.414 -14.162 -19.120 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 -0.917 -13.771 -18.978 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 0.593 -14.640 -19.010 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 0.839 -15.530 -18.665 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 1.325 -14.414 -19.622 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 -0.798 -7.304 -18.224 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 -0.897 -7.424 -19.186 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 -0.062 -7.899 -17.987 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 10.165 -6.677 -8.133 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 10.361 -5.733 -7.952 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 10.900 -6.962 -8.724 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 7.698 -7.450 -8.950 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 7.487 -6.907 -9.738 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 8.640 -7.232 -8.754 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 4.124 -7.992 -17.665 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 3.877 -7.105 -17.392 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 5.018 -7.883 -18.049 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 9.150 -7.259 -12.101 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 10.114 -7.223 -12.250 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 8.890 -8.149 -12.422 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 -3.288 -7.571 -16.911 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 -3.364 -6.770 -16.358 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 -2.403 -7.497 -17.317 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 8.304 -9.804 -12.779 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 7.456 -10.178 -13.043 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 8.325 -9.930 -11.798 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 14.356 -6.711 -4.548 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 15.107 -6.157 -4.879 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 13.663 -6.070 -4.343 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 12.282 -12.052 -11.265 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 11.942 -12.787 -10.708 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 11.614 -11.945 -11.948 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 -4.296 -7.805 -14.191 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 -4.270 -8.155 -15.099 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 -3.852 -6.935 -14.262 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 8.891 -7.775 -5.809 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 7.991 -7.978 -6.149 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 9.367 -7.416 -6.589 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 4.704 -6.246 -9.365 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 4.013 -6.368 -10.023 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 5.504 -6.078 -9.888 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 6.751 -7.897 -18.721 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 7.104 -7.742 -19.626 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 6.599 -8.862 -18.687 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 7.638 -4.707 -16.423 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 7.319 -4.669 -17.332 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 7.434 -3.825 -16.059 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 10.024 -4.047 -5.203 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 9.976 -3.109 -5.001 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 10.179 -4.077 -6.170 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 8.830 -7.204 -16.973 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 8.140 -7.426 -17.633 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 8.564 -6.325 -16.639 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 -1.183 -4.880 -16.953 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 -0.899 -4.194 -17.563 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 -0.978 -5.719 -17.421 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 10.048 -9.314 -3.938 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 9.640 -8.682 -4.571 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 10.872 -9.603 -4.389 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 8.506 -11.389 -5.884 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 8.543 -11.523 -6.857 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 8.980 -10.559 -5.742 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 13.360 -8.448 -18.542 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 13.650 -8.544 -19.467 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 13.339 -7.474 -18.395 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 3.453 -9.203 -5.010 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 3.543 -8.465 -5.648 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 2.631 -9.665 -5.292 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 -3.124 -5.438 -15.108 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 -3.468 -4.600 -14.785 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 -2.334 -5.184 -15.642 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 6.779 -4.398 -13.377 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 6.969 -5.082 -14.034 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 6.822 -3.567 -13.880 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 6.369 -7.037 -2.983 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 7.263 -6.652 -3.088 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 5.833 -6.578 -3.660 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 7.197 -5.721 -11.051 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 6.876 -5.196 -11.823 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 7.905 -6.297 -11.438 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 2.114 -11.910 -8.039 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 2.127 -11.481 -7.163 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 1.288 -11.579 -8.448 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 -5.693 -12.033 -11.322 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 -5.109 -11.329 -11.665 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 -5.605 -12.759 -11.990 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 -4.236 -9.385 -18.693 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 -5.186 -9.576 -18.511 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 -3.996 -8.706 -18.022 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 8.079 -3.783 -9.320 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 7.584 -3.009 -9.619 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 7.841 -4.485 -9.969 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 5.280 -10.345 -15.361 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 6.017 -9.701 -15.472 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 5.730 -11.176 -15.124 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 -2.233 -12.248 -11.942 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 -2.857 -11.606 -12.325 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 -2.061 -12.879 -12.670 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 8.006 -10.008 -10.130 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 8.310 -10.638 -9.445 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 7.826 -9.187 -9.639 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 -0.429 -8.343 -20.872 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 -1.406 -8.426 -20.996 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 -0.062 -9.041 -21.453 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 7.728 -9.197 -15.418 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 8.226 -8.536 -15.940 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 8.237 -9.282 -14.591 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 6.462 -8.518 -6.801 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 5.554 -8.142 -6.816 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 6.820 -8.310 -7.691 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 5.355 -5.399 -5.011 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 5.214 -4.528 -4.623 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 6.016 -5.240 -5.728 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 11.242 -8.657 -16.744 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 10.481 -8.091 -16.987 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 11.832 -8.619 -17.525 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 -0.393 -10.872 -8.581 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 -0.593 -10.087 -9.100 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 -0.814 -10.701 -7.711 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 9.053 -11.909 -8.451 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 10.011 -11.901 -8.246 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 8.918 -12.758 -8.939 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 2.691 -11.306 -19.984 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 2.844 -10.711 -20.757 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 2.615 -12.199 -20.380 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 4.121 -7.165 -6.763 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 4.173 -6.758 -7.655 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 4.370 -6.438 -6.154 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 11.512 -12.030 -7.155 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 12.381 -11.983 -7.599 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 11.591 -11.385 -6.421 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 -2.989 -9.180 -21.126 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 -2.834 -10.138 -21.258 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 -3.540 -9.139 -20.313 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 -1.542 -10.480 -6.092 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 -2.391 -9.995 -6.113 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 -1.675 -11.157 -5.393 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 1.911 -6.829 -21.032 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 2.515 -7.588 -20.960 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 1.023 -7.218 -20.916 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 12.560 -4.849 -20.771 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 13.163 -5.443 -21.269 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 12.387 -4.123 -21.382 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 1.255 -10.639 -5.714 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 1.132 -11.424 -5.131 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 0.345 -10.318 -5.870 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 3.226 -14.230 -8.953 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 4.134 -14.040 -9.204 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 2.889 -13.372 -8.600 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 8.924 -6.077 -3.633 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 9.334 -5.273 -4.018 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 8.870 -6.697 -4.388 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 6.966 -5.111 -7.145 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 7.407 -4.493 -7.754 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 6.974 -5.955 -7.619 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 3.591 -9.866 -2.334 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 3.491 -9.679 -3.293 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 3.642 -8.993 -1.929 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 -2.092 -12.377 -4.113 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 -2.456 -12.189 -3.217 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 -2.688 -13.053 -4.475 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 13.039 -5.762 -18.273 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 12.730 -5.087 -17.667 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 12.875 -5.380 -19.165 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 13.762 -9.171 -21.210 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 14.378 -9.921 -21.396 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 12.912 -9.600 -21.054 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 6.867 -2.247 -15.265 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 5.997 -1.837 -15.368 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 7.478 -1.500 -15.224 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 10.139 -7.802 -1.699 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 9.735 -6.996 -2.080 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 10.197 -8.420 -2.462 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 11.906 -7.090 -12.700 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 12.165 -7.890 -13.218 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 12.010 -6.362 -13.326 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 12.162 -7.287 -9.962 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 12.561 -8.161 -9.881 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 12.081 -7.149 -10.931 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 10.452 -3.948 -7.952 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 9.603 -3.810 -8.432 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 11.093 -3.435 -8.455 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 -4.161 -9.458 -6.173 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 -4.984 -9.656 -5.674 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 -4.250 -8.529 -6.415 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 12.369 -9.157 -14.389 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 11.905 -9.969 -14.159 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 12.015 -8.924 -15.287 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 -1.259 -16.953 -12.709 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 -1.291 -16.014 -12.968 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 -1.631 -17.425 -13.479 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 -4.174 -10.298 -12.859 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 -4.394 -10.753 -13.709 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 -3.971 -9.380 -13.129 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 -3.713 -14.603 -5.567 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 -4.605 -14.849 -5.236 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 -3.865 -13.757 -6.052 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 -1.713 -14.331 -13.880 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 -2.615 -14.635 -14.100 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 -1.189 -14.550 -14.684 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 1.158 -9.294 -18.851 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 0.546 -8.948 -19.529 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 1.596 -10.049 -19.293 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 0.613 -12.763 -4.195 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 -0.360 -12.632 -4.156 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 0.821 -13.231 -3.382 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 12.103 -11.093 4.340 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 12.894 -10.693 4.766 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 11.737 -10.364 3.793 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 8.217 -7.237 1.174 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 8.214 -7.754 1.985 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 9.016 -6.680 1.249 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 1.940 -11.941 1.429 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 1.486 -12.542 2.052 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 2.330 -11.246 2.008 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 5.582 -10.212 1.424 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 5.883 -9.470 0.861 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 5.082 -10.788 0.807 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 4.068 -11.679 -0.305 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 3.250 -11.873 0.210 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 3.758 -11.106 -1.043 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 10.503 -5.855 1.901 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 10.796 -6.088 2.811 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 10.480 -4.890 1.899 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 13.931 -5.857 3.948 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 14.115 -6.237 3.054 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 14.543 -5.118 4.019 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 11.143 -9.066 2.759 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 11.471 -8.744 1.895 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 11.184 -8.276 3.340 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 3.309 -10.145 2.992 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 3.346 -9.375 3.565 