REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1695.87, 115.249, 176.777, 86.2745, 682.789, -643.254, -2119.82, 5.48371, 0.636398 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.875464E-03,0.513483,1.36487,42.8219,4.898849E-03,0.237622 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 59, 15 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:49 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 21.078 -9.722 -14.931 1.00 2.52 ATOM 2 CB MET 1 21.806 -8.494 -13.323 1.00 22.34 ATOM 3 HB1 MET 1 21.893 -9.328 -12.641 1.00 36.35 ATOM 4 HB2 MET 1 21.467 -7.628 -12.773 1.00 4.20 ATOM 5 CG MET 1 23.191 -8.188 -13.881 1.00 64.32 ATOM 6 HG1 MET 1 23.101 -7.413 -14.630 1.00 36.35 ATOM 7 HG2 MET 1 23.586 -9.082 -14.341 1.00 13.02 ATOM 8 SD MET 1 24.347 -7.630 -12.609 1.00 41.11 ATOM 9 CE MET 1 24.438 -9.081 -11.556 1.00 61.12 ATOM 10 HE1 MET 1 24.809 -9.920 -12.125 1.00 12.02 ATOM 11 HE2 MET 1 23.455 -9.312 -11.172 1.00 4.02 ATOM 12 HE3 MET 1 25.109 -8.881 -10.733 1.00 22.50 ATOM 13 C MET 1 19.414 -9.136 -13.707 1.00 74.02 ATOM 14 O MET 1 18.558 -8.261 -13.601 1.00 41.11 ATOM 15 N MET 1 20.630 -7.719 -15.367 1.00 25.22 ATOM 16 HT1 MET 1 21.534 -7.563 -15.861 1.00 36.35 ATOM 17 HT2 MET 1 20.365 -6.843 -14.872 1.00 36.35 ATOM 18 HT3 MET 1 19.897 -7.935 -16.071 1.00 36.35 ATOM 19 CA MET 1 20.758 -8.840 -14.393 1.00 64.23 ATOM 20 N GLY 2 19.237 -10.371 -13.241 1.00 1.23 ATOM 21 HN GLY 2 19.923 -11.051 -13.415 1.00 36.35 ATOM 22 CA GLY 2 18.042 -10.727 -12.474 1.00 61.31 ATOM 23 HA1 GLY 2 17.725 -9.863 -11.905 1.00 36.35 ATOM 24 HA2 GLY 2 18.303 -11.513 -11.782 1.00 34.34 ATOM 25 C GLY 2 16.867 -11.203 -13.330 1.00 13.12 ATOM 26 O GLY 2 16.535 -10.594 -14.347 1.00 50.50 ATOM 27 N HIS 3 16.244 -12.306 -12.915 1.00 51.35 ATOM 28 HN HIS 3 16.603 -12.789 -12.140 1.00 36.35 ATOM 29 CA HIS 3 15.041 -12.830 -13.577 1.00 52.30 ATOM 30 HA HIS 3 14.660 -12.064 -14.240 1.00 33.44 ATOM 31 CB HIS 3 15.386 -14.084 -14.399 1.00 15.30 ATOM 32 HB1 HIS 3 14.490 -14.445 -14.884 1.00 36.35 ATOM 33 HB2 HIS 3 15.762 -14.850 -13.737 1.00 74.10 ATOM 34 CG HIS 3 16.419 -13.842 -15.459 1.00 53.02 ATOM 35 ND1 HIS 3 16.126 -13.263 -16.673 1.00 23.44 ATOM 36 HD1 HIS 3 15.240 -12.967 -16.965 1.00 73.20 ATOM 37 CD2 HIS 3 17.752 -14.095 -15.483 1.00 32.54 ATOM 38 HD2 HIS 3 18.336 -14.546 -14.692 1.00 11.50 ATOM 39 CE1 HIS 3 17.222 -13.167 -17.394 1.00 61.35 ATOM 40 HE1 HIS 3 17.290 -12.751 -18.387 1.00 71.20 ATOM 41 NE2 HIS 3 18.222 -13.661 -16.698 1.00 13.00 ATOM 42 HE2 HIS 3 19.109 -13.865 -17.065 1.00 36.35 ATOM 43 C HIS 3 13.957 -13.159 -12.536 1.00 44.30 ATOM 44 O HIS 3 13.197 -14.119 -12.687 1.00 44.50 ATOM 45 N HIS 4 13.879 -12.330 -11.493 1.00 60.13 ATOM 46 HN HIS 4 14.448 -11.528 -11.485 1.00 36.35 ATOM 47 CA HIS 4 12.963 -12.559 -10.372 1.00 1.52 ATOM 48 HA HIS 4 13.200 -13.526 -9.948 1.00 2.42 ATOM 49 CB HIS 4 13.170 -11.482 -9.295 1.00 33.43 ATOM 50 HB1 HIS 4 12.825 -10.530 -9.677 1.00 36.35 ATOM 51 HB2 HIS 4 14.224 -11.408 -9.069 1.00 52.02 ATOM 52 CG HIS 4 12.442 -11.758 -8.011 1.00 33.31 ATOM 53 ND1 HIS 4 11.421 -10.966 -7.530 1.00 20.34 ATOM 54 HD1 HIS 4 11.071 -10.155 -7.961 1.00 31.14 ATOM 55 CD2 HIS 4 12.607 -12.743 -7.095 1.00 15.43 ATOM 56 HD2 HIS 4 13.319 -13.555 -7.150 1.00 54.03 ATOM 57 CE1 HIS 4 10.993 -11.450 -6.381 1.00 54.32 ATOM 58 HE1 HIS 4 10.198 -11.036 -5.780 1.00 45.04 ATOM 59 NE2 HIS 4 11.695 -12.527 -6.093 1.00 63.01 ATOM 60 HE2 HIS 4 11.706 -12.972 -5.216 1.00 36.35 ATOM 61 C HIS 4 11.496 -12.571 -10.841 1.00 14.11 ATOM 62 O HIS 4 10.987 -11.577 -11.367 1.00 51.44 ATOM 63 N HIS 5 10.824 -13.702 -10.635 1.00 64.44 ATOM 64 HN HIS 5 11.271 -14.435 -10.157 1.00 36.35 ATOM 65 CA HIS 5 9.443 -13.888 -11.094 1.00 73.31 ATOM 66 HA HIS 5 9.384 -13.537 -12.116 1.00 74.20 ATOM 67 CB HIS 5 9.088 -15.378 -11.060 1.00 14.40 ATOM 68 HB1 HIS 5 8.174 -15.539 -11.613 1.00 36.35 ATOM 69 HB2 HIS 5 8.942 -15.686 -10.034 1.00 61.01 ATOM 70 CG HIS 5 10.151 -16.253 -11.657 1.00 61.01 ATOM 71 ND1 HIS 5 10.906 -17.132 -10.912 1.00 34.33 ATOM 72 HD1 HIS 5 10.825 -17.282 -9.943 1.00 15.32 ATOM 73 CD2 HIS 5 10.592 -16.374 -12.931 1.00 51.42 ATOM 74 HD2 HIS 5 10.222 -15.833 -13.792 1.00 50.11 ATOM 75 CE1 HIS 5 11.760 -17.753 -11.697 1.00 72.54 ATOM 76 HE1 HIS 5 12.476 -18.500 -11.385 1.00 43.43 ATOM 77 NE2 HIS 5 11.592 -17.313 -12.926 1.00 52.34 ATOM 78 HE2 HIS 5 12.211 -17.485 -13.670 1.00 36.35 ATOM 79 C HIS 5 8.454 -13.076 -10.235 1.00 15.53 ATOM 80 O HIS 5 7.677 -13.632 -9.456 1.00 42.11 ATOM 81 N HIS 6 8.495 -11.756 -10.396 1.00 41.54 ATOM 82 HN HIS 6 9.082 -11.388 -11.090 1.00 36.35 ATOM 83 CA HIS 6 7.706 -10.832 -9.572 1.00 74.45 ATOM 84 HA HIS 6 7.996 -10.995 -8.543 1.00 14.30 ATOM 85 CB HIS 6 8.051 -9.381 -9.944 1.00 11.23 ATOM 86 HB1 HIS 6 9.051 -9.160 -9.599 1.00 36.35 ATOM 87 HB2 HIS 6 7.357 -8.713 -9.456 1.00 13.15 ATOM 88 CG HIS 6 8.002 -9.099 -11.418 1.00 73.11 ATOM 89 ND1 HIS 6 9.112 -9.177 -12.235 1.00 33.45 ATOM 90 HD1 HIS 6 10.027 -9.398 -11.946 1.00 14.35 ATOM 91 CD2 HIS 6 6.972 -8.741 -12.226 1.00 51.11 ATOM 92 HD2 HIS 6 5.945 -8.588 -11.927 1.00 74.22 ATOM 93 CE1 HIS 6 8.770 -8.881 -13.473 1.00 24.21 ATOM 94 HE1 HIS 6 9.435 -8.857 -14.323 1.00 60.14 ATOM 95 NE2 HIS 6 7.480 -8.614 -13.496 1.00 20.04 ATOM 96 HE2 HIS 6 6.946 -8.499 -14.313 1.00 36.35 ATOM 97 C HIS 6 6.189 -11.067 -9.685 1.00 43.04 ATOM 98 O HIS 6 5.459 -10.913 -8.705 1.00 61.31 ATOM 99 N HIS 7 5.718 -11.448 -10.872 1.00 33.51 ATOM 100 HN HIS 7 6.347 -11.623 -11.605 1.00 36.35 ATOM 101 CA HIS 7 4.276 -11.617 -11.106 1.00 51.24 ATOM 102 HA HIS 7 3.755 -11.019 -10.371 1.00 33.55 ATOM 103 CB HIS 7 3.903 -11.102 -12.507 1.00 31.21 ATOM 104 HB1 HIS 7 4.212 -11.829 -13.246 1.00 36.35 ATOM 105 HB2 HIS 7 4.423 -10.173 -12.691 1.00 11.10 ATOM 106 CG HIS 7 2.431 -10.848 -12.692 1.00 52.34 ATOM 107 ND1 HIS 7 1.822 -9.669 -12.320 1.00 3.43 ATOM 108 HD1 HIS 7 2.270 -8.897 -11.911 1.00 72.01 ATOM 109 CD2 HIS 7 1.445 -11.626 -13.206 1.00 0.35 ATOM 110 HD2 HIS 7 1.556 -12.626 -13.602 1.00 73.51 ATOM 111 CE1 HIS 7 0.535 -9.732 -12.595 1.00 15.42 ATOM 112 HE1 HIS 7 -0.187 -8.951 -12.414 1.00 74.13 ATOM 113 NE2 HIS 7 0.280 -10.905 -13.132 1.00 14.34 ATOM 114 HE2 HIS 7 -0.569 -11.159 -13.550 1.00 36.35 ATOM 115 C HIS 7 3.836 -13.087 -10.932 1.00 65.23 ATOM 116 O HIS 7 2.740 -13.466 -11.340 1.00 31.20 ATOM 117 N HIS 8 4.702 -13.910 -10.334 1.00 33.41 ATOM 118 HN HIS 8 5.594 -13.576 -10.105 1.00 36.35 ATOM 119 CA HIS 8 4.346 -15.297 -9.992 1.00 25.34 ATOM 120 HA HIS 8 3.460 -15.243 -9.373 1.00 14.22 ATOM 121 CB HIS 8 3.995 -16.123 -11.252 1.00 73.34 ATOM 122 HB1 HIS 8 3.071 -15.743 -11.669 1.00 36.35 ATOM 123 HB2 HIS 8 3.848 -17.153 -10.966 1.00 54.33 ATOM 124 CG HIS 8 5.031 -16.097 -12.344 1.00 11.23 ATOM 125 ND1 HIS 8 5.001 -15.195 -13.383 1.00 21.10 ATOM 126 HD1 HIS 8 4.317 -14.507 -13.526 1.00 31.24 ATOM 127 CD2 HIS 8 6.117 -16.877 -12.566 1.00 43.43 ATOM 128 HD2 HIS 8 6.452 -17.701 -11.951 1.00 51.22 ATOM 129 CE1 HIS 8 6.017 -15.416 -14.191 1.00 63.42 ATOM 130 HE1 HIS 8 6.242 -14.859 -15.089 1.00 53.33 ATOM 131 NE2 HIS 8 6.712 -16.430 -13.720 1.00 3.20 ATOM 132 HE2 HIS 8 7.395 -16.921 -14.228 1.00 36.35 ATOM 133 C HIS 8 5.445 -15.996 -9.166 1.00 1.15 ATOM 134 O HIS 8 6.302 -16.692 -9.706 1.00 23.43 ATOM 135 N SER 9 5.421 -15.788 -7.849 1.00 51.24 ATOM 136 HN SER 9 4.800 -15.118 -7.485 1.00 36.35 ATOM 137 CA SER 9 6.329 -16.500 -6.926 1.00 45.22 ATOM 138 HA SER 9 7.285 -16.604 -7.420 1.00 30.42 ATOM 139 CB SER 9 6.529 -15.692 -5.629 1.00 62.32 ATOM 140 HB1 SER 9 7.056 -16.298 -4.905 1.00 36.35 ATOM 141 HB2 SER 9 5.565 -15.415 -5.228 1.00 71.20 ATOM 142 OG SER 9 7.282 -14.507 -5.860 1.00 21.24 ATOM 143 HG SER 9 8.107 -14.556 -5.359 1.00 15.55 ATOM 144 C SER 9 5.806 -17.909 -6.580 1.00 51.13 ATOM 145 O SER 9 6.266 -18.536 -5.628 1.00 42.14 ATOM 146 N HIS 10 4.851 -18.407 -7.364 1.00 54.34 ATOM 147 HN HIS 10 4.538 -17.878 -8.124 1.00 36.35 ATOM 148 CA HIS 10 4.265 -19.734 -7.137 1.00 13.53 ATOM 149 HA HIS 10 4.629 -20.101 -6.186 1.00 25.04 ATOM 150 CB HIS 10 2.738 -19.624 -7.073 1.00 41.32 ATOM 151 HB1 HIS 10 2.318 -20.592 -6.838 1.00 36.35 ATOM 152 HB2 HIS 10 2.365 -19.297 -8.033 1.00 70.54 ATOM 153 CG HIS 10 2.265 -18.650 -6.037 1.00 20.52 ATOM 154 ND1 HIS 10 1.721 -17.423 -6.347 1.00 73.21 ATOM 155 HD1 HIS 10 1.565 -17.076 -7.253 1.00 64.04 ATOM 156 CD2 HIS 10 2.272 -18.721 -4.686 1.00 41.12 ATOM 157 HD2 HIS 10 2.625 -19.551 -4.089 1.00 22.30 ATOM 158 CE1 HIS 10 1.423 -16.781 -5.236 1.00 24.31 ATOM 159 HE1 HIS 10 0.984 -15.798 -5.173 1.00 73.13 ATOM 160 NE2 HIS 10 1.746 -17.545 -4.215 1.00 64.13 ATOM 161 HE2 HIS 10 1.819 -17.230 -3.287 1.00 36.35 ATOM 162 C HIS 10 4.685 -20.720 -8.238 1.00 73.11 ATOM 163 O HIS 10 4.833 -20.341 -9.398 1.00 61.21 ATOM 164 N MET 11 4.873 -21.985 -7.863 1.00 71.11 ATOM 165 HN MET 11 4.690 -22.238 -6.934 1.00 36.35 ATOM 166 CA MET 11 5.349 -23.017 -8.795 1.00 4.41 ATOM 167 HA MET 11 5.290 -22.626 -9.801 1.00 52.45 ATOM 168 CB MET 11 6.814 -23.360 -8.473 1.00 12.42 ATOM 169 HB1 MET 11 7.127 -24.180 -9.103 1.00 36.35 ATOM 170 HB2 MET 11 6.878 -23.670 -7.440 1.00 13.32 ATOM 171 CG MET 11 7.787 -22.205 -8.678 1.00 62.42 ATOM 172 HG1 MET 11 7.451 -21.358 -8.098 1.00 36.35 ATOM 173 HG2 MET 11 7.799 -21.940 -9.725 1.00 72.30 ATOM 174 SD MET 11 9.470 -22.618 -8.168 1.00 3.02 ATOM 175 CE MET 11 9.810 -24.038 -9.209 1.00 42.32 ATOM 176 HE1 MET 11 10.815 -24.388 -9.022 1.00 20.23 ATOM 177 HE2 MET 11 9.717 -23.755 -10.247 1.00 74.31 ATOM 178 HE3 MET 11 9.107 -24.826 -8.986 1.00 33.13 ATOM 179 C MET 11 4.496 -24.298 -8.706 1.00 3.45 ATOM 180 O MET 11 3.749 -24.493 -7.747 1.00 4.01 ATOM 181 N PRO 12 4.580 -25.185 -9.719 1.00 71.14 ATOM 182 CA PRO 12 4.005 -26.539 -9.639 1.00 44.45 ATOM 183 HA PRO 12 3.033 -26.535 -9.161 1.00 23.12 ATOM 184 CB PRO 12 3.859 -26.929 -11.114 1.00 31.30 ATOM 185 HB1 PRO 12 2.895 -26.608 -11.483 1.00 36.35 ATOM 186 HB2 PRO 12 3.949 -28.002 -11.220 1.00 63.45 ATOM 187 CG PRO 12 4.972 -26.213 -11.806 1.00 60.11 ATOM 188 HG1 PRO 12 4.689 -25.991 -12.826 1.00 36.35 ATOM 189 HG2 PRO 12 5.866 -26.821 -11.791 1.00 22.12 ATOM 190 CD PRO 12 5.202 -24.931 -11.037 1.00 24.14 ATOM 191 HD1 PRO 12 4.720 -24.100 -11.536 1.00 36.35 ATOM 192 HD2 PRO 12 6.260 -24.741 -10.929 1.00 15.32 ATOM 193 C PRO 12 4.942 -27.518 -8.895 1.00 5.11 ATOM 194 O PRO 12 5.090 -28.680 -9.284 1.00 31.41 ATOM 195 N ASP 13 5.539 -27.039 -7.801 1.00 22.33 ATOM 196 HN ASP 13 5.301 -26.137 -7.492 1.00 36.35 ATOM 197 CA ASP 13 6.527 -27.805 -7.026 1.00 14.22 ATOM 198 HA ASP 13 7.311 -28.120 -7.699 1.00 21.14 ATOM 199 CB ASP 13 7.130 -26.905 -5.945 1.00 71.23 ATOM 200 HB1 ASP 13 7.518 -26.006 -6.402 1.00 36.35 ATOM 201 HB2 ASP 13 7.937 -27.431 -5.451 1.00 43.14 ATOM 202 CG ASP 13 6.093 -26.510 -4.909 1.00 11.42 ATOM 203 OD1 ASP 13 6.220 -26.928 -3.742 1.00 41.00 ATOM 204 OD2 ASP 13 5.112 -25.829 -5.281 1.00 23.41 ATOM 205 C ASP 13 5.904 -29.047 -6.366 1.00 72.22 ATOM 206 O ASP 13 6.611 -29.982 -5.987 1.00 32.15 ATOM 207 N HIS 14 4.578 -29.046 -6.244 1.00 42.22 ATOM 208 HN HIS 14 4.074 -28.299 -6.627 1.00 36.35 ATOM 209 CA HIS 14 3.847 -30.121 -5.563 1.00 32.02 ATOM 210 HA HIS 14 4.403 -30.372 -4.671 1.00 63.45 ATOM 211 CB HIS 14 2.462 -29.612 -5.141 1.00 54.15 ATOM 212 HB1 HIS 14 1.843 -30.453 -4.859 1.00 36.35 ATOM 213 HB2 HIS 14 2.004 -29.099 -5.974 1.00 34.13 ATOM 214 CG HIS 14 2.505 -28.659 -3.978 1.00 23.04 ATOM 215 ND1 HIS 14 3.194 -27.461 -3.998 1.00 0.00 ATOM 216 HD1 HIS 14 3.724 -27.110 -4.745 1.00 30.55 ATOM 217 CD2 HIS 14 1.954 -28.743 -2.741 1.00 74.25 ATOM 218 HD2 HIS 14 1.343 -29.551 -2.364 1.00 74.21 ATOM 219 CE1 HIS 14 3.064 -26.856 -2.835 1.00 64.00 ATOM 220 HE1 HIS 14 3.493 -25.901 -2.568 1.00 4.44 ATOM 221 NE2 HIS 14 2.319 -27.610 -2.058 1.00 54.35 ATOM 222 HE2 HIS 14 2.030 -27.373 -1.150 1.00 36.35 ATOM 223 C HIS 14 3.728 -31.395 -6.422 1.00 50.20 ATOM 224 O HIS 14 2.932 -32.283 -6.117 1.00 33.14 ATOM 225 N GLY 15 4.527 -31.483 -7.485 1.00 54.31 ATOM 226 HN GLY 15 5.051 -30.702 -7.753 1.00 36.35 ATOM 227 CA GLY 15 4.630 -32.719 -8.254 1.00 31.32 ATOM 228 HA1 GLY 15 4.774 -33.541 -7.567 1.00 36.35 ATOM 229 HA2 GLY 15 5.501 -32.652 -8.889 1.00 31.34 ATOM 230 C GLY 15 3.420 -33.020 -9.132 1.00 74.03 ATOM 231 O GLY 15 3.175 -32.326 -10.121 1.00 40.21 ATOM 232 N ASP 16 2.668 -34.056 -8.772 1.00 53.10 ATOM 233 HN ASP 16 2.840 -34.491 -7.911 1.00 36.35 ATOM 234 CA ASP 16 1.581 -34.558 -9.616 1.00 33.11 ATOM 235 HA ASP 16 1.706 -34.129 -10.600 1.00 70.43 ATOM 236 CB ASP 16 1.689 -36.081 -9.738 1.00 32.20 ATOM 237 HB1 ASP 16 0.796 -36.468 -10.210 1.00 36.35 ATOM 238 HB2 ASP 16 1.783 -36.511 -8.750 1.00 64.23 ATOM 239 CG ASP 16 2.893 -36.494 -10.567 1.00 14.42 ATOM 240 OD1 ASP 16 3.970 -36.737 -9.988 1.00 1.25 ATOM 241 OD2 ASP 16 2.770 -36.552 -11.811 1.00 10.34 ATOM 242 C ASP 16 0.194 -34.160 -9.091 1.00 12.10 ATOM 243 O ASP 16 -0.082 -34.224 -7.893 1.00 34.23 ATOM 244 N TRP 17 -0.680 -33.763 -10.015 1.00 63.20 ATOM 245 HN TRP 17 -0.401 -33.758 -10.955 1.00 36.35 ATOM 246 CA TRP 17 -2.038 -33.324 -9.675 1.00 40.34 ATOM 247 HA TRP 17 -2.071 -33.111 -8.615 1.00 61.21 ATOM 248 CB TRP 17 -2.379 -32.045 -10.454 1.00 44.41 ATOM 249 HB1 TRP 17 -3.301 -31.631 -10.070 1.00 36.35 ATOM 250 HB2 TRP 17 -2.512 -32.289 -11.498 1.00 10.12 ATOM 251 CG TRP 17 -1.320 -30.983 -10.361 1.00 53.42 ATOM 252 CD1 TRP 17 -0.273 -30.798 -11.218 1.00 53.31 ATOM 253 HD1 TRP 17 -0.082 -31.413 -12.085 1.00 44.21 ATOM 254 CD2 TRP 17 -1.204 -29.964 -9.361 1.00 1.54 ATOM 255 NE1 TRP 17 0.485 -29.729 -10.814 1.00 1.12 ATOM 256 HE1 TRP 17 1.288 -29.400 -11.266 1.00 15.34 ATOM 257 CE2 TRP 17 -0.064 -29.199 -9.676 1.00 63.20 ATOM 258 CE3 TRP 17 -1.954 -29.624 -8.232 1.00 24.13 ATOM 259 HE3 TRP 17 -2.836 -30.186 -7.954 1.00 34.21 ATOM 260 CZ2 TRP 17 0.342 -28.116 -8.902 1.00 42.00 ATOM 261 HZ2 TRP 17 1.218 -27.535 -9.149 1.00 25.54 ATOM 262 CZ3 TRP 17 -1.549 -28.548 -7.464 1.00 21.13 ATOM 263 HZ3 TRP 17 -2.115 -28.272 -6.585 1.00 55.24 ATOM 264 CH2 TRP 17 -0.410 -27.805 -7.802 1.00 2.21 ATOM 265 HH2 TRP 17 -0.129 -26.974 -7.171 1.00 12.23 ATOM 266 C TRP 17 -3.073 -34.416 -9.995 1.00 21.42 ATOM 267 O TRP 17 -4.265 -34.258 -9.718 1.00 3.43 ATOM 268 N THR 18 -2.613 -35.519 -10.585 1.00 20.43 ATOM 269 HN THR 18 -1.649 -35.604 -10.748 1.00 36.35 ATOM 270 CA THR 18 -3.506 -36.615 -10.994 1.00 10.21 ATOM 271 HA THR 18 -4.498 -36.203 -11.115 1.00 21.45 ATOM 272 CB THR 18 -3.074 -37.222 -12.354 1.00 45.13 ATOM 273 HB THR 18 -3.739 -38.043 -12.592 1.00 41.15 ATOM 274 OG1 THR 18 -1.730 -37.724 -12.270 1.00 70.20 ATOM 275 HG1 THR 18 -1.524 -38.226 -13.072 1.00 62.42 ATOM 276 CG2 THR 18 -3.165 -36.186 -13.471 1.00 72.10 ATOM 277 HG21 THR 18 -4.175 -35.806 -13.530 1.00 62.22 ATOM 278 HG22 THR 18 -2.900 -36.646 -14.412 1.00 61.40 ATOM 279 HG23 THR 18 -2.485 -35.371 -13.266 1.00 3.24 ATOM 280 C THR 18 -3.573 -37.741 -9.948 1.00 44.54 ATOM 281 O THR 18 -3.009 -37.643 -8.859 1.00 23.20 ATOM 282 N TYR 19 -4.272 -38.819 -10.301 1.00 2.11 ATOM 283 HN TYR 19 -4.645 -38.860 -11.204 1.00 36.35 ATOM 284 CA TYR 19 -4.508 -39.948 -9.390 1.00 64.55 ATOM 285 HA TYR 19 -4.008 -39.745 -8.454 1.00 55.31 ATOM 286 CB TYR 19 -6.023 -40.075 -9.138 1.00 51.31 ATOM 287 HB1 TYR 19 -6.368 -39.200 -8.604 1.00 36.35 ATOM 288 HB2 TYR 19 -6.211 -40.953 -8.534 1.00 74.43 ATOM 289 CG TYR 19 -6.840 -40.198 -10.419 1.00 54.50 ATOM 290 CD1 TYR 19 -7.223 -41.441 -10.915 1.00 14.12 ATOM 291 HD1 TYR 19 -6.947 -42.332 -10.369 1.00 2.44 ATOM 292 CD2 TYR 19 -7.210 -39.066 -11.141 1.00 64.34 ATOM 293 HD2 TYR 19 -6.924 -38.091 -10.772 1.00 32.52 ATOM 294 CE1 TYR 19 -7.943 -41.551 -12.089 1.00 2.24 ATOM 295 HE1 TYR 19 -8.229 -42.527 -12.456 1.00 22.34 ATOM 296 CE2 TYR 19 -7.935 -39.171 -12.313 1.00 40.41 ATOM 297 HE2 TYR 19 -8.212 -38.280 -12.856 1.00 71.40 ATOM 298 CZ TYR 19 -8.299 -40.415 -12.783 1.00 52.22 ATOM 299 OH TYR 19 -9.013 -40.523 -13.956 1.00 41.23 ATOM 300 HH TYR 19 -9.771 -41.104 -13.814 1.00 74.33 ATOM 301 C TYR 19 -3.960 -41.262 -9.977 1.00 11.32 ATOM 302 O TYR 19 -4.500 -42.339 -9.720 1.00 73.21 ATOM 303 N GLU 20 -2.869 -41.175 -10.739 1.00 74.44 ATOM 304 HN GLU 20 -2.399 -40.318 -10.803 1.00 36.35 ATOM 305 CA GLU 20 -2.345 -42.335 -11.479 1.00 62.54 ATOM 306 HA GLU 20 -3.194 -42.884 -11.861 1.00 73.15 ATOM 307 CB GLU 20 -1.509 -41.845 -12.673 1.00 32.01 ATOM 308 HB1 GLU 20 -0.569 -41.458 -12.306 1.00 36.35 ATOM 309 HB2 GLU 20 -2.045 -41.047 -13.168 1.00 71.13 ATOM 310 CG GLU 20 -1.210 -42.927 -13.707 1.00 20.43 ATOM 311 HG1 GLU 20 -2.146 -43.350 -14.047 1.00 36.35 ATOM 312 HG2 GLU 20 -0.619 -43.702 -13.239 1.00 10.32 ATOM 313 CD GLU 20 -0.453 -42.394 -14.910 1.00 24.34 ATOM 314 OE1 GLU 20 0.779 -42.603 -14.992 1.00 64.44 ATOM 315 OE2 GLU 20 -1.087 -41.751 -15.776 1.00 55.24 ATOM 316 C GLU 20 -1.519 -43.288 -10.580 1.00 23.32 ATOM 317 O GLU 20 -0.390 -43.662 -10.918 1.00 74.42 ATOM 318 N GLU 21 -2.104 -43.678 -9.443 1.00 41.23 ATOM 319 HN GLU 21 -2.972 -43.298 -9.211 1.00 36.35 ATOM 320 CA GLU 21 -1.508 -44.668 -8.528 1.00 44.11 ATOM 321 HA GLU 21 -2.178 -44.763 -7.686 1.00 62.32 ATOM 322 CB GLU 21 -1.411 -46.037 -9.224 1.00 41.11 ATOM 323 HB1 GLU 21 -0.962 -46.745 -8.542 1.00 36.35 ATOM 324 HB2 GLU 21 -0.777 -45.942 -10.095 1.00 31.30 ATOM 325 CG GLU 21 -2.756 -46.601 -9.677 1.00 22.12 ATOM 326 HG1 GLU 21 -2.585 -47.549 -10.170 1.00 36.35 ATOM 327 HG2 GLU 21 -3.202 -45.912 -10.380 1.00 43.43 ATOM 328 CD GLU 21 -3.725 -46.821 -8.523 1.00 40.24 ATOM 329 OE1 GLU 21 -3.506 -47.763 -7.731 1.00 5.13 ATOM 330 OE2 GLU 21 -4.708 -46.059 -8.404 1.00 45.12 ATOM 331 C GLU 21 -0.123 -44.252 -7.991 1.00 63.31 ATOM 332 O GLU 21 0.381 -43.161 -8.270 1.00 51.02 ATOM 333 N GLN 22 0.469 -45.133 -7.183 1.00 23.54 ATOM 334 HN GLN 22 -0.035 -45.928 -6.903 1.00 36.35 ATOM 335 CA GLN 22 1.835 -44.946 -6.686 1.00 3.34 ATOM 336 HA GLN 22 1.903 -43.950 -6.267 1.00 71.32 ATOM 337 CB GLN 22 2.148 -45.972 -5.581 1.00 21.31 ATOM 338 HB1 GLN 22 1.583 -45.714 -4.697 1.00 36.35 ATOM 339 HB2 GLN 22 3.203 -45.920 -5.346 1.00 42.43 ATOM 340 CG GLN 22 1.811 -47.415 -5.960 1.00 61.44 ATOM 341 HG1 GLN 22 2.208 -47.615 -6.946 1.00 36.35 ATOM 342 HG2 GLN 22 0.736 -47.523 -5.983 1.00 31.01 ATOM 343 CD GLN 22 2.378 -48.446 -4.991 1.00 23.22 ATOM 344 OE1 GLN 22 1.776 -49.486 -4.749 1.00 60.30 ATOM 345 NE2 GLN 22 3.555 -48.184 -4.456 1.00 62.43 ATOM 346 HE21 GLN 22 4.001 -47.351 -4.701 1.00 72.34 ATOM 347 HE22 GLN 22 3.939 -48.848 -3.846 1.00 41.21 ATOM 348 C GLN 22 2.863 -45.079 -7.824 1.00 44.13 ATOM 349 O GLN 22 2.856 -46.060 -8.574 1.00 4.14 ATOM 350 N PHE 23 3.750 -44.091 -7.950 1.00 14.43 ATOM 351 HN PHE 23 3.701 -43.327 -7.342 1.00 36.35 ATOM 352 CA PHE 23 4.789 -44.121 -8.989 1.00 40.24 ATOM 353 HA PHE 23 4.405 -44.733 -9.796 1.00 33.30 ATOM 354 CB PHE 23 5.050 -42.710 -9.552 1.00 1.33 ATOM 355 HB1 PHE 23 4.230 -42.439 -10.204 1.00 36.35 ATOM 356 HB2 PHE 23 5.960 -42.728 -10.134 1.00 4.32 ATOM 357 CG PHE 23 5.194 -41.622 -8.515 1.00 25.43 ATOM 358 CD1 PHE 23 6.362 -41.486 -7.784 1.00 62.35 ATOM 359 HD1 PHE 23 7.175 -42.178 -7.951 1.00 51.22 ATOM 360 CD2 PHE 23 4.160 -40.722 -8.288 1.00 1.34 ATOM 361 HD2 PHE 23 3.241 -40.816 -8.850 1.00 11.55 ATOM 362 CE1 PHE 23 6.499 -40.478 -6.849 1.00 40.41 ATOM 363 HE1 PHE 23 7.417 -40.385 -6.285 1.00 33.13 ATOM 364 CE2 PHE 23 4.291 -39.715 -7.352 1.00 72.10 ATOM 365 HE2 PHE 23 3.478 -39.022 -7.185 1.00 74.34 ATOM 366 CZ PHE 23 5.462 -39.592 -6.632 1.00 10.21 ATOM 367 HZ PHE 23 5.567 -38.804 -5.900 1.00 72.14 ATOM 368 C PHE 23 6.097 -44.775 -8.498 1.00 32.31 ATOM 369 O PHE 23 6.368 -44.862 -7.297 1.00 65.02 ATOM 370 N LYS 24 6.907 -45.205 -9.460 1.00 14.44 ATOM 371 HN LYS 24 6.689 -44.969 -10.387 1.00 36.35 ATOM 372 CA LYS 24 8.111 -46.013 -9.216 1.00 52.22 ATOM 373 HA LYS 24 7.818 -46.877 -8.638 1.00 10.41 ATOM 374 CB LYS 24 8.643 -46.491 -10.577 1.00 25.35 ATOM 375 HB1 LYS 24 8.861 -45.622 -11.184 1.00 36.35 ATOM 376 HB2 LYS 24 7.870 -47.068 -11.065 1.00 23.43 ATOM 377 CG LYS 24 9.899 -47.349 -10.510 1.00 72.33 ATOM 378 HG1 LYS 24 10.636 -46.835 -9.908 1.00 36.35 ATOM 379 HG2 LYS 24 10.284 -47.478 -11.511 1.00 72.21 ATOM 380 CD LYS 24 9.638 -48.725 -9.903 1.00 72.42 ATOM 381 HD1 LYS 24 8.870 -49.223 -10.479 1.00 36.35 ATOM 382 HD2 LYS 24 9.303 -48.604 -8.881 1.00 71.53 ATOM 383 CE LYS 24 10.899 -49.581 -9.912 1.00 2.52 ATOM 384 HE1 LYS 24 10.662 -50.556 -9.514 1.00 36.35 ATOM 385 HE2 LYS 24 11.645 -49.111 -9.287 1.00 14.23 ATOM 386 NZ LYS 