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 4.181 -10.156 2.547 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 10.034 -12.861 4.419 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 9.744 -12.983 5.330 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 10.837 -12.291 4.496 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 0.460 -13.600 3.160 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 -0.413 -13.808 3.577 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 1.105 -13.940 3.787 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 6.377 -8.337 -0.525 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 6.920 -7.725 0.023 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 6.239 -7.844 -1.366 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 11.873 -7.737 0.385 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 11.306 -7.811 -0.422 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 11.484 -6.979 0.875 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 11.420 -6.779 4.304 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 12.353 -6.451 4.254 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 11.179 -6.663 5.230 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 12.673 -12.596 2.073 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 11.747 -12.418 1.821 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 12.740 -12.246 2.979 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 14.210 -9.554 5.131 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 14.689 -9.469 5.963 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 14.384 -8.723 4.670 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 -2.867 -14.155 0.039 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 -2.031 -13.711 0.311 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 -3.220 -13.577 -0.664 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 8.637 -9.915 -0.696 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 9.217 -9.154 -0.900 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 7.772 -9.505 -0.498 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 -0.724 -12.703 0.792 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 0.108 -12.301 0.491 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 -0.515 -13.028 1.690 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 6.590 -12.790 2.722 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 6.334 -11.956 2.288 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 7.028 -12.513 3.529 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 21.200 -34.903 -42.074 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 20.322 -34.509 -42.015 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 21.383 -34.935 -43.038 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 23.363 -32.097 -45.240 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 23.532 -32.210 -46.198 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 23.421 -31.131 -45.098 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 23.115 -36.964 -41.820 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 23.920 -36.499 -41.529 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 22.412 -36.294 -41.740 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 30.071 -30.976 -39.587 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 30.153 -31.926 -39.316 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 30.978 -30.703 -39.763 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 22.430 -34.869 -47.521 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 22.773 -35.407 -48.244 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 22.860 -33.991 -47.651 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 23.963 -34.241 -43.682 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 23.266 -34.780 -44.094 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 23.912 -33.385 -44.159 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 17.423 -29.534 -40.811 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 17.519 -30.350 -40.285 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 18.050 -29.659 -41.564 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 20.849 -32.087 -39.541 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 21.588 -32.699 -39.734 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 20.065 -32.662 -39.527 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 22.741 -34.007 -39.951 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 23.653 -34.177 -40.284 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 22.162 -34.344 -40.670 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 22.039 -37.929 -44.116 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 22.497 -37.731 -43.265 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 22.032 -38.888 -44.162 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 28.405 -31.406 -41.755 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 28.535 -30.620 -42.340 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 28.985 -31.229 -40.987 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 16.121 -30.744 -46.164 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 15.160 -30.780 -46.045 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 16.409 -30.012 -45.574 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 16.778 -28.401 -44.901 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 16.586 -27.741 -45.594 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 17.689 -28.176 -44.608 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 25.306 -30.302 -47.209 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 25.645 -30.033 -46.343 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 25.373 -29.497 -47.749 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 23.668 -32.428 -47.962 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 23.021 -31.853 -48.441 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 24.441 -31.840 -47.821 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 19.776 -34.298 -46.585 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 20.465 -34.448 -47.253 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 20.176 -34.618 -45.759 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 21.707 -35.360 -44.858 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 21.732 -36.334 -44.687 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 22.034 -35.270 -45.781 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 20.809 -31.237 -44.595 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 21.551 -31.845 -44.784 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 20.144 -31.442 -45.291 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 17.572 -38.874 -24.480 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 17.841 -39.784 -24.647 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 16.709 -38.790 -24.945 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 19.180 -36.714 -24.024 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 18.620 -37.484 -24.262 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 19.170 -36.709 -23.038 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 23.143 -36.917 -20.399 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 23.233 -35.977 -20.598 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 23.066 -37.343 -21.288 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 13.721 -40.325 -22.964 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 13.421 -39.428 -23.210 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 13.925 -40.749 -23.821 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 15.152 -39.073 -25.729 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 14.779 -39.985 -25.746 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 14.479 -38.554 -25.237 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 13.795 -34.465 -27.424 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 14.261 -34.778 -26.612 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 13.383 -33.618 -27.145 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 25.954 -32.080 -23.060 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 26.819 -32.010 -22.624 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 25.921 -33.011 -23.373 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 27.180 -30.973 -32.252 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 26.685 -30.588 -32.999 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 28.072 -31.072 -32.587 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 28.063 -35.005 -39.388 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 27.933 -34.669 -40.303 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 27.306 -35.581 -39.241 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 27.902 -31.060 -36.205 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 28.048 -30.430 -36.943 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 28.394 -31.845 -36.463 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 18.925 -36.798 -21.315 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 19.468 -37.008 -20.531 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 18.433 -35.987 -21.057 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 13.714 -41.386 -25.571 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 13.687 -41.767 -26.480 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 12.827 -41.590 -25.206 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 21.690 -36.092 -24.857 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 21.596 -35.372 -25.489 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 20.769 -36.288 -24.578 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 21.267 -31.080 -34.020 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 22.153 -31.249 -33.614 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 20.996 -30.207 -33.651 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 14.654 -35.082 -24.934 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 13.998 -35.311 -24.229 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 15.392 -34.691 -24.453 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 18.933 -34.164 -39.421 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 18.908 -35.089 -39.693 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 19.186 -34.201 -38.461 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 19.749 -34.015 -36.877 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 19.450 -33.470 -36.120 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 20.726 -33.968 -36.836 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 22.515 -33.832 -37.208 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 22.595 -33.931 -38.186 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 23.241 -34.361 -36.857 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 18.948 -32.214 -34.934 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 19.765 -31.851 -34.519 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 18.356 -32.384 -34.185 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 23.409 -30.196 -41.661 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 24.248 -30.711 -41.677 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 23.199 -30.053 -42.598 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 26.114 -34.763 -23.519 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 25.973 -35.511 -24.104 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 26.560 -35.146 -22.737 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 30.336 -33.563 -39.007 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 31.010 -34.243 -38.927 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 29.494 -34.068 -39.101 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 22.738 -37.739 -22.959 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 22.577 -38.561 -23.431 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 22.451 -37.040 -23.593 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 24.982 -34.860 -41.279 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 25.897 -34.527 -41.304 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 24.616 -34.614 -42.165 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 16.848 -40.472 -22.178 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 16.285 -40.090 -21.488 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 17.161 -39.705 -22.683 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 15.810 -32.599 -32.165 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 15.020 -32.069 -32.364 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 15.573 -33.086 -31.352 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 15.230 -33.857 -29.722 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 14.619 -34.250 -29.065 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 16.121 -34.114 -29.403 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 14.784 -38.370 -28.336 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 15.615 -38.227 -28.804 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 15.060 -38.649 -27.433 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 20.290 -32.885 -25.177 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 21.021 -32.675 -24.580 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 19.723 -32.088 -25.147 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 26.512 -32.597 -19.380 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 26.413 -33.554 -19.195 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 27.083 -32.565 -20.183 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 28.265 -32.809 -21.440 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 28.136 -33.745 -21.677 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 29.155 -32.789 -21.021 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 16.138 -30.927 -25.155 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 16.012 -30.009 -25.480 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 16.003 -31.481 -25.951 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 18.860 -30.561 -24.647 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 18.847 -29.626 -24.948 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 17.915 -30.826 -24.653 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 17.690 -34.213 -28.505 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 17.990 -34.576 -27.636 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 18.483 -34.228 -29.052 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 18.863 -34.984 -26.172 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 18.867 -35.626 -25.434 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 19.372 -34.217 -25.822 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 17.414 -31.884 -39.146 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 16.649 -32.289 -38.719 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 17.977 -32.647 -39.401 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 26.775 -37.416 -12.987 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 27.245 -37.445 -12.119 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 26.105 -38.140 -12.916 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 24.077 -38.455 -7.842 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 24.161 -37.940 -8.650 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 24.760 -38.094 -7.253 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 27.184 -33.457 -11.749 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 26.595 -33.557 -10.978 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 27.997 -33.942 -11.493 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 14.786 -44.450 -16.235 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 15.345 -43.748 -15.841 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 14.080 -43.960 -16.690 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 16.818 -40.230 -12.438 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 16.572 -39.930 -13.325 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 16.054 -39.961 -11.872 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 20.953 -42.174 -14.657 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 19.987 -42.336 -14.512 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 21.340 -43.054 -14.654 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 23.092 -34.440 -14.355 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 23.245 -34.946 -15.158 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 23.753 -34.787 -13.722 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 17.403 -42.793 -11.600 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 17.152 -41.861 -11.780 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 17.848 -42.755 -10.722 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 27.173 -36.038 -6.931 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 26.605 -36.588 -6.358 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 28.078 -36.177 -6.575 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 25.181 -35.165 -12.725 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 25.917 -34.523 -12.750 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 25.618 -36.033 -12.857 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 29.106 -32.549 -1.476 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 