24 11.451 -49.740 -11.283 1.00 44.51 ATOM 387 HZ1 LYS 24 11.679 -48.811 -11.691 1.00 21.33 ATOM 388 HZ2 LYS 24 10.759 -50.211 -11.898 1.00 72.25 ATOM 389 HZ3 LYS 24 12.319 -50.313 -11.258 1.00 22.33 ATOM 390 C LYS 24 9.216 -45.251 -8.449 1.00 54.43 ATOM 391 O LYS 24 10.091 -45.867 -7.832 1.00 5.43 ATOM 392 N GLN 25 9.164 -43.921 -8.477 1.00 54.11 ATOM 393 HN GLN 25 8.405 -43.489 -8.921 1.00 36.35 ATOM 394 CA GLN 25 10.221 -43.079 -7.889 1.00 70.43 ATOM 395 HA GLN 25 11.105 -43.211 -8.498 1.00 53.02 ATOM 396 CB GLN 25 9.812 -41.599 -7.946 1.00 5.23 ATOM 397 HB1 GLN 25 8.911 -41.465 -7.362 1.00 36.35 ATOM 398 HB2 GLN 25 9.601 -41.337 -8.973 1.00 2.01 ATOM 399 CG GLN 25 10.870 -40.634 -7.416 1.00 24.35 ATOM 400 HG1 GLN 25 11.052 -40.859 -6.374 1.00 36.35 ATOM 401 HG2 GLN 25 10.492 -39.625 -7.500 1.00 4.01 ATOM 402 CD GLN 25 12.189 -40.721 -8.171 1.00 24.13 ATOM 403 OE1 GLN 25 12.399 -40.034 -9.165 1.00 41.13 ATOM 404 NE2 GLN 25 13.090 -41.563 -7.706 1.00 2.20 ATOM 405 HE21 GLN 25 12.871 -42.087 -6.909 1.00 3.21 ATOM 406 HE22 GLN 25 13.948 -41.625 -8.176 1.00 61.34 ATOM 407 C GLN 25 10.571 -43.479 -6.440 1.00 25.42 ATOM 408 O GLN 25 11.747 -43.524 -6.074 1.00 12.52 ATOM 409 N LEU 26 9.559 -43.777 -5.623 1.00 2.23 ATOM 410 HN LEU 26 8.641 -43.716 -5.958 1.00 36.35 ATOM 411 CA LEU 26 9.793 -44.196 -4.230 1.00 52.32 ATOM 412 HA LEU 26 10.345 -43.406 -3.742 1.00 51.13 ATOM 413 CB LEU 26 8.463 -44.399 -3.486 1.00 34.24 ATOM 414 HB1 LEU 26 8.668 -44.922 -2.562 1.00 36.35 ATOM 415 HB2 LEU 26 7.829 -45.027 -4.097 1.00 3.32 ATOM 416 CG LEU 26 7.686 -43.117 -3.145 1.00 43.25 ATOM 417 HG LEU 26 7.399 -42.622 -4.062 1.00 63.11 ATOM 418 CD1 LEU 26 6.410 -43.456 -2.378 1.00 35.42 ATOM 419 HD11 LEU 26 6.664 -43.957 -1.455 1.00 24.11 ATOM 420 HD12 LEU 26 5.788 -44.103 -2.979 1.00 70.13 ATOM 421 HD13 LEU 26 5.870 -42.546 -2.157 1.00 23.40 ATOM 422 CD2 LEU 26 8.556 -42.154 -2.337 1.00 12.01 ATOM 423 HD21 LEU 26 7.994 -41.258 -2.116 1.00 54.25 ATOM 424 HD22 LEU 26 9.434 -41.894 -2.910 1.00 40.50 ATOM 425 HD23 LEU 26 8.858 -42.627 -1.413 1.00 2.34 ATOM 426 C LEU 26 10.625 -45.489 -4.154 1.00 13.32 ATOM 427 O LEU 26 11.442 -45.667 -3.250 1.00 1.32 ATOM 428 N TYR 27 10.411 -46.381 -5.111 1.00 41.12 ATOM 429 HN TYR 27 9.776 -46.163 -5.825 1.00 36.35 ATOM 430 CA TYR 27 11.101 -47.673 -5.147 1.00 74.32 ATOM 431 HA TYR 27 11.106 -48.065 -4.138 1.00 25.14 ATOM 432 CB TYR 27 10.328 -48.651 -6.047 1.00 33.45 ATOM 433 HB1 TYR 27 10.928 -49.536 -6.211 1.00 36.35 ATOM 434 HB2 TYR 27 10.130 -48.177 -6.998 1.00 33.21 ATOM 435 CG TYR 27 8.995 -49.089 -5.458 1.00 42.34 ATOM 436 CD1 TYR 27 8.799 -50.397 -5.029 1.00 33.00 ATOM 437 HD1 TYR 27 9.603 -51.111 -5.136 1.00 70.20 ATOM 438 CD2 TYR 27 7.943 -48.190 -5.310 1.00 4.40 ATOM 439 HD2 TYR 27 8.074 -47.169 -5.637 1.00 61.22 ATOM 440 CE1 TYR 27 7.600 -50.797 -4.471 1.00 53.40 ATOM 441 HE1 TYR 27 7.471 -51.819 -4.145 1.00 71.23 ATOM 442 CE2 TYR 27 6.738 -48.584 -4.757 1.00 55.33 ATOM 443 HE2 TYR 27 5.933 -47.872 -4.654 1.00 33.42 ATOM 444 CZ TYR 27 6.572 -49.889 -4.339 1.00 13.30 ATOM 445 OH TYR 27 5.378 -50.286 -3.775 1.00 23.12 ATOM 446 HH TYR 27 5.561 -50.869 -3.029 1.00 52.23 ATOM 447 C TYR 27 12.562 -47.529 -5.617 1.00 72.11 ATOM 448 O TYR 27 13.423 -48.328 -5.245 1.00 13.35 ATOM 449 N GLU 28 12.832 -46.512 -6.437 1.00 22.15 ATOM 450 HN GLU 28 12.109 -45.895 -6.684 1.00 36.35 ATOM 451 CA GLU 28 14.181 -46.298 -6.997 1.00 71.11 ATOM 452 HA GLU 28 14.702 -47.245 -6.981 1.00 32.41 ATOM 453 CB GLU 28 14.071 -45.823 -8.449 1.00 21.41 ATOM 454 HB1 GLU 28 15.068 -45.728 -8.858 1.00 36.35 ATOM 455 HB2 GLU 28 13.595 -44.852 -8.462 1.00 32.11 ATOM 456 CG GLU 28 13.273 -46.753 -9.353 1.00 73.41 ATOM 457 HG1 GLU 28 12.277 -46.866 -8.945 1.00 36.35 ATOM 458 HG2 GLU 28 13.761 -47.718 -9.379 1.00 71.21 ATOM 459 CD GLU 28 13.159 -46.218 -10.769 1.00 1.24 ATOM 460 OE1 GLU 28 12.586 -45.123 -10.949 1.00 11.20 ATOM 461 OE2 GLU 28 13.643 -46.883 -11.706 1.00 61.31 ATOM 462 C GLU 28 15.010 -45.267 -6.204 1.00 73.41 ATOM 463 O GLU 28 16.115 -44.917 -6.624 1.00 54.22 ATOM 464 N LEU 29 14.491 -44.796 -5.065 1.00 4.31 ATOM 465 HN LEU 29 13.642 -45.166 -4.743 1.00 36.35 ATOM 466 CA LEU 29 15.149 -43.724 -4.287 1.00 45.51 ATOM 467 HA LEU 29 15.043 -42.811 -4.858 1.00 42.31 ATOM 468 CB LEU 29 14.441 -43.530 -2.936 1.00 45.33 ATOM 469 HB1 LEU 29 15.035 -42.854 -2.334 1.00 36.35 ATOM 470 HB2 LEU 29 14.399 -44.487 -2.434 1.00 63.11 ATOM 471 CG LEU 29 13.011 -42.962 -3.025 1.00 74.23 ATOM 472 HG LEU 29 12.414 -43.617 -3.645 1.00 31.13 ATOM 473 CD1 LEU 29 12.353 -42.902 -1.646 1.00 2.51 ATOM 474 HD11 LEU 29 11.354 -42.500 -1.741 1.00 33.35 ATOM 475 HD12 LEU 29 12.934 -42.267 -0.992 1.00 21.25 ATOM 476 HD13 LEU 29 12.300 -43.896 -1.227 1.00 55.14 ATOM 477 CD2 LEU 29 13.016 -41.580 -3.677 1.00 11.42 ATOM 478 HD21 LEU 29 13.457 -41.646 -4.661 1.00 23.22 ATOM 479 HD22 LEU 29 13.589 -40.893 -3.070 1.00 74.22 ATOM 480 HD23 LEU 29 12.000 -41.219 -3.764 1.00 42.33 ATOM 481 C LEU 29 16.658 -43.973 -4.072 1.00 55.11 ATOM 482 O LEU 29 17.480 -43.095 -4.347 1.00 11.13 ATOM 483 N ASP 30 17.026 -45.155 -3.576 1.00 42.33 ATOM 484 HN ASP 30 16.337 -45.790 -3.285 1.00 36.35 ATOM 485 CA ASP 30 18.445 -45.522 -3.440 1.00 11.40 ATOM 486 HA ASP 30 19.030 -44.679 -3.787 1.00 41.01 ATOM 487 CB ASP 30 18.804 -45.781 -1.966 1.00 63.04 ATOM 488 HB1 ASP 30 18.816 -44.834 -1.443 1.00 36.35 ATOM 489 HB2 ASP 30 19.791 -46.218 -1.917 1.00 13.31 ATOM 490 CG ASP 30 17.836 -46.712 -1.249 1.00 32.05 ATOM 491 OD1 ASP 30 17.787 -46.666 0.000 1.00 12.21 ATOM 492 OD2 ASP 30 17.110 -47.473 -1.920 1.00 41.45 ATOM 493 C ASP 30 18.812 -46.737 -4.312 1.00 74.05 ATOM 494 O ASP 30 19.931 -46.831 -4.823 1.00 21.33 ATOM 495 N GLY 31 17.868 -47.659 -4.474 1.00 1.44 ATOM 496 HN GLY 31 17.010 -47.542 -4.019 1.00 36.35 ATOM 497 CA GLY 31 18.096 -48.844 -5.294 1.00 21.05 ATOM 498 HA1 GLY 31 18.918 -48.652 -5.970 1.00 36.35 ATOM 499 HA2 GLY 31 17.207 -49.035 -5.877 1.00 44.44 ATOM 500 C GLY 31 18.415 -50.087 -4.470 1.00 64.35 ATOM 501 O GLY 31 18.823 -51.114 -5.018 1.00 4.44 ATOM 502 N ASP 32 18.223 -49.996 -3.154 1.00 72.14 ATOM 503 HN ASP 32 17.903 -49.147 -2.778 1.00 36.35 ATOM 504 CA ASP 32 18.481 -51.119 -2.246 1.00 31.51 ATOM 505 HA ASP 32 19.218 -51.756 -2.717 1.00 72.24 ATOM 506 CB ASP 32 19.061 -50.601 -0.924 1.00 12.45 ATOM 507 HB1 ASP 32 19.084 -51.407 -0.202 1.00 36.35 ATOM 508 HB2 ASP 32 18.435 -49.803 -0.546 1.00 71.33 ATOM 509 CG ASP 32 20.472 -50.077 -1.105 1.00 44.44 ATOM 510 OD1 ASP 32 21.351 -50.875 -1.491 1.00 13.22 ATOM 511 OD2 ASP 32 20.718 -48.876 -0.861 1.00 70.24 ATOM 512 C ASP 32 17.213 -51.955 -1.990 1.00 24.33 ATOM 513 O ASP 32 16.096 -51.432 -1.994 1.00 2.11 ATOM 514 N PRO 33 17.376 -53.273 -1.750 1.00 33.23 ATOM 515 CA PRO 33 16.244 -54.201 -1.552 1.00 13.14 ATOM 516 HA PRO 33 15.666 -54.308 -2.462 1.00 33.14 ATOM 517 CB PRO 33 16.930 -55.542 -1.222 1.00 0.12 ATOM 518 HB1 PRO 33 16.913 -56.182 -2.094 1.00 36.35 ATOM 519 HB2 PRO 33 16.409 -56.029 -0.409 1.00 4.41 ATOM 520 CG PRO 33 18.328 -55.184 -0.838 1.00 71.25 ATOM 521 HG1 PRO 33 18.999 -55.999 -1.075 1.00 36.35 ATOM 522 HG2 PRO 33 18.373 -54.955 0.219 1.00 51.41 ATOM 523 CD PRO 33 18.672 -53.970 -1.650 1.00 4.24 ATOM 524 HD1 PRO 33 19.036 -54.254 -2.627 1.00 36.35 ATOM 525 HD2 PRO 33 19.403 -53.363 -1.134 1.00 70.20 ATOM 526 C PRO 33 15.306 -53.779 -0.406 1.00 42.44 ATOM 527 O PRO 33 14.087 -53.707 -0.579 1.00 1.01 ATOM 528 N LYS 34 15.882 -53.478 0.756 1.00 75.42 ATOM 529 HN LYS 34 16.860 -53.491 0.818 1.00 36.35 ATOM 530 CA LYS 34 15.093 -53.142 1.946 1.00 11.54 ATOM 531 HA LYS 34 14.392 -53.950 2.099 1.00 21.32 ATOM 532 CB LYS 34 16.003 -53.056 3.179 1.00 43.35 ATOM 533 HB1 LYS 34 15.395 -52.853 4.051 1.00 36.35 ATOM 534 HB2 LYS 34 16.705 -52.245 3.043 1.00 73.44 ATOM 535 CG LYS 34 16.794 -54.340 3.434 1.00 45.12 ATOM 536 HG1 LYS 34 17.350 -54.230 4.355 1.00 36.35 ATOM 537 HG2 LYS 34 17.483 -54.494 2.615 1.00 31.01 ATOM 538 CD LYS 34 15.884 -55.566 3.548 1.00 24.12 ATOM 539 HD1 LYS 34 16.501 -56.453 3.602 1.00 36.35 ATOM 540 HD2 LYS 34 15.259 -55.621 2.668 1.00 3.13 ATOM 541 CE LYS 34 14.989 -55.514 4.782 1.00 45.53 ATOM 542 HE1 LYS 34 14.276 -56.326 4.729 1.00 36.35 ATOM 543 HE2 LYS 34 14.459 -54.572 4.791 1.00 62.13 ATOM 544 NZ LYS 34 15.771 -55.640 6.040 1.00 11.33 ATOM 545 HZ1 LYS 34 16.255 -56.560 6.072 1.00 24.41 ATOM 546 HZ2 LYS 34 15.140 -55.568 6.860 1.00 53.32 ATOM 547 HZ3 LYS 34 16.484 -54.883 6.099 1.00 44.34 ATOM 548 C LYS 34 14.286 -51.842 1.769 1.00 22.42 ATOM 549 O LYS 34 13.311 -51.617 2.481 1.00 35.42 ATOM 550 N ARG 35 14.686 -51.000 0.813 1.00 4.52 ATOM 551 HN ARG 35 15.505 -51.198 0.314 1.00 36.35 ATOM 552 CA ARG 35 13.928 -49.781 0.489 1.00 73.45 ATOM 553 HA ARG 35 13.853 -49.187 1.388 1.00 40.14 ATOM 554 CB ARG 35 14.656 -48.964 -0.592 1.00 15.54 ATOM 555 HB1 ARG 35 14.860 -49.610 -1.436 1.00 36.35 ATOM 556 HB2 ARG 35 15.597 -48.615 -0.189 1.00 5.35 ATOM 557 CG ARG 35 13.872 -47.749 -1.102 1.00 23.03 ATOM 558 HG1 ARG 35 12.876 -48.067 -1.379 1.00 36.35 ATOM 559 HG2 ARG 35 14.374 -47.352 -1.974 1.00 51.20 ATOM 560 CD ARG 35 13.765 -46.643 -0.056 1.00 24.11 ATOM 561 HD1 ARG 35 13.347 -47.057 0.851 1.00 36.35 ATOM 562 HD2 ARG 35 13.108 -45.871 -0.433 1.00 1.34 ATOM 563 NE ARG 35 15.067 -46.053 0.248 1.00 12.04 ATOM 564 HE ARG 35 15.840 -46.656 0.273 1.00 34.22 ATOM 565 CZ ARG 35 15.275 -44.782 0.465 1.00 21.20 ATOM 566 NH1 ARG 35 14.298 -43.935 0.465 1.00 3.02 ATOM 567 HH11 ARG 35 13.371 -44.248 0.301 1.00 12.40 ATOM 568 HH12 ARG 35 14.487 -42.965 0.612 1.00 71.13 ATOM 569 NH2 ARG 35 16.471 -44.359 0.687 1.00 4.12 ATOM 570 HH21 ARG 35 17.232 -45.008 0.694 1.00 13.24 ATOM 571 HH22 ARG 35 16.634 -43.386 0.841 1.00 54.42 ATOM 572 C ARG 35 12.513 -50.126 0.003 1.00 74.10 ATOM 573 O ARG 35 11.519 -49.774 0.639 1.00 32.34 ATOM 574 N LYS 36 12.433 -50.819 -1.131 1.00 21.05 ATOM 575 HN LYS 36 13.255 -51.071 -1.588 1.00 36.35 ATOM 576 CA LYS 36 11.139 -51.195 -1.704 1.00 30.53 ATOM 577 HA LYS 36 10.535 -50.295 -1.717 1.00 12.54 ATOM 578 CB LYS 36 11.270 -51.698 -3.158 1.00 34.22 ATOM 579 HB1 LYS 36 11.681 -50.896 -3.758 1.00 36.35 ATOM 580 HB2 LYS 36 10.280 -51.922 -3.528 1.00 75.43 ATOM 581 CG LYS 36 12.135 -52.945 -3.371 1.00 73.23 ATOM 582 HG1 LYS 36 11.828 -53.423 -4.292 1.00 36.35 ATOM 583 HG2 LYS 36 11.971 -53.625 -2.547 1.00 15.45 ATOM 584 CD LYS 36 13.632 -52.630 -3.451 1.00 44.30 ATOM 585 HD1 LYS 36 14.159 -53.534 -3.725 1.00 36.35 ATOM 586 HD2 LYS 36 13.977 -52.303 -2.485 1.00 74.42 ATOM 587 CE LYS 36 13.954 -51.549 -4.482 1.00 4.33 ATOM 588 HE1 LYS 36 15.014 -51.338 -4.445 1.00 36.35 ATOM 589 HE2 LYS 36 13.405 -50.653 -4.232 1.00 64.14 ATOM 590 NZ LYS 36 13.594 -51.964 -5.862 1.00 44.31 ATOM 591 HZ1 LYS 36 14.152 -52.794 -6.144 1.00 1.05 ATOM 592 HZ2 LYS 36 13.784 -51.191 -6.531 1.00 71.53 ATOM 593 HZ3 LYS 36 12.586 -52.206 -5.911 1.00 62.24 ATOM 594 C LYS 36 10.407 -52.227 -0.830 1.00 4.22 ATOM 595 O LYS 36 9.188 -52.179 -0.711 1.00 33.13 ATOM 596 N GLU 37 11.148 -53.147 -0.207 1.00 33.11 ATOM 597 HN GLU 37 12.112 -53.193 -0.390 1.00 36.35 ATOM 598 CA GLU 37 10.548 -54.101 0.741 1.00 52.21 ATOM 599 HA GLU 37 9.828 -54.696 0.195 1.00 53.44 ATOM 600 CB GLU 37 11.621 -55.030 1.327 1.00 52.52 ATOM 601 HB1 GLU 37 11.192 -55.584 2.151 1.00 36.35 ATOM 602 HB2 GLU 37 12.437 -54.427 1.700 1.00 25.51 ATOM 603 CG GLU 37 12.187 -56.032 0.324 1.00 32.13 ATOM 604 HG1 GLU 37 12.589 -55.486 -0.518 1.00 36.35 ATOM 605 HG2 GLU 37 11.385 -56.672 -0.018 1.00 44.12 ATOM 606 CD GLU 37 13.288 -56.906 0.914 1.00 21.43 ATOM 607 OE1 GLU 37 14.311 -57.129 0.230 1.00 41.43 ATOM 608 OE2 GLU 37 13.137 -57.372 2.063 1.00 5.22 ATOM 609 C GLU 37 9.813 -53.365 1.876 1.00 50.12 ATOM 610 O GLU 37 8.680 -53.709 2.223 1.00 13.25 ATOM 611 N PHE 38 10.472 -52.350 2.441 1.00 20.22 ATOM 612 HN PHE 38 11.396 -52.175 2.165 1.00 36.35 ATOM 613 CA PHE 38 9.865 -51.484 3.462 1.00 3.22 ATOM 614 HA PHE 38 9.629 -52.094 4.324 1.00 42.03 ATOM 615 CB PHE 38 10.874 -50.395 3.870 1.00 64.11 ATOM 616 HB1 PHE 38 11.142 -49.824 2.992 1.00 36.35 ATOM 617 HB2 PHE 38 11.763 -50.874 4.254 1.00 3.02 ATOM 618 CG PHE 38 10.383 -49.426 4.922 1.00 23.52 ATOM 619 CD1 PHE 38 9.638 -48.308 4.568 1.00 23.44 ATOM 620 HD1 PHE 38 9.396 -48.140 3.529 1.00 33.14 ATOM 621 CD2 PHE 38 10.686 -49.625 6.262 1.00 2.21 ATOM 622 HD2 PHE 38 11.266 -50.489 6.552 1.00 25.53 ATOM 623 CE1 PHE 38 9.204 -47.413 5.527 1.00 42.24 ATOM 624 HE1 PHE 38 8.626 -46.547 5.237 1.00 4.13 ATOM 625 CE2 PHE 38 10.253 -48.733 7.224 1.00 2.23 ATOM 626 HE2 PHE 38 10.494 -48.900 8.263 1.00 72.53 ATOM 627 CZ PHE 38 9.512 -47.625 6.856 1.00 10.25 ATOM 628 HZ PHE 38 9.173 -46.927 7.608 1.00 54.11 ATOM 629 C PHE 38 8.575 -50.839 2.931 1.00 44.13 ATOM 630 O PHE 38 7.546 -50.826 3.605 1.00 12.24 ATOM 631 N LEU 39 8.647 -50.312 1.709 1.00 44.15 ATOM 632 HN LEU 39 9.497 -50.364 1.223 1.00 36.35 ATOM 633 CA LEU 39 7.501 -49.655 1.069 1.00 24.22 ATOM 634 HA LEU 39 7.176 -48.856 1.721 1.00 25.24 ATOM 635 CB LEU 39 7.929 -49.048 -0.273 1.00 63.34 ATOM 636 HB1 LEU 39 7.057 -48.623 -0.749 1.00 36.35 ATOM 637 HB2 LEU 39 8.305 -49.848 -0.898 1.00 53.23 ATOM 638 CG LEU 39 9.008 -47.958 -0.183 1.00 45.04 ATOM 639 HG LEU 39 9.889 -48.375 0.286 1.00 23.55 ATOM 640 CD1 LEU 39 9.407 -47.484 -1.575 1.00 0.31 ATOM 641 HD11 LEU 39 10.180 -46.734 -1.494 1.00 51.02 ATOM 642 HD12 LEU 39 8.546 -47.062 -2.074 1.00 34.11 ATOM 643 HD13 LEU 39 9.780 -48.321 -2.148 1.00 33.02 ATOM 644 CD2 LEU 39 8.529 -46.786 0.675 1.00 72.11 ATOM 645 HD21 LEU 39 7.633 -46.363 0.244 1.00 3.31 ATOM 646 HD22 LEU 39 9.300 -46.029 0.716 1.00 72.53 ATOM 647 HD23 LEU 39 8.318 -47.134 1.676 1.00 53.02 ATOM 648 C LEU 39 6.327 -50.624 0.855 1.00 30.32 ATOM 649 O LEU 39 5.189 -50.309 1.191 1.00 3.13 ATOM 650 N ASP 40 6.609 -51.796 0.289 1.00 25.52 ATOM 651 HN ASP 40 7.531 -51.984 0.022 1.00 36.35 ATOM 652 CA ASP 40 5.577 -52.812 0.051 1.00 31.13 ATOM 653 HA ASP 40 4.844 -52.372 -0.611 1.00 12.12 ATOM 654 CB ASP 40 6.181 -54.042 -0.640 1.00 54.50 ATOM 655 HB1 ASP 40 5.518 -54.886 -0.508 1.00 36.35 ATOM 656 HB2 ASP 40 7.136 -54.270 -0.187 1.00 62.44 ATOM 657 CG ASP 40 6.391 -53.825 -2.131 1.00 13.10 ATOM 658 OD1 ASP 40 5.394 -53.890 -2.884 1.00 65.24 ATOM 659 OD2 ASP 40 7.541 -53.604 -2.561 1.00 41.35 ATOM 660 C ASP 40 4.861 -53.223 1.349 1.00 74.42 ATOM 661 O ASP 40 3.631 -53.308 1.383 1.00 73.23 ATOM 662 N ASP 41 5.624 -53.476 2.413 1.00 54.21 ATOM 663 HN ASP 41 6.604 -53.438 2.323 1.00 36.35 ATOM 664 CA ASP 41 5.032 -53.814 3.713 1.00 75.11 ATOM 665 HA ASP 41 4.347 -54.637 3.556 1.00 11.10 ATOM 666 CB ASP 41 6.121 -54.257 4.698 1.00 44.35 ATOM 667 HB1 ASP 41 6.792 -53.428 4.877 1.00 36.35 ATOM 668 HB2 ASP 41 6.678 -55.075 4.263 1.00 72.31 ATOM 669 CG ASP 41 5.548 -54.718 6.031 1.00 41.20 ATOM 670 OD1 ASP 41 5.719 -54.010 7.042 1.00 33.10 ATOM 671 OD2 ASP 41 4.920 -55.797 6.076 1.00 5.11 ATOM 672 C ASP 41 4.244 -52.621 4.282 1.00 22.54 ATOM 673 O ASP 41 3.139 -52.786 4.795 1.00 1.02 ATOM 674 N LEU 42 4.820 -51.422 4.171 1.00 13.45 ATOM 675 HN LEU 42 5.721 -51.369 3.786 1.00 36.35 ATOM 676 CA LEU 42 4.161 -50.182 4.610 1.00 32.01 ATOM 677 HA LEU 42 4.022 -50.241 5.681 1.00 52.21 ATOM 678 CB LEU 42 5.064 -48.975 4.291 1.00 52.43 ATOM 679 HB1 LEU 42 5.395 -49.066 3.265 1.00 36.35 ATOM 680 HB2 LEU 42 5.934 -49.028 4.933 1.00 43.22 ATOM 681 CG LEU 42 4.422 -47.586 4.466 1.00 23.35 ATOM 682 HG LEU 42 3.520 -47.542 3.870 1.00 4.32 ATOM 683 CD1 LEU 42 4.025 -47.340 5.919 1.00 52.44 ATOM 684 HD11 LEU 42 3.606 -46.349 6.018 1.00 65.44 ATOM 685 HD12 LEU 42 4.897 -47.426 6.553 1.00 4.42 ATOM 686 HD13 LEU 42 3.290 -48.072 6.220 1.00 22.23 ATOM 687 CD2 LEU 42 5.366 -46.493 3.966 1.00 44.25 ATOM 688 HD21 LEU 42 5.555 -46.636 2.912 1.00 21.31 ATOM 689 HD22 LEU 42 6.300 -46.544 4.509 1.00 44.15 ATOM 690 HD23 LEU 42 4.912 -45.525 4.122 1.00 72.11 ATOM 691 C LEU 42 2.788 -49.996 3.938 1.00 11.13 ATOM 692 O LEU 42 1.760 -49.905 4.615 1.00 73.02 ATOM 693 N PHE 43 2.783 -49.954 2.602 1.00 3.34 ATOM 694 HN PHE 43 3.629 -50.074 2.123 1.00 36.35 ATOM 695 CA PHE 43 1.553 -49.734 1.830 1.00 11.02 ATOM 696 HA PHE 43 1.134 -48.790 2.150 1.00 40.40 ATOM 697 CB PHE 43 1.861 -49.651 0.326 1.00 53.23 ATOM 698 HB1 PHE 43 0.938 -49.488 -0.214 1.00 36.35 ATOM 699 HB2 PHE 43 2.297 -50.586 0.002 1.00 24.14 ATOM 700 CG PHE 43 2.816 -48.538 -0.048 1.00 31.05 ATOM 701 CD1 PHE 43 2.734 -47.292 0.561 1.00 44.42 ATOM 702 HD1 PHE 43 1.983 -47.120 1.320 1.00 31.30 ATOM 703 CD2 PHE 43 3.786 -48.739 -1.019 1.00 74.02 ATOM 704 HD2 PHE 43 3.862 -49.704 -1.501 1.00 11.31 ATOM 705 CE1 PHE 43 3.602 -46.274 0.210 1.00 22.34 ATOM 706 HE1 PHE 43 3.528 -45.308 0.691 1.00 5.33 ATOM 707 CE2 PHE 43 4.656 -47.725 -1.371 1.00 21.21 ATOM 708 HE2 PHE 43 5.407 -47.898 -2.129 1.00 2.23 ATOM 709 CZ PHE 43 4.564 -46.491 -0.757 1.00 55.04 ATOM 710 HZ PHE 43 5.244 -45.698 -1.032 1.00 43.21 ATOM 711 C PHE 43 0.521 -50.838 2.094 1.00 72.14 ATOM 712 O PHE 43 -0.643 -50.553 2.369 1.00 54.12 ATOM 713 N SER 44 0.960 -52.093 2.017 1.00 35.15 ATOM 714 HN SER 44 1.902 -52.250 1.789 1.00 36.35 ATOM 715 CA SER 44 0.082 -53.249 2.267 1.00 1.04 ATOM 716 HA SER 44 -0.720 -53.217 1.542 1.00 60.51 ATOM 717 CB SER 44 0.863 -54.558 2.086 1.00 50.35 ATOM 718 HB1 SER 44 1.703 -54.573 2.767 1.00 36.35 ATOM 719 HB2 SER 44 1.224 -54.621 1.069 1.00 73.54 ATOM 720 OG SER 44 0.047 -55.688 2.351 1.00 50.45 ATOM 721 HG SER 44 0.603 -56.472 2.432 1.00 23.43 ATOM 722 C SER 44 -0.523 -53.199 3.677 1.00 32.15 ATOM 723 O SER 44 -1.734 -53.359 3.857 1.00 71.13 ATOM 724 N PHE 45 0.329 -52.951 4.667 1.00 73.21 ATOM 725 HN PHE 45 1.274 -52.797 4.450 1.00 36.35 ATOM 726 CA PHE 45 -0.088 -52.892 6.071 1.00 13.12 ATOM 727 HA PHE 45 -0.433 -53.876 6.354 1.00 12.55 ATOM 728 CB PHE 45 1.123 -52.521 6.940 1.00 61.13 ATOM 729 HB1 PHE 45 1.536 -51.589 6.581 1.00 36.35 ATOM 730 HB2 PHE 45 1.874 -53.294 6.844 1.00 2.12 ATOM 731 CG PHE 45 0.816 -52.359 8.407 1.00 12.52 ATOM 732 CD1 PHE 45 0.605 -53.470 9.212 1.00 24.33 ATOM 733 HD1 PHE 45 0.655 -54.460 8.779 1.00 2.42 ATOM 734 CD2 PHE 45 0.749 -51.096 8.981 1.00 12.21 ATOM 735 HD2 PHE 45 0.910 -50.223 8.364 1.00 20.04 ATOM 736 CE1 PHE 45 0.334 -53.322 10.557 1.00 42.01 ATOM 737 HE1 PHE 45 0.170 -54.194 11.175 1.00 51.13 ATOM 738 CE2 PHE 45 0.477 -50.947 10.324 1.00 24.41 ATOM 739 HE2 PHE 45 0.426 -49.959 10.760 1.00 1.54 ATOM 740 CZ PHE 45 0.269 -52.061 11.112 1.00 53.20 ATOM 741 HZ PHE 45 0.058 -51.944 12.165 1.00 73.51 ATOM 742 C PHE 45 -1.230 -51.882 6.289 1.00 25.23 ATOM 743 O PHE 45 -2.299 -52.230 6.801 1.00 3.15 ATOM 744 N MET 46 -1.002 -50.631 5.894 1.00 5.31 ATOM 745 HN MET 46 -0.142 -50.414 5.469 1.00 36.35 ATOM 746 CA MET 46 -1.999 -49.571 6.084 1.00 41.04 ATOM 747 HA MET 46 -2.331 -49.624 7.112 1.00 12.22 ATOM 748 CB MET 46 -1.361 -48.192 5.851 1.00 24.31 ATOM 749 HB1 MET 46 -0.575 -48.041 6.582 1.00 36.35 ATOM 750 HB2 MET 46 -2.117 -47.432 5.995 1.00 10.31 ATOM 751 CG MET 46 -0.760 -48.007 4.462 1.00 43.02 ATOM 752 HG1 MET 46 -1.547 -48.106 3.725 1.00 36.35 ATOM 753 HG2 MET 46 -0.019 -48.774 4.298 1.00 1.13 ATOM 754 SD MET 46 0.026 -46.400 4.256 1.00 62.54 ATOM 755 CE MET 46 -1.355 -45.316 4.598 1.00 54.20 ATOM 756 HE1 MET 46 -2.119 -45.459 3.849 1.00 13.32 ATOM 757 HE2 MET 46 -1.020 -44.293 4.580 1.00 35.55 ATOM 758 HE3 MET 46 -1.759 -45.544 5.573 1.00 10.04 ATOM 759 C MET 46 -3.229 -49.765 5.172 1.00 44.35 ATOM 760 O MET 46 -4.369 -49.560 5.600 1.00 15.11 ATOM 761 N GLN 47 -2.996 -50.184 3.929 1.00 4.13 ATOM 762 HN GLN 47 -2.072 -50.368 3.656 1.00 36.35 ATOM 763 CA GLN 47 -4.076 -50.385 2.951 1.00 13.45 ATOM 764 HA GLN 47 -4.569 -49.436 2.802 1.00 35.43 ATOM 765 CB GLN 47 -3.483 -50.855 1.614 1.00 45.40 ATOM 766 HB1 GLN 47 -3.008 -51.814 1.765 1.00 36.35 ATOM 767 HB2 GLN 47 -2.733 -50.142 1.302 1.00 74.44 ATOM 768 CG GLN 47 -4.501 -50.997 0.484 1.00 61.11 ATOM 769 HG1 GLN 47 -4.897 -50.019 0.249 1.00 36.35 ATOM 770 HG2 GLN 47 -5.304 -51.639 0.815 1.00 14.50 ATOM 771 CD GLN 47 -3.898 -51.594 -0.778 1.00 23.24 ATOM 772 OE1 GLN 47 -2.986 -52.413 -0.723 1.00 24.11 ATOM 773 NE2 GLN 47 -4.390 -51.179 -1.927 1.00 3.11 ATOM 774 HE21 GLN 47 -5.108 -50.513 -1.913 1.00 63.12 ATOM 775 HE22 GLN 47 -4.013 -51.554 -2.750 1.00 71.10 ATOM 776 C GLN 47 -5.109 -51.410 3.448 1.00 71.31 ATOM 777 O GLN 47 -6.319 -51.220 3.299 1.00 72.44 ATOM 778 N LYS 48 -4.624 -52.495 4.041 1.00 22.22 ATOM 779 HN LYS 48 -3.651 -52.577 4.165 