29.053 -33.493 -1.235 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 28.348 -32.419 -2.104 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 22.541 -40.400 -13.205 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 22.142 -41.030 -13.835 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 21.808 -40.172 -12.604 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 24.992 -34.222 -10.140 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 24.183 -34.542 -9.675 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 24.924 -34.623 -11.032 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 19.141 -41.462 -4.729 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 19.480 -41.795 -5.593 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 18.216 -41.177 -4.923 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 16.049 -42.057 -15.638 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 15.864 -41.183 -15.261 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 16.082 -41.897 -16.608 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 29.488 -35.269 -1.268 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 29.338 -35.845 -2.053 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 30.434 -34.999 -1.342 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 25.242 -33.391 -16.358 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 24.819 -33.713 -17.162 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 26.088 -33.866 -16.325 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 18.742 -42.300 -9.178 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 19.244 -41.463 -9.277 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 19.117 -42.704 -8.382 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 18.374 -42.860 -14.250 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 18.059 -42.967 -13.330 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 17.560 -42.693 -14.763 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 23.589 -39.357 -4.170 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 22.752 -39.647 -3.731 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 24.275 -39.501 -3.492 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 20.578 -42.382 -6.878 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 21.264 -42.944 -6.500 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 21.071 -41.622 -7.249 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 13.550 -45.408 -14.011 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 13.997 -45.267 -14.870 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 14.258 -45.249 -13.349 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 14.818 -43.680 -19.375 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 14.993 -43.488 -20.327 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 15.225 -44.564 -19.229 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 28.762 -38.368 0.104 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 29.234 -37.571 0.397 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 27.844 -38.055 -0.067 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 15.929 -45.963 -18.248 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 15.539 -45.542 -17.453 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 16.691 -46.440 -17.913 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 16.063 -41.456 -18.332 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 15.766 -42.341 -18.639 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 15.639 -40.837 -18.964 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 20.072 -39.699 -12.105 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 20.232 -38.980 -12.763 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 19.252 -40.121 -12.406 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 20.871 -40.096 -16.490 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 19.919 -40.186 -16.724 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 21.031 -40.834 -15.868 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 26.195 -39.167 -2.909 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 27.104 -39.479 -2.716 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 26.284 -38.684 -3.746 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 24.988 -39.388 -12.547 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 25.176 -40.040 -11.865 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 24.101 -39.650 -12.891 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 21.254 -40.302 -3.118 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 20.506 -40.801 -3.497 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 20.906 -39.954 -2.269 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 26.345 -35.925 -3.349 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 27.284 -36.201 -3.288 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 26.329 -35.040 -2.936 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 27.790 -34.844 -16.350 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 28.288 -35.629 -16.687 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 27.894 -34.902 -15.372 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 25.491 -37.629 -5.304 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 24.732 -38.159 -4.981 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 25.619 -36.940 -4.607 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 14.466 -40.227 -20.277 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 14.196 -40.217 -21.220 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 13.618 -40.194 -19.789 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 26.547 -37.932 -16.220 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 26.291 -38.069 -15.298 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 25.701 -37.800 -16.688 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 20.352 -40.061 -9.384 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 20.363 -40.076 -10.363 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 20.507 -39.126 -9.166 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 28.815 -37.128 -17.426 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 29.459 -37.841 -17.445 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 28.012 -37.537 -17.021 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 24.332 -37.038 -17.832 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 24.021 -37.158 -18.753 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 23.532 -37.222 -17.288 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 21.861 -37.604 -16.766 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 21.632 -38.547 -16.582 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 21.308 -37.374 -17.539 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 15.284 -42.768 -21.905 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 14.573 -42.236 -22.285 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 16.082 -42.216 -22.026 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 30.475 -33.758 -6.091 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 30.838 -32.925 -6.446 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 30.544 -33.646 -5.116 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 26.322 -35.287 -18.672 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 25.630 -35.924 -18.390 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 26.942 -35.262 -17.916 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 27.426 -35.554 -21.206 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 26.934 -35.462 -20.363 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 28.121 -36.191 -21.004 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 17.769 -37.927 -4.975 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 18.572 -38.229 -5.453 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 17.127 -37.718 -5.694 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 20.682 -37.555 -19.281 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 20.626 -38.521 -19.297 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 21.534 -37.355 -19.727 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 28.539 -35.406 -13.786 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 28.921 -35.200 -12.908 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 28.008 -36.216 -13.631 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 28.883 -36.955 -3.337 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 29.221 -36.845 -4.255 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 28.982 -37.914 -3.155 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 17.927 -43.859 -3.815 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 17.032 -43.665 -4.149 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 18.477 -43.139 -4.174 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 18.226 -40.324 -16.934 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 17.619 -40.068 -16.223 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 17.654 -40.776 -17.586 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 20.067 -39.118 -5.892 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 19.756 -39.817 -5.291 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 20.848 -39.511 -6.329 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 20.754 -39.188 -0.643 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 20.124 -38.945 0.069 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 20.989 -38.330 -1.054 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 22.486 -40.264 -6.569 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 22.954 -40.121 -5.721 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 23.012 -39.745 -7.219 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 26.244 -37.579 -0.622 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 25.323 -37.580 -0.279 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 26.174 -38.029 -1.491 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 17.474 -43.453 -1.196 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 16.678 -44.005 -1.100 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 17.834 -43.707 -2.077 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 34.067 -35.068 -6.258 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 33.741 -34.245 -6.683 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 34.559 -34.757 -5.490 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 30.917 -33.095 -3.471 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 31.567 -33.517 -2.881 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 30.178 -32.853 -2.875 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 31.894 -34.040 -1.010 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 31.664 -33.110 -0.810 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 32.746 -34.176 -0.537 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 28.002 -37.176 -10.604 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 28.141 -37.405 -9.678 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 28.589 -36.408 -10.751 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 30.968 -30.339 -2.647 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 31.322 -30.764 -1.838 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 31.053 -31.025 -3.331 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 15.401 -45.184 -2.091 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 15.034 -45.808 -1.424 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 16.017 -45.724 -2.603 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 15.859 -44.869 -12.619 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 16.501 -45.563 -12.452 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 16.269 -44.066 -12.234 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 14.510 -39.474 -11.204 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 13.561 -39.441 -11.406 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 14.584 -39.063 -10.311 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 30.172 -33.226 -14.629 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 29.812 -34.121 -14.506 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 30.204 -33.110 -15.596 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 29.427 -32.867 -17.344 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 28.921 -32.027 -17.350 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 28.765 -33.541 -17.088 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 28.244 -31.913 6.923 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 27.666 -32.690 6.831 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 28.901 -32.019 6.206 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 23.014 -39.581 1.801 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 22.556 -40.424 1.644 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 22.930 -39.438 2.768 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 16.546 -39.506 3.264 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 16.619 -39.785 2.320 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 16.453 -40.333 3.747 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 26.894 -31.432 4.110 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 26.584 -32.048 4.793 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 27.866 -31.461 4.187 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 26.094 -33.509 5.919 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 25.544 -34.111 6.472 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 26.400 -34.085 5.181 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 23.620 -37.485 0.218 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 23.381 -38.298 0.733 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 22.895 -37.391 -0.430 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 21.653 -41.574 0.261 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 21.343 -40.684 -0.028 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 22.267 -41.843 -0.428 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 26.609 -35.416 3.999 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 27.143 -36.228 3.819 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 25.894 -35.453 3.329 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 24.680 -35.528 7.056 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 24.257 -35.272 7.916 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 25.222 -36.292 7.281 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 17.156 -36.906 3.694 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 16.359 -36.592 4.134 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 16.979 -37.865 3.533 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 32.147 -31.276 -0.372 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 32.605 -30.447 -0.629 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 32.502 -31.475 0.520 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 23.817 -34.931 9.539 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 23.511 -34.005 9.657 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 23.970 -35.250 10.456 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 28.043 -37.393 2.855 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 28.776 -36.946 2.388 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 27.950 -38.237 2.395 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 14.648 -47.140 -0.273 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 15.182 -47.690 0.312 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 13.739 -47.344 -0.028 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 18.944 -36.489 -0.484 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 18.558 -37.039 -1.200 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 18.925 -37.076 0.299 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 24.730 -35.778 2.064 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 24.192 -36.431 1.560 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 25.442 -35.525 1.434 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 28.954 -34.178 3.221 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 29.297 -34.758 2.514 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 28.104 -34.585 3.471 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 23.134 -38.963 4.459 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 23.920 -39.315 4.882 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 23.214 -37.993 4.567 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 16.921 -40.842 -1.930 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 16.799 -40.892 -2.900 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 17.098 -41.769 -1.663 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 24.412 -35.648 12.128 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 25.183 -35.207 12.497 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 24.073 -36.183 12.852 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 23.528 -36.243 4.597 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 23.992 -35.969 3.778 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 24.068 -35.860 5.322 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 26.314 -34.894 0.013 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 26.510 -35.779 -0.366 