1.00 36.35 ATOM 780 CA LYS 48 -5.497 -53.578 4.502 1.00 62.40 ATOM 781 HA LYS 48 -6.185 -53.794 3.697 1.00 30.32 ATOM 782 CB LYS 48 -4.668 -54.838 4.774 1.00 35.52 ATOM 783 HB1 LYS 48 -5.307 -55.594 5.210 1.00 36.35 ATOM 784 HB2 LYS 48 -3.880 -54.595 5.476 1.00 33.53 ATOM 785 CG LYS 48 -4.032 -55.414 3.512 1.00 45.41 ATOM 786 HG1 LYS 48 -3.418 -54.651 3.055 1.00 36.35 ATOM 787 HG2 LYS 48 -4.817 -55.698 2.825 1.00 43.51 ATOM 788 CD LYS 48 -3.167 -56.636 3.800 1.00 52.11 ATOM 789 HD1 LYS 48 -3.779 -57.402 4.255 1.00 36.35 ATOM 790 HD2 LYS 48 -2.375 -56.355 4.479 1.00 55.24 ATOM 791 CE LYS 48 -2.547 -57.190 2.522 1.00 14.42 ATOM 792 HE1 LYS 48 -1.979 -56.406 2.040 1.00 36.35 ATOM 793 HE2 LYS 48 -3.339 -57.514 1.862 1.00 43.43 ATOM 794 NZ LYS 48 -1.648 -58.341 2.791 1.00 51.12 ATOM 795 HZ1 LYS 48 -2.198 -59.162 3.116 1.00 45.33 ATOM 796 HZ2 LYS 48 -0.958 -58.091 3.525 1.00 12.11 ATOM 797 HZ3 LYS 48 -1.131 -58.604 1.928 1.00 51.02 ATOM 798 C LYS 48 -6.326 -53.186 5.739 1.00 23.32 ATOM 799 O LYS 48 -7.428 -53.698 5.936 1.00 43.23 ATOM 800 N ARG 49 -5.814 -52.271 6.566 1.00 10.25 ATOM 801 HN ARG 49 -4.913 -51.920 6.399 1.00 36.35 ATOM 802 CA ARG 49 -6.578 -51.794 7.735 1.00 2.31 ATOM 803 HA ARG 49 -7.230 -52.604 8.038 1.00 40.41 ATOM 804 CB ARG 49 -5.651 -51.455 8.919 1.00 72.32 ATOM 805 HB1 ARG 49 -5.129 -52.356 9.214 1.00 36.35 ATOM 806 HB2 ARG 49 -6.259 -51.123 9.747 1.00 31.22 ATOM 807 CG ARG 49 -4.610 -50.377 8.631 1.00 24.35 ATOM 808 HG1 ARG 49 -5.080 -49.571 8.086 1.00 36.35 ATOM 809 HG2 ARG 49 -3.819 -50.804 8.031 1.00 30.31 ATOM 810 CD ARG 49 -4.006 -49.816 9.919 1.00 3.02 ATOM 811 HD1 ARG 49 -3.167 -49.184 9.664 1.00 36.35 ATOM 812 HD2 ARG 49 -3.663 -50.637 10.533 1.00 50.41 ATOM 813 NE ARG 49 -4.979 -49.025 10.678 1.00 20.44 ATOM 814 HE ARG 49 -5.789 -48.742 10.214 1.00 4.14 ATOM 815 CZ ARG 49 -4.822 -48.652 11.923 1.00 12.43 ATOM 816 NH1 ARG 49 -3.801 -49.044 12.612 1.00 0.11 ATOM 817 HH11 ARG 49 -3.117 -49.640 12.200 1.00 0.04 ATOM 818 HH12 ARG 49 -3.705 -48.759 13.565 1.00 74.04 ATOM 819 NH2 ARG 49 -5.705 -47.898 12.489 1.00 53.54 ATOM 820 HH21 ARG 49 -6.512 -47.601 11.980 1.00 22.32 ATOM 821 HH22 ARG 49 -5.572 -47.602 13.434 1.00 14.44 ATOM 822 C ARG 49 -7.471 -50.584 7.388 1.00 3.42 ATOM 823 O ARG 49 -7.867 -49.822 8.270 1.00 54.44 ATOM 824 N GLY 50 -7.785 -50.417 6.102 1.00 45.13 ATOM 825 HN GLY 50 -7.352 -50.980 5.428 1.00 36.35 ATOM 826 CA GLY 50 -8.772 -49.419 5.685 1.00 10.12 ATOM 827 HA1 GLY 50 -9.534 -49.349 6.450 1.00 36.35 ATOM 828 HA2 GLY 50 -9.238 -49.765 4.775 1.00 55.54 ATOM 829 C GLY 50 -8.206 -48.021 5.429 1.00 2.21 ATOM 830 O GLY 50 -8.967 -47.063 5.275 1.00 40.32 ATOM 831 N THR 51 -6.882 -47.891 5.370 1.00 65.31 ATOM 832 HN THR 51 -6.316 -48.682 5.495 1.00 36.35 ATOM 833 CA THR 51 -6.246 -46.586 5.120 1.00 45.03 ATOM 834 HA THR 51 -6.990 -45.940 4.669 1.00 61.44 ATOM 835 CB THR 51 -5.777 -45.912 6.440 1.00 32.40 ATOM 836 HB THR 51 -6.653 -45.550 6.963 1.00 64.22 ATOM 837 OG1 THR 51 -4.922 -44.795 6.154 1.00 43.32 ATOM 838 HG1 THR 51 -4.097 -45.118 5.766 1.00 34.21 ATOM 839 CG2 THR 51 -5.046 -46.895 7.351 1.00 11.31 ATOM 840 HG21 THR 51 -4.770 -46.398 8.271 1.00 32.24 ATOM 841 HG22 THR 51 -4.154 -47.253 6.856 1.00 55.01 ATOM 842 HG23 THR 51 -5.693 -47.731 7.576 1.00 40.41 ATOM 843 C THR 51 -5.060 -46.697 4.149 1.00 43.21 ATOM 844 O THR 51 -3.918 -46.869 4.566 1.00 33.14 ATOM 845 N PRO 52 -5.321 -46.622 2.831 1.00 52.11 ATOM 846 CA PRO 52 -4.274 -46.704 1.804 1.00 25.44 ATOM 847 HA PRO 52 -3.481 -47.377 2.095 1.00 61.34 ATOM 848 CB PRO 52 -5.045 -47.299 0.627 1.00 23.44 ATOM 849 HB1 PRO 52 -5.072 -48.375 0.716 1.00 36.35 ATOM 850 HB2 PRO 52 -4.568 -47.022 -0.304 1.00 30.21 ATOM 851 CG PRO 52 -6.414 -46.707 0.744 1.00 40.02 ATOM 852 HG1 PRO 52 -7.145 -47.396 0.345 1.00 36.35 ATOM 853 HG2 PRO 52 -6.454 -45.770 0.206 1.00 52.02 ATOM 854 CD PRO 52 -6.660 -46.474 2.223 1.00 24.20 ATOM 855 HD1 PRO 52 -7.343 -47.215 2.614 1.00 36.35 ATOM 856 HD2 PRO 52 -7.049 -45.479 2.390 1.00 34.21 ATOM 857 C PRO 52 -3.673 -45.338 1.419 1.00 23.22 ATOM 858 O PRO 52 -4.159 -44.285 1.835 1.00 4.43 ATOM 859 N VAL 53 -2.611 -45.367 0.618 1.00 51.41 ATOM 860 HN VAL 53 -2.224 -46.236 0.371 1.00 36.35 ATOM 861 CA VAL 53 -1.996 -44.141 0.103 1.00 53.33 ATOM 862 HA VAL 53 -2.131 -43.362 0.843 1.00 33.25 ATOM 863 CB VAL 53 -0.472 -44.327 -0.133 1.00 61.23 ATOM 864 HB VAL 53 -0.340 -45.093 -0.885 1.00 24.03 ATOM 865 CG1 VAL 53 0.169 -43.038 -0.653 1.00 1.14 ATOM 866 HG11 VAL 53 0.008 -42.240 0.057 1.00 70.00 ATOM 867 HG12 VAL 53 -0.274 -42.771 -1.602 1.00 4.43 ATOM 868 HG13 VAL 53 1.232 -43.190 -0.786 1.00 71.41 ATOM 869 CG2 VAL 53 0.218 -44.798 1.147 1.00 65.43 ATOM 870 HG21 VAL 53 -0.204 -45.742 1.459 1.00 51.50 ATOM 871 HG22 VAL 53 0.075 -44.064 1.927 1.00 61.13 ATOM 872 HG23 VAL 53 1.276 -44.922 0.963 1.00 50.24 ATOM 873 C VAL 53 -2.667 -43.704 -1.211 1.00 42.03 ATOM 874 O VAL 53 -2.469 -44.326 -2.256 1.00 70.34 ATOM 875 N ASN 54 -3.477 -42.647 -1.147 1.00 34.32 ATOM 876 HN ASN 54 -3.617 -42.208 -0.282 1.00 36.35 ATOM 877 CA ASN 54 -4.174 -42.132 -2.334 1.00 14.54 ATOM 878 HA ASN 54 -4.604 -42.977 -2.857 1.00 12.21 ATOM 879 CB ASN 54 -5.303 -41.179 -1.922 1.00 35.33 ATOM 880 HB1 ASN 54 -5.832 -40.850 -2.806 1.00 36.35 ATOM 881 HB2 ASN 54 -4.878 -40.318 -1.426 1.00 63.31 ATOM 882 CG ASN 54 -6.302 -41.827 -0.980 1.00 34.24 ATOM 883 OD1 ASN 54 -6.176 -41.740 0.239 1.00 44.01 ATOM 884 ND2 ASN 54 -7.297 -42.483 -1.534 1.00 42.41 ATOM 885 HD21 ASN 54 -7.342 -42.518 -2.511 1.00 32.15 ATOM 886 HD22 ASN 54 -7.956 -42.906 -0.944 1.00 71.42 ATOM 887 C ASN 54 -3.204 -41.409 -3.282 1.00 53.22 ATOM 888 O ASN 54 -3.190 -41.657 -4.486 1.00 61.34 ATOM 889 N ARG 55 -2.408 -40.496 -2.728 1.00 34.14 ATOM 890 HN ARG 55 -2.492 -40.315 -1.769 1.00 36.35 ATOM 891 CA ARG 55 -1.398 -39.762 -3.502 1.00 54.34 ATOM 892 HA ARG 55 -1.225 -40.304 -4.422 1.00 13.11 ATOM 893 CB ARG 55 -1.882 -38.342 -3.842 1.00 10.13 ATOM 894 HB1 ARG 55 -1.061 -37.797 -4.289 1.00 36.35 ATOM 895 HB2 ARG 55 -2.168 -37.846 -2.925 1.00 54.31 ATOM 896 CG ARG 55 -3.069 -38.284 -4.801 1.00 3.33 ATOM 897 HG1 ARG 55 -3.924 -38.750 -4.332 1.00 36.35 ATOM 898 HG2 ARG 55 -2.816 -38.820 -5.705 1.00 32.11 ATOM 899 CD ARG 55 -3.422 -36.844 -5.164 1.00 21.13 ATOM 900 HD1 ARG 55 -2.573 -36.393 -5.660 1.00 36.35 ATOM 901 HD2 ARG 55 -3.637 -36.298 -4.257 1.00 41.53 ATOM 902 NE ARG 55 -4.585 -36.763 -6.047 1.00 0.51 ATOM 903 HE ARG 55 -5.173 -37.541 -6.096 1.00 65.22 ATOM 904 CZ ARG 55 -4.886 -35.713 -6.758 1.00 41.43 ATOM 905 NH1 ARG 55 -4.131 -34.665 -6.732 1.00 10.42 ATOM 906 HH11 ARG 55 -3.313 -34.655 -6.167 1.00 14.12 ATOM 907 HH12 ARG 55 -4.373 -33.867 -7.278 1.00 4.04 ATOM 908 NH2 ARG 55 -5.946 -35.710 -7.500 1.00 11.03 ATOM 909 HH21 ARG 55 -6.538 -36.514 -7.530 1.00 44.30 ATOM 910 HH22 ARG 55 -6.171 -34.899 -8.035 1.00 12.12 ATOM 911 C ARG 55 -0.073 -39.670 -2.731 1.00 53.32 ATOM 912 O ARG 55 -0.062 -39.587 -1.501 1.00 44.35 ATOM 913 N ILE 56 1.037 -39.678 -3.461 1.00 70.15 ATOM 914 HN ILE 56 0.968 -39.776 -4.433 1.00 36.35 ATOM 915 CA ILE 56 2.363 -39.539 -2.856 1.00 63.53 ATOM 916 HA ILE 56 2.336 -40.002 -1.878 1.00 11.21 ATOM 917 CB ILE 56 3.438 -40.261 -3.704 1.00 5.04 ATOM 918 HB ILE 56 3.468 -39.792 -4.679 1.00 41.22 ATOM 919 CG1 ILE 56 3.063 -41.745 -3.874 1.00 10.24 ATOM 920 HG11 ILE 56 2.061 -41.813 -4.276 1.00 36.35 ATOM 921 HG12 ILE 56 3.088 -42.230 -2.908 1.00 62.25 ATOM 922 CG2 ILE 56 4.822 -40.115 -3.064 1.00 74.40 ATOM 923 HG21 ILE 56 5.560 -40.614 -3.677 1.00 31.24 ATOM 924 HG22 ILE 56 4.816 -40.559 -2.079 1.00 4.35 ATOM 925 HG23 ILE 56 5.074 -39.067 -2.982 1.00 50.11 ATOM 926 CD1 ILE 56 3.986 -42.512 -4.796 1.00 4.23 ATOM 927 HD11 ILE 56 3.677 -43.547 -4.835 1.00 62.14 ATOM 928 HD12 ILE 56 4.997 -42.452 -4.425 1.00 14.54 ATOM 929 HD13 ILE 56 3.939 -42.086 -5.788 1.00 71.22 ATOM 930 C ILE 56 2.738 -38.054 -2.702 1.00 22.01 ATOM 931 O ILE 56 2.861 -37.334 -3.694 1.00 70.11 ATOM 932 N PRO 57 2.924 -37.576 -1.455 1.00 22.12 ATOM 933 CA PRO 57 3.207 -36.153 -1.186 1.00 21.11 ATOM 934 HA PRO 57 2.406 -35.525 -1.554 1.00 51.22 ATOM 935 CB PRO 57 3.241 -36.079 0.350 1.00 13.23 ATOM 936 HB1 PRO 57 2.279 -35.750 0.717 1.00 36.35 ATOM 937 HB2 PRO 57 4.007 -35.385 0.670 1.00 44.14 ATOM 938 CG PRO 57 3.542 -37.473 0.794 1.00 32.42 ATOM 939 HG1 PRO 57 3.132 -37.645 1.780 1.00 36.35 ATOM 940 HG2 PRO 57 4.612 -37.638 0.800 1.00 43.13 ATOM 941 CD PRO 57 2.879 -38.373 -0.212 1.00 74.31 ATOM 942 HD1 PRO 57 1.857 -38.576 0.076 1.00 36.35 ATOM 943 HD2 PRO 57 3.433 -39.295 -0.318 1.00 55.43 ATOM 944 C PRO 57 4.539 -35.664 -1.788 1.00 44.12 ATOM 945 O PRO 57 5.580 -36.312 -1.651 1.00 43.33 ATOM 946 N ILE 58 4.495 -34.510 -2.456 1.00 64.23 ATOM 947 HN ILE 58 3.635 -34.059 -2.563 1.00 36.35 ATOM 948 CA ILE 58 5.693 -33.901 -3.046 1.00 45.32 ATOM 949 HA ILE 58 6.529 -34.567 -2.879 1.00 50.54 ATOM 950 CB ILE 58 5.528 -33.693 -4.575 1.00 15.42 ATOM 951 HB ILE 58 4.777 -32.932 -4.729 1.00 71.14 ATOM 952 CG1 ILE 58 5.063 -34.991 -5.259 1.00 52.45 ATOM 953 HG11 ILE 58 4.955 -34.814 -6.319 1.00 36.35 ATOM 954 HG12 ILE 58 4.106 -35.281 -4.852 1.00 52.33 ATOM 955 CG2 ILE 58 6.833 -33.191 -5.199 1.00 23.40 ATOM 956 HG21 ILE 58 6.696 -33.052 -6.261 1.00 25.52 ATOM 957 HG22 ILE 58 7.619 -33.913 -5.029 1.00 12.41 ATOM 958 HG23 ILE 58 7.109 -32.248 -4.747 1.00 21.51 ATOM 959 CD1 ILE 58 6.008 -36.158 -5.080 1.00 65.05 ATOM 960 HD11 ILE 58 6.972 -35.911 -5.501 1.00 60.41 ATOM 961 HD12 ILE 58 5.607 -37.025 -5.583 1.00 13.14 ATOM 962 HD13 ILE 58 6.120 -36.372 -4.027 1.00 72.14 ATOM 963 C ILE 58 5.995 -32.544 -2.387 1.00 34.31 ATOM 964 O ILE 58 5.097 -31.720 -2.203 1.00 31.42 ATOM 965 N MET 59 7.259 -32.322 -2.037 1.00 61.22 ATOM 966 HN MET 59 7.932 -33.004 -2.242 1.00 36.35 ATOM 967 CA MET 59 7.682 -31.092 -1.356 1.00 33.34 ATOM 968 HA MET 59 6.845 -30.407 -1.342 1.00 61.43 ATOM 969 CB MET 59 8.084 -31.420 0.091 1.00 72.13 ATOM 970 HB1 MET 59 8.869 -32.165 0.073 1.00 36.35 ATOM 971 HB2 MET 59 7.226 -31.831 0.606 1.00 35.02 ATOM 972 CG MET 59 8.583 -30.219 0.883 1.00 0.55 ATOM 973 HG1 MET 59 9.391 -29.754 0.337 1.00 36.35 ATOM 974 HG2 MET 59 8.950 -30.561 1.839 1.00 4.43 ATOM 975 SD MET 59 7.300 -28.986 1.173 1.00 30.24 ATOM 976 CE MET 59 6.229 -29.867 2.306 1.00 4.42 ATOM 977 HE1 MET 59 6.778 -30.103 3.206 1.00 34.34 ATOM 978 HE2 MET 59 5.885 -30.780 1.843 1.00 41.34 ATOM 979 HE3 MET 59 5.379 -29.247 2.555 1.00 14.22 ATOM 980 C MET 59 8.862 -30.423 -2.087 1.00 41.12 ATOM 981 O MET 59 9.935 -31.015 -2.213 1.00 71.20 ATOM 982 N ALA 60 8.653 -29.192 -2.571 1.00 4.32 ATOM 983 HN ALA 60 7.755 -28.800 -2.497 1.00 36.35 ATOM 984 CA ALA 60 9.721 -28.400 -3.210 1.00 50.34 ATOM 985 HA ALA 60 9.274 -27.487 -3.579 1.00 4.54 ATOM 986 CB ALA 60 10.775 -28.015 -2.170 1.00 30.31 ATOM 987 HB1 ALA 60 11.524 -27.385 -2.628 1.00 32.41 ATOM 988 HB2 ALA 60 11.245 -28.909 -1.784 1.00 30.34 ATOM 989 HB3 ALA 60 10.302 -27.481 -1.358 1.00 23.42 ATOM 990 C ALA 60 10.371 -29.141 -4.397 1.00 1.34 ATOM 991 O ALA 60 11.597 -29.182 -4.519 1.00 72.40 ATOM 992 N LYS 61 9.534 -29.725 -5.265 1.00 2.30 ATOM 993 HN LYS 61 8.569 -29.656 -5.100 1.00 36.35 ATOM 994 CA LYS 61 9.993 -30.469 -6.460 1.00 70.13 ATOM 995 HA LYS 61 9.117 -30.654 -7.068 1.00 5.31 ATOM 996 CB LYS 61 10.991 -29.634 -7.291 1.00 43.03 ATOM 997 HB1 LYS 61 11.385 -30.254 -8.086 1.00 36.35 ATOM 998 HB2 LYS 61 11.808 -29.332 -6.652 1.00 42.50 ATOM 999 CG LYS 61 10.389 -28.379 -7.920 1.00 32.23 ATOM 1000 HG1 LYS 61 11.188 -27.771 -8.323 1.00 36.35 ATOM 1001 HG2 LYS 61 9.867 -27.821 -7.155 1.00 61.30 ATOM 1002 CD LYS 61 9.405 -28.712 -9.042 1.00 52.20 ATOM 1003 HD1 LYS 61 8.953 -27.794 -9.391 1.00 36.35 ATOM 1004 HD2 LYS 61 8.637 -29.363 -8.650 1.00 13.35 ATOM 1005 CE LYS 61 10.086 -29.407 -10.218 1.00 10.05 ATOM 1006 HE1 LYS 61 10.493 -30.350 -9.879 1.00 36.35 ATOM 1007 HE2 LYS 61 10.888 -28.778 -10.576 1.00 21.10 ATOM 1008 NZ LYS 61 9.139 -29.663 -11.338 1.00 2.34 ATOM 1009 HZ1 LYS 61 8.781 -28.764 -11.720 1.00 71.35 ATOM 1010 HZ2 LYS 61 8.333 -30.227 -11.005 1.00 12.33 ATOM 1011 HZ3 LYS 61 9.618 -30.183 -12.100 1.00 54.40 ATOM 1012 C LYS 61 10.622 -31.834 -6.109 1.00 73.32 ATOM 1013 O LYS 61 10.987 -32.600 -7.002 1.00 33.42 ATOM 1014 N GLN 62 10.733 -32.144 -4.821 1.00 61.24 ATOM 1015 HN GLN 62 10.451 -31.490 -4.147 1.00 36.35 ATOM 1016 CA GLN 62 11.268 -33.438 -4.375 1.00 61.42 ATOM 1017 HA GLN 62 11.756 -33.906 -5.221 1.00 62.53 ATOM 1018 CB GLN 62 12.305 -33.241 -3.252 1.00 1.01 ATOM 1019 HB1 GLN 62 11.924 -32.512 -2.551 1.00 36.35 ATOM 1020 HB2 GLN 62 13.219 -32.860 -3.686 1.00 44.33 ATOM 1021 CG GLN 62 12.642 -34.520 -2.474 1.00 70.13 ATOM 1022 HG1 GLN 62 11.720 -34.972 -2.135 1.00 36.35 ATOM 1023 HG2 GLN 62 13.238 -34.251 -1.614 1.00 63.34 ATOM 1024 CD GLN 62 13.417 -35.553 -3.284 1.00 62.33 ATOM 1025 OE1 GLN 62 13.355 -35.590 -4.508 1.00 20.23 ATOM 1026 NE2 GLN 62 14.121 -36.430 -2.598 1.00 13.02 ATOM 1027 HE21 GLN 62 14.102 -36.374 -1.621 1.00 12.30 ATOM 1028 HE22 GLN 62 14.624 -37.107 -3.094 1.00 11.40 ATOM 1029 C GLN 62 10.150 -34.362 -3.881 1.00 71.41 ATOM 1030 O GLN 62 9.253 -33.936 -3.152 1.00 22.41 ATOM 1031 N VAL 63 10.205 -35.624 -4.285 1.00 62.31 ATOM 1032 HN VAL 63 10.870 -35.883 -4.958 1.00 36.35 ATOM 1033 CA VAL 63 9.295 -36.634 -3.750 1.00 73.30 ATOM 1034 HA VAL 63 8.285 -36.260 -3.857 1.00 42.15 ATOM 1035 CB VAL 63 9.407 -37.969 -4.531 1.00 72.11 ATOM 1036 HB VAL 63 9.182 -37.765 -5.569 1.00 61.43 ATOM 1037 CG1 VAL 63 10.830 -38.528 -4.462 1.00 23.20 ATOM 1038 HG11 VAL 63 10.881 -39.458 -5.010 1.00 14.11 ATOM 1039 HG12 VAL 63 11.100 -38.705 -3.431 1.00 63.14 ATOM 1040 HG13 VAL 63 11.519 -37.817 -4.896 1.00 64.43 ATOM 1041 CG2 VAL 63 8.388 -38.988 -4.020 1.00 25.02 ATOM 1042 HG21 VAL 63 7.391 -38.584 -4.122 1.00 14.54 ATOM 1043 HG22 VAL 63 8.584 -39.206 -2.981 1.00 53.12 ATOM 1044 HG23 VAL 63 8.466 -39.899 -4.598 1.00 73.21 ATOM 1045 C VAL 63 9.582 -36.868 -2.257 1.00 60.42 ATOM 1046 O VAL 63 10.731 -37.063 -1.859 1.00 45.24 ATOM 1047 N LEU 64 8.544 -36.826 -1.429 1.00 73.31 ATOM 1048 HN LEU 64 7.643 -36.691 -1.790 1.00 36.35 ATOM 1049 CA LEU 64 8.728 -36.976 0.014 1.00 22.31 ATOM 1050 HA LEU 64 9.519 -36.302 0.311 1.00 44.24 ATOM 1051 CB LEU 64 7.445 -36.590 0.767 1.00 73.43 ATOM 1052 HB1 LEU 64 6.664 -37.284 0.486 1.00 36.35 ATOM 1053 HB2 LEU 64 7.149 -35.598 0.448 1.00 54.10 ATOM 1054 CG LEU 64 7.558 -36.591 2.303 1.00 55.41 ATOM 1055 HG LEU 64 7.853 -37.579 2.632 1.00 53.14 ATOM 1056 CD1 LEU 64 8.625 -35.604 2.774 1.00 73.34 ATOM 1057 HD11 LEU 64 8.349 -34.600 2.475 1.00 0.02 ATOM 1058 HD12 LEU 64 9.577 -35.861 2.334 1.00 71.43 ATOM 1059 HD13 LEU 64 8.706 -35.649 3.851 1.00 11.22 ATOM 1060 CD2 LEU 64 6.211 -36.266 2.943 1.00 11.14 ATOM 1061 HD21 LEU 64 6.321 -36.240 4.018 1.00 60.45 ATOM 1062 HD22 LEU 64 5.492 -37.026 2.676 1.00 20.43 ATOM 1063 HD23 LEU 64 5.865 -35.304 2.592 1.00 74.02 ATOM 1064 C LEU 64 9.147 -38.411 0.371 1.00 1.30 ATOM 1065 O LEU 64 8.320 -39.328 0.380 1.00 14.23 ATOM 1066 N ASP 65 10.442 -38.602 0.632 1.00 74.32 ATOM 1067 HN ASP 65 11.063 -37.849 0.531 1.00 36.35 ATOM 1068 CA ASP 65 10.973 -39.908 1.032 1.00 34.23 ATOM 1069 HA ASP 65 10.788 -40.604 0.225 1.00 74.34 ATOM 1070 CB ASP 65 12.486 -39.818 1.279 1.00 60.45 ATOM 1071 HB1 ASP 65 12.865 -40.805 1.508 1.00 36.35 ATOM 1072 HB2 ASP 65 12.662 -39.172 2.125 1.00 33.41 ATOM 1073 CG ASP 65 13.263 -39.269 0.096 1.00 2.10 ATOM 1074 OD1 ASP 65 13.702 -40.070 -0.754 1.00 73.21 ATOM 1075 OD2 ASP 65 13.469 -38.040 0.035 1.00 51.42 ATOM 1076 C ASP 65 10.284 -40.429 2.307 1.00 63.44 ATOM 1077 O ASP 65 10.797 -40.254 3.410 1.00 43.25 ATOM 1078 N LEU 66 9.116 -41.058 2.152 1.00 72.12 ATOM 1079 HN LEU 66 8.729 -41.120 1.252 1.00 36.35 ATOM 1080 CA LEU 66 8.371 -41.617 3.294 1.00 54.35 ATOM 1081 HA LEU 66 8.051 -40.788 3.910 1.00 0.21 ATOM 1082 CB LEU 66 7.127 -42.375 2.801 1.00 73.14 ATOM 1083 HB1 LEU 66 6.638 -42.821 3.656 1.00 36.35 ATOM 1084 HB2 LEU 66 7.454 -43.170 2.143 1.00 30.40 ATOM 1085 CG LEU 66 6.091 -41.519 2.050 1.00 65.44 ATOM 1086 HG LEU 66 6.557 -41.100 1.168 1.00 41.14 ATOM 1087 CD1 LEU 66 4.909 -42.371 1.590 1.00 34.12 ATOM 1088 HD11 LEU 66 4.414 -42.799 2.451 1.00 74.22 ATOM 1089 HD12 LEU 66 5.264 -43.165 0.949 1.00 1.32 ATOM 1090 HD13 LEU 66 4.211 -41.754 1.043 1.00 43.53 ATOM 1091 CD2 LEU 66 5.612 -40.359 2.923 1.00 23.00 ATOM 1092 HD21 LEU 66 6.456 -39.745 3.204 1.00 61.14 ATOM 1093 HD22 LEU 66 5.135 -40.745 3.812 1.00 35.11 ATOM 1094 HD23 LEU 66 4.903 -39.760 2.368 1.00 63.40 ATOM 1095 C LEU 66 9.255 -42.543 4.149 1.00 42.31 ATOM 1096 O LEU 66 9.147 -42.567 5.377 1.00 63.13 ATOM 1097 N PHE 67 10.135 -43.293 3.486 1.00 13.30 ATOM 1098 HN PHE 67 10.126 -43.269 2.508 1.00 36.35 ATOM 1099 CA PHE 67 11.110 -44.155 4.171 1.00 1.24 ATOM 1100 HA PHE 67 10.562 -44.910 4.717 1.00 51.42 ATOM 1101 CB PHE 67 12.005 -44.842 3.123 1.00 25.32 ATOM 1102 HB1 PHE 67 12.456 -44.084 2.496 1.00 36.35 ATOM 1103 HB2 PHE 67 11.392 -45.484 2.506 1.00 54.44 ATOM 1104 CG PHE 67 13.117 -45.689 3.700 1.00 24.12 ATOM 1105 CD1 PHE 67 12.884 -47.003 4.079 1.00 51.44 ATOM 1106 HD1 PHE 67 11.892 -47.418 3.966 1.00 62.23 ATOM 1107 CD2 PHE 67 14.397 -45.172 3.852 1.00 20.14 ATOM 1108 HD2 PHE 67 14.593 -44.148 3.562 1.00 51.22 ATOM 1109 CE1 PHE 67 13.899 -47.783 4.595 1.00 55.01 ATOM 1110 HE1 PHE 67 13.701 -48.806 4.884 1.00 11.32 ATOM 1111 CE2 PHE 67 15.416 -45.948 4.370 1.00 31.23 ATOM 1112 HE2 PHE 67 16.407 -45.532 4.484 1.00 53.43 ATOM 1113 CZ PHE 67 15.168 -47.255 4.741 1.00 25.04 ATOM 1114 HZ PHE 67 15.964 -47.864 5.145 1.00 63.52 ATOM 1115 C PHE 67 11.971 -43.345 5.159 1.00 30.34 ATOM 1116 O PHE 67 12.102 -43.699 6.334 1.00 2.25 ATOM 1117 N MET 68 12.534 -42.240 4.673 1.00 11.43 ATOM 1118 HN MET 68 12.359 -41.986 3.744 1.00 36.35 ATOM 1119 CA MET 68 13.396 -41.384 5.496 1.00 74.22 ATOM 1120 HA MET 68 14.090 -42.024 6.026 1.00 51.34 ATOM 1121 CB MET 68 14.189 -40.418 4.608 1.00 1.21 ATOM 1122 HB1 MET 68 14.833 -39.816 5.234 1.00 36.35 ATOM 1123 HB2 MET 68 13.496 -39.768 4.093 1.00 10.53 ATOM 1124 CG MET 68 15.053 -41.111 3.566 1.00 52.51 ATOM 1125 HG1 MET 68 15.551 -40.359 2.969 1.00 36.35 ATOM 1126 HG2 MET 68 14.416 -41.706 2.931 1.00 12.12 ATOM 1127 SD MET 68 16.303 -42.187 4.298 1.00 75.45 ATOM 1128 CE MET 68 17.278 -41.003 5.228 1.00 62.05 ATOM 1129 HE1 MET 68 17.683 -40.260 4.555 1.00 22.13 ATOM 1130 HE2 MET 68 18.087 -41.516 5.725 1.00 41.31 ATOM 1131 HE3 MET 68 16.652 -40.519 5.964 1.00 13.24 ATOM 1132 C MET 68 12.575 -40.595 6.522 1.00 30.41 ATOM 1133 O MET 68 13.003 -40.405 7.655 1.00 33.04 ATOM 1134 N LEU 69 11.391 -40.145 6.113 1.00 31.14 ATOM 1135 HN LEU 69 11.124 -40.299 5.186 1.00 36.35 ATOM 1136 CA LEU 69 10.476 -39.421 7.003 1.00 21.52 ATOM 1137 HA LEU 69 10.943 -38.483 7.269 1.00 34.14 ATOM 1138 CB LEU 69 9.152 -39.138 6.272 1.00 71.41 ATOM 1139 HB1 LEU 69 8.638 -40.078 6.133 1.00 36.35 ATOM 1140 HB2 LEU 69 9.386 -38.732 5.297 1.00 34.55 ATOM 1141 CG LEU 69 8.192 -38.167 6.982 1.00 71.33 ATOM 1142 HG LEU 69 8.027 -38.510 7.995 1.00 13.54 ATOM 1143 CD1 LEU 69 8.799 -36.770 7.057 1.00 54.25 ATOM 1144 HD11 LEU 69 9.730 -36.810 7.604 1.00 22.22 ATOM 1145 HD12 LEU 69 8.115 -36.106 7.566 1.00 42.50 ATOM 1146 HD13 LEU 69 8.984 -36.400 6.058 1.00 12.42 ATOM 1147 CD2 LEU 69 6.839 -38.133 6.271 1.00 35.40 ATOM 1148 HD21 LEU 69 6.402 -39.121 6.282 1.00 42.32 ATOM 1149 HD22 LEU 69 6.975 -37.812 5.248 1.00 52.31 ATOM 1150 HD23 LEU 69 6.180 -37.445 6.780 1.00 2.55 ATOM 1151 C LEU 69 10.211 -40.232 8.282 1.00 54.31 ATOM 1152 O LEU 69 10.269 -39.703 9.394 1.00 31.03 ATOM 1153 N TYR 70 9.942 -41.526 8.108 1.00 44.03 ATOM 1154 HN TYR 70 9.869 -41.875 7.194 1.00 36.35 ATOM 1155 CA TYR 70 9.740 -42.440 9.236 1.00 51.15 ATOM 1156 HA TYR 70 8.917 -42.061 9.824 1.00 71.13 ATOM 1157 CB TYR 70 9.376 -43.839 8.718 1.00 64.25 ATOM 1158 HB1 TYR 70 10.197 -44.219 8.126 1.00 36.35 ATOM 1159 HB2 TYR 70 8.496 -43.766 8.094 1.00 22.33 ATOM 1160 CG TYR 70 9.083 -44.845 9.818 1.00 41.45 ATOM 1161 CD1 TYR 70 7.923 -44.750 10.581 1.00 12.14 ATOM 1162 HD1 TYR 70 7.226 -43.948 10.381 1.00 32.24 ATOM 1163 CD2 TYR 70 9.963 -45.887 10.095 1.00 64.43 ATOM 1164 HD2 TYR 70 10.871 -45.977 9.515 1.00 71.32 ATOM 1165 CE1 TYR 70 7.652 -45.659 11.584 1.00 53.42 ATOM 1166 HE1 TYR 70 6.746 -45.568 12.164 1.00 22.14 ATOM 1167 CE2 TYR 70 9.696 -46.801 11.096 1.00 35.22 ATOM 1168 HE2 TYR 70 10.392 -47.605 11.294 1.00 52.35 ATOM 1169 CZ TYR 70 