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 26.474 -34.270 -0.738 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 31.338 -28.386 1.099 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 30.896 -27.576 0.763 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 31.951 -28.640 0.377 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 29.815 -35.949 1.273 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 30.758 -35.723 1.282 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 29.487 -35.573 0.419 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 17.119 -40.281 0.752 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 17.789 -41.003 0.855 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 16.869 -40.326 -0.194 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 19.648 -34.190 0.744 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 19.596 -34.512 1.667 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 19.375 -34.972 0.205 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 21.077 -35.328 5.351 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 20.876 -35.884 6.114 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 21.906 -35.714 4.983 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 19.033 -38.435 1.416 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 18.308 -39.056 1.184 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 19.096 -38.494 2.376 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 19.011 -42.158 0.766 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 18.671 -42.778 0.092 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 19.979 -42.144 0.617 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 17.971 -38.322 -2.263 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 17.594 -39.207 -2.079 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 17.961 -38.256 -3.240 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 29.604 -31.894 4.532 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 29.527 -32.765 4.067 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 30.254 -31.391 3.989 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 17.294 -33.169 3.127 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 17.405 -32.514 3.843 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 18.037 -33.799 3.260 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 33.239 -31.500 2.136 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 33.925 -30.810 2.296 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 32.481 -31.206 2.681 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 29.030 -19.205 -46.371 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 28.316 -19.244 -47.030 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 28.732 -18.508 -45.746 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 31.138 -16.578 -46.245 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 30.326 -16.156 -46.603 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 31.855 -15.932 -46.453 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 15.960 -21.091 -46.437 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 15.930 -20.607 -47.285 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 16.840 -21.524 -46.446 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 26.026 -20.215 -45.810 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 26.200 -19.490 -46.454 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 25.617 -19.763 -45.045 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 23.965 -26.204 -44.292 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 23.539 -26.666 -45.046 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 24.268 -25.351 -44.673 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 19.410 -24.804 -46.353 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 19.179 -25.114 -45.448 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 19.778 -25.595 -46.786 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 16.431 -23.110 -49.177 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 16.374 -22.142 -49.318 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 15.721 -23.301 -48.529 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 18.266 -22.517 -47.111 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 18.743 -23.368 -46.947 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 17.819 -22.661 -47.967 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 26.708 -18.411 -47.682 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 27.170 -18.248 -48.537 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 26.453 -17.515 -47.375 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 33.133 -14.917 -47.032 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 33.621 -14.098 -46.925 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 33.769 -15.520 -47.482 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 25.722 -27.406 -47.326 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 25.717 -27.779 -46.425 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 26.340 -26.649 -47.266 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 22.990 -29.464 -44.537 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 22.966 -28.753 -45.223 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 22.062 -29.769 -44.480 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 28.840 -15.393 -47.257 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 28.674 -15.116 -48.178 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 27.956 -15.652 -46.927 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 28.248 -17.645 -49.754 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 29.192 -17.715 -49.923 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 28.063 -16.684 -49.814 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 30.044 -16.851 -42.413 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 30.479 -17.475 -43.019 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 29.828 -16.088 -42.972 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 27.812 -14.900 -49.832 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 26.937 -14.459 -49.698 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 28.213 -14.408 -50.554 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 16.706 -20.343 -49.004 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 16.536 -19.600 -49.623 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 17.552 -20.104 -48.573 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 15.831 -19.900 -43.978 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 15.779 -20.322 -44.865 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 15.758 -20.653 -43.352 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 18.820 -17.397 -42.922 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 18.644 -17.185 -41.981 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 18.829 -18.381 -42.945 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 19.660 -17.386 -45.529 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 19.317 -17.421 -44.612 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 20.155 -16.549 -45.565 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 28.605 -29.058 -43.177 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 28.045 -29.025 -43.962 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 28.673 -28.123 -42.893 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 25.737 -31.418 -41.086 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 26.675 -31.407 -41.361 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 25.738 -30.976 -40.212 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 16.624 -27.704 -50.686 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 16.717 -28.282 -49.898 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 16.562 -28.316 -51.421 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 26.519 -22.557 -47.019 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 26.242 -21.693 -46.615 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 26.530 -22.379 -47.968 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 16.513 -26.593 -47.031 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 16.527 -25.877 -46.360 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 17.003 -26.212 -47.797 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 20.322 -26.520 -49.652 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 19.469 -26.083 -49.828 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 20.269 -26.766 -48.709 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 16.941 -29.059 -48.289 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 16.746 -28.239 -47.788 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 16.586 -29.774 -47.723 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 22.987 -27.559 -46.452 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 22.127 -27.474 -46.910 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 23.645 -27.529 -47.175 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 24.969 -23.787 -45.031 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 24.585 -22.942 -44.702 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 25.494 -23.519 -45.809 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 20.217 -27.399 -47.063 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 20.034 -28.280 -47.462 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 19.947 -27.505 -46.112 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 21.385 -18.854 -49.419 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 21.623 -19.014 -50.333 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 20.905 -18.000 -49.441 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 30.984 -18.689 -44.405 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 31.302 -17.920 -44.922 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 30.373 -19.144 -45.014 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 18.397 -20.124 -42.978 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 18.676 -20.853 -43.576 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 17.491 -19.904 -43.279 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 31.106 -23.460 -42.806 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 32.057 -23.319 -42.877 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 30.734 -22.549 -42.731 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 27.795 -19.986 -43.176 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 26.912 -19.547 -43.222 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 27.764 -20.663 -43.891 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 16.325 -17.961 -50.330 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 16.809 -17.122 -50.234 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 16.057 -17.977 -51.277 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 18.701 -19.279 -47.249 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 19.128 -18.588 -46.686 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 19.350 -19.995 -47.275 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 17.575 -15.686 -49.065 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 17.295 -16.276 -48.331 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 17.231 -14.822 -48.816 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 26.642 -14.503 -42.790 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 26.156 -15.205 -43.278 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 27.508 -14.451 -43.251 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 22.733 -27.833 -49.368 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 21.882 -27.387 -49.581 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 23.359 -27.455 -49.992 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 25.620 -28.546 -44.797 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 24.791 -29.015 -44.574 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 25.517 -27.676 -44.372 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 27.839 -22.333 -44.496 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 28.380 -23.146 -44.549 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 27.509 -22.209 -45.402 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 34.942 -16.559 -48.250 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 35.666 -16.686 -48.868 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 34.643 -17.475 -48.039 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 18.797 -31.780 -46.398 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 17.831 -31.685 -46.270 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 18.932 -32.748 -46.531 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 15.729 -17.891 -53.023 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 14.900 -18.038 -53.489 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 16.380 -17.775 -53.723 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 24.975 -20.268 -41.078 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 25.038 -19.687 -41.863 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 25.643 -20.958 -41.241 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 16.982 -24.681 -42.079 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 16.634 -25.508 -41.688 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 17.766 -24.977 -42.604 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 26.821 -22.379 -41.754 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 26.607 -23.300 -42.029 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 27.130 -21.954 -42.579 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 25.577 -29.980 -38.704 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 26.541 -29.794 -38.666 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 25.240 -29.648 -37.847 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 34.146 -19.095 -47.749 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 34.307 -19.818 -47.141 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 33.165 -19.078 -47.848 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 30.351 -20.790 -42.602 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 29.418 -20.497 -42.710 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 30.866 -20.104 -43.075 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 31.434 -18.901 -47.693 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 30.598 -19.296 -47.386 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 31.436 -18.011 -47.285 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 27.990 -17.522 -44.508 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 27.018 -17.413 -44.399 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 28.245 -18.114 -43.773 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 19.131 -22.270 -44.448 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 18.883 -22.385 -45.388 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 19.201 -23.180 -44.106 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 29.319 -24.672 -44.621 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 29.038 -25.408 -44.036 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 30.074 -24.271 -44.148 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 28.490 -26.314 -42.577 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 28.910 -25.902 -41.797 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 27.601 -25.892 -42.620 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 26.182 -24.863 -42.732 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 25.870 -24.570 -43.615 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 25.375 -25.223 -42.303 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 27.387 -25.246 -46.614 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 27.143 -24.334 -46.849 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 28.168 -25.142 -46.035 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 16.190 -27.057 -40.878 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 16.847 -27.785 -40.812 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 15.339 -27.522 -40.999 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 16.398 -24.726 -44.981 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 15.881 -24.488 -44.194 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 17.254 -25.060 -44.612 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 13.707 -26.091 -46.434 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 13.741 -25.165 -46.742 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 14.484 -26.505 -46.851 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 14.276 -29.113 -40.811 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 13.562 -29.353 -40.179 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 15.063 -29.553 -40.461 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 24.576 -13.942 -39.210 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 25.351 -14.513 -39.342 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 24.527 -13.415 -40.033 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 22.562 -10.037 -40.672 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 21.583 -10.061 -40.775 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 22.898 -10.445 -41.495 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 28.887 -14.984 -44.307 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 28.599 -15.909 -44.475 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 29.214 -14.679 -45.167 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 20.883 -14.842 -44.954 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 21.048 -14.816 -43.982 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 20.171 -14.182 -45.089 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 16.530 -17.639 -47.488 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 17.298 -18.232 -47.320 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 16.177 -17.943 -48.346 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 23.649 -14.825 -45.520 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 24.140 -15.400 -44.898 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 22.713 -15.059 -45.378 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 22.086 -30.507 -48.992 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 22.450 -29.611 -49.147 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 21.145 -30.345 -48.780 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 19.578 -29.831 -48.111 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 19.405 -30.576 -47.494 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 18.686 -29.561 -48.414 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 17.642 -25.575 -49.331 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 17.219 -24.700 -49.472 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 17.203 -26.166 -49.984 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 19.171 -29.821 -42.931 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 19.760 -30.475 -43.358 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 19.245 -29.027 -43.506 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 27.634 -34.067 -41.894 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 27.891 -33.117 -41.887 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 27.621 -34.301 -42.829 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 27.113 -15.094 -40.098 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 27.974 -15.526 -40.188 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 26.862 -14.870 -41.018 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 18.025 -21.861 -23.562 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 18.649 -22.610 -23.586 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 17.835 -21.740 -22.607 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 17.338 -19.050 -27.419 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 17.451 -19.293 -26.473 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 16.789 -18.241 -27.392 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 18.716 -27.516 -31.380 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 17.943 -27.529 -31.990 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 18.778 -26.594 -31.097 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 18.547 -27.965 -25.478 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 18.937 -27.696 -26.339 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 17.593 -28.072 -25.675 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 21.616 -20.760 -22.922 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 21.104 -21.548 -23.152 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 21.354 -20.099 -23.593 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 19.166 -24.775 -28.979 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 18.352 -24.248 -28.859 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 19.873 -24.217 -28.575 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 17.746 -19.489 -24.741 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 18.358 -19.147 -24.065 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 17.679 -20.453 -24.532 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 23.228 -23.845 -35.286 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 22.491 -23.926 -35.930 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 23.888 -23.270 -35.747 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 17.803 -21.252 -29.246 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 17.333 -22.068 -28.994 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 17.477 -20.582 -28.615 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 21.787 -23.053 -25.088 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 22.623 -22.989 -24.579 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 21.139 -23.397 -24.439 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 19.321 -18.075 -22.854 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 18.883 -17.271 -23.172 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 20.060 -18.213 -23.484 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 24.899 -22.543 -36.978 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 24.448 -21.826 -37.480 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 25.686 -22.744 -37.513 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 18.083 -21.436 -20.863 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 18.268 -20.521 -20.575 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 18.888 -21.932 -20.628 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 16.227 -16.456 -27.134 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 15.828 -15.685 -27.552 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 15.578 -16.705 -26.427 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 20.322 -21.159 -33.030 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 20.537 -22.106 -32.904 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 20.095 -20.839 -32.131 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 23.341 -14.386 -36.851 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 23.708 -14.162 -37.741 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 23.507 -13.581 -36.319 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 26.515 -12.515 -36.994 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 27.231 -12.306 -36.388 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 26.561 -13.498 -37.090 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 26.949 -15.149 -37.317 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 26.285 -15.853 -37.143 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 27.087 -15.187 -38.282 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 15.960 -28.461 -26.299 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 16.055 -28.737 -27.238 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 15.336 -27.724 -26.334 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 26.858 -23.165 -38.944 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 26.491 -22.927 -39.815 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 27.738 -22.746 -38.937 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 21.011 -23.232 -27.709 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 21.312 -23.248 -26.772 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 21.292 -22.373 -28.032 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 21.096 -23.831 -33.436 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 21.916 -23.554 -33.892 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 21.142 -24.802 -33.443 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 24.141 -26.316 -36.036 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 23.964 -25.430 -35.653 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 24.835 -26.148 -36.711 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 15.061 -24.304 -36.376 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 15.258 -23.351 -36.506 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 15.467 -24.736 -37.158 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 15.225 -25.216 -33.739 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 15.344 -24.863 -34.646 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 16.005 -25.780 -33.595 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 21.127 -24.385 -36.929 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 21.071 -24.062 -37.840 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 20.332 -24.008 -36.494 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 18.627 -26.270 -35.827 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 19.289 -26.938 -36.099 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 17.778 -26.750 -35.870 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 18.570 -18.717 -20.271 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 18.967 -18.561 -21.157 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 17.802 -18.109 -20.249 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 16.626 -27.582 -33.151 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 15.708 -27.925 -33.101 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 16.926 -27.843 -34.047 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 18.217 -21.012 -36.141 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 18.514 -21.880 -35.786 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 18.760 -20.359 -35.661 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 24.273 -29.037 -36.460 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 23.485 -29.489 -36.102 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 24.140 -28.089 -36.223 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 25.894 -25.634 -38.101 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 26.562 -26.204 -38.514 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 26.177 -24.725 -38.338 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 16.592 -23.794 -28.367 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 16.391 -24.723 -28.616 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 15.878 -23.552 -27.767 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 21.579 -19.046 -36.883 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 21.644 -18.067 -36.815 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 21.138 -19.309 -36.055 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 20.403 -23.284 -20.390 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 20.388 -23.836 -19.584 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 21.355 -23.131 -20.554 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 19.509 -19.776 -30.807 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 19.598 -19.076 -30.123 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 18.878 -20.420 -30.408 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 15.932 -21.882 -37.308 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 16.661 -21.445 -36.809 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 16.357 -22.161 -38.152 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 19.789 -19.153 -34.736 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 20.027 -19.917 -34.153 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 19.641 -18.418 -34.111 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 19.240 -17.500 -32.460 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 19.352 -18.390 -32.057 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 18.965 -16.944 -31.721 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 23.651 -21.047 -38.816 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 22.686 -21.102 -38.961 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 24.014 -20.765 -39.684 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 25.881 -30.304 -34.601 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 26.633 -30.656 -35.135 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 25.394 -29.734 -35.227 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 21.436 -16.326 -36.715 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 20.862 -16.108 -35.943 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 22.100 -15.601 -36.730 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 21.578 -26.406 -34.583 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 21.147 -26.024 -35.369 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 22.519 -26.460 -34.833 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 23.839 -31.508 -33.198 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 24.290 -31.856 -32.420 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 24.551 -31.067 -33.708 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 19.769 -15.790 -34.652 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 19.542 -16.254 -33.823 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 19.040 -15.147 -34.778 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 20.093 -28.591 -36.214 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 19.425 -29.240 -36.518 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 20.156 -28.745 -35.251 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 16.096 -25.201 -38.838 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 16.237 -25.800 -39.601 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 16.425 -24.333 -39.153 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 16.134 -29.416 -28.896 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 16.433 -29.587 -29.799 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 16.121 -30.303 -28.477 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 10.636 -15.555 -24.022 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 11.183 -16.356 -24.259 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 9.983 -15.503 -24.735 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 15.395 -14.122 -21.741 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 15.834 -14.907 -21.375 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 14.680 -14.489 -22.307 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 24.725 -16.722 -37.189 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 24.180 -15.955 -36.922 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 24.156 -17.215 -37.806 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 23.031 -18.134 -39.023 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 22.585 -18.622 -38.295 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 23.688 -18.762 -39.361 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 23.637 -19.202 -22.006 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 22.963 -19.897 -22.199 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 23.468 -18.524 -22.670 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 20.988 -21.858 -38.771 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 20.643 -21.220 -38.128 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 20.336 -21.835 -39.507 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 19.063 -23.521 -35.361 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 19.582 -23.530 -34.531 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 18.756 -24.450 -35.462 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 19.998 -23.749 -23.099 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 20.089 -23.658 -22.126 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 19.704 -24.681 -23.224 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 25.889 -18.860 -20.475 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 25.977 -17.910 -20.583 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 25.125 -19.099 -21.044 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 29.140 -22.089 -40.299 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 29.745 -21.451 -40.717 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 28.323 -22.030 -40.838 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 19.172 -26.380 -23.261 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 18.992 -26.926 -24.058 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 18.382 -26.513 -22.695 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 18.991 -27.312 -28.174 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 19.184 -27.806 -28.984 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 19.210 -26.375 -28.406 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 17.183 -26.648 -21.338 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 16.754 -27.527 -21.470 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 16.434 -26.030 -21.250 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 21.352 -30.505 -23.430 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 20.443 -30.592 -23.779 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 21.394 -29.598 -23.104 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 20.825 -24.948 -18.123 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 20.797 -25.264 -17.211 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 20.366 -25.650 -18.633 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 24.420 -28.123 -19.514 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 24.168 -27.816 -20.393 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 24.421 -29.101 -19.590 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 23.769 -30.785 -22.080 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 24.495 -31.202 -22.603 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 22.988 -30.838 -22.668 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 21.177 -27.058 -21.490 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 20.595 -26.837 -22.245 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 21.991 -26.532 -21.653 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 29.789 -24.775 -40.657 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 29.535 -23.887 -40.327 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 30.392 -24.582 -41.403 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 28.586 -26.677 -38.851 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 28.797 -26.216 -38.032 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 29.025 -26.145 -39.545 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 16.319 -26.588 -28.670 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 17.241 -26.736 -28.379 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 16.029 -27.461 -28.985 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 16.440 -17.328 -23.604 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 16.745 -18.155 -24.026 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 15.689 -17.037 -24.169 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 21.163 -18.742 -24.784 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 20.957 -19.245 -25.584 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 21.373 -17.833 -25.120 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 8.189 -15.739 -26.427 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 7.984 -15.092 -27.148 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 8.679 -16.454 -26.891 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 17.036 -12.400 -24.163 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 16.171 -12.635 -24.559 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 16.922 -12.596 -23.219 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 19.280 -17.818 -28.903 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 19.360 -17.012 -28.358 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 18.617 -18.362 -28.426 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 21.365 -16.274 -25.815 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 20.494 -16.197 -26.265 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 21.730 -15.384 -25.858 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 16.117 -31.989 -27.748 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 15.427 -32.374 -28.314 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 16.858 -32.624 -27.816 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 16.672 -28.301 -35.806 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 17.208 -29.031 -36.190 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 15.746 -28.559 -36.002 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 20.345 -28.591 -33.433 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 19.793 -28.332 -32.664 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 20.806 -27.759 -33.688 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 28.225 -29.439 -38.392 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 28.908 -30.001 -38.822 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 28.439 -28.529 -38.692 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 18.130 -30.381 -36.864 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 18.370 -31.111 -36.251 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 17.958 -30.830 -37.715 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 22.372 -31.156 -36.543 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 22.418 -32.116 -36.732 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 21.892 -31.106 -35.688 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 24.415 -30.859 -19.493 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 25.173 -31.488 -19.467 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 24.145 -30.849 -20.448 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 20.521 -23.343 -11.617 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 21.338 -23.483 -12.139 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 20.791 -23.550 -10.699 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 22.295 -22.463 -7.633 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 21.818 -22.973 -8.312 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 22.196 -21.532 -7.918 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 21.775 -19.759 -8.085 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 22.442 -19.374 -7.485 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 20.929 -19.536 -7.670 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 29.433 -34.071 -8.644 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 28.472 -33.968 -8.497 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 29.818 -34.032 -7.746 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 26.423 -28.034 -7.209 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 26.658 -28.556 -8.011 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 25.727 -28.553 -6.787 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 24.465 -27.944 -16.819 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 24.409 -27.894 -17.807 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 25.315 -27.488 -16.606 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 31.591 -28.150 -4.929 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 30.870 -28.007 -5.565 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 31.166 -28.019 -4.060 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 20.920 -18.984 -15.209 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 21.005 -18.730 -16.139 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 20.600 -19.918 -15.243 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 22.680 -21.187 -3.972 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 23.336 -20.458 -3.988 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 23.130 -21.924 -4.443 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 26.916 -29.600 -9.441 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 26.138 -29.538 -10.014 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 27.679 -29.612 -10.072 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 20.925 -17.367 -9.557 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 21.310 -18.260 -9.499 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 21.151 -17.068 -10.466 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 28.157 -31.144 -7.521 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 27.756 -30.564 -8.199 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 27.789 -32.028 -7.717 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 22.884 -22.072 -14.799 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 23.095 -21.132 -14.841 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 22.853 -22.355 -15.748 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 23.973 -22.890 -23.388 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 24.753 -22.327 -23.422 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 23.585 -22.710 -22.507 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 27.663 -25.677 -11.258 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 27.494 -26.314 -11.988 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 28.481 -25.243 -11.508 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 21.411 -16.717 -12.196 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 20.661 -17.278 -12.504 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 22.114 -16.899 -12.829 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 21.597 -22.314 -1.746 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 22.098 -21.829 -2.444 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 22.185 -22.295 -0.977 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 20.379 -19.329 -18.245 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 19.786 -18.975 -18.946 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 19.860 -20.027 -17.827 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 20.189 -22.582 -4.091 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 20.907 -22.175 -4.614 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 20.590 -22.709 -3.204 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 30.519 -33.138 -19.885 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 31.466 -33.253 -19.766 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 30.173 -33.033 -18.973 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 12.190 -17.774 -6.451 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 12.818 -17.299 -5.865 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 11.325 -17.364 -6.251 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 28.856 -27.818 -5.788 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 28.060 -27.828 -6.352 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 28.907 -28.729 -5.431 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 18.615 -17.255 -8.110 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 18.967 -17.715 -7.327 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 19.338 -17.324 -8.771 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 22.787 -32.305 -17.891 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 23.317 -31.738 -18.495 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 21.931 -32.376 -18.323 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 22.967 -23.891 -12.750 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 23.909 -23.943 -12.540 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 22.930 -23.295 -13.537 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 26.056 -23.908 -4.182 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 25.918 -24.733 -4.697 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 25.263 -23.373 -4.388 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 24.805 -28.323 -11.596 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 23.989 -27.825 -11.844 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 25.156 -27.821 -10.820 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 19.352 -26.915 -19.483 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 20.083 -27.104 -20.119 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 18.577 -26.756 -20.056 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 22.802 -26.654 -12.325 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 22.692 -26.884 -13.276 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 22.727 -25.682 -12.308 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 26.797 -33.626 -8.171 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 26.823 -34.449 -7.626 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 26.105 -33.808 -8.843 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 18.775 -24.206 -5.818 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 19.212 -23.470 -5.351 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 19.376 -24.966 -5.677 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 23.232 -25.339 -21.998 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 23.633 -25.004 -22.813 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 23.226 -24.568 -21.403 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 24.720 -19.334 -4.000 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 25.291 -20.027 -3.592 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 25.047 -18.494 -3.606 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 25.471 -23.127 -19.365 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 26.053 -22.335 -19.264 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 25.854 -23.777 -18.768 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 22.588 -22.643 -17.414 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 22.179 -23.405 -17.858 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 22.736 -21.997 -18.130 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 23.664 -23.269 -5.444 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 23.933 -24.187 -5.639 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 23.197 -22.978 -6.264 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 19.373 -18.269 -13.085 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 19.854 -18.503 -13.910 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 19.284 -19.128 -12.609 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 21.337 -16.074 -7.103 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 21.336 -16.271 -8.062 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 20.919 -16.856 -6.702 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 15.907 -14.201 -12.263 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 16.565 -14.914 -12.431 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 16.453 -13.397 -12.161 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 22.922 -18.440 -5.884 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 23.608 -18.813 -5.283 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 23.184 -17.515 -5.997 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 16.309 -17.010 -20.899 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 16.433 -17.114 -21.871 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 15.408 -17.311 -20.743 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 27.582 -30.817 -17.567 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 27.630 -30.069 -18.177 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 27.068 -31.496 -18.061 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 22.626 -20.508 -19.319 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 23.112 -19.815 -19.792 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 21.851 -20.038 -18.937 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 22.624 -27.067 -14.964 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 23.159 -27.261 -15.761 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 21.710 -27.000 -15.300 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 24.965 -25.844 -5.856 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 24.099 -26.240 -6.117 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 25.623 -26.424 -6.275 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 19.196 -20.820 -12.107 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 19.677 -21.650 -11.924 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 18.336 -21.112 -12.436 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 28.982 -30.451 -5.059 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 28.486 -31.003 -4.398 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 28.622 -30.747 -5.928 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 13.604 -16.452 -4.467 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 13.740 -17.179 -3.850 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 13.659 -15.648 -3.903 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 18.482 -20.712 -3.021 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 19.079 -21.357 -3.452 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 18.901 -20.533 -2.171 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 21.280 -25.060 -1.942 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 21.336 -24.098 -1.789 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 22.218 -25.363 -1.885 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 27.043 -20.921 -19.135 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 26.591 -20.173 -19.589 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 27.903 -20.567 -18.899 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 14.712 -26.542 -4.199 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 14.277 -26.682 -3.348 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 15.670 -26.607 -3.992 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 23.157 -22.808 -20.704 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 22.899 -21.929 -20.347 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 24.002 -23.019 -20.228 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 25.971 -21.432 -2.761 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 26.006 -21.742 -1.850 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 26.254 -22.200 -3.285 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 26.767 -25.556 -2.083 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 27.723 -25.467 -2.217 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 26.381 -24.897 -2.693 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 25.625 -16.993 -2.898 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 26.012 -16.206 -3.295 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 25.799 -16.894 -1.955 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 16.716 -29.031 -1.890 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 16.851 -28.191 -2.377 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 15.754 -29.032 -1.675 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 22.680 -27.040 -6.757 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 21.916 -26.749 -6.218 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 22.325 -27.777 -7.297 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 15.382 -30.679 -4.016 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 15.240 -31.562 -3.625 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 15.873 -30.194 -3.333 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 28.905 -24.487 -3.708 