8.541 -46.683 11.837 1.00 41.53 ATOM 1170 OH TYR 70 8.274 -47.592 12.836 1.00 31.32 ATOM 1171 HH TYR 70 9.071 -47.738 13.352 1.00 52.35 ATOM 1172 C TYR 70 10.992 -42.512 10.128 1.00 13.30 ATOM 1173 O TYR 70 10.903 -42.404 11.353 1.00 10.21 ATOM 1174 N VAL 71 12.158 -42.691 9.505 1.00 4.11 ATOM 1175 HN VAL 71 12.166 -42.799 8.526 1.00 36.35 ATOM 1176 CA VAL 71 13.428 -42.741 10.245 1.00 30.41 ATOM 1177 HA VAL 71 13.385 -43.588 10.919 1.00 31.41 ATOM 1178 CB VAL 71 14.630 -42.946 9.285 1.00 11.43 ATOM 1179 HB VAL 71 14.674 -42.099 8.613 1.00 10.10 ATOM 1180 CG1 VAL 71 15.948 -43.005 10.060 1.00 4.23 ATOM 1181 HG11 VAL 71 16.769 -43.137 9.368 1.00 32.42 ATOM 1182 HG12 VAL 71 15.926 -43.835 10.751 1.00 62.22 ATOM 1183 HG13 VAL 71 16.086 -42.085 10.609 1.00 63.23 ATOM 1184 CG2 VAL 71 14.438 -44.206 8.444 1.00 34.42 ATOM 1185 HG21 VAL 71 13.528 -44.118 7.868 1.00 51.53 ATOM 1186 HG22 VAL 71 14.370 -45.068 9.093 1.00 53.34 ATOM 1187 HG23 VAL 71 15.277 -44.326 7.774 1.00 73.30 ATOM 1188 C VAL 71 13.657 -41.458 11.070 1.00 25.52 ATOM 1189 O VAL 71 13.799 -41.514 12.292 1.00 73.52 ATOM 1190 N LEU 72 13.644 -40.308 10.391 1.00 12.00 ATOM 1191 HN LEU 72 13.439 -40.332 9.434 1.00 36.35 ATOM 1192 CA LEU 72 13.927 -39.008 11.021 1.00 2.14 ATOM 1193 HA LEU 72 14.932 -39.058 11.415 1.00 70.22 ATOM 1194 CB LEU 72 13.875 -37.880 9.970 1.00 64.02 ATOM 1195 HB1 LEU 72 13.610 -36.959 10.471 1.00 36.35 ATOM 1196 HB2 LEU 72 13.091 -38.116 9.262 1.00 55.24 ATOM 1197 CG LEU 72 15.178 -37.636 9.181 1.00 45.34 ATOM 1198 HG LEU 72 15.005 -36.849 8.459 1.00 60.33 ATOM 1199 CD1 LEU 72 16.293 -37.167 10.115 1.00 44.21 ATOM 1200 HD11 LEU 72 15.989 -36.255 10.610 1.00 32.53 ATOM 1201 HD12 LEU 72 17.190 -36.980 9.544 1.00 54.44 ATOM 1202 HD13 LEU 72 16.492 -37.929 10.857 1.00 42.10 ATOM 1203 CD2 LEU 72 15.605 -38.889 8.414 1.00 15.15 ATOM 1204 HD21 LEU 72 15.763 -39.704 9.108 1.00 71.30 ATOM 1205 HD22 LEU 72 16.522 -38.691 7.879 1.00 61.44 ATOM 1206 HD23 LEU 72 14.833 -39.161 7.710 1.00 33.44 ATOM 1207 C LEU 72 12.974 -38.688 12.186 1.00 33.12 ATOM 1208 O LEU 72 13.393 -38.132 13.199 1.00 12.13 ATOM 1209 N VAL 73 11.695 -39.022 12.046 1.00 15.33 ATOM 1210 HN VAL 73 11.399 -39.457 11.216 1.00 36.35 ATOM 1211 CA VAL 73 10.721 -38.745 13.108 1.00 4.13 ATOM 1212 HA VAL 73 10.906 -37.738 13.462 1.00 22.14 ATOM 1213 CB VAL 73 9.267 -38.801 12.574 1.00 25.21 ATOM 1214 HB VAL 73 9.099 -39.783 12.151 1.00 71.20 ATOM 1215 CG1 VAL 73 8.259 -38.588 13.706 1.00 4.42 ATOM 1216 HG11 VAL 73 8.391 -39.356 14.456 1.00 23.11 ATOM 1217 HG12 VAL 73 7.254 -38.643 13.312 1.00 34.52 ATOM 1218 HG13 VAL 73 8.415 -37.617 14.154 1.00 13.34 ATOM 1219 CG2 VAL 73 9.062 -37.764 11.469 1.00 33.41 ATOM 1220 HG21 VAL 73 8.049 -37.831 11.094 1.00 73.43 ATOM 1221 HG22 VAL 73 9.755 -37.954 10.662 1.00 43.51 ATOM 1222 HG23 VAL 73 9.234 -36.774 11.864 1.00 3.51 ATOM 1223 C VAL 73 10.875 -39.711 14.298 1.00 62.41 ATOM 1224 O VAL 73 10.910 -39.285 15.457 1.00 31.21 ATOM 1225 N THR 74 10.987 -41.010 14.016 1.00 12.24 ATOM 1226 HN THR 74 10.990 -41.297 13.078 1.00 36.35 ATOM 1227 CA THR 74 11.091 -42.019 15.086 1.00 13.35 ATOM 1228 HA THR 74 10.282 -41.830 15.781 1.00 22.45 ATOM 1229 CB THR 74 10.924 -43.465 14.557 1.00 42.12 ATOM 1230 HB THR 74 11.016 -44.145 15.393 1.00 41.40 ATOM 1231 OG1 THR 74 11.944 -43.778 13.594 1.00 54.44 ATOM 1232 HG1 THR 74 11.856 -43.197 12.828 1.00 14.12 ATOM 1233 CG2 THR 74 9.547 -43.662 13.930 1.00 61.31 ATOM 1234 HG21 THR 74 9.442 -44.688 13.604 1.00 45.21 ATOM 1235 HG22 THR 74 9.440 -43.005 13.078 1.00 22.04 ATOM 1236 HG23 THR 74 8.781 -43.435 14.658 1.00 33.32 ATOM 1237 C THR 74 12.415 -41.923 15.862 1.00 0.41 ATOM 1238 O THR 74 12.442 -42.158 17.074 1.00 25.41 ATOM 1239 N GLU 75 13.509 -41.569 15.179 1.00 22.01 ATOM 1240 HN GLU 75 13.442 -41.417 14.211 1.00 36.35 ATOM 1241 CA GLU 75 14.816 -41.419 15.843 1.00 14.44 ATOM 1242 HA GLU 75 15.038 -42.352 16.342 1.00 31.13 ATOM 1243 CB GLU 75 15.932 -41.127 14.821 1.00 64.22 ATOM 1244 HB1 GLU 75 15.922 -41.903 14.067 1.00 36.35 ATOM 1245 HB2 GLU 75 16.885 -41.150 15.331 1.00 1.04 ATOM 1246 CG GLU 75 15.798 -39.778 14.118 1.00 32.31 ATOM 1247 HG1 GLU 75 15.643 -39.011 14.865 1.00 36.35 ATOM 1248 HG2 GLU 75 14.938 -39.814 13.465 1.00 73.11 ATOM 1249 CD GLU 75 17.020 -39.412 13.287 1.00 72.32 ATOM 1250 OE1 GLU 75 17.799 -38.531 13.718 1.00 42.43 ATOM 1251 OE2 GLU 75 17.213 -40.004 12.206 1.00 50.04 ATOM 1252 C GLU 75 14.781 -40.298 16.896 1.00 31.32 ATOM 1253 O GLU 75 15.513 -40.337 17.884 1.00 12.41 ATOM 1254 N LYS 76 13.924 -39.299 16.677 1.00 3.02 ATOM 1255 HN LYS 76 13.368 -39.320 15.868 1.00 36.35 ATOM 1256 CA LYS 76 13.796 -38.166 17.602 1.00 30.13 ATOM 1257 HA LYS 76 14.782 -37.935 17.979 1.00 53.52 ATOM 1258 CB LYS 76 13.250 -36.933 16.865 1.00 34.51 ATOM 1259 HB1 LYS 76 13.187 -36.109 17.563 1.00 36.35 ATOM 1260 HB2 LYS 76 12.255 -37.158 16.504 1.00 65.11 ATOM 1261 CG LYS 76 14.096 -36.483 15.672 1.00 51.11 ATOM 1262 HG1 LYS 76 13.585 -35.671 15.171 1.00 36.35 ATOM 1263 HG2 LYS 76 14.200 -37.314 14.989 1.00 30.02 ATOM 1264 CD LYS 76 15.489 -36.010 16.085 1.00 61.25 ATOM 1265 HD1 LYS 76 16.004 -36.820 16.583 1.00 36.35 ATOM 1266 HD2 LYS 76 15.390 -35.174 16.762 1.00 24.12 ATOM 1267 CE LYS 76 16.309 -35.569 14.874 1.00 50.01 ATOM 1268 HE1 LYS 76 15.757 -34.808 14.340 1.00 36.35 ATOM 1269 HE2 LYS 76 16.457 -36.421 14.225 1.00 30.52 ATOM 1270 NZ LYS 76 17.641 -35.021 15.254 1.00 64.41 ATOM 1271 HZ1 LYS 76 18.153 -34.706 14.402 1.00 71.42 ATOM 1272 HZ2 LYS 76 18.206 -35.750 15.730 1.00 2.42 ATOM 1273 HZ3 LYS 76 17.529 -34.209 15.896 1.00 33.24 ATOM 1274 C LYS 76 12.885 -38.503 18.798 1.00 31.42 ATOM 1275 O LYS 76 12.766 -37.712 19.732 1.00 50.05 ATOM 1276 N GLY 77 12.246 -39.676 18.768 1.00 2.13 ATOM 1277 HN GLY 77 12.386 -40.278 18.008 1.00 36.35 ATOM 1278 CA GLY 77 11.371 -40.084 19.869 1.00 14.33 ATOM 1279 HA1 GLY 77 11.408 -39.329 20.643 1.00 36.35 ATOM 1280 HA2 GLY 77 11.746 -41.010 20.277 1.00 74.31 ATOM 1281 C GLY 77 9.914 -40.294 19.462 1.00 64.33 ATOM 1282 O GLY 77 9.052 -40.510 20.318 1.00 23.42 ATOM 1283 N GLY 78 9.628 -40.228 18.163 1.00 31.31 ATOM 1284 HN GLY 78 10.336 -39.995 17.529 1.00 36.35 ATOM 1285 CA GLY 78 8.273 -40.481 17.674 1.00 32.53 ATOM 1286 HA1 GLY 78 7.718 -41.016 18.432 1.00 36.35 ATOM 1287 HA2 GLY 78 8.338 -41.103 16.792 1.00 4.34 ATOM 1288 C GLY 78 7.510 -39.210 17.317 1.00 34.31 ATOM 1289 O GLY 78 7.911 -38.109 17.699 1.00 23.54 ATOM 1290 N LEU 79 6.398 -39.371 16.597 1.00 1.31 ATOM 1291 HN LEU 79 6.119 -40.287 16.360 1.00 36.35 ATOM 1292 CA LEU 79 5.584 -38.240 16.119 1.00 14.33 ATOM 1293 HA LEU 79 6.129 -37.770 15.311 1.00 12.24 ATOM 1294 CB LEU 79 4.246 -38.759 15.566 1.00 54.32 ATOM 1295 HB1 LEU 79 3.742 -39.296 16.358 1.00 36.35 ATOM 1296 HB2 LEU 79 4.460 -39.456 14.767 1.00 32.13 ATOM 1297 CG LEU 79 3.281 -37.686 15.026 1.00 71.25 ATOM 1298 HG LEU 79 3.008 -37.022 15.834 1.00 33.25 ATOM 1299 CD1 LEU 79 3.948 -36.847 13.937 1.00 2.43 ATOM 1300 HD11 LEU 79 3.246 -36.114 13.564 1.00 5.20 ATOM 1301 HD12 LEU 79 4.262 -37.488 13.126 1.00 72.33 ATOM 1302 HD13 LEU 79 4.810 -36.340 14.347 1.00 20.42 ATOM 1303 CD2 LEU 79 1.999 -38.333 14.499 1.00 62.34 ATOM 1304 HD21 LEU 79 2.238 -38.993 13.678 1.00 1.33 ATOM 1305 HD22 LEU 79 1.320 -37.565 14.157 1.00 32.02 ATOM 1306 HD23 LEU 79 1.528 -38.900 15.291 1.00 52.41 ATOM 1307 C LEU 79 5.329 -37.183 17.213 1.00 61.33 ATOM 1308 O LEU 79 5.665 -36.009 17.045 1.00 71.23 ATOM 1309 N VAL 80 4.744 -37.604 18.331 1.00 74.20 ATOM 1310 HN VAL 80 4.547 -38.558 18.432 1.00 36.35 ATOM 1311 CA VAL 80 4.382 -36.678 19.415 1.00 62.53 ATOM 1312 HA VAL 80 3.710 -35.940 18.999 1.00 30.31 ATOM 1313 CB VAL 80 3.633 -37.410 20.552 1.00 73.41 ATOM 1314 HB VAL 80 4.288 -38.168 20.962 1.00 73.32 ATOM 1315 CG1 VAL 80 3.261 -36.442 21.678 1.00 41.05 ATOM 1316 HG11 VAL 80 2.623 -35.661 21.290 1.00 44.11 ATOM 1317 HG12 VAL 80 4.159 -36.000 22.087 1.00 63.21 ATOM 1318 HG13 VAL 80 2.739 -36.977 22.458 1.00 0.34 ATOM 1319 CG2 VAL 80 2.392 -38.104 19.997 1.00 62.43 ATOM 1320 HG21 VAL 80 2.685 -38.806 19.229 1.00 2.25 ATOM 1321 HG22 VAL 80 1.724 -37.369 19.573 1.00 23.14 ATOM 1322 HG23 VAL 80 1.886 -38.633 20.791 1.00 33.52 ATOM 1323 C VAL 80 5.606 -35.948 19.994 1.00 51.42 ATOM 1324 O VAL 80 5.579 -34.729 20.174 1.00 31.04 ATOM 1325 N GLU 81 6.675 -36.691 20.276 1.00 10.13 ATOM 1326 HN GLU 81 6.635 -37.659 20.130 1.00 36.35 ATOM 1327 CA GLU 81 7.912 -36.095 20.797 1.00 33.41 ATOM 1328 HA GLU 81 7.685 -35.647 21.756 1.00 2.12 ATOM 1329 CB GLU 81 8.989 -37.173 20.990 1.00 41.12 ATOM 1330 HB1 GLU 81 9.224 -37.604 20.025 1.00 36.35 ATOM 1331 HB2 GLU 81 8.592 -37.949 21.629 1.00 12.31 ATOM 1332 CG GLU 81 10.290 -36.658 21.613 1.00 42.22 ATOM 1333 HG1 GLU 81 10.579 -35.748 21.106 1.00 36.35 ATOM 1334 HG2 GLU 81 11.060 -37.403 21.467 1.00 64.22 ATOM 1335 CD GLU 81 10.175 -36.367 23.106 1.00 73.23 ATOM 1336 OE1 GLU 81 9.512 -35.380 23.484 1.00 63.42 ATOM 1337 OE2 GLU 81 10.763 -37.121 23.914 1.00 53.24 ATOM 1338 C GLU 81 8.428 -35.000 19.849 1.00 61.14 ATOM 1339 O GLU 81 8.825 -33.922 20.283 1.00 13.25 ATOM 1340 N VAL 82 8.400 -35.284 18.547 1.00 12.31 ATOM 1341 HN VAL 82 8.104 -36.177 18.263 1.00 36.35 ATOM 1342 CA VAL 82 8.805 -34.308 17.527 1.00 2.24 ATOM 1343 HA VAL 82 9.817 -33.999 17.751 1.00 63.12 ATOM 1344 CB VAL 82 8.792 -34.943 16.111 1.00 12.24 ATOM 1345 HB VAL 82 7.791 -35.302 15.909 1.00 43.34 ATOM 1346 CG1 VAL 82 9.153 -33.918 15.035 1.00 3.24 ATOM 1347 HG11 VAL 82 9.112 -34.386 14.062 1.00 40.34 ATOM 1348 HG12 VAL 82 10.151 -33.544 15.211 1.00 74.04 ATOM 1349 HG13 VAL 82 8.451 -33.096 15.067 1.00 61.41 ATOM 1350 CG2 VAL 82 9.743 -36.136 16.053 1.00 5.41 ATOM 1351 HG21 VAL 82 9.420 -36.890 16.756 1.00 13.45 ATOM 1352 HG22 VAL 82 10.743 -35.815 16.305 1.00 54.11 ATOM 1353 HG23 VAL 82 9.741 -36.552 15.055 1.00 62.41 ATOM 1354 C VAL 82 7.893 -33.067 17.543 1.00 52.31 ATOM 1355 O VAL 82 8.366 -31.929 17.442 1.00 72.44 ATOM 1356 N ILE 83 6.586 -33.295 17.682 1.00 3.01 ATOM 1357 HN ILE 83 6.272 -34.222 17.752 1.00 36.35 ATOM 1358 CA ILE 83 5.601 -32.206 17.729 1.00 45.05 ATOM 1359 HA ILE 83 5.742 -31.599 16.845 1.00 12.31 ATOM 1360 CB ILE 83 4.150 -32.760 17.707 1.00 15.32 ATOM 1361 HB ILE 83 4.026 -33.413 18.561 1.00 65.22 ATOM 1362 CG1 ILE 83 3.905 -33.571 16.424 1.00 65.42 ATOM 1363 HG11 ILE 83 4.646 -34.354 16.354 1.00 36.35 ATOM 1364 HG12 ILE 83 3.999 -32.920 15.568 1.00 42.14 ATOM 1365 CG2 ILE 83 3.127 -31.630 17.827 1.00 4.53 ATOM 1366 HG21 ILE 83 3.249 -30.940 17.003 1.00 71.55 ATOM 1367 HG22 ILE 83 3.276 -31.105 18.759 1.00 25.21 ATOM 1368 HG23 ILE 83 2.128 -32.042 17.807 1.00 70.32 ATOM 1369 CD1 ILE 83 2.537 -34.221 16.363 1.00 1.31 ATOM 1370 HD11 ILE 83 1.771 -33.459 16.383 1.00 24.53 ATOM 1371 HD12 ILE 83 2.413 -34.879 17.211 1.00 35.23 ATOM 1372 HD13 ILE 83 2.453 -34.793 15.451 1.00 61.01 ATOM 1373 C ILE 83 5.792 -31.315 18.972 1.00 14.41 ATOM 1374 O ILE 83 5.595 -30.102 18.908 1.00 52.43 ATOM 1375 N ASN 84 6.174 -31.925 20.095 1.00 10.42 ATOM 1376 HN ASN 84 6.290 -32.900 20.089 1.00 36.35 ATOM 1377 CA ASN 84 6.411 -31.188 21.349 1.00 22.04 ATOM 1378 HA ASN 84 5.690 -30.382 21.392 1.00 10.24 ATOM 1379 CB ASN 84 6.182 -32.112 22.553 1.00 51.51 ATOM 1380 HB1 ASN 84 6.537 -31.625 23.451 1.00 36.35 ATOM 1381 HB2 ASN 84 6.734 -33.030 22.406 1.00 34.04 ATOM 1382 CG ASN 84 4.713 -32.457 22.743 1.00 30.43 ATOM 1383 OD1 ASN 84 3.829 -31.654 22.460 1.00 64.40 ATOM 1384 ND2 ASN 84 4.436 -33.649 23.233 1.00 55.40 ATOM 1385 HD21 ASN 84 5.183 -34.244 23.452 1.00 61.01 ATOM 1386 HD22 ASN 84 3.497 -33.891 23.351 1.00 74.30 ATOM 1387 C ASN 84 7.824 -30.570 21.404 1.00 71.14 ATOM 1388 O ASN 84 8.033 -29.539 22.044 1.00 35.12 ATOM 1389 N LYS 85 8.790 -31.203 20.740 1.00 43.23 ATOM 1390 HN LYS 85 8.592 -32.067 20.320 1.00 36.35 ATOM 1391 CA LYS 85 10.150 -30.648 20.637 1.00 53.41 ATOM 1392 HA LYS 85 10.392 -30.196 21.588 1.00 30.32 ATOM 1393 CB LYS 85 11.170 -31.765 20.345 1.00 64.34 ATOM 1394 HB1 LYS 85 12.104 -31.312 20.039 1.00 36.35 ATOM 1395 HB2 LYS 85 10.796 -32.369 19.532 1.00 73.53 ATOM 1396 CG LYS 85 11.456 -32.696 21.530 1.00 13.54 ATOM 1397 HG1 LYS 85 11.666 -33.688 21.147 1.00 36.35 ATOM 1398 HG2 LYS 85 10.580 -32.739 22.160 1.00 23.24 ATOM 1399 CD LYS 85 12.651 -32.233 22.376 1.00 70.01 ATOM 1400 HD1 LYS 85 13.525 -32.180 21.741 1.00 36.35 ATOM 1401 HD2 LYS 85 12.825 -32.959 23.158 1.00 74.30 ATOM 1402 CE LYS 85 12.429 -30.868 23.025 1.00 22.11 ATOM 1403 HE1 LYS 85 11.562 -30.925 23.666 1.00 36.35 ATOM 1404 HE2 LYS 85 12.252 -30.137 22.249 1.00 32.32 ATOM 1405 NZ LYS 85 13.601 -30.432 23.834 1.00 53.23 ATOM 1406 HZ1 LYS 85 13.400 -29.520 24.295 1.00 32.45 ATOM 1407 HZ2 LYS 85 14.436 -30.322 23.226 1.00 13.03 ATOM 1408 HZ3 LYS 85 13.813 -31.137 24.568 1.00 45.24 ATOM 1409 C LYS 85 10.225 -29.559 19.551 1.00 0.24 ATOM 1410 O LYS 85 11.194 -28.805 19.479 1.00 3.13 ATOM 1411 N LYS 86 9.185 -29.495 18.711 1.00 33.35 ATOM 1412 HN LYS 86 8.481 -30.174 18.793 1.00 36.35 ATOM 1413 CA LYS 86 9.046 -28.461 17.665 1.00 13.04 ATOM 1414 HA LYS 86 8.153 -28.691 17.104 1.00 35.44 ATOM 1415 CB LYS 86 8.890 -27.046 18.286 1.00 12.15 ATOM 1416 HB1 LYS 86 8.262 -26.455 17.634 1.00 36.35 ATOM 1417 HB2 LYS 86 9.864 -26.581 18.339 1.00 14.30 ATOM 1418 CG LYS 86 8.279 -27.007 19.694 1.00 50.02 ATOM 1419 HG1 LYS 86 8.208 -25.975 20.007 1.00 36.35 ATOM 1420 HG2 LYS 86 8.937 -27.534 20.369 1.00 4.21 ATOM 1421 CD LYS 86 6.892 -27.644 19.772 1.00 63.12 ATOM 1422 HD1 LYS 86 6.724 -27.982 20.786 1.00 36.35 ATOM 1423 HD2 LYS 86 6.862 -28.494 19.107 1.00 23.31 ATOM 1424 CE LYS 86 5.771 -26.686 19.385 1.00 34.51 ATOM 1425 HE1 LYS 86 5.845 -25.799 20.000 1.00 36.35 ATOM 1426 HE2 LYS 86 4.824 -27.168 19.574 1.00 32.12 ATOM 1427 NZ LYS 86 5.819 -26.284 17.956 1.00 14.23 ATOM 1428 HZ1 LYS 86 6.695 -25.763 17.758 1.00 61.12 ATOM 1429 HZ2 LYS 86 5.009 -25.666 17.738 1.00 35.41 ATOM 1430 HZ3 LYS 86 5.773 -27.120 17.344 1.00 44.40 ATOM 1431 C LYS 86 10.246 -28.466 16.691 1.00 22.41 ATOM 1432 O LYS 86 10.480 -27.488 15.980 1.00 11.14 ATOM 1433 N LEU 87 10.977 -29.579 16.634 1.00 3.43 ATOM 1434 HN LEU 87 10.657 -30.380 17.097 1.00 36.35 ATOM 1435 CA LEU 87 12.256 -29.634 15.898 1.00 54.12 ATOM 1436 HA LEU 87 12.618 -28.618 15.811 1.00 33.41 ATOM 1437 CB LEU 87 13.296 -30.449 16.704 1.00 74.30 ATOM 1438 HB1 LEU 87 13.195 -30.175 17.745 1.00 36.35 ATOM 1439 HB2 LEU 87 14.280 -30.147 16.374 1.00 13.11 ATOM 1440 CG LEU 87 13.218 -31.993 16.606 1.00 24.44 ATOM 1441 HG LEU 87 13.471 -32.287 15.596 1.00 14.21 ATOM 1442 CD1 LEU 87 14.234 -32.647 17.539 1.00 12.02 ATOM 1443 HD11 LEU 87 14.179 -33.721 17.435 1.00 61.00 ATOM 1444 HD12 LEU 87 14.016 -32.373 18.560 1.00 13.30 ATOM 1445 HD13 LEU 87 15.229 -32.314 17.280 1.00 41.14 ATOM 1446 CD2 LEU 87 11.816 -32.509 16.899 1.00 53.22 ATOM 1447 HD21 LEU 87 11.141 -32.179 16.122 1.00 75.24 ATOM 1448 HD22 LEU 87 11.481 -32.127 17.850 1.00 25.53 ATOM 1449 HD23 LEU 87 11.826 -33.589 16.928 1.00 65.13 ATOM 1450 C LEU 87 12.100 -30.204 14.471 1.00 11.23 ATOM 1451 O LEU 87 13.021 -30.819 13.934 1.00 20.43 ATOM 1452 N TRP 88 10.956 -29.951 13.836 1.00 62.32 ATOM 1453 HN TRP 88 10.271 -29.417 14.287 1.00 36.35 ATOM 1454 CA TRP 88 10.699 -30.444 12.470 1.00 44.10 ATOM 1455 HA TRP 88 10.699 -31.526 12.518 1.00 42.42 ATOM 1456 CB TRP 88 9.321 -29.981 11.977 1.00 0.45 ATOM 1457 HB1 TRP 88 9.266 -30.109 10.905 1.00 36.35 ATOM 1458 HB2 TRP 88 9.194 -28.936 12.216 1.00 33.24 ATOM 1459 CG TRP 88 8.177 -30.739 12.592 1.00 74.12 ATOM 1460 CD1 TRP 88 7.373 -30.337 13.623 1.00 13.25 ATOM 1461 HD1 TRP 88 7.464 -29.388 14.132 1.00 72.14 ATOM 1462 CD2 TRP 88 7.715 -32.041 12.210 1.00 71.41 ATOM 1463 NE1 TRP 88 6.444 -31.310 13.902 1.00 22.12 ATOM 1464 HE1 TRP 88 5.758 -31.259 14.598 1.00 53.41 ATOM 1465 CE2 TRP 88 6.635 -32.367 13.050 1.00 23.22 ATOM 1466 CE3 TRP 88 8.111 -32.962 11.235 1.00 21.40 ATOM 1467 HE3 TRP 88 8.934 -32.749 10.567 1.00 41.24 ATOM 1468 CZ2 TRP 88 5.952 -33.577 12.947 1.00 74.34 ATOM 1469 HZ2 TRP 88 5.126 -33.825 13.597 1.00 73.43 ATOM 1470 CZ3 TRP 88 7.433 -34.162 11.136 1.00 71.55 ATOM 1471 HZ3 TRP 88 7.727 -34.886 10.389 1.00 24.32 ATOM 1472 CH2 TRP 88 6.364 -34.460 11.987 1.00 75.12 ATOM 1473 HH2 TRP 88 5.863 -35.409 11.873 1.00 1.44 ATOM 1474 C TRP 88 11.790 -30.009 11.465 1.00 21.22 ATOM 1475 O TRP 88 11.898 -30.577 10.374 1.00 40.22 ATOM 1476 N ARG 89 12.589 -29.002 11.830 1.00 53.02 ATOM 1477 HN ARG 89 12.393 -28.517 12.661 1.00 36.35 ATOM 1478 CA ARG 89 13.735 -28.584 11.009 1.00 2.53 ATOM 1479 HA ARG 89 13.353 -28.224 10.065 1.00 33.24 ATOM 1480 CB ARG 89 14.515 -27.452 11.699 1.00 74.33 ATOM 1481 HB1 ARG 89 13.821 -26.674 11.983 1.00 36.35 ATOM 1482 HB2 ARG 89 15.228 -27.044 10.996 1.00 10.15 ATOM 1483 CG ARG 89 15.272 -27.901 12.950 1.00 21.23 ATOM 1484 HG1 ARG 89 15.861 -28.773 12.705 1.00 36.35 ATOM 1485 HG2 ARG 89 14.556 -28.159 13.717 1.00 1.05 ATOM 1486 CD ARG 89 16.198 -26.820 13.490 1.00 3.42 ATOM 1487 HD1 ARG 89 15.599 -26.016 13.893 1.00 36.35 ATOM 1488 HD2 ARG 89 16.808 -26.445 12.680 1.00 63.54 ATOM 1489 NE ARG 89 17.074 -27.338 14.542 1.00 33.12 ATOM 1490 HE ARG 89 17.105 -28.311 14.665 1.00 20.24 ATOM 1491 CZ ARG 89 17.814 -26.593 15.316 1.00 44.13 ATOM 1492 NH1 ARG 89 17.822 -25.302 15.179 1.00 52.44 ATOM 1493 HH11 ARG 89 17.258 -24.872 14.479 1.00 74.21 ATOM 1494 HH12 ARG 89 18.397 -24.743 15.775 1.00 2.32 ATOM 1495 NH2 ARG 89 18.554 -27.141 16.226 1.00 11.23 ATOM 1496 HH21 ARG 89 18.558 -28.131 16.334 1.00 62.13 ATOM 1497 HH22 ARG 89 19.114 -26.567 16.823 1.00 25.11 ATOM 1498 C ARG 89 14.687 -29.766 10.741 1.00 12.43 ATOM 1499 O ARG 89 15.257 -29.891 9.654 1.00 15.22 ATOM 1500 N GLU 90 14.847 -30.623 11.753 1.00 14.01 ATOM 1501 HN GLU 90 14.371 -30.453 12.593 1.00 36.35 ATOM 1502 CA GLU 90 15.698 -31.815 11.657 1.00 13.21 ATOM 1503 HA GLU 90 16.710 -31.501 11.446 1.00 64.51 ATOM 1504 CB GLU 90 15.663 -32.588 12.988 1.00 54.34 ATOM 1505 HB1 GLU 90 16.374 -33.402 12.932 1.00 36.35 ATOM 1506 HB2 GLU 90 14.673 -33.004 13.119 1.00 14.14 ATOM 1507 CG GLU 90 15.991 -31.756 14.228 1.00 30.31 ATOM 1508 HG1 GLU 90 15.742 -32.335 15.107 1.00 36.35 ATOM 1509 HG2 GLU 90 15.385 -30.859 14.214 1.00 61.13 ATOM 1510 CD GLU 90 17.451 -31.356 14.314 1.00 63.21 ATOM 1511 OE1 GLU 90 17.758 -30.151 14.177 1.00 55.42 ATOM 1512 OE2 GLU 90 18.298 -32.251 14.532 1.00 1.45 ATOM 1513 C GLU 90 15.204 -32.735 10.534 1.00 3.14 ATOM 1514 O GLU 90 15.990 -33.330 9.795 1.00 63.14 ATOM 1515 N ILE 91 13.883 -32.822 10.414 1.00 54.12 ATOM 1516 HN ILE 91 13.322 -32.260 10.987 1.00 36.35 ATOM 1517 CA ILE 91 13.243 -33.711 9.448 1.00 41.25 ATOM 1518 HA ILE 91 13.656 -34.701 9.584 1.00 65.22 ATOM 1519 CB ILE 91 11.713 -33.783 9.688 1.00 25.22 ATOM 1520 HB ILE 91 11.283 -32.838 9.387 1.00 32.42 ATOM 1521 CG1 ILE 91 11.404 -34.016 11.181 1.00 23.11 ATOM 1522 HG11 ILE 91 10.332 -34.071 11.315 1.00 36.35 ATOM 1523 HG12 ILE 91 11.786 -33.183 11.757 1.00 30.41 ATOM 1524 CG2 ILE 91 11.081 -34.879 8.829 1.00 24.43 ATOM 1525 HG21 ILE 91 11.501 -35.839 9.096 1.00 63.15 ATOM 1526 HG22 ILE 91 11.277 -34.680 7.785 1.00 31.10 ATOM 1527 HG23 ILE 91 10.013 -34.896 8.995 1.00 41.14 ATOM 1528 CD1 ILE 91 12.007 -35.281 11.753 1.00 31.42 ATOM 1529 HD11 ILE 91 11.749 -35.363 12.799 1.00 31.23 ATOM 1530 HD12 ILE 91 13.082 -35.248 11.651 1.00 33.10 ATOM 1531 HD13 ILE 91 11.620 -36.137 11.220 1.00 61.44 ATOM 1532 C ILE 91 13.515 -33.251 8.008 1.00 74.34 ATOM 1533 O ILE 91 13.999 -34.024 7.182 1.00 73.24 ATOM 1534 N THR 92 13.214 -31.984 7.716 1.00 41.33 ATOM 1535 HN THR 92 12.818 -31.413 8.412 1.00 36.35 ATOM 1536 CA THR 92 13.471 -31.415 6.381 1.00 53.23 ATOM 1537 HA THR 92 12.908 -31.999 5.664 1.00 30.24 ATOM 1538 CB THR 92 13.006 -29.942 6.275 1.00 25.25 ATOM 1539 HB THR 92 13.480 -29.493 5.409 1.00 44.42 ATOM 1540 OG1 THR 92 13.404 -29.209 7.445 1.00 21.32 ATOM 1541 HG1 THR 92 12.644 -28.721 7.789 1.00 64.44 ATOM 1542 CG2 THR 92 11.496 -29.851 6.092 1.00 62.30 ATOM 1543 HG21 THR 92 11.212 -30.361 5.182 1.00 63.52 ATOM 1544 HG22 THR 92 11.203 -28.814 6.027 1.00 72.24 ATOM 1545 HG23 THR 92 11.001 -30.314 6.934 1.00 60.31 ATOM 1546 C THR 92 14.955 -31.485 6.009 1.00 2.33 ATOM 1547 O THR 92 15.310 -31.916 4.909 1.00 10.24 ATOM 1548 N LYS 93 15.820 -31.065 6.930 1.00 34.22 ATOM 1549 HN LYS 93 15.479 -30.712 7.782 1.00 36.35 ATOM 1550 CA LYS 93 17.266 -31.108 6.697 1.00 32.23 ATOM 1551 HA LYS 93 17.467 -30.540 5.799 