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 29.145 -25.078 -4.438 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 28.102 -24.034 -4.022 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 26.840 -27.094 -15.876 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 27.272 -27.962 -15.746 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 26.928 -26.657 -15.016 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 28.909 -29.764 -11.272 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 29.737 -29.347 -11.529 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 28.766 -30.454 -11.956 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 25.739 -26.728 -9.626 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 26.434 -26.216 -10.097 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 26.081 -26.819 -8.724 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 27.066 -27.589 -13.130 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 27.375 -28.350 -13.662 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 26.300 -27.939 -12.635 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 15.865 -13.095 -1.529 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 16.253 -12.424 -2.136 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 15.374 -12.561 -0.869 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 20.185 -18.403 -6.051 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 21.141 -18.524 -5.838 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 19.724 -18.799 -5.300 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 16.338 -11.369 -5.854 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 17.067 -10.751 -6.110 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 15.541 -10.969 -6.244 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 20.473 -12.861 -9.734 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 21.161 -12.529 -9.128 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 19.772 -12.182 -9.693 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 32.050 -35.792 -11.128 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 32.717 -36.106 -11.743 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 32.565 -35.521 -10.333 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 29.494 -34.921 -11.182 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 29.511 -34.505 -10.284 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 30.424 -35.239 -11.309 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 28.502 -31.578 -13.277 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 29.206 -32.128 -13.699 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 27.925 -32.234 -12.826 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 27.708 -29.624 -15.046 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 27.626 -30.108 -15.897 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 28.009 -30.311 -14.410 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 13.492 -14.969 -23.547 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 12.528 -15.093 -23.600 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 13.852 -15.672 -24.140 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 29.423 -26.513 5.780 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 29.749 -27.409 5.549 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 29.102 -26.610 6.693 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 28.595 -28.178 7.979 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 28.797 -28.086 8.916 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 27.773 -28.717 7.962 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 24.293 -31.707 7.154 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 24.997 -32.181 6.665 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 23.460 -32.140 6.849 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 23.983 -25.373 -1.564 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 24.033 -24.785 -0.777 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 24.906 -25.641 -1.718 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 24.226 -23.864 0.675 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 24.524 -24.606 1.249 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 24.081 -23.125 1.301 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 23.894 -22.043 2.700 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 23.760 -21.142 3.007 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 23.953 -22.565 3.509 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 23.386 -27.907 3.382 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 22.483 -27.862 3.001 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 23.242 -28.191 4.304 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 25.026 -25.822 2.468 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 24.390 -26.498 2.777 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 25.830 -25.993 2.995 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 18.957 -28.452 -0.392 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 18.629 -28.188 0.486 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 18.156 -28.777 -0.858 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 16.212 -29.794 2.258 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 16.034 -29.904 3.197 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 16.838 -29.039 2.218 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 22.006 -32.826 6.163 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 21.922 -32.200 5.405 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 21.734 -33.692 5.790 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 19.975 -27.297 -2.748 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 20.538 -26.543 -2.457 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 19.744 -27.756 -1.914 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 20.880 -28.221 2.196 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 20.595 -29.135 2.411 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 21.003 -28.230 1.236 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 19.224 -35.097 3.331 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 18.611 -35.849 3.494 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 19.910 -35.191 4.029 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 28.912 -25.106 2.223 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 28.271 -25.624 2.758 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 28.575 -24.203 2.259 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 30.173 -26.202 0.035 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 30.532 -25.434 -0.456 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 29.693 -25.799 0.794 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 17.310 -26.720 -3.239 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 18.211 -27.084 -3.356 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 17.467 -25.822 -2.883 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 23.392 -29.357 5.856 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 22.713 -29.862 5.355 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 23.726 -29.998 6.510 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 19.663 -30.576 2.837 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 19.101 -30.723 3.628 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 19.128 -30.931 2.096 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 15.925 -23.486 -1.765 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 15.925 -22.674 -2.308 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 16.846 -23.814 -1.824 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 20.361 -26.425 -5.421 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 19.855 -27.039 -5.996 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 20.289 -26.820 -4.526 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 15.859 -21.273 -3.482 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 16.805 -21.041 -3.314 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 15.504 -20.494 -3.927 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 13.937 -15.703 0.040 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 14.740 -15.281 0.409 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 14.018 -16.647 0.310 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 31.112 -24.643 -2.075 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 30.373 -24.291 -2.615 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 31.236 -25.553 -2.410 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 27.274 -26.498 4.029 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 26.726 -27.182 4.478 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 28.018 -26.350 4.650 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 25.752 -29.112 2.604 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 26.137 -29.089 3.503 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 24.867 -28.701 2.717 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 19.381 -32.489 6.906 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 20.354 -32.528 6.781 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 19.224 -33.017 7.695 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 23.211 -32.270 9.639 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 23.650 -31.990 8.812 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 22.748 -31.485 9.940 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 29.802 -29.214 5.634 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 29.448 -29.028 6.527 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 29.606 -30.156 5.492 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 25.979 -28.534 5.349 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 26.385 -28.965 6.125 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 25.019 -28.670 5.480 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 18.005 -31.150 5.012 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 17.519 -30.533 5.571 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 18.538 -31.685 5.652 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 17.886 -31.571 1.026 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 17.637 -32.322 1.610 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 17.178 -30.913 1.174 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 21.905 -30.947 4.249 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 22.707 -31.086 3.684 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 21.173 -30.825 3.606 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 26.537 -29.971 7.700 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 25.709 -30.469 7.822 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 27.211 -30.669 7.520 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 16.504 -16.934 2.028 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 16.515 -16.045 1.607 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 17.342 -16.983 2.495 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 13.765 -14.563 -2.473 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 13.646 -15.060 -1.634 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 14.581 -14.039 -2.322 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 19.853 -9.899 -40.981 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 19.151 -10.424 -41.417 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 19.409 -9.501 -40.205 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 24.146 -12.867 -47.320 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 24.009 -13.577 -46.655 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 23.676 -12.107 -46.952 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 21.940 -12.160 -45.108 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 22.051 -13.121 -45.116 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 20.983 -12.032 -44.984 1.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 24.294 -9.921 -38.591 1.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 24.996 -10.542 -38.872 1.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 23.604 -10.009 -39.286 1.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 27.493 -6.110 -38.169 1.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 27.223 -7.001 -38.467 1.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 27.922 -6.263 -37.326 1.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 23.532 -11.092 -43.134 1.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 22.989 -11.540 -43.818 1.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 23.461 -10.135 -43.366 1.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 17.785 -10.943 -42.569 1.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 17.349 -10.237 -42.045 1.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 17.097 -11.646 -42.642 1.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 26.661 -8.547 -39.206 1.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 26.939 -9.456 -39.448 1.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 25.737 -8.659 -38.906 1.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 24.450 -6.960 -41.889 1.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 25.275 -6.498 -41.615 1.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 24.766 -7.758 -42.331 1.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 15.942 -17.148 -44.834 1.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 16.088 -17.269 -45.796 1.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 15.909 -18.058 -44.482 1.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 22.874 -8.524 -43.551 1.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 21.898 -8.488 -43.662 1.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 23.090 -7.703 -43.075 1.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 20.134 -8.514 -43.388 1.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 20.061 -8.931 -42.507 1.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 19.267 -8.644 -43.784 1.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 15.450 -9.467 -38.443 1.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 14.615 -9.567 -38.950 1.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 16.147 -9.578 -39.116 1.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 23.332 -9.277 -36.159 1.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 23.237 -8.304 -36.055 1.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 23.605 -9.393 -37.098 1.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 26.897 -6.337 -40.932 1.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 26.932 -7.211 -40.500 1.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 27.185 -5.721 -40.239 1.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 26.476 -11.287 -39.550 1.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 26.094 -11.818 -40.283 1.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 26.556 -11.921 -38.809 1.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 16.933 -9.000 -40.832 1.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 17.527 -8.503 -40.228 1.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 16.176 -8.388 -40.989 1.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 13.479 -9.071 -36.564 1.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 13.018 -9.945 -36.593 1.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 14.243 -9.190 -37.166 1.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 16.070 -13.042 -42.723 1.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 16.549 -13.811 -43.101 1.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 15.289 -13.428 -42.316 1.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 25.520 -13.385 -49.612 1.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 25.099 -13.205 -48.738 1.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 24.970 -12.911 -50.239 1.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 20.100 -16.467 -49.827 1.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 20.518 -15.608 -49.916 1.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 19.177 -16.260 -49.573 1.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 26.176 -15.916 -46.651 1.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 25.489 -15.286 -46.916 1.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 25.935 -16.157 -45.727 1.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 25.099 -12.624 -41.526 1.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 25.641 -13.196 -42.113 1.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 24.544 -12.097 -42.149 1.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 13.415 -4.888 -26.200 1.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 13.823 -5.756 -25.982 1.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 14.157 -4.266 -26.169 1.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 16.118 -9.827 -30.709 1.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 15.314 -10.129 -30.259 1.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 15.822 -9.081 -31.245 1.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 21.123 -8.494 -30.255 1.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 21.518 -9.234 -30.754 1.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 20.228 -8.810 -30.028 1.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 13.273 -9.255 -27.695 1.