1.00 64.13 ATOM 1552 CB LYS 93 18.016 -30.461 7.872 1.00 31.23 ATOM 1553 HB1 LYS 93 17.922 -31.101 8.740 1.00 36.35 ATOM 1554 HB2 LYS 93 17.558 -29.507 8.096 1.00 12.01 ATOM 1555 CG LYS 93 19.504 -30.230 7.609 1.00 21.22 ATOM 1556 HG1 LYS 93 19.989 -31.188 7.476 1.00 36.35 ATOM 1557 HG2 LYS 93 19.934 -29.723 8.462 1.00 20.32 ATOM 1558 CD LYS 93 19.733 -29.380 6.359 1.00 5.22 ATOM 1559 HD1 LYS 93 19.191 -28.449 6.464 1.00 36.35 ATOM 1560 HD2 LYS 93 19.362 -29.917 5.498 1.00 23.03 ATOM 1561 CE LYS 93 21.210 -29.069 6.141 1.00 11.13 ATOM 1562 HE1 LYS 93 21.765 -29.997 6.131 1.00 36.35 ATOM 1563 HE2 LYS 93 21.559 -28.451 6.955 1.00 70.31 ATOM 1564 NZ LYS 93 21.443 -28.354 4.857 1.00 74.15 ATOM 1565 HZ1 LYS 93 20.776 -27.562 4.760 1.00 50.32 ATOM 1566 HZ2 LYS 93 21.311 -29.001 4.053 1.00 43.53 ATOM 1567 HZ3 LYS 93 22.411 -27.978 4.827 1.00 21.40 ATOM 1568 C LYS 93 17.748 -32.554 6.481 1.00 2.44 ATOM 1569 O LYS 93 18.664 -32.804 5.693 1.00 15.13 ATOM 1570 N GLY 94 17.110 -33.501 7.172 1.00 22.54 ATOM 1571 HN GLY 94 16.408 -33.238 7.807 1.00 36.35 ATOM 1572 CA GLY 94 17.440 -34.914 7.010 1.00 14.43 ATOM 1573 HA1 GLY 94 16.947 -35.476 7.790 1.00 36.35 ATOM 1574 HA2 GLY 94 18.508 -35.037 7.116 1.00 35.54 ATOM 1575 C GLY 94 17.012 -35.479 5.655 1.00 11.11 ATOM 1576 O GLY 94 17.492 -36.532 5.234 1.00 60.35 ATOM 1577 N LEU 95 16.099 -34.782 4.977 1.00 33.21 ATOM 1578 HN LEU 95 15.713 -33.982 5.389 1.00 36.35 ATOM 1579 CA LEU 95 15.642 -35.181 3.638 1.00 50.31 ATOM 1580 HA LEU 95 15.851 -36.233 3.507 1.00 64.43 ATOM 1581 CB LEU 95 14.126 -34.949 3.512 1.00 64.43 ATOM 1582 HB1 LEU 95 13.799 -35.349 2.562 1.00 36.35 ATOM 1583 HB2 LEU 95 13.947 -33.882 3.510 1.00 33.23 ATOM 1584 CG LEU 95 13.266 -35.581 4.619 1.00 25.44 ATOM 1585 HG LEU 95 13.595 -35.201 5.576 1.00 32.52 ATOM 1586 CD1 LEU 95 11.797 -35.200 4.452 1.00 12.42 ATOM 1587 HD11 LEU 95 11.696 -34.124 4.499 1.00 32.21 ATOM 1588 HD12 LEU 95 11.215 -35.648 5.244 1.00 44.14 ATOM 1589 HD13 LEU 95 11.437 -35.554 3.497 1.00 53.22 ATOM 1590 CD2 LEU 95 13.430 -37.097 4.638 1.00 25.14 ATOM 1591 HD21 LEU 95 13.115 -37.509 3.690 1.00 72.45 ATOM 1592 HD22 LEU 95 12.826 -37.515 5.430 1.00 3.22 ATOM 1593 HD23 LEU 95 14.468 -37.346 4.813 1.00 53.35 ATOM 1594 C LEU 95 16.382 -34.389 2.544 1.00 11.14 ATOM 1595 O LEU 95 16.022 -34.455 1.366 1.00 3.40 ATOM 1596 N ASN 96 17.415 -33.642 2.953 1.00 45.25 ATOM 1597 HN ASN 96 17.665 -33.670 3.902 1.00 36.35 ATOM 1598 CA ASN 96 18.198 -32.784 2.045 1.00 52.44 ATOM 1599 HA ASN 96 19.033 -32.396 2.615 1.00 52.43 ATOM 1600 CB ASN 96 18.748 -33.609 0.863 1.00 71.04 ATOM 1601 HB1 ASN 96 17.923 -33.913 0.234 1.00 36.35 ATOM 1602 HB2 ASN 96 19.236 -34.491 1.250 1.00 63.51 ATOM 1603 CG ASN 96 19.754 -32.855 0.001 1.00 2.23 ATOM 1604 OD1 ASN 96 19.845 -33.073 -1.203 1.00 24.22 ATOM 1605 ND2 ASN 96 20.531 -31.977 0.607 1.00 10.33 ATOM 1606 HD21 ASN 96 20.429 -31.849 1.571 1.00 43.13 ATOM 1607 HD22 ASN 96 21.177 -31.486 0.061 1.00 72.12 ATOM 1608 C ASN 96 17.360 -31.586 1.545 1.00 4.43 ATOM 1609 O ASN 96 17.738 -30.892 0.603 1.00 34.32 ATOM 1610 N LEU 97 16.235 -31.329 2.212 1.00 35.10 ATOM 1611 HN LEU 97 16.005 -31.886 2.986 1.00 36.35 ATOM 1612 CA LEU 97 15.331 -30.235 1.829 1.00 11.01 ATOM 1613 HA LEU 97 15.396 -30.110 0.756 1.00 15.51 ATOM 1614 CB LEU 97 13.880 -30.586 2.200 1.00 13.30 ATOM 1615 HB1 LEU 97 13.236 -29.811 1.810 1.00 36.35 ATOM 1616 HB2 LEU 97 13.797 -30.586 3.280 1.00 43.14 ATOM 1617 CG LEU 97 13.370 -31.940 1.681 1.00 11.31 ATOM 1618 HG LEU 97 13.927 -32.729 2.164 1.00 41.10 ATOM 1619 CD1 LEU 97 11.898 -32.135 2.034 1.00 24.01 ATOM 1620 HD11 LEU 97 11.570 -33.107 1.693 1.00 31.15 ATOM 1621 HD12 LEU 97 11.305 -31.369 1.555 1.00 75.42 ATOM 1622 HD13 LEU 97 11.773 -32.069 3.106 1.00 62.55 ATOM 1623 CD2 LEU 97 13.590 -32.068 0.175 1.00 14.22 ATOM 1624 HD21 LEU 97 14.646 -31.999 -0.040 1.00 42.41 ATOM 1625 HD22 LEU 97 13.064 -31.277 -0.339 1.00 43.13 ATOM 1626 HD23 LEU 97 13.218 -33.025 -0.160 1.00 52.12 ATOM 1627 C LEU 97 15.720 -28.909 2.510 1.00 30.35 ATOM 1628 O LEU 97 16.290 -28.905 3.604 1.00 74.00 ATOM 1629 N PRO 98 15.403 -27.760 1.875 1.00 33.24 ATOM 1630 CA PRO 98 15.631 -26.442 2.483 1.00 41.45 ATOM 1631 HA PRO 98 16.662 -26.324 2.793 1.00 70.12 ATOM 1632 CB PRO 98 15.315 -25.459 1.344 1.00 21.40 ATOM 1633 HB1 PRO 98 16.230 -25.182 0.840 1.00 36.35 ATOM 1634 HB2 PRO 98 14.838 -24.574 1.744 1.00 51.41 ATOM 1635 CG PRO 98 14.400 -26.208 0.432 1.00 1.03 ATOM 1636 HG1 PRO 98 14.523 -25.855 -0.582 1.00 36.35 ATOM 1637 HG2 PRO 98 13.376 -26.076 0.752 1.00 75.10 ATOM 1638 CD PRO 98 14.798 -27.659 0.533 1.00 54.03 ATOM 1639 HD1 PRO 98 15.517 -27.912 -0.234 1.00 36.35 ATOM 1640 HD2 PRO 98 13.927 -28.297 0.460 1.00 31.33 ATOM 1641 C PRO 98 14.704 -26.216 3.690 1.00 63.34 ATOM 1642 O PRO 98 13.504 -25.994 3.535 1.00 31.43 ATOM 1643 N THR 99 15.269 -26.261 4.894 1.00 22.25 ATOM 1644 HN THR 99 16.249 -26.293 4.956 1.00 36.35 ATOM 1645 CA THR 99 14.469 -26.273 6.135 1.00 41.11 ATOM 1646 HA THR 99 13.755 -27.081 6.046 1.00 74.32 ATOM 1647 CB THR 99 15.355 -26.572 7.372 1.00 15.01 ATOM 1648 HB THR 99 15.957 -27.445 7.159 1.00 51.33 ATOM 1649 OG1 THR 99 14.530 -26.849 8.510 1.00 63.21 ATOM 1650 HG1 THR 99 14.389 -27.803 8.573 1.00 75.43 ATOM 1651 CG2 THR 99 16.289 -25.406 7.688 1.00 35.05 ATOM 1652 HG21 THR 99 16.942 -25.226 6.845 1.00 41.45 ATOM 1653 HG22 THR 99 16.884 -25.645 8.558 1.00 2.31 ATOM 1654 HG23 THR 99 15.706 -24.518 7.887 1.00 13.10 ATOM 1655 C THR 99 13.682 -24.966 6.376 1.00 52.32 ATOM 1656 O THR 99 13.043 -24.797 7.417 1.00 11.31 ATOM 1657 N SER 100 13.714 -24.050 5.408 1.00 70.44 ATOM 1658 HN SER 100 14.259 -24.221 4.615 1.00 36.35 ATOM 1659 CA SER 100 12.964 -22.786 5.499 1.00 52.00 ATOM 1660 HA SER 100 12.739 -22.604 6.541 1.00 14.40 ATOM 1661 CB SER 100 13.825 -21.625 4.970 1.00 60.13 ATOM 1662 HB1 SER 100 14.020 -21.775 3.917 1.00 36.35 ATOM 1663 HB2 SER 100 14.762 -21.606 5.506 1.00 20.12 ATOM 1664 OG SER 100 13.180 -20.370 5.141 1.00 44.03 ATOM 1665 HG SER 100 12.896 -20.280 6.061 1.00 14.41 ATOM 1666 C SER 100 11.636 -22.853 4.718 1.00 51.31 ATOM 1667 O SER 100 11.002 -21.829 4.467 1.00 63.32 ATOM 1668 N ILE 101 11.212 -24.064 4.346 1.00 30.04 ATOM 1669 HN ILE 101 11.750 -24.848 4.585 1.00 36.35 ATOM 1670 CA ILE 101 9.961 -24.258 3.593 1.00 35.41 ATOM 1671 HA ILE 101 10.064 -23.722 2.658 1.00 55.43 ATOM 1672 CB ILE 101 9.733 -25.756 3.258 1.00 55.50 ATOM 1673 HB ILE 101 9.860 -26.323 4.168 1.00 3.34 ATOM 1674 CG1 ILE 101 10.770 -26.235 2.228 1.00 31.32 ATOM 1675 HG11 ILE 101 11.757 -25.953 2.563 1.00 36.35 ATOM 1676 HG12 ILE 101 10.572 -25.762 1.276 1.00 11.30 ATOM 1677 CG2 ILE 101 8.311 -26.001 2.746 1.00 55.23 ATOM 1678 HG21 ILE 101 8.144 -25.420 1.850 1.00 13.13 ATOM 1679 HG22 ILE 101 7.599 -25.706 3.503 1.00 51.20 ATOM 1680 HG23 ILE 101 8.182 -27.051 2.523 1.00 13.20 ATOM 1681 CD1 ILE 101 10.767 -27.732 2.001 1.00 32.31 ATOM 1682 HD11 ILE 101 11.543 -27.990 1.296 1.00 70.24 ATOM 1683 HD12 ILE 101 9.808 -28.034 1.606 1.00 55.54 ATOM 1684 HD13 ILE 101 10.947 -28.240 2.937 1.00 74.24 ATOM 1685 C ILE 101 8.739 -23.692 4.345 1.00 14.10 ATOM 1686 O ILE 101 8.503 -24.022 5.509 1.00 31.15 ATOM 1687 N THR 102 7.962 -22.863 3.636 1.00 15.03 ATOM 1688 HN THR 102 8.183 -22.726 2.688 1.00 36.35 ATOM 1689 CA THR 102 6.811 -22.119 4.193 1.00 12.01 ATOM 1690 HA THR 102 7.199 -21.214 4.640 1.00 12.12 ATOM 1691 CB THR 102 5.831 -21.704 3.064 1.00 62.24 ATOM 1692 HB THR 102 5.419 -22.601 2.620 1.00 43.23 ATOM 1693 OG1 THR 102 6.530 -20.966 2.045 1.00 25.04 ATOM 1694 HG1 THR 102 6.067 -21.067 1.204 1.00 44.44 ATOM 1695 CG2 THR 102 4.682 -20.856 3.604 1.00 63.30 ATOM 1696 HG21 THR 102 4.021 -20.587 2.793 1.00 43.22 ATOM 1697 HG22 THR 102 5.076 -19.959 4.058 1.00 40.21 ATOM 1698 HG23 THR 102 4.131 -21.421 4.343 1.00 20.12 ATOM 1699 C THR 102 6.012 -22.889 5.268 1.00 23.54 ATOM 1700 O THR 102 5.797 -22.384 6.372 1.00 11.51 ATOM 1701 N SER 103 5.558 -24.097 4.943 1.00 12.43 ATOM 1702 HN SER 103 5.794 -24.478 4.073 1.00 36.35 ATOM 1703 CA SER 103 4.702 -24.870 5.864 1.00 12.43 ATOM 1704 HA SER 103 4.653 -24.334 6.800 1.00 21.11 ATOM 1705 CB SER 103 3.280 -24.990 5.291 1.00 51.14 ATOM 1706 HB1 SER 103 2.877 -24.000 5.127 1.00 36.35 ATOM 1707 HB2 SER 103 2.652 -25.518 5.995 1.00 53.12 ATOM 1708 OG SER 103 3.276 -25.694 4.057 1.00 23.51 ATOM 1709 HG SER 103 3.115 -26.634 4.223 1.00 61.21 ATOM 1710 C SER 103 5.261 -26.272 6.137 1.00 1.12 ATOM 1711 O SER 103 4.502 -27.206 6.386 1.00 73.24 ATOM 1712 N ALA 104 6.588 -26.401 6.138 1.00 20.52 ATOM 1713 HN ALA 104 7.144 -25.601 5.999 1.00 36.35 ATOM 1714 CA ALA 104 7.248 -27.703 6.338 1.00 22.24 ATOM 1715 HA ALA 104 7.077 -28.296 5.448 1.00 25.43 ATOM 1716 CB ALA 104 8.752 -27.509 6.486 1.00 74.24 ATOM 1717 HB1 ALA 104 9.132 -26.979 5.628 1.00 54.32 ATOM 1718 HB2 ALA 104 9.236 -28.472 6.557 1.00 2.34 ATOM 1719 HB3 ALA 104 8.956 -26.937 7.380 1.00 0.21 ATOM 1720 C ALA 104 6.690 -28.468 7.553 1.00 52.13 ATOM 1721 O ALA 104 6.094 -29.533 7.404 1.00 64.32 ATOM 1722 N ALA 105 6.877 -27.907 8.746 1.00 4.34 ATOM 1723 HN ALA 105 7.337 -27.044 8.794 1.00 36.35 ATOM 1724 CA ALA 105 6.429 -28.543 9.995 1.00 45.55 ATOM 1725 HA ALA 105 7.017 -29.437 10.138 1.00 62.01 ATOM 1726 CB ALA 105 6.701 -27.610 11.169 1.00 40.12 ATOM 1727 HB1 ALA 105 6.109 -26.713 11.063 1.00 5.54 ATOM 1728 HB2 ALA 105 7.749 -27.347 11.185 1.00 60.44 ATOM 1729 HB3 ALA 105 6.442 -28.106 12.094 1.00 75.32 ATOM 1730 C ALA 105 4.937 -28.930 9.965 1.00 44.13 ATOM 1731 O ALA 105 4.557 -30.032 10.365 1.00 53.42 ATOM 1732 N PHE 106 4.102 -28.014 9.484 1.00 3.12 ATOM 1733 HN PHE 106 4.471 -27.177 9.136 1.00 36.35 ATOM 1734 CA PHE 106 2.650 -28.217 9.455 1.00 31.34 ATOM 1735 HA PHE 106 2.335 -28.498 10.451 1.00 42.33 ATOM 1736 CB PHE 106 1.958 -26.899 9.069 1.00 43.24 ATOM 1737 HB1 PHE 106 2.188 -26.668 8.037 1.00 36.35 ATOM 1738 HB2 PHE 106 2.338 -26.106 9.698 1.00 32.30 ATOM 1739 CG PHE 106 0.456 -26.923 9.217 1.00 15.41 ATOM 1740 CD1 PHE 106 -0.364 -27.185 8.129 1.00 20.40 ATOM 1741 HD1 PHE 106 0.082 -27.374 7.164 1.00 23.41 ATOM 1742 CD2 PHE 106 -0.133 -26.683 10.451 1.00 23.34 ATOM 1743 HD2 PHE 106 0.496 -26.479 11.308 1.00 61.04 ATOM 1744 CE1 PHE 106 -1.739 -27.206 8.267 1.00 35.11 ATOM 1745 HE1 PHE 106 -2.366 -27.411 7.411 1.00 53.13 ATOM 1746 CE2 PHE 106 -1.507 -26.703 10.594 1.00 32.30 ATOM 1747 HE2 PHE 106 -1.952 -26.514 11.561 1.00 31.23 ATOM 1748 CZ PHE 106 -2.311 -26.965 9.501 1.00 22.40 ATOM 1749 HZ PHE 106 -3.385 -26.982 9.611 1.00 1.00 ATOM 1750 C PHE 106 2.251 -29.337 8.476 1.00 5.52 ATOM 1751 O PHE 106 1.417 -30.186 8.792 1.00 23.32 ATOM 1752 N THR 107 2.860 -29.333 7.293 1.00 23.44 ATOM 1753 HN THR 107 3.543 -28.654 7.114 1.00 36.35 ATOM 1754 CA THR 107 2.537 -30.312 6.247 1.00 54.01 ATOM 1755 HA THR 107 1.460 -30.389 6.189 1.00 51.35 ATOM 1756 CB THR 107 3.059 -29.849 4.862 1.00 1.24 ATOM 1757 HB THR 107 4.137 -29.785 4.905 1.00 42.53 ATOM 1758 OG1 THR 107 2.527 -28.551 4.543 1.00 74.11 ATOM 1759 HG1 THR 107 1.573 -28.618 4.410 1.00 24.11 ATOM 1760 CG2 THR 107 2.673 -30.839 3.763 1.00 1.14 ATOM 1761 HG21 THR 107 1.597 -30.919 3.710 1.00 74.33 ATOM 1762 HG22 THR 107 3.094 -31.810 3.985 1.00 74.15 ATOM 1763 HG23 THR 107 3.057 -30.492 2.815 1.00 12.21 ATOM 1764 C THR 107 3.111 -31.705 6.560 1.00 11.51 ATOM 1765 O THR 107 2.410 -32.712 6.443 1.00 64.14 ATOM 1766 N LEU 108 4.386 -31.760 6.957 1.00 33.12 ATOM 1767 HN LEU 108 4.895 -30.925 7.041 1.00 36.35 ATOM 1768 CA LEU 108 5.044 -33.038 7.280 1.00 24.43 ATOM 1769 HA LEU 108 5.027 -33.648 6.386 1.00 44.43 ATOM 1770 CB LEU 108 6.505 -32.810 7.695 1.00 11.34 ATOM 1771 HB1 LEU 108 6.914 -33.753 8.030 1.00 36.35 ATOM 1772 HB2 LEU 108 6.514 -32.120 8.528 1.00 41.44 ATOM 1773 CG LEU 108 7.426 -32.251 6.597 1.00 20.20 ATOM 1774 HG LEU 108 7.060 -31.281 6.295 1.00 63.45 ATOM 1775 CD1 LEU 108 8.847 -32.065 7.127 1.00 70.41 ATOM 1776 HD11 LEU 108 8.837 -31.358 7.945 1.00 71.22 ATOM 1777 HD12 LEU 108 9.480 -31.689 6.337 1.00 20.53 ATOM 1778 HD13 LEU 108 9.232 -33.013 7.476 1.00 33.54 ATOM 1779 CD2 LEU 108 7.421 -33.158 5.368 1.00 44.15 ATOM 1780 HD21 LEU 108 8.064 -32.740 4.607 1.00 33.22 ATOM 1781 HD22 LEU 108 6.415 -33.236 4.981 1.00 13.13 ATOM 1782 HD23 LEU 108 7.778 -34.142 5.640 1.00 11.03 ATOM 1783 C LEU 108 4.301 -33.787 8.395 1.00 73.21 ATOM 1784 O LEU 108 4.110 -35.001 8.320 1.00 13.24 ATOM 1785 N ARG 109 3.885 -33.051 9.426 1.00 12.34 ATOM 1786 HN ARG 109 4.108 -32.095 9.447 1.00 36.35 ATOM 1787 CA ARG 109 3.113 -33.628 10.533 1.00 23.43 ATOM 1788 HA ARG 109 3.740 -34.359 11.026 1.00 21.44 ATOM 1789 CB ARG 109 2.739 -32.531 11.544 1.00 30.52 ATOM 1790 HB1 ARG 109 2.135 -31.788 11.043 1.00 36.35 ATOM 1791 HB2 ARG 109 3.648 -32.058 11.893 1.00 2.35 ATOM 1792 CG ARG 109 1.967 -33.034 12.762 1.00 2.45 ATOM 1793 HG1 ARG 109 2.599 -33.708 13.323 1.00 36.35 ATOM 1794 HG2 ARG 109 1.084 -33.561 12.428 1.00 32.33 ATOM 1795 CD ARG 109 1.541 -31.884 13.669 1.00 51.23 ATOM 1796 HD1 ARG 109 2.423 -31.348 13.994 1.00 36.35 ATOM 1797 HD2 ARG 109 1.032 -32.291 14.532 1.00 31.22 ATOM 1798 NE ARG 109 0.642 -30.957 12.981 1.00 13.34 ATOM 1799 HE ARG 109 0.071 -31.323 12.271 1.00 72.13 ATOM 1800 CZ ARG 109 0.547 -29.682 13.241 1.00 13.41 ATOM 1801 NH1 ARG 109 1.282 -29.132 14.162 1.00 15.33 ATOM 1802 HH11 ARG 109 1.926 -29.687 14.680 1.00 51.31 ATOM 1803 HH12 ARG 109 1.204 -28.157 14.345 1.00 42.02 ATOM 1804 NH2 ARG 109 -0.286 -28.961 12.565 1.00 50.34 ATOM 1805 HH21 ARG 109 -0.846 -29.391 11.851 1.00 53.33 ATOM 1806 HH22 ARG 109 -0.366 -27.988 12.745 1.00 54.01 ATOM 1807 C ARG 109 1.843 -34.329 10.020 1.00 72.33 ATOM 1808 O ARG 109 1.526 -35.447 10.433 1.00 51.34 ATOM 1809 N THR 110 1.129 -33.665 9.110 1.00 2.12 ATOM 1810 HN THR 110 1.424 -32.770 8.833 1.00 36.35 ATOM 1811 CA THR 110 -0.090 -34.229 8.513 1.00 61.34 ATOM 1812 HA THR 110 -0.762 -34.492 9.319 1.00 42.44 ATOM 1813 CB THR 110 -0.808 -33.200 7.602 1.00 62.40 ATOM 1814 HB THR 110 -0.141 -32.935 6.792 1.00 24.54 ATOM 1815 OG1 THR 110 -1.129 -32.012 8.343 1.00 4.31 ATOM 1816 HG1 THR 110 -1.580 -31.390 7.760 1.00 2.34 ATOM 1817 CG2 THR 110 -2.088 -33.786 7.005 1.00 0.10 ATOM 1818 HG21 THR 110 -2.563 -33.048 6.374 1.00 70.52 ATOM 1819 HG22 THR 110 -2.764 -34.065 7.801 1.00 45.03 ATOM 1820 HG23 THR 110 -1.847 -34.660 6.416 1.00 31.24 ATOM 1821 C THR 110 0.216 -35.491 7.687 1.00 55.42 ATOM 1822 O THR 110 -0.382 -36.544 7.902 1.00 65.33 ATOM 1823 N GLN 111 1.161 -35.382 6.750 1.00 73.31 ATOM 1824 HN GLN 111 1.645 -34.533 6.659 1.00 36.35 ATOM 1825 CA GLN 111 1.503 -36.503 5.858 1.00 30.14 ATOM 1826 HA GLN 111 0.607 -36.767 5.311 1.00 51.31 ATOM 1827 CB GLN 111 2.586 -36.080 4.853 1.00 42.41 ATOM 1828 HB1 GLN 111 2.740 -36.884 4.146 1.00 36.35 ATOM 1829 HB2 GLN 111 3.509 -35.904 5.389 1.00 61.22 ATOM 1830 CG GLN 111 2.241 -34.815 4.070 1.00 12.44 ATOM 1831 HG1 GLN 111 3.025 -34.630 3.349 1.00 36.35 ATOM 1832 HG2 GLN 111 2.190 -33.986 4.760 1.00 70.52 ATOM 1833 CD GLN 111 0.914 -34.908 3.328 1.00 12.11 ATOM 1834 OE1 GLN 111 0.497 -35.975 2.889 1.00 43.30 ATOM 1835 NE2 GLN 111 0.237 -33.783 3.189 1.00 1.11 ATOM 1836 HE21 GLN 111 0.619 -32.964 3.560 1.00 73.55 ATOM 1837 HE22 GLN 111 -0.628 -33.821 2.729 1.00 42.30 ATOM 1838 C GLN 111 1.970 -37.734 6.654 1.00 2.34 ATOM 1839 O GLN 111 1.559 -38.864 6.374 1.00 61.11 ATOM 1840 N TYR 112 2.826 -37.506 7.649 1.00 2.11 ATOM 1841 HN TYR 112 3.167 -36.596 7.785 1.00 36.35 ATOM 1842 CA TYR 112 3.274 -38.575 8.547 1.00 30.21 ATOM 1843 HA TYR 112 3.758 -39.335 7.950 1.00 60.25 ATOM 1844 CB TYR 112 4.278 -38.018 9.566 1.00 5.52 ATOM 1845 HB1 TYR 112 3.767 -37.321 10.218 1.00 36.35 ATOM 1846 HB2 TYR 112 5.058 -37.490 9.036 1.00 72.30 ATOM 1847 CG TYR 112 4.941 -39.072 10.438 1.00 10.03 ATOM 1848 CD1 TYR 112 4.385 -39.462 11.653 1.00 4.13 ATOM 1849 HD1 TYR 112 3.456 -39.014 11.972 1.00 71.30 ATOM 1850 CD2 TYR 112 6.137 -39.665 10.050 1.00 62.22 ATOM 1851 HD2 TYR 112 6.584 -39.380 9.109 1.00 54.15 ATOM 1852 CE1 TYR 112 5.002 -40.407 12.452 1.00 15.13 ATOM 1853 HE1 TYR 112 4.553 -40.696 13.391 1.00 55.32 ATOM 1854 CE2 TYR 112 6.754 -40.613 10.842 1.00 55.32 ATOM 1855 HE2 TYR 112 7.680 -41.058 10.522 1.00 23.11 ATOM 1856 CZ TYR 112 6.187 -40.978 12.043 1.00 22.01 ATOM 1857 OH TYR 112 6.814 -41.915 12.836 1.00 54.23 ATOM 1858 HH TYR 112 6.187 -42.266 13.483 1.00 72.13 ATOM 1859 C TYR 112 2.073 -39.197 9.274 1.00 23.14 ATOM 1860 O TYR 112 1.942 -40.421 9.359 1.00 41.43 ATOM 1861 N MET 113 1.187 -38.334 9.771 1.00 54.21 ATOM 1862 HN MET 113 1.353 -37.373 9.660 1.00 36.35 ATOM 1863 CA MET 113 -0.022 -38.765 10.482 1.00 33.31 ATOM 1864 HA MET 113 0.287 -39.391 11.306 1.00 75.34 ATOM 1865 CB MET 113 -0.764 -37.543 11.040 1.00 73.33 ATOM 1866 HB1 MET 113 -1.138 -36.956 10.212 1.00 36.35 ATOM 1867 HB2 MET 113 -0.065 -36.940 11.603 1.00 11.41 ATOM 1868 CG MET 113 -1.937 -37.878 11.952 1.00 15.00 ATOM 1869 HG1 MET 113 -1.571 -38.433 12.805 1.00 36.35 ATOM 1870 HG2 MET 113 -2.644 -38.486 11.405 1.00 11.50 ATOM 1871 SD MET 113 -2.782 -36.399 12.544 1.00 52.34 ATOM 1872 CE MET 113 -1.412 -35.495 13.268 1.00 63.31 ATOM 1873 HE1 MET 113 -0.953 -36.093 14.042 1.00 31.11 ATOM 1874 HE2 MET 113 -1.775 -34.572 13.695 1.00 21.41 ATOM 1875 HE3 MET 113 -0.680 -35.274 12.505 1.00 44.45 ATOM 1876 C MET 113 -0.960 -39.573 9.569 1.00 71.35 ATOM 1877 O MET 113 -1.694 -40.448 10.033 1.00 50.53 ATOM 1878 N LYS 114 -0.941 -39.268 8.274 1.00 71.54 ATOM 1879 HN LYS 114 -0.371 -38.530 7.968 1.00 36.35 ATOM 1880 CA LYS 114 -1.765 -39.989 7.296 1.00 72.34 ATOM 1881 HA LYS 114 -2.769 -40.047 7.688 1.00 71.20 ATOM 1882 CB LYS 114 -1.800 -39.246 5.951 1.00 33.24 ATOM 1883 HB1 LYS 114 -2.289 -39.880 5.223 1.00 36.35 ATOM 1884 HB2 LYS 114 -0.784 -39.072 5.627 1.00 32.54 ATOM 1885 CG LYS 114 -2.522 -37.903 5.972 1.00 70.12 ATOM 1886 HG1 LYS 114 -1.977 -37.219 6.606 1.00 36.35 ATOM 1887 HG2 LYS 114 -3.519 -38.046 6.366 1.00 41.50 ATOM 1888 CD LYS 114 -2.618 -37.312 4.565 1.00 32.01 ATOM 1889 HD1 LYS 114 -1.621 -37.135 4.189 1.00 36.35 ATOM 1890 HD2 LYS 114 -3.158 -36.377 4.612 1.00 1.44 ATOM 1891 CE LYS 114 -3.347 -38.260 3.616 1.00 31.02 ATOM 1892 HE1 LYS 114 -4.379 -38.339 3.928 1.00 36.35 ATOM 1893 HE2 LYS 114 -2.884 -39.234 3.673 1.00 25.14 ATOM 1894 NZ LYS 114 -3.305 -37.802 2.204 1.00 20.22 ATOM 1895 HZ1 LYS 114 -2.318 -37.729 1.880 1.00 32.12 ATOM 1896 HZ2 LYS 114 -3.759 -36.872 2.112 1.00 41.12 ATOM 1897 HZ3 LYS 114 -3.804 -38.483 1.596 1.00 22.12 ATOM 1898 C LYS 114 -1.250 -41.413 7.045 1.00 62.31 ATOM 1899 O LYS 114 -2.007 -42.382 7.125 1.00 52.52 ATOM 1900 N TYR 115 0.040 -41.528 6.737 1.00 10.10 ATOM 1901 HN TYR 115 0.625 -40.747 6.838 1.00 36.35 ATOM 1902 CA TYR 115 0.601 -42.791 6.237 1.00 14.43 ATOM 1903 HA TYR 115 -0.224 -43.427 5.952 1.00 71.15 ATOM 1904 CB TYR 115 1.455 -42.514 4.988 1.00 4.42 ATOM 1905 HB1 TYR 115 1.662 -43.450 4.488 1.00 36.35 ATOM 1906 HB2 TYR 115 2.390 -42.064 5.293 1.00 3.45 ATOM 1907 CG TYR 115 0.794 -41.580 3.980 1.00 71.01 ATOM 1908 CD1 TYR 115 -0.421 -41.906 3.384 1.00 31.54 ATOM 1909 HD1 TYR 115 -0.900 -42.836 3.644 1.00 74.32 ATOM 1910 CD2 TYR 115 1.390 -40.372 3.626 1.00 42.12 ATOM 1911 HD2 TYR 115 2.335 -40.102 4.077 1.00 10.21 ATOM 1912 CE1 TYR 115 -1.022 -41.059 2.472 1.00 21.11 ATOM 1913 HE1 TYR 115 -1.966 -41.334 2.024 1.00 2.34 ATOM 1914 CE2 TYR 115 0.793 -39.520 2.714 1.00 23.41 ATOM 1915 HE2 TYR 115 1.272 -38.585 2.456 1.00 74.21 ATOM 1916 CZ TYR 115 -0.414 -39.868 2.139 1.00 53.14 ATOM 1917 OH TYR 115 -1.017 -39.024 1.230 1.00 23.04 ATOM 1918 HH TYR 115 -0.402 -38.838 0.508 1.00 23.54 ATOM 1919 C TYR 115 1.446 -43.534 7.288 1.00 1.22 ATOM 1920 O TYR 115 1.244 -44.724 7.534 1.00 42.04 ATOM 1921 N LEU 116 2.383 -42.828 7.918 1.00 14.45 ATOM 1922 HN LEU 116 2.403 -41.854 7.806 1.00 36.35 ATOM 1923 CA LEU 116 3.385 -43.473 8.781 1.00 23.04 ATOM 1924 HA LEU 116 3.542 -44.473 8.401 1.00 20.11 ATOM 1925 CB LEU 116 4.711 -42.709 8.682 1.00 64.24 ATOM 1926 HB1 LEU 116 5.430 -43.182 9.339 1.00 36.35 ATOM 1927 HB2 LEU 116 4.546 -41.696 9.026 1.00 15.34 ATOM 1928 CG LEU 116 5.319 -42.646 7.267 1.00 24.54 ATOM 1929 HG LEU 116 4.594 -42.209 6.594 1.00 71.14 ATOM 1930 CD1 LEU 116 6.561 -41.762 7.249 1.00 33.12 ATOM 1931 HD11 LEU 116 7.307 -42.169 7.917 1.00 31.33 ATOM 1932 HD12 LEU 116 6.298 -40.765 7.571 1.00 74.44 ATOM 1933 HD13 LEU 116 6.960 -41.720 6.246 1.00 24.20 ATOM 1934 CD2 LEU 116 5.648 -44.049 6.756 1.00 65.45 ATOM 1935 HD21 LEU 116 4.747 -44.645 6.733 1.00 61.44 ATOM 1936 HD22 LEU 116 6.370 -44.515 7.412 1.00 34.13 ATOM 1937 HD23 LEU 116 6.060 -43.984 5.758 1.00 30.51 ATOM 1938 C LEU 116 2.940 -43.585 10.251 1.00 54.23 ATOM 1939 O LEU 116 3.557 -44.309 11.032 1.00 43.13 ATOM 1940 N TYR 117 1.869 -42.888 10.625 1.00 72.42 ATOM 1941 HN TYR 117 1.410 -42.331 9.963 1.00 36.35 ATOM 1942 CA TYR 117 1.365 -42.925 12.009 1.00 23.02 ATOM 1943 HA TYR 117 2.183 -42.611 12.645 1.00 51.42 ATOM 1944 CB TYR 117 0.211 -41.925 12.187 1.00 51.44 ATOM 1945 HB1 TYR 117 -0.470 -42.021 11.353 1.00 36.35 ATOM 1946 HB2 TYR 117 0.617 -40.924 12.195 1.00 70.12 ATOM 1947 CG TYR 117 -0.583 -42.108 13.470 1.00 52.14 ATOM 1948 CD1 TYR 117 -1.910 -42.527 13.430 1.00 14.35 ATOM 1949 HD1 TYR 117 -2.374 -42.711 12.471 1.00 13.02 ATOM 1950 CD2 TYR 117 -0.005 -41.879 14.716 1.00 74.22 ATOM 1951 HD2 TYR 117 1.024 -41.553 14.768 1.00 14.12 ATOM 1952 CE1 TYR 117 -2.637 -42.706 14.590 1.00 1.23 ATOM 1953 HE1 TYR 117 -3.666 -43.030 14.536 1.00 11.40 ATOM 1954 CE2 TYR 117 -0.729 -42.057 15.881 1.00 65.11 ATOM 1955 HE2 TYR 117 -0.265 -41.872 16.840 1.00 52.31 ATOM 1956 CZ TYR 117 -2.043 -42.472 15.812 1.00 51.23 ATOM 1957 OH TYR 117 -2.768 -42.655 16.970 1.00 72.10 ATOM 1958 HH TYR 117 -2.582 -41.933 17.578 1.00 60.11 ATOM 1959 C TYR 117 0.945 -44.351 12.453 1.00 24.53 ATOM 1960 O TYR 117 1.419 -44.836 13.483 1.00 72.05 ATOM 1961 N PRO 118 0.056 -45.054 11.701 1.00 15.30 ATOM 1962 CA PRO 118 -0.320 -46.440 12.044 1.00 11.40 ATOM 1963 HA PRO 118 -0.795 -46.490 13.014 1.00 31.44 ATOM 1964 CB PRO 118 -1.330 -46.832 10.946 1.00 61.34 ATOM 1965 HB1 PRO 118 -2.144 -47.392 11.383 1.00 36.35 ATOM 1966 HB2 PRO 118 -0.839 -47.435 10.193 1.00 43.32 ATOM 1967 CG PRO 118 -1.807 -45.535 10.377 1.00 33.05 ATOM 1968 HG1 PRO 118 -2.645 -45.167 10.953 1.00 36.35 ATOM 1969 HG2 PRO 118 -2.092 -45.668 9.342 1.00 73.32 ATOM 1970 CD PRO 118 -0.641 -44.588 10.484 1.00 3.54 ATOM 1971 HD1 PRO 118 -0.988 -43.572 10.601 1.00 36.35 ATOM 1972 HD2 PRO 118 0.000 -44.672 9.616 1.00 30.13 ATOM 1973 C PRO 118 0.897 -47.376 12.024 1.00 4.20 ATOM 1974 O PRO 118 1.002 -48.315 12.818 1.00 4.14 ATOM 1975 N TYR 119 1.826 -47.087 11.117 1.00 24.20 ATOM 1976 HN TYR 119 1.688 -46.316 10.532 1.00 36.35 ATOM 1977 CA TYR 119 3.047 -47.874 10.966 1.00 30.55 ATOM 1978 HA TYR 119 2.758 -48.910 10.849 1.00 62.31 ATOM 1979 CB TYR 119 3.793 -47.419 9.705 1.00 42.25 ATOM 1980 HB1 TYR 119 4.220 -46.441 9.884 1.00 36.35 ATOM 1981 HB2 TYR 119 3.089 -47.348 8.888 1.00 25.23 ATOM 1982 CG TYR 119 4.913 -48.347 9.268 1.00 72.44 ATOM 1983 CD1 TYR 119 6.243 -48.029 9.504 1.00 71.30 ATOM 1984 HD1 TYR 119 6.480 -47.105 10.010 1.00 4.13 ATOM 1985 CD2 TYR 119 4.633 -49.544 8.613 1.00 33.53 ATOM 1986 HD2 TYR 119 3.602 -49.809 8.419 1.00 3.03 ATOM 1987 CE1 TYR 119 7.261 -48.868 9.098 1.00 25.25 ATOM 1988 HE1 TYR 119 8.291 -48.601 9.294 1.00 74.32 ATOM 1989 CE2 TYR 119 5.648 -50.388 8.204 1.00 73.42 ATOM 1990 HE2 TYR 119 5.410 -51.312 7.696 1.00 43.21 ATOM 1991 CZ TYR 119 6.960 -50.045 8.451 1.00 51.20 ATOM 1992 OH TYR 119 7.977 -50.881 8.049 1.00 73.52 ATOM 1993 HH TYR 119 8.659 -50.907 8.734 1.00 24.42 ATOM 1994 C TYR 119 3.945 -47.748 12.213 1.00 13.43 ATOM 1995 O TYR 119 4.431 -48.753 12.735 1.00 41.24 ATOM 1996 N GLU 120 4.154 -46.516 12.695 1.00 53.23 ATOM 1997 HN GLU 120 3.793 -45.744 12.211 1.00 36.35 ATOM 1998 CA GLU 120 4.920 -46.296 13.932 1.00 22.31 ATOM 1999 HA GLU 120 5.913 -46.701 13.783 1.00 63.13 ATOM 2000 CB GLU 120 5.035 -44.798 14.279 1.00 15.32 ATOM 2001 HB1 GLU 120 4.047 -44.406 14.481 1.00 36.35 ATOM 2002 HB2 GLU 120 5.455 -44.274 13.431 1.00 5.34 ATOM 2003 CG GLU 120 5.924 -44.532 15.501 1.00 33.04 ATOM 2004 HG1 GLU 120 6.959 -44.563 15.185 1.00 36.35 ATOM 2005 HG2 GLU 120 5.757 -45.315 16.227 1.00 11.41 ATOM 2006 CD GLU 120 5.666 -43.186 16.173 1.00 52.31 ATOM 2007 OE1 GLU 120 5.272 -43.178 17.366 1.00 71.53 ATOM 2008 OE2 GLU 120 5.863 -42.140 15.522 1.00 44.30 ATOM 2009 C GLU 120 4.258 -47.021 15.107 1.00 55.23 ATOM 2010 O GLU 120 4.904 -47.783 15.824 1.00 12.30 ATOM 2011 N CYS 121 2.959 -46.777 15.279 1.00 44.52 ATOM 2012 HN CYS 121 2.505 -46.179 14.645 1.00 36.35 ATOM 2013 CA CYS 121 2.180 -47.360 16.381 1.00 74.40 ATOM 2014 HA CYS 121 2.523 -46.908 17.301 1.00 34.02 ATOM 2015 CB CYS 121 0.690 -47.035 16.203 1.00 41.45 ATOM 2016 HB1 CYS 121 0.337 -47.485 15.286 1.00 36.35 ATOM 2017 HB2 CYS 121 0.566 -45.963 16.139 1.00 33.44 ATOM 2018 SG CYS 121 -0.366 -47.629 17.548 1.00 65.24 ATOM 2019 HG CYS 121 0.149 -48.769 17.994 1.00 33.42 ATOM 2020 C CYS 121 2.369 -48.883 16.485 1.00 61.33 ATOM 2021 O CYS 121 2.411 -49.435 17.582 1.00 55.40 ATOM 2022 N GLU 122 2.486 -49.554 15.338 1.00 23.34 ATOM 2023 HN GLU 122 2.428 -49.062 14.491 1.00 36.35 ATOM 2024 CA GLU 122 2.680 -51.011 15.309 1.00 31.52 ATOM 2025 HA GLU 122 2.157 -51.435 16.155 1.00 64.50 ATOM 2026 CB GLU 122 2.084 -51.590 14.019 1.00 4.23 ATOM 2027 HB1 GLU 122 2.622 -51.179 13.173 1.00 36.35 ATOM 2028 HB2 GLU 122 1.048 -51.288 13.950 1.00 32.42 ATOM 2029 CG GLU 122 2.142 -53.116 13.929 1.00 21.22 ATOM 2030 HG1 GLU 122 3.156 -53.436 14.129 1.00 36.35 ATOM 2031 HG2 GLU 122 1.867 -53.413 12.927 1.00 21.14 ATOM 2032 CD GLU 122 1.206 -53.807 14.911 1.00 43.54 ATOM 2033 OE1 GLU 122 -0.012 -53.858 14.639 1.00 55.35 ATOM 2034 OE2 GLU 122 1.680 -54.306 15.954 1.00 64.15 ATOM 2035 C GLU 122 4.171 -51.398 15.402 1.00 54.50 ATOM 2036 O GLU 122 4.603 -52.050 16.355 1.00 12.33 ATOM 2037 N LYS 123 4.949 -50.981 14.404 1.00 30.20 ATOM 2038 HN LYS 123 4.577 -50.357 13.745 1.00 36.35 ATOM 2039 CA LYS 123 6.347 -51.417 14.256 1.00 41.21 ATOM 2040 HA LYS 123 6.363 -52.495 14.298 1.00 42.14 ATOM 2041 CB LYS 123 6.883 -50.971 12.887 1.00 2.31 ATOM 2042 HB1 LYS 123 7.900 -51.324 12.778 1.00 36.35 ATOM 2043 HB2 LYS 123 6.884 -49.890 12.850 1.00 22.02 ATOM 2044 CG LYS 123 6.071 -51.484 11.701 1.00 52.14 ATOM 2045 HG1 LYS 123 6.447 -51.024 10.797 1.00 36.35 ATOM 2046 HG2 LYS 123 5.036 -51.204 11.841 1.00 30.13 ATOM 2047 CD LYS 123 6.154 -53.001 11.558 1.00 10.14 ATOM 2048 HD1 LYS 123 5.693 -53.461 12.422 1.00 36.35 ATOM 2049 HD2 LYS 123 7.194 -53.293 11.509 1.00 23.43 ATOM 2050 CE LYS 123 5.445 -53.486 10.299 1.00 62.45 ATOM 2051 HE1 LYS 123 5.860 -52.972 9.444 1.00 36.35 ATOM 2052 HE2 LYS 123 4.392 -53.254 10.379 1.00 72.24 ATOM 2053 NZ LYS 123 5.599 -54.951 10.099 1.00 55.33 ATOM 2054 HZ1 LYS 123 5.100 -55.470 10.849 1.00 43.24 ATOM 2055 HZ2 LYS 123 6.605 -55.214 10.127 1.00 74.22 ATOM 2056 HZ3 LYS 123 5.206 -55.230 9.178 1.00 11.21 ATOM 2057 C LYS 123 7.269 -50.869 15.357 1.00 34.25 ATOM 2058 O LYS 123 8.186 -51.555 15.810 1.00 44.43 ATOM 2059 N ARG 124 7.026 -49.636 15.783 1.00 75.24 ATOM 2060 HN ARG 124 6.228 -49.170 15.454 1.00 36.35 ATOM 2061 CA ARG 124 7.922 -48.955 16.724 1.00 72.10 ATOM 2062 HA ARG 124 8.841 -49.522 16.777 1.00 33.43 ATOM 2063 CB ARG 124 8.243 -47.552 16.191 1.00 63.22 ATOM 2064 HB1 ARG 124 7.358 -46.936 16.278 1.00 36.35 ATOM 2065 HB2 ARG 124 8.507 -47.630 15.144 1.00 44.51 ATOM 2066 CG ARG 124 9.384 -46.851 16.917 1.00 22.12 ATOM 2067 HG1 ARG 124 9.169 -46.841 17.976 1.00 36.35 ATOM 2068 HG2 ARG 124 9.453 -45.834 16.556 1.00 64.22 ATOM 2069 CD ARG 124 10.728 -47.539 16.692 1.00 54.12 ATOM 2070 HD1 ARG 124 10.914 -47.597 15.628 1.00 36.35 ATOM 2071 HD2 ARG 124 10.682 -48.538 17.103 1.00 50.13 ATOM 2072 NE ARG 124 11.827 -46.813 17.331 1.00 14.02 ATOM 2073 HE ARG 124 11.643 -46.371 18.185 1.00 64.43 ATOM 2074 CZ ARG 124 13.036 -46.723 16.840 1.00 73.30 ATOM 2075 NH1 ARG 124 13.327 -47.256 15.697 1.00 71.31 ATOM 2076 HH11 ARG 124 12.629 -47.737 15.181 1.00 31.11 ATOM 2077 HH12 ARG 124 14.255 -47.174 15.331 1.00 50.44 ATOM 2078 NH2 ARG 124 13.946 -46.068 17.479 1.00 53.40 ATOM 2079 HH21 ARG 124 13.724 -45.625 18.348 1.00 64.03 ATOM 2080 HH22 ARG 124 14.869 -46.009 17.109 1.00 53.05 ATOM 2081 C ARG 124 7.314 -48.868 18.140 1.00 43.23 ATOM 2082 O ARG 124 7.945 -49.266 19.120 1.00 55.33 ATOM 2083 N GLY 125 6.096 -48.334 18.234 1.00 33.40 ATOM 2084 HN GLY 125 5.655 -48.019 17.424 1.00 36.35 ATOM 2085 CA GLY 125 5.406 -48.223 19.519 1.00 22.31 ATOM 2086 HA1 GLY 125 5.449 -49.181 20.021 1.00 36.35 ATOM 2087 HA2 GLY 125 4.371 -47.979 19.332 1.00 4.14 ATOM 2088 C GLY 125 5.999 -47.155 20.439 1.00 21.45 ATOM 2089 O GLY 125 6.370 -47.443 21.577 1.00 4.12 ATOM 2090 N LEU 126 6.092 -45.919 19.948 1.00 52.24 ATOM 2091 HN LEU 126 5.787 -45.745 19.033 1.00 36.35 ATOM 2092 CA LEU 126 6.631 -44.810 20.748 1.00 23.34 ATOM 2093 HA LEU 126 7.211 -45.233 21.558 1.00 44.43 ATOM 2094 CB LEU 126 7.549 -43.927 19.891 1.00 43.31 ATOM 2095 HB1 LEU 126 7.837 -43.064 20.477 1.00 36.35 ATOM 2096 HB2 LEU 126 6.983 -43.584 19.035 1.00 51.34 ATOM 2097 CG LEU 126 8.824 -44.606 19.379 1.00 50.12 ATOM 2098 HG LEU 126 8.549 -45.500 18.838 1.00 40.12 ATOM 2099 CD1 LEU 126 9.571 -43.692 18.415 1.00 54.04 ATOM 2100 HD11 LEU 126 8.919 -43.423 17.597 1.00 12.11 ATOM 2101 HD12 LEU 126 10.437 -44.209 18.026 1.00 23.54 ATOM 2102 HD13 LEU 126 9.888 -42.799 18.932 1.00 10.31 ATOM 2103 CD2 LEU 126 9.727 -45.020 20.541 1.00 74.10 ATOM 2104 HD21 LEU 126 10.613 -45.502 20.152 1.00 51.15 ATOM 2105 HD22 LEU 126 9.196 -45.708 21.182 1.00 21.43 ATOM 2106 HD23 LEU 126 10.013 -44.145 21.108 1.00 72.41 ATOM 2107 C LEU 126 5.508 -43.955 21.342 1.00 42.14 ATOM 2108 O LEU 126 5.353 -43.872 22.563 1.00 3.22 ATOM 2109 N SER 127 4.712 -43.337 20.474 1.00 15.44 ATOM 2110 HN SER 127 4.828 -43.508 19.512 1.00 36.35 ATOM 2111 CA SER 127 3.667 -42.403 20.913 1.00 0.22 ATOM 2112 HA SER 127 3.928 -42.056 21.903 1.00 43.23 ATOM 2113 CB SER 127 3.616 -41.196 19.971 1.00 34.23 ATOM 2114 HB1 SER 127 4.600 -40.753 19.905 1.00 36.35 ATOM 2115 HB2 SER 127 2.923 -40.468 20.365 1.00 73.41 ATOM 2116 OG SER 127 3.193 -41.559 18.665 1.00 72.41 ATOM 2117 HG SER 127 3.919 -41.996 18.194 1.00 55.22 ATOM 2118 C SER 127 2.280 -43.062 20.978 1.00 5.13 ATOM 2119 O SER 127 2.061 -44.145 20.426 1.00 74.33 ATOM 2120 N ASN 128 1.346 -42.405 21.673 1.00 5.21 ATOM 2121 HN ASN 128 1.597 -41.581 22.145 1.00 36.35 ATOM 2122 CA ASN 128 -0.041 -42.885 21.766 1.00 10.41 ATOM 2123 HA ASN 128 -0.124 -43.785 21.169 1.00 50.22 ATOM 2124 CB ASN 128 -0.417 -43.212 23.219 1.00 74.12 ATOM 2125 HB1 ASN 128 -1.276 -43.870 23.215 1.00 36.35 ATOM 2126 HB2 ASN 128 -0.681 -42.301 23.731 1.00 45.31 ATOM 2127 CG ASN 128 0.699 -43.895 23.988 1.00 54.22 ATOM 2128 OD1 ASN 128 0.811 -45.117 24.004 1.00 43.22 ATOM 2129 ND2 ASN 128 1.528 -43.111 24.644 1.00 34.21 ATOM 2130 HD21 ASN 128 1.383 -42.142 24.601 1.00 4.14 ATOM 2131 HD22 ASN 128 2.258 -43.525 25.142 1.00 52.43 ATOM 2132 C ASN 128 -1.034 -41.834 21.222 1.00 21.41 ATOM 2133 O ASN 128 -0.784 -40.628 21.298 1.00 1.21 ATOM 2134 N PRO 129 -2.179 -42.290 20.674 1.00 63.10 ATOM 2135 CA PRO 129 -3.257 -41.407 20.184 1.00 40.15 ATOM 2136 HA PRO 129 -3.014 -40.998 19.212 1.00 23.51 ATOM 2137 CB PRO 129 -4.450 -42.359 20.052 1.00 50.30 ATOM 2138 HB1 PRO 129 -5.063 -42.057 19.214 1.00 36.35 ATOM 2139 HB2 PRO 129 -5.040 -42.331 20.958 1.00 74.04 ATOM 2140 CG PRO 129 -3.861 -43.714 19.832 1.00 54.12 ATOM 2141 HG1 PRO 129 -3.786 -43.912 18.771 1.00 36.35 ATOM 2142 HG2 PRO 129 -4.480 -44.459 20.306 1.00 74.35 ATOM 2143 CD PRO 129 -2.493 -43.716 20.462 1.00 44.41 ATOM 2144 HD1 PRO 129 -1.774 -44.171 19.795 1.00 36.35 ATOM 2145 HD2 PRO 129 -2.513 -44.246 21.405 1.00 34.22 ATOM 2146 C PRO 129 -3.619 -40.253 21.147 1.00 21.45 ATOM 2147 O PRO 129 -3.837 -39.116 20.719 1.00 42.10 ATOM 2148 N ASN 130 -3.696 -40.556 22.444 1.00 21.54 ATOM 2149 HN ASN 130 -3.468 -41.469 22.731 1.00 36.35 ATOM 2150 CA ASN 130 -4.114 -39.572 23.453 1.00 44.45 ATOM 2151 HA ASN 130 -5.070 -39.178 23.136 1.00 42.12 ATOM 2152 CB ASN 130 -4.301 -40.252 24.816 1.00 30.22 ATOM 2153 HB1 ASN 130 -4.501 -39.499 25.565 1.00 36.35 ATOM 2154 HB2 ASN 130 -3.396 -40.777 25.075 1.00 30.21 ATOM 2155 CG ASN 130 -5.449 -41.250 24.822 1.00 73.41 ATOM 2156 OD1 ASN 130 -5.393 -42.278 25.491 1.00 51.04 ATOM 2157 ND2 ASN 130 -6.506 -40.954 24.093 1.00 1.33 ATOM 2158 HD21 ASN 130 -6.507 -40.118 23.587 1.00 53.21 ATOM 2159 HD22 ASN 130 -7.253 -41.585 24.096 1.00 10.15 ATOM 2160 C ASN 130 -3.129 -38.396 23.567 1.00 53.31 ATOM 2161 O ASN 130 -3.504 -37.244 23.329 1.00 51.01 ATOM 2162 N GLU 131 -1.874 -38.684 23.924 1.00 22.42 ATOM 2163 HN GLU 131 -1.632 -39.616 24.116 1.00 36.35 ATOM 2164 CA GLU 131 -0.849 -37.636 24.045 1.00 65.22 ATOM 2165 HA GLU 131 -1.168 -36.953 24.820 1.00 23.34 ATOM 2166 CB GLU 131 0.505 -38.246 24.447 1.00 24.41 ATOM 2167 HB1 GLU 131 0.359 -38.865 25.323 1.00 36.35 ATOM 2168 HB2 GLU 131 1.188 -37.448 24.698 1.00 13.20 ATOM 2169 CG GLU 131 1.154 -39.101 23.364 1.00 70.03 ATOM 2170 HG1 GLU 131 1.250 -38.507 22.466 1.00 36.35 ATOM 2171 HG2 GLU 131 0.514 -39.949 23.162 1.00 54.43 ATOM 2172 CD GLU 131 2.530 -39.610 23.760 1.00 24.34 ATOM 2173 OE1 GLU 131 2.720 -40.837 23.813 1.00 30.20 ATOM 2174 OE2 GLU 131 3.427 -38.780 24.028 1.00 24.42 ATOM 2175 C GLU 131 -0.705 -36.848 22.729 1.00 2.53 ATOM 2176 O GLU 131 -0.444 -35.643 22.735 1.00 11.33 ATOM 2177 N LEU 132 -0.893 -37.546 21.605 1.00 35.44 ATOM 2178 HN LEU 132 -1.079 -38.508 21.674 1.00 36.35 ATOM 2179 CA LEU 132 -0.821 -36.932 20.273 1.00 61.32 ATOM 2180 HA LEU 132 0.190 -36.577 20.132 1.00 33.01 ATOM 2181 CB LEU 132 -1.132 -37.983 19.195 1.00 33.33 ATOM 2182 HB1 LEU 132 -2.109 -38.397 19.402 1.00 36.35 ATOM 2183 HB2 LEU 132 -0.401 -38.777 19.279 1.00 14.15 ATOM 2184 CG LEU 132 -1.124 -37.470 17.742 1.00 23.13 ATOM 2185 HG LEU 132 -1.847 -36.672 17.649 1.00 1.32 ATOM 2186 CD1 LEU 132 0.242 -36.902 17.368 1.00 1.15 ATOM 2187 HD11 LEU 132 0.500 -36.103 18.048 1.00 53.33 ATOM 2188 HD12 LEU 132 0.207 -36.516 16.360 1.00 4.51 ATOM 2189 HD13 LEU 132 0.987 -37.682 17.427 1.00 73.43 ATOM 2190 CD2 LEU 132 -1.529 -38.582 16.775 1.00 54.11 ATOM 2191 HD21 LEU 132 -2.532 -38.911 17.003 1.00 35.23 ATOM 2192 HD22 LEU 132 -0.846 -39.414 16.873 1.00 31.15 ATOM 2193 HD23 LEU 132 -1.495 -38.208 15.761 1.00 43.42 ATOM 2194 C LEU 132 -1.783 -35.743 20.137 1.00 73.03 ATOM 2195 O LEU 132 -1.398 -34.670 19.666 1.00 4.54 ATOM 2196 N GLN 133 -3.033 -35.939 20.557 1.00 3.13 ATOM 2197 HN GLN 133 -3.276 -36.809 20.942 1.00 36.35 ATOM 2198 CA GLN 133 -4.054 -34.889 20.464 1.00 11.30 ATOM 2199 HA GLN 133 -4.157 -34.627 19.421 1.00 75.44 ATOM 2200 CB GLN 133 -5.405 -35.410 20.977 1.00 33.22 ATOM 2201 HB1 GLN 133 -5.304 -35.668 22.022 1.00 36.35 ATOM 2202 HB2 GLN 133 -5.666 -36.301 20.423 1.00 31.52 ATOM 2203 CG GLN 133 -6.552 -34.411 20.840 1.00 70.53 ATOM 2204 HG1 GLN 133 -6.328 -33.541 21.441 1.00 36.35 ATOM 2205 HG2 GLN 133 -7.459 -34.872 21.203 1.00 22.23 ATOM 2206 CD GLN 133 -6.778 -33.967 19.401 1.00 12.15 ATOM 2207 OE1 GLN 133 -7.528 -34.588 18.655 1.00 64.31 ATOM 2208 NE2 GLN 133 -6.141 -32.884 19.000 1.00 32.31 ATOM 2209 HE21 GLN 133 -5.559 -32.423 19.640 1.00 45.31 ATOM 2210 HE22 GLN 133 -6.273 -32.591 18.076 1.00 62.21 ATOM 2211 C GLN 133 -3.634 -33.632 21.242 1.00 32.01 ATOM 2212 O GLN 133 -3.836 -32.507 20.778 1.00 60.32 ATOM 2213 N ALA 134 -3.044 -33.832 22.420 1.00 75.34 ATOM 2214 HN ALA 134 -2.940 -34.750 22.749 1.00 36.35 ATOM 2215 CA ALA 134 -2.545 -32.718 23.239 1.00 52.44 ATOM 2216 HA ALA 134 -3.364 -32.026 23.389 1.00 32.32 ATOM 2217 CB ALA 134 -2.099 -33.228 24.607 1.00 65.45 ATOM 2218 HB1 ALA 134 -1.795 -32.393 25.223 1.00 55.34 ATOM 2219 HB2 ALA 134 -1.267 -33.907 24.488 1.00 22.51 ATOM 2220 HB3 ALA 134 -2.918 -33.747 25.084 1.00 34.11 ATOM 2221 C ALA 134 -1.392 -31.979 22.537 1.00 51.24 ATOM 2222 O ALA 134 -1.350 -30.747 22.515 1.00 22.43 ATOM 2223 N ALA 135 -0.466 -32.745 21.963 1.00 14.34 ATOM 2224 HN ALA 135 -0.538 -33.721 22.051 1.00 36.35 ATOM 2225 CA ALA 135 0.662 -32.185 21.207 1.00 44.43 ATOM 2226 HA ALA 135 1.285 -31.627 21.894 1.00 13.43 ATOM 2227 CB ALA 135 1.493 -33.321 20.620 1.00 4.01 ATOM 2228 HB1 ALA 135 2.382 -32.919 20.153 1.00 14.45 ATOM 2229 HB2 ALA 135 0.907 -33.851 19.879 1.00 1.31 ATOM 2230 HB3 ALA 135 1.776 -34.004 21.409 1.00 72.34 ATOM 2231 C ALA 135 0.181 -31.251 20.085 1.00 42.21 ATOM 2232 O ALA 135 0.594 -30.090 19.988 1.00 63.44 ATOM 2233 N ILE 136 -0.705 -31.777 19.245 1.00 44.41 ATOM 2234 HN ILE 136 -0.981 -32.712 19.377 1.00 36.35 ATOM 2235 CA ILE 136 -1.282 -31.021 18.131 1.00 25.03 ATOM 2236 HA ILE 136 -0.473 -30.695 17.490 1.00 34.13 ATOM 2237 CB ILE 136 -2.231 -31.918 17.305 1.00 63.51 ATOM 2238 HB ILE 136 -3.062 -32.203 17.936 1.00 33.44 ATOM 2239 CG1 ILE 136 -1.492 -33.186 16.855 1.00 23.32 ATOM 2240 HG11 ILE 136 -0.929 -33.582 17.690 1.00 36.35 ATOM 2241 HG12 ILE 136 -0.808 -32.938 16.055 1.00 41.43 ATOM 2242 CG2 ILE 136 -2.790 -31.160 16.099 1.00 24.42 ATOM 2243 HG21 ILE 136 -3.306 -30.274 16.439 1.00 44.23 ATOM 2244 HG22 ILE 136 -3.483 -31.793 15.563 1.00 32.42 ATOM 2245 HG23 ILE 136 -1.981 -30.875 15.442 1.00 72.31 ATOM 2246 CD1 ILE 136 -2.409 -34.280 16.358 1.00 71.20 ATOM 2247 HD11 ILE 136 -1.818 -35.140 16.085 1.00 52.35 ATOM 2248 HD12 ILE 136 -2.960 -33.931 15.498 1.00 30.23 ATOM 2249 HD13 ILE 136 -3.098 -34.554 17.144 1.00 13.05 ATOM 2250 C ILE 136 -2.056 -29.794 18.630 1.00 2.04 ATOM 2251 O ILE 136 -1.907 -28.691 18.100 1.00 44.24 ATOM 2252 N ASP 137 -2.876 -30.000 19.659 1.00 11.42 ATOM 2253 HN ASP 137 -2.941 -30.902 20.038 1.00 36.35 ATOM 2254 CA ASP 137 -3.679 -28.926 20.248 1.00 10.31 ATOM 2255 HA ASP 137 -4.366 -28.576 19.489 1.00 13.10 ATOM 2256 CB ASP 137 -4.482 -29.476 21.432 1.00 4.12 ATOM 2257 HB1 ASP 137 -3.796 -29.806 22.201 1.00 36.35 ATOM 2258 HB2 ASP 137 -5.069 -30.320 21.097 1.00 64.32 ATOM 2259 CG ASP 137 -5.424 -28.447 22.029 1.00 72.12 ATOM 2260 OD1 ASP 137 -6.351 -28.006 21.319 1.00 13.33 ATOM 2261 OD2 ASP 137 -5.256 -28.090 23.211 1.00 53.55 ATOM 2262 C ASP 137 -2.790 -27.750 20.693 1.00 61.54 ATOM 2263 O ASP 137 -3.069 -26.591 20.378 1.00 52.12 ATOM 2264 N SER 138 -1.706 -28.064 21.400 1.00 73.25 ATOM 2265 HN SER 138 -1.546 -29.004 21.633 1.00 36.35 ATOM 2266 CA SER 138 -0.751 -27.043 21.852 1.00 42.10 ATOM 2267 HA SER 138 -1.295 -26.334 22.463 1.00 44.41 ATOM 2268 CB SER 138 0.359 -27.679 22.702 1.00 72.34 ATOM 2269 HB1 SER 138 0.940 -28.351 22.087 1.00 36.35 ATOM 2270 HB2 SER 138 -0.086 -28.234 23.516 1.00 22.53 ATOM 2271 OG SER 138 1.224 -26.692 23.246 1.00 4.41 ATOM 2272 HG SER 138 1.817 -27.106 23.886 1.00 73.44 ATOM 2273 C SER 138 -0.133 -26.291 20.660 1.00 53.20 ATOM 2274 O SER 138 -0.014 -25.065 20.681 1.00 51.44 ATOM 2275 N ASN 139 0.232 -27.030 19.604 1.00 3.31 ATOM 2276 HN ASN 139 0.124 -28.006 19.645 1.00 36.35 ATOM 2277 CA ASN 139 0.780 -26.415 18.383 1.00 44.40 ATOM 2278 HA ASN 139 1.634 -25.820 18.676 1.00 50.33 ATOM 2279 CB ASN 139 1.245 -27.486 17.383 1.00 64.13 ATOM 2280 HB1 ASN 139 1.358 -27.031 16.408 1.00 36.35 ATOM 2281 HB2 ASN 139 0.494 -28.260 17.324 1.00 62.24 ATOM 2282 CG ASN 139 2.567 -28.140 17.762 1.00 13.23 ATOM 2283 OD1 ASN 139 3.346 -28.522 16.894 1.00 32.04 ATOM 2284 ND2 ASN 139 2.829 -28.294 19.045 1.00 23.51 ATOM 2285 HD21 ASN 139 2.171 -27.981 19.696 1.00 75.32 ATOM 2286 HD22 ASN 139 3.673 -28.724 19.291 1.00 13.15 ATOM 2287 C ASN 139 -0.250 -25.490 17.706 1.00 42.14 ATOM 2288 O ASN 139 0.107 -24.459 17.134 1.00 4.14 ATOM 2289 N ARG 140 -1.528 -25.870 17.763 1.00 10.42 ATOM 2290 HN ARG 140 -1.752 -26.725 18.189 1.00 36.35 ATOM 2291 CA ARG 140 -2.602 -25.034 17.210 1.00 52.34 ATOM 2292 HA ARG 140 -2.338 -24.791 16.189 1.00 41.41 ATOM 2293 CB ARG 140 -3.944 -25.786 17.213 1.00 14.43 ATOM 2294 HB1 ARG 140 -4.709 -25.134 16.815 1.00 36.35 ATOM 2295 HB2 ARG 140 -4.198 -26.039 18.233 1.00 24.41 ATOM 2296 CG ARG 140 -3.944 -27.073 16.392 1.00 61.23 ATOM 2297 HG1 ARG 140 -3.276 -27.784 16.859 1.00 36.35 ATOM 2298 HG2 ARG 140 -3.591 -26.852 15.394 1.00 23.40 ATOM 2299 CD ARG 140 -5.339 -27.693 16.296 1.00 61.12 ATOM 2300 HD1 ARG 140 -5.263 -28.629 15.759 1.00 36.35 ATOM 2301 HD2 ARG 140 -5.980 -27.018 15.747 1.00 45.52 ATOM 2302 NE ARG 140 -5.934 -27.945 17.609 1.00 53.12 ATOM 2303 HE ARG 140 -5.465 -27.601 18.393 1.00 43.43 ATOM 2304 CZ ARG 140 -7.063 -28.582 17.797 1.00 33.44 ATOM 2305 NH1 ARG 140 -7.726 -29.070 16.797 1.00 75.33 ATOM 2306 HH11 ARG 140 -7.384 -28.963 15.872 1.00 0.45 ATOM 2307 HH12 ARG 140 -8.587 -29.559 16.962 1.00 63.43 ATOM 2308 NH2 ARG 140 -7.526 -28.730 18.992 1.00 5.11 ATOM 2309 HH21 ARG 140 -7.024 -28.363 19.772 1.00 54.05 ATOM 2310 HH22 ARG 140 -8.395 -29.200 19.136 1.00 21.24 ATOM 2311 C ARG 140 -2.738 -23.730 