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 13.933 -8.565 -27.909 1.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 13.154 -9.739 -28.543 1.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 18.927 -15.852 -26.965 1.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 18.951 -14.932 -26.603 1.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 17.976 -16.094 -26.934 1.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 15.248 -7.390 -28.412 1.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 15.029 -7.112 -27.501 1.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 16.184 -7.684 -28.349 1.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 20.736 -6.127 -33.938 1.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 20.235 -6.858 -34.370 1.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 20.050 -5.553 -33.576 1.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 18.495 -6.095 -26.160 1.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 19.309 -5.769 -26.619 1.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 18.183 -6.832 -26.729 1.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 19.546 -8.034 -35.469 1.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 18.610 -8.191 -35.725 1.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 19.995 -7.839 -36.317 1.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 19.058 -13.381 -25.891 1.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 19.497 -12.610 -26.313 1.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 18.417 -12.982 -25.270 1.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 22.761 -6.683 -35.758 1.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 23.410 -5.975 -35.687 1.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 22.160 -6.537 -34.994 1.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 21.518 -5.951 -31.268 1.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 21.442 -6.841 -30.856 1.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 21.475 -6.129 -32.224 1.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 14.614 -7.260 -25.736 1.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 14.736 -8.160 -25.371 1.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 15.318 -6.725 -25.302 1.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 20.640 -5.646 -27.720 1.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 20.727 -4.842 -28.279 1.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 21.150 -6.314 -28.190 1.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 17.631 -8.374 -27.446 1.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 17.641 -9.011 -26.700 1.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 18.083 -8.852 -28.178 1.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 18.622 -9.711 -29.618 1.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 19.049 -10.575 -29.811 1.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 17.746 -9.769 -30.068 1.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 20.908 -7.148 -37.766 1.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 21.452 -7.165 -38.592 1.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 21.551 -6.908 -37.069 1.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 21.444 -9.577 -34.166 1.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 20.684 -9.119 -34.572 1.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 22.124 -9.582 -34.870 1.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 16.218 -5.225 -24.953 1.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 16.461 -5.192 -24.009 1.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 17.082 -5.316 -25.420 1.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 17.004 -8.275 -36.493 1.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 16.383 -7.985 -35.791 1.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 16.427 -8.705 -37.159 1.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 23.307 -12.803 -33.166 1.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 23.318 -13.749 -33.334 1.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 23.613 -12.406 -34.011 1.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 21.050 -3.793 -29.677 1.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 21.228 -4.541 -30.292 1.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 21.452 -3.035 -30.104 1.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 20.208 -11.881 -30.022 1.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 20.855 -11.478 -30.654 1.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 20.193 -12.813 -30.266 1.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 18.671 -8.403 -38.809 1.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 18.144 -8.354 -37.990 1.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 19.495 -7.914 -38.593 1.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 16.850 -5.968 -22.275 1.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 17.408 -6.611 -22.771 1.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 17.346 -5.804 -21.463 1.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 22.670 -7.402 -39.790 1.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 23.268 -6.989 -40.442 1.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 22.628 -8.337 -40.068 1.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 18.252 -7.642 -23.896 1.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 17.967 -8.461 -24.362 1.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 18.541 -7.044 -24.621 1.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 17.281 -9.845 -25.114 1.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 17.504 -10.717 -24.721 1.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 16.310 -9.892 -25.255 1.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 14.428 -12.897 -25.157 1.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 14.180 -13.468 -25.922 1.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 14.109 -13.401 -24.381 1.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 10.162 -4.056 -25.929 1.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 10.706 -4.569 -26.543 1.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 10.284 -3.143 -26.207 1.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 14.588 -10.083 -25.438 1.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 14.504 -11.052 -25.287 1.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 14.051 -9.920 -26.242 1.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 20.261 -11.294 -27.266 1.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 20.708 -10.448 -27.169 1.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 20.267 -11.460 -28.231 1.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 24.138 -11.964 -35.674 1.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 23.838 -11.045 -35.837 1.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 24.941 -12.055 -36.230 1.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 21.885 -10.827 -31.838 1.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 21.674 -10.321 -32.662 1.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 22.486 -11.540 -32.150 1.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 13.407 -14.809 -26.863 1.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 13.439 -15.654 -26.360 1.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 12.691 -14.944 -27.515 1.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 15.334 -11.388 -21.543 1.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 15.896 -11.221 -20.753 1.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 15.247 -12.368 -21.570 1.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 16.257 -5.190 -5.720 1.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 16.101 -5.147 -6.687 1.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 17.139 -4.823 -5.607 1.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 15.748 -5.187 -8.421 1.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 16.149 -4.497 -9.000 1.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 14.852 -5.293 -8.768 1.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 18.037 -9.489 -6.686 1.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 18.906 -9.476 -7.130 1.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 17.527 -8.783 -7.136 1.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 17.199 -8.544 -10.604 1.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 17.821 -8.121 -11.207 1.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 16.661 -9.131 -11.188 1.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 19.849 -14.452 -11.839 1.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 20.547 -15.120 -12.008 1.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 20.192 -13.936 -11.070 1.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 20.378 -9.510 -8.167 1.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 20.987 -10.276 -8.038 1.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 20.922 -8.741 -7.963 1.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 14.675 -11.434 -10.157 1.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 15.234 -11.049 -10.863 1.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 13.833 -11.660 -10.617 1.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 15.253 -10.038 -17.321 1.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 14.500 -9.499 -17.648 1.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 15.735 -10.287 -18.134 1.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 16.811 -3.306 -10.098 1.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 17.768 -3.336 -10.209 1.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 16.547 -2.485 -10.529 1.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 16.143 -10.397 -12.229 1.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 15.765 -10.163 -13.115 1.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 16.784 -11.115 -12.424 1.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 17.959 -12.416 -11.982 1.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 18.676 -13.073 -12.101 1.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 18.231 -11.907 -11.190 1.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 14.321 -8.664 -6.542 1.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 14.282 -7.994 -5.826 1.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 15.065 -8.360 -7.112 1.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 17.841 -8.937 -21.447 1.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 17.099 -9.424 -21.825 1.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 18.262 -8.511 -22.215 1.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 20.979 -13.523 -6.230 1.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 20.437 -13.660 -5.448 1.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 21.144 -14.433 -6.572 1.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 22.048 -11.611 -7.775 1.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 21.631 -12.254 -7.147 1.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 22.993 -11.705 -7.615 1.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 16.228 -6.938 -0.436 1.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 16.988 -6.385 -0.638 1.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 16.103 -7.479 -1.245 1.00 0.00 WAT1 ATOM 4731 OH2 TIP3 1099 13.635 -9.516 -0.975 1.00 0.00 WAT1 ATOM 4732 H1 TIP3 1099 13.065 -8.969 -0.398 1.00 0.00 WAT1 ATOM 4733 H2 TIP3 1099 14.022 -10.188 -0.367 1.00 0.00 WAT1 ATOM 4734 OH2 TIP3 1100 18.599 -10.859 -9.731 1.00 0.00 WAT1 ATOM 4735 H1 TIP3 1100 19.231 -10.352 -9.174 1.00 0.00 WAT1 ATOM 4736 H2 TIP3 1100 17.895 -10.215 -9.931 1.00 0.00 WAT1 ATOM 4737 OH2 TIP3 1101 16.422 -7.822 -8.113 1.00 0.00 WAT1 ATOM 4738 H1 TIP3 1101 16.276 -6.857 -8.206 1.00 0.00 WAT1 ATOM 4739 H2 TIP3 1101 16.669 -8.115 -9.022 1.00 0.00 WAT1 ATOM 4740 OH2 TIP3 1102 15.061 -9.763 -14.625 1.00 0.00 WAT1 ATOM 4741 H1 TIP3 1102 14.150 -9.424 -14.524 1.00 0.00 WAT1 ATOM 4742 H2 TIP3 1102 15.174 -9.857 -15.596 1.00 0.00 WAT1 ATOM 4743 OH2 TIP3 1103 14.147 -11.183 -7.557 1.00 0.00 WAT1 ATOM 4744 H1 TIP3 1103 14.377 -11.208 -8.520 1.00 0.00 WAT1 ATOM 4745 H2 TIP3 1103 14.074 -10.225 -7.352 1.00 0.00 WAT1 ATOM 4746 OH2 TIP3 1104 17.850 -11.471 -17.027 1.00 0.00 WAT1 ATOM 4747 H1 TIP3 1104 17.034 -11.065 -16.690 1.00 0.00 WAT1 ATOM 4748 H2 TIP3 1104 18.165 -12.012 -16.298 1.00 0.00 WAT1 ATOM 4749 OH2 TIP3 1105 17.765 -16.123 -12.515 1.00 0.00 WAT1 ATOM 4750 H1 TIP3 1105 18.214 -16.952 -12.789 1.00 0.00 WAT1 ATOM 4751 H2 TIP3 1105 18.503 -15.518 -12.287 1.00 0.00 WAT1 ATOM 4752 OH2 TIP3 1106 16.932 -10.678 -19.488 1.00 0.00 WAT1 ATOM 4753 H1 TIP3 1106 17.459 -11.050 -18.747 1.00 0.00 WAT1 ATOM 4754 H2 TIP3 1106 17.532 -10.026 -19.907 1.00 0.00 WAT1 ATOM 4755 OH2 TIP3 1107 12.232 -10.100 -5.303 1.00 0.00 WAT1 ATOM 4756 H1 TIP3 1107 12.759 -10.495 -4.572 1.00 0.00 WAT1 ATOM 4757 H2 TIP3 1107 12.880 -9.555 -5.796 1.00 0.00 WAT1 ATOM 4758 OH2 TIP3 1108 16.364 -11.013 -3.164 1.00 0.00 WAT1 ATOM 4759 H1 TIP3 1108 16.399 -10.041 -3.042 1.00 0.00 WAT1 ATOM 4760 H2 TIP3 1108 16.577 -11.143 -4.114 1.00 0.00 WAT1 ATOM 4761 OH2 TIP3 1109 16.969 -12.002 1.911 1.00 0.00 WAT1 ATOM 4762 H1 TIP3 1109 16.973 -11.787 2.853 1.00 0.00 WAT1 ATOM 4763 H2 TIP3 1109 17.812 -11.659 1.584 1.00 0.00 WAT1 ATOM 4764 OH2 TIP3 1110 14.305 -6.908 1.499 1.00 0.00 WAT1 ATOM 4765 H1 TIP3 1110 15.059 -6.931 0.865 1.00 0.00 WAT1 ATOM 4766 H2 TIP3 1110 13.538 -7.183 0.965 1.00 0.00 WAT1 ATOM 4767 OH2 TIP3 1111 14.627 -11.644 0.457 1.00 0.00 WAT1 ATOM 4768 H1 TIP3 1111 15.438 -11.658 1.005 1.00 0.00 WAT1 ATOM 4769 H2 TIP3 1111 13.949 -12.086 1.022 1.00 0.00 WAT1 ATOM 4770 OH2 TIP3 1112 13.616 -11.130 -3.178 1.00 0.00 WAT1 ATOM 4771 H1 TIP3 1112 13.525 -10.485 -2.442 1.00 0.00 WAT1 ATOM 4772 H2 TIP3 1112 14.586 -11.250 -3.268 1.00 0.00 WAT1 ATOM 4773 OH2 TIP3 1113 15.537 -8.391 -2.661 1.00 0.00 WAT1 ATOM 4774 H1 TIP3 1113 15.088 -7.857 -3.353 1.00 0.00 WAT1 ATOM 4775 H2 TIP3 1113 14.804 -8.725 -2.100 1.00 0.00 WAT1 ATOM 4776 OH2 TIP3 1114 29.683 -36.360 -5.880 1.00 0.00 WAT1 ATOM 4777 H1 TIP3 1114 29.891 -35.400 -5.909 1.00 0.00 WAT1 ATOM 4778 H2 TIP3 1114 30.528 -36.792 -6.145 1.00 0.00 WAT1 ATOM 4779 OH2 TIP3 1115 32.197 -37.085 -6.512 1.00 0.00 WAT1 ATOM 4780 H1 TIP3 1115 32.805 -36.333 -6.341 1.00 0.00 WAT1 ATOM 4781 H2 TIP3 1115 32.691 -37.658 -7.105 1.00 0.00 WAT1 ATOM 4782 OH2 TIP3 1116 33.074 -28.816 -1.131 1.00 0.00 WAT1 ATOM 4783 H1 TIP3 1116 33.447 -28.932 -2.034 1.00 0.00 WAT1 ATOM 4784 H2 TIP3 1116 33.597 -28.067 -0.750 1.00 0.00 WAT1 ATOM 4785 OH2 TIP3 1117 28.909 -39.535 -2.356 1.00 0.00 WAT1 ATOM 4786 H1 TIP3 1117 29.430 -40.345 -2.322 1.00 0.00 WAT1 ATOM 4787 H2 TIP3 1117 28.956 -39.178 -1.436 1.00 0.00 WAT1 ATOM 4788 OH2 TIP3 1118 33.734 -35.032 -9.118 1.00 0.00 WAT1 ATOM 4789 H1 TIP3 1118 33.628 -34.101 -8.843 1.00 0.00 WAT1 ATOM 4790 H2 TIP3 1118 34.133 -35.459 -8.347 1.00 0.00 WAT1 ATOM 4791 OH2 TIP3 1119 34.753 -29.289 2.695 1.00 0.00 WAT1 ATOM 4792 H1 TIP3 1119 34.194 -28.489 2.799 1.00 0.00 WAT1 ATOM 4793 H2 TIP3 1119 35.651 -28.953 2.723 1.00 0.00 WAT1 ATOM 4794 OH2 TIP3 1120 34.052 -33.765 0.681 1.00 0.00 WAT1 ATOM 4795 H1 TIP3 1120 35.005 -33.908 0.850 1.00 0.00 WAT1 ATOM 4796 H2 TIP3 1120 33.811 -33.029 1.280 1.00 0.00 WAT1 ATOM 4797 OH2 TIP3 1121 36.827 -34.125 1.185 1.00 0.00 WAT1 ATOM 4798 H1 TIP3 1121 37.349 -34.361 1.959 1.00 0.00 WAT1 ATOM 4799 H2 TIP3 1121 37.465 -34.093 0.467 1.00 0.00 WAT1 ATOM 4800 OH2 TIP3 1122 33.684 -31.035 -5.481 1.00 0.00 WAT1 ATOM 4801 H1 TIP3 1122 33.890 -30.427 -4.746 1.00 0.00 WAT1 ATOM 4802 H2 TIP3 1122 32.773 -30.803 -5.735 1.00 0.00 WAT1 ATOM 4803 OH2 TIP3 1123 33.962 -28.828 -3.803 1.00 0.00 WAT1 ATOM 4804 H1 TIP3 1123 34.642 -28.273 -4.197 1.00 0.00 WAT1 ATOM 4805 H2 TIP3 1123 33.129 -28.550 -4.255 1.00 0.00 WAT1 ATOM 4806 OH2 TIP3 1124 30.787 -27.423 -2.347 1.00 0.00 WAT1 ATOM 4807 H1 TIP3 1124 30.457 -27.134 -1.474 1.00 0.00 WAT1 ATOM 4808 H2 TIP3 1124 31.325 -28.214 -2.148 1.00 0.00 WAT1 ATOM 4809 OH2 TIP3 1125 31.056 -31.129 -6.756 1.00 0.00 WAT1 ATOM 4810 H1 TIP3 1125 30.428 -31.032 -7.490 1.00 0.00 WAT1 ATOM 4811 H2 TIP3 1125 30.549 -30.829 -5.970 1.00 0.00 WAT1 ATOM 4812 OH2 TIP3 1126 33.382 -32.737 -7.551 1.00 0.00 WAT1 ATOM 4813 H1 TIP3 1126 33.770 -32.173 -6.842 1.00 0.00 WAT1 ATOM 4814 H2 TIP3 1126 32.566 -32.273 -7.794 1.00 0.00 WAT1 ATOM 4815 OH2 TIP3 1127 31.183 -25.583 3.846 1.00 0.00 WAT1 ATOM 4816 H1 TIP3 1127 30.486 -25.341 3.212 1.00 0.00 WAT1 ATOM 4817 H2 TIP3 1127 30.699 -25.764 4.674 1.00 0.00 WAT1 ATOM 4818 OH2 TIP3 1128 33.497 -24.158 -0.782 1.00 0.00 WAT1 ATOM 4819 H1 TIP3 1128 33.781 -23.263 -0.979 1.00 0.00 WAT1 ATOM 4820 H2 TIP3 1128 32.649 -24.252 -1.264 1.00 0.00 WAT1 ATOM 4821 OH2 TIP3 1129 31.158 -30.045 3.291 1.00 0.00 WAT1 ATOM 4822 H1 TIP3 1129 30.946 -29.462 4.046 1.00 0.00 WAT1 ATOM 4823 H2 TIP3 1129 31.168 -29.441 2.515 1.00 0.00 WAT1 ATOM 4824 OH2 TIP3 1130 33.172 -27.035 2.688 1.00 0.00 WAT1 ATOM 4825 H1 TIP3 1130 32.483 -27.528 2.204 1.00 0.00 WAT1 ATOM 4826 H2 TIP3 1130 32.666 -26.376 3.216 1.00 0.00 WAT1 ATOM 4827 OH2 TIP3 1131 34.151 -26.652 0.084 1.00 0.00 WAT1 ATOM 4828 H1 TIP3 1131 34.034 -26.620 1.051 1.00 0.00 WAT1 ATOM 4829 H2 TIP3 1131 34.016 -25.722 -0.205 1.00 0.00 WAT1 END