18.007 1.00 31.35 ATOM 2312 O ARG 140 -2.973 -22.664 17.442 1.00 0.44 ATOM 2313 N ARG 141 -2.576 -23.834 19.322 1.00 72.03 ATOM 2314 HN ARG 141 -2.400 -24.720 19.707 1.00 36.35 ATOM 2315 CA ARG 141 -2.657 -22.677 20.222 1.00 52.55 ATOM 2316 HA ARG 141 -3.608 -22.193 20.049 1.00 1.53 ATOM 2317 CB ARG 141 -2.607 -23.171 21.678 1.00 12.20 ATOM 2318 HB1 ARG 141 -1.664 -23.677 21.837 1.00 36.35 ATOM 2319 HB2 ARG 141 -3.409 -23.880 21.827 1.00 15.25 ATOM 2320 CG ARG 141 -2.743 -22.078 22.738 1.00 54.42 ATOM 2321 HG1 ARG 141 -3.625 -21.489 22.527 1.00 36.35 ATOM 2322 HG2 ARG 141 -1.868 -21.444 22.707 1.00 21.13 ATOM 2323 CD ARG 141 -2.871 -22.679 24.138 1.00 4.33 ATOM 2324 HD1 ARG 141 -2.024 -23.329 24.313 1.00 36.35 ATOM 2325 HD2 ARG 141 -3.779 -23.263 24.184 1.00 52.44 ATOM 2326 NE ARG 141 -2.906 -21.663 25.189 1.00 63.54 ATOM 2327 HE ARG 141 -2.065 -21.223 25.416 1.00 62.22 ATOM 2328 CZ ARG 141 -3.971 -21.349 25.879 1.00 33.25 ATOM 2329 NH1 ARG 141 -5.130 -21.840 25.572 1.00 61.03 ATOM 2330 HH11 ARG 141 -5.220 -22.465 24.805 1.00 55.52 ATOM 2331 HH12 ARG 141 -5.935 -21.574 26.100 1.00 44.25 ATOM 2332 NH2 ARG 141 -3.881 -20.517 26.862 1.00 13.40 ATOM 2333 HH21 ARG 141 -2.998 -20.111 27.093 1.00 2.13 ATOM 2334 HH22 ARG 141 -4.694 -20.292 27.401 1.00 41.01 ATOM 2335 C ARG 141 -1.529 -21.662 19.948 1.00 51.42 ATOM 2336 O ARG 141 -1.686 -20.464 20.193 1.00 55.01 ATOM 2337 N GLU 142 -0.398 -22.145 19.430 1.00 62.31 ATOM 2338 HN GLU 142 -0.320 -23.111 19.275 1.00 36.35 ATOM 2339 CA GLU 142 0.740 -21.274 19.101 1.00 3.22 ATOM 2340 HA GLU 142 1.004 -20.726 19.995 1.00 70.31 ATOM 2341 CB GLU 142 1.955 -22.101 18.654 1.00 0.55 ATOM 2342 HB1 GLU 142 2.756 -21.421 18.395 1.00 36.35 ATOM 2343 HB2 GLU 142 1.684 -22.667 17.774 1.00 21.32 ATOM 2344 CG GLU 142 2.486 -23.077 19.695 1.00 72.41 ATOM 2345 HG1 GLU 142 1.724 -23.813 19.908 1.00 36.35 ATOM 2346 HG2 GLU 142 2.720 -22.530 20.599 1.00 31.00 ATOM 2347 CD GLU 142 3.739 -23.793 19.213 1.00 75.03 ATOM 2348 OE1 GLU 142 4.850 -23.451 19.682 1.00 64.41 ATOM 2349 OE2 GLU 142 3.625 -24.678 18.341 1.00 23.34 ATOM 2350 C GLU 142 0.397 -20.265 17.991 1.00 3.11 ATOM 2351 O GLU 142 0.311 -19.057 18.232 1.00 42.11 ATOM 2352 N GLY 143 0.200 -20.772 16.773 1.00 73.13 ATOM 2353 HN GLY 143 0.153 -21.746 16.666 1.00 36.35 ATOM 2354 CA GLY 143 0.050 -19.902 15.605 1.00 12.21 ATOM 2355 HA1 GLY 143 0.737 -20.242 14.842 1.00 36.35 ATOM 2356 HA2 GLY 143 0.322 -18.893 15.882 1.00 41.30 ATOM 2357 C GLY 143 -1.359 -19.875 15.015 1.00 54.41 ATOM 2358 O GLY 143 -1.528 -20.014 13.800 1.00 42.32 ATOM 2359 N ARG 144 -2.369 -19.714 15.871 1.00 1.51 ATOM 2360 HN ARG 144 -2.180 -19.724 16.832 1.00 36.35 ATOM 2361 CA ARG 144 -3.759 -19.525 15.423 1.00 75.00 ATOM 2362 HA ARG 144 -3.735 -19.061 14.444 1.00 42.22 ATOM 2363 CB ARG 144 -4.509 -20.869 15.322 1.00 5.11 ATOM 2364 HB1 ARG 144 -5.527 -20.670 15.015 1.00 36.35 ATOM 2365 HB2 ARG 144 -4.529 -21.323 16.302 1.00 43.23 ATOM 2366 CG ARG 144 -3.906 -21.884 14.346 1.00 61.43 ATOM 2367 HG1 ARG 144 -3.190 -22.496 14.876 1.00 36.35 ATOM 2368 HG2 ARG 144 -3.405 -21.353 13.549 1.00 13.43 ATOM 2369 CD ARG 144 -4.979 -22.787 13.739 1.00 53.11 ATOM 2370 HD1 ARG 144 -4.501 -23.665 13.325 1.00 36.35 ATOM 2371 HD2 ARG 144 -5.481 -22.248 12.947 1.00 1.42 ATOM 2372 NE ARG 144 -5.970 -23.213 14.729 1.00 30.42 ATOM 2373 HE ARG 144 -5.667 -23.791 15.455 1.00 32.42 ATOM 2374 CZ ARG 144 -7.230 -22.857 14.703 1.00 11.04 ATOM 2375 NH1 ARG 144 -7.676 -22.070 13.775 1.00 44.44 ATOM 2376 HH11 ARG 144 -7.062 -21.730 13.066 1.00 10.43 ATOM 2377 HH12 ARG 144 -8.636 -21.785 13.782 1.00 53.12 ATOM 2378 NH2 ARG 144 -8.036 -23.280 15.620 1.00 61.11 ATOM 2379 HH21 ARG 144 -7.698 -23.874 16.347 1.00 72.41 ATOM 2380 HH22 ARG 144 -8.999 -23.007 15.603 1.00 13.51 ATOM 2381 C ARG 144 -4.526 -18.593 16.381 1.00 35.23 ATOM 2382 O ARG 144 -3.930 -17.886 17.198 1.00 1.55 ATOM 2383 N ARG 145 -5.854 -18.591 16.259 1.00 53.45 ATOM 2384 HN ARG 145 -6.261 -19.127 15.550 1.00 36.35 ATOM 2385 HA ARG 145 -6.113 -17.344 17.898 1.00 44.10 ATOM 2386 CB ARG 145 -7.433 -16.707 16.332 1.00 13.30 ATOM 2387 HB1 ARG 145 -6.744 -15.885 16.197 1.00 36.35 ATOM 2388 HB2 ARG 145 -8.288 -16.356 16.892 1.00 52.31 ATOM 2389 CG ARG 145 -7.914 -17.163 14.951 1.00 54.04 ATOM 2390 HG1 ARG 145 -8.252 -18.188 15.019 1.00 36.35 ATOM 2391 HG2 ARG 145 -7.089 -17.103 14.253 1.00 54.41 ATOM 2392 CD ARG 145 -9.058 -16.300 14.436 1.00 32.00 ATOM 2393 HD1 ARG 145 -9.269 -16.576 13.412 1.00 36.35 ATOM 2394 HD2 ARG 145 -8.758 -15.262 14.474 1.00 72.42 ATOM 2395 NE ARG 145 -10.268 -16.477 15.238 1.00 64.11 ATOM 2396 HE ARG 145 -10.170 -16.906 16.113 1.00 13.32 ATOM 2397 CZ ARG 145 -11.465 -16.119 14.856 1.00 2.21 ATOM 2398 NH1 ARG 145 -11.654 -15.544 13.711 1.00 13.34 ATOM 2399 HH11 ARG 145 -10.880 -15.365 13.109 1.00 20.14 ATOM 2400 HH12 ARG 145 -12.578 -15.290 13.429 1.00 25.00 ATOM 2401 NH2 ARG 145 -12.476 -16.341 15.628 1.00 60.33 ATOM 2402 HH21 ARG 145 -12.340 -16.785 16.513 1.00 0.04 ATOM 2403 HH22 ARG 145 -13.391 -16.076 15.338 1.00 34.43 ATOM 2404 CA ARG 145 -6.731 -17.811 17.141 1.00 32.01 ATOM 2405 C ARG 145 -7.771 -18.713 17.850 1.00 14.24 ATOM 2406 OT1 ARG 145 -8.927 -18.811 17.363 1.00 36.35 ATOM 2407 OT2 ARG 145 -7.420 -19.330 18.881 1.00 36.35 ATOM 2408 OH2 TIP3 1 -5.020 -52.368 -11.567 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -4.817 -53.271 -11.295 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -5.979 -52.396 -11.797 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -5.074 -45.853 -5.482 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -4.831 -46.049 -6.409 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -6.026 -45.637 -5.526 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -2.765 -48.485 -12.517 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -2.144 -48.018 -13.117 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -2.227 -48.689 -11.731 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.712 -52.381 -11.900 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -8.563 -52.475 -12.335 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -7.779 -51.522 -11.422 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -7.625 -53.065 1.551 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -7.163 -52.430 2.122 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -8.251 -53.519 2.158 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -10.338 -51.174 2.882 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -10.756 -51.761 2.214 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -10.671 -51.519 3.746 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -3.412 -59.424 5.710 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -3.321 -58.607 6.232 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -4.379 -59.602 5.716 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -11.529 -54.542 2.963 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -10.581 -54.471 3.189 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -11.636 -53.948 2.195 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -10.612 -51.156 -1.057 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -10.715 -51.205 -2.024 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -9.665 -51.352 -0.911 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -8.019 -52.211 -1.072 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -7.919 -52.410 -0.119 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -7.361 -52.795 -1.506 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -6.447 -57.266 1.983 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -6.625 -56.622 1.268 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -6.289 -58.112 1.510 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -8.537 -59.568 4.579 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -8.470 -58.607 4.390 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -9.504 -59.741 4.594 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -8.893 -54.365 3.652 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -8.711 -54.063 4.558 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -8.709 -55.333 3.683 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -11.704 -52.591 1.003 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -12.659 -52.559 0.869 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -11.335 -52.136 0.209 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -5.677 -49.159 -7.057 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -4.876 -48.580 -7.153 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -5.560 -49.838 -7.747 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -13.858 -52.569 3.966 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -12.933 -52.730 4.215 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -13.953 -51.603 4.023 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -4.263 -46.275 -2.888 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -4.534 -46.075 -3.814 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -3.593 -45.594 -2.684 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -5.776 -48.515 -2.457 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -6.585 -48.099 -2.140 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -5.152 -47.760 -2.590 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -6.567 -59.097 8.652 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -7.434 -58.880 9.046 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -6.015 -58.318 8.849 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -6.672 -55.292 0.053 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -7.043 -54.552 0.575 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -6.663 -54.952 -0.869 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -12.967 -55.506 5.023 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -12.425 -55.202 4.256 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -13.758 -54.958 4.981 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -4.003 -51.923 -4.816 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -4.651 -51.202 -4.666 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -4.382 -52.427 -5.552 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -11.264 -59.783 4.544 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -11.348 -58.907 4.991 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -12.082 -59.872 4.048 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -14.147 -49.723 4.118 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -15.126 -49.698 4.088 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -13.918 -49.160 4.885 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -11.395 -57.486 5.966 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -12.054 -56.809 5.676 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -10.641 -56.954 6.303 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -6.068 -50.185 -4.541 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -6.033 -49.488 -3.849 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -6.012 -49.686 -5.389 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -9.378 -51.973 -3.539 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -8.738 -52.304 -4.194 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -8.891 -52.006 -2.697 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -7.008 -52.730 -4.780 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -6.785 -52.862 -5.728 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -6.760 -51.794 -4.608 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -9.305 -56.275 7.270 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -9.281 -56.800 8.094 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -8.419 -56.410 6.876 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -9.035 -58.013 9.442 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -9.574 -57.882 10.263 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -9.565 -58.652 8.907 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -7.650 -55.673 10.110 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -8.164 -56.476 9.899 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -6.814 -55.795 9.631 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -6.286 -53.948 -2.370 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -6.545 -53.680 -3.280 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -5.329 -54.138 -2.441 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -3.521 -54.705 -2.057 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -3.173 -53.906 -1.609 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -3.708 -55.332 -1.319 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -8.040 -56.892 4.096 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -7.466 -56.808 4.889 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -7.406 -57.042 3.352 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -6.742 -56.950 6.441 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -6.240 -56.657 7.230 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -6.465 -57.882 6.317 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -8.012 -60.859 2.177 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -8.865 -61.292 2.093 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -8.043 -60.438 3.061 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.150 -59.647 6.033 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -6.370 -59.731 6.992 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -6.999 -59.832 5.574 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -11.405 -51.998 5.219 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -10.905 -52.628 5.786 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -12.038 -51.574 5.836 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -11.895 -48.933 2.767 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -11.304 -49.713 2.831 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -12.741 -49.240 3.164 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -5.740 -52.735 16.069 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -6.471 -52.101 16.238 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.639 -53.215 16.918 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -5.505 -54.019 18.480 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -4.587 -53.683 18.560 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -5.740 -54.278 19.373 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -11.939 -48.753 12.455 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -12.684 -48.439 12.974 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -11.430 -49.293 13.067 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -7.934 -51.069 16.011 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.731 -50.328 15.436 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -8.523 -51.640 15.470 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -10.567 -59.456 7.701 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -10.482 -60.166 7.056 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -11.041 -58.750 7.218 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -4.968 -46.817 27.367 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -4.586 -46.464 26.531 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -4.264 -47.401 27.722 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -12.887 -57.026 12.903 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -13.530 -56.468 12.456 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -13.379 -57.430 13.622 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -1.943 -50.905 12.798 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -2.151 -51.860 12.737 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -1.477 -50.821 13.653 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -9.010 -55.115 12.402 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -8.260 -55.041 13.024 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -8.585 -55.134 11.516 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -9.128 -52.749 14.221 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -8.317 -53.292 14.233 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -9.705 -53.206 13.595 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -11.058 -50.767 8.771 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -11.856 -50.887 8.219 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -10.491 -51.507 8.530 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -9.901 -53.596 6.850 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -10.058 -54.511 7.155 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -8.943 -53.567 6.682 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -10.447 -57.321 11.650 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -11.316 -57.319 12.100 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -9.982 -56.544 12.027 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -6.880 -54.382 14.020 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -6.539 -54.379 14.932 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.305 -53.734 13.552 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -11.077 -48.234 9.890 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -11.337 -48.406 10.820 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -10.927 -49.131 9.513 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -2.887 -49.895 18.284 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -1.948 -50.143 18.126 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.080 -50.262 19.176 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -2.765 -51.264 20.658 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -2.828 -52.032 20.056 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -2.014 -51.482 21.246 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -2.874 -56.324 13.121 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -2.999 -56.689 14.014 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -1.922 -56.471 12.936 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -1.888 -54.414 16.532 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -1.143 -54.190 15.933 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -2.042 -55.361 16.370 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 0.987 -53.749 20.976 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 0.702 -53.743 20.035 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 1.947 -53.575 20.933 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -3.080 -49.276 15.543 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -3.223 -49.390 16.504 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -2.399 -49.943 15.326 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -3.420 -47.489 19.565 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -3.171 -48.247 18.994 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -3.882 -46.889 18.972 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -13.146 -50.772 7.027 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -13.080 -49.795 6.979 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -14.105 -50.942 7.021 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -5.503 -38.872 -16.542 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -4.810 -39.565 -16.467 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -6.342 -39.379 -16.579 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -2.825 -32.633 -19.581 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -3.074 -32.477 -20.497 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -2.827 -33.595 -19.493 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -10.105 -39.191 -17.686 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -9.812 -38.584 -18.376 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -9.272 -39.479 -17.250 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.652 -45.631 -17.711 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -5.618 -45.561 -18.667 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -5.241 -44.806 -17.394 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -8.082 -42.645 -17.085 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -8.323 -43.182 -16.304 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -8.499 -43.113 -17.836 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -3.051 -45.536 -14.995 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -3.733 -45.937 -14.416 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -2.233 -46.017 -14.762 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -11.648 -39.054 -15.348 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -11.499 -38.163 -14.943 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -11.105 -39.040 -16.161 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -11.222 -36.832 -13.908 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -11.422 -35.875 -13.904 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -10.963 -37.025 -12.986 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -7.469 -37.261 -15.248 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -7.991 -38.075 -15.261 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -6.640 -37.504 -15.700 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -15.817 -40.842 -14.186 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -16.207 -39.968 -14.280 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -15.178 -40.901 -14.940 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -8.044 -34.767 -14.269 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -7.979 -35.699 -14.588 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -7.318 -34.314 -14.722 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -10.438 -37.326 -11.259 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -10.038 -36.434 -11.343 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -10.161 -37.628 -10.376 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -9.515 -34.808 -11.939 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -8.830 -34.819 -12.644 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -10.338 -34.567 -12.413 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -7.929 -47.306 -10.394 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -8.789 -46.840 -10.486 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -7.277 -46.688 -10.783 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -10.935 -42.001 -10.989 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -10.680 -42.823 -11.452 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -11.422 -41.487 -11.661 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -11.565 -42.631 -20.280 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -12.169 -42.365 -20.979 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -11.825 -42.075 -19.511 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -8.920 -44.125 -14.875 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -9.226 -44.195 -13.946 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -8.125 -44.710 -14.909 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -11.931 -41.301 -17.937 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -11.276 -40.580 -17.822 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -11.604 -42.021 -17.355 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -13.317 -44.743 -15.658 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -13.974 -44.749 -16.356 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -12.530 -44.327 -16.070 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -3.796 -41.071 -16.329 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -4.227 -41.954 -16.280 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -2.891 -41.229 -15.987 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -11.771 -39.996 -12.777 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -11.733 -39.694 -13.713 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -11.492 -39.218 -12.267 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.271 -36.323 -17.674 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -4.361 -36.022 -17.480 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -5.275 -37.262 -17.399 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -11.681 -34.115 -13.483 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -11.096 -33.398 -13.823 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -12.564 -33.727 -13.503 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -4.470 -32.055 -13.150 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -4.475 -31.127 -13.460 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -4.187 -32.565 -13.934 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -10.076 -44.380 -12.279 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -10.991 -44.485 -12.631 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -10.027 -45.030 -11.550 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -11.017 -43.604 -16.627 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -10.533 -43.880 -17.434 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -10.378 -43.769 -15.899 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -6.607 -45.574 -15.086 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -6.342 -45.885 -15.979 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -6.046 -46.095 -14.473 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -9.628 -44.015 -18.957 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -9.383 -44.780 -19.487 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -10.279 -43.528 -19.522 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -7.265 -34.511 -17.264 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -8.050 -35.047 -17.409 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -6.518 -35.115 -17.489 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -13.775 -41.888 -12.617 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -14.568 -41.611 -13.119 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -13.161 -41.130 -12.705 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -17.116 -42.103 -12.078 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -18.051 -41.986 -12.251 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -16.676 -41.720 -12.862 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -12.677 -44.354 -13.057 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -13.130 -43.490 -12.932 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -12.971 -44.648 -13.952 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -13.868 -40.543 -16.028 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -13.166 -39.960 -15.674 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -13.483 -40.902 -16.847 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -12.851 -44.921 -10.371 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -12.826 -44.871 -11.349 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -13.683 -44.464 -10.135 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -10.427 -46.166 -10.059 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -11.320 -45.752 -10.114 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -10.476 -46.725 -9.258 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -10.418 -47.778 -7.658 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -9.433 -47.750 -7.632 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -10.631 -48.713 -7.553 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -0.789 -33.600 -13.655 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -1.672 -33.591 -13.279 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -0.379 -34.423 -13.295 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -1.595 -39.186 -14.805 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -1.259 -40.054 -15.115 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -1.717 -38.672 -15.626 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -4.725 -43.636 -15.985 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -4.061 -44.246 -15.587 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -5.569 -43.904 -15.576 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -7.949 -40.092 -16.275 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -8.314 -40.248 -15.370 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -7.886 -41.000 -16.666 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -8.572 -30.949 -10.667 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.109 -31.146 -11.509 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -8.895 -31.829 -10.361 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -7.204 -31.738 -12.958 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -6.285 -31.861 -12.643 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -7.152 -31.946 -13.913 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -7.606 -50.021 -10.582 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -7.772 -49.054 -10.590 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -6.755 -50.113 -10.108 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -9.636 -32.477 -14.163 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -9.022 -32.006 -13.574 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -9.158 -33.299 -14.395 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -6.562 -32.467 -15.611 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -5.594 -32.635 -15.595 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -6.896 -33.073 -16.316 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -7.747 -47.553 -7.684 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -6.985 -48.116 -7.407 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -7.655 -47.489 -8.660 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -5.522 -40.664 -5.427 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -6.232 -41.315 -5.218 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -4.693 -41.177 -5.340 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -9.852 -39.998 4.705 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -9.196 -40.694 4.904 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -10.521 -40.454 4.159 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -4.136 -40.338 1.216 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -3.945 -40.799 2.063 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -4.983 -40.728 0.923 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -10.031 -34.629 0.644 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -10.900 -35.004 0.805 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -10.112 -34.214 -0.244 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -10.042 -43.298 -0.777 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -10.553 -44.116 -0.944 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -10.152 -43.145 0.171 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -7.539 -37.876 -6.782 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -8.257 -38.449 -7.085 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -7.401 -38.134 -5.846 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -6.022 -36.158 -2.801 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -6.112 -36.824 -3.515 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -6.196 -36.653 -1.994 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -10.471 -33.581 -1.856 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -10.128 -32.671 -1.709 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -9.762 -34.021 -2.375 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -6.233 -37.034 7.119 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -6.803 -37.559 6.514 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -6.503 -36.103 6.950 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -11.762 -41.137 -4.761 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -12.542 -40.577 -4.791 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -11.793 -41.637 -5.602 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -10.138 -40.964 -8.663 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -10.792 -41.366 -8.056 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -10.380 -41.334 -9.551 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -7.992 -42.081 5.030 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -8.511 -42.923 5.024 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -7.303 -42.233 5.691 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -6.518 -38.061 3.139 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -7.063 -37.987 3.951 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -6.606 -39.003 2.884 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -8.531 -43.042 -7.227 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -8.953 -42.361 -7.778 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -7.716 -43.284 -7.728 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -10.682 -31.725 -4.351 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -10.776 -32.424 -3.687 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -11.608 -31.503 -4.599 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -13.129 -30.896 -5.288 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -12.853 -30.331 -6.042 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -14.081 -30.779 -5.242 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -7.569 -30.718 -8.118 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -8.005 -30.713 -8.996 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -8.317 -30.603 -7.477 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -9.702 -30.323 -6.486 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -9.889 -30.903 -5.715 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -10.564 -29.919 -6.693 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -11.114 -46.507 3.716 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -11.417 -47.338 3.279 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -10.373 -46.797 4.284 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -15.030 -43.143 -10.491 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -14.452 -42.675 -11.123 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -15.932 -42.941 -10.805 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -9.737 -41.585 -2.952 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.959 -42.202 -2.218 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -10.570 -41.518 -3.472 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -9.340 -44.425 4.970 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -9.100 -45.332 5.233 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -10.094 -44.544 4.377 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -11.722 -45.526 -0.513 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -11.923 -45.527 -1.477 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -11.764 -46.480 -0.262 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -11.503 -41.821 3.149 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -11.236 -42.674 2.747 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -12.460 -41.817 3.075 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -4.372 -28.963 6.574 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -4.826 -29.073 7.430 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -4.940 -28.349 6.079 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -8.309 -39.257 -2.468 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -8.838 -38.890 -1.754 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -8.728 -40.129 -2.651 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -15.898 -44.809 4.094 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -15.025 -45.206 4.330 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -15.771 -43.868 4.225 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -9.898 -38.259 -8.620 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -9.830 -39.239 -8.718 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -10.787 -38.119 -8.275 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -4.309 -41.303 3.817 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -5.244 -41.161 3.572 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -4.354 -41.687 4.715 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -7.687 -42.113 -4.678 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -8.507 -41.935 -4.170 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -8.002 -42.553 -5.495 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -6.243 -43.843 -8.436 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -5.561 -43.233 -8.772 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -5.747 -44.681 -8.258 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -6.528 -38.422 -4.313 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -6.131 -39.253 -4.669 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -7.182 -38.737 -3.642 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -6.843 -40.827 2.851 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -6.990 -41.377 2.063 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -7.404 -41.244 3.546 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -7.284 -34.524 6.804 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -7.877 -34.016 7.377 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -7.807 -34.676 5.990 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -9.580 -33.292 -9.670 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -9.585 -33.828 -10.493 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -9.363 -33.941 -8.970 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -7.854 -45.487 -5.931 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.080 -44.688 -6.444 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -7.786 -46.198 -6.608 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -8.849 -35.624 -8.235 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -8.773 -35.586 -7.274 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -9.085 -36.553 -8.419 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -10.430 -46.259 -5.221 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -10.561 -46.795 -6.025 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.484 -46.007 -5.253 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -11.221 -44.360 1.960 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -11.252 -45.144 2.546 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -11.518 -44.704 1.088 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -12.107 -45.515 -3.204 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -12.897 -45.434 -3.742 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -11.413 -45.812 -3.837 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -7.718 -34.310 2.125 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -8.490 -34.409 1.518 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -7.363 -33.420 1.917 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -11.114 -30.837 -9.400 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -10.910 -31.780 -9.265 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -10.399 -30.523 -9.976 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -8.174 -37.880 5.313 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -8.876 -38.561 5.175 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -8.614 -37.034 5.100 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -11.888 -42.502 -7.185 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -12.610 -42.849 -7.732 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -11.317 -43.270 -7.029 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -17.372 -47.055 3.686 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -16.804 -46.284 3.921 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -17.977 -46.705 3.028 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -11.578 -39.683 13.392 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -12.464 -39.782 13.024 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -11.715 -39.678 14.347 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -6.901 -36.709 9.777 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -6.483 -35.833 9.894 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -6.680 -36.956 8.856 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -16.887 -49.587 4.498 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -17.549 -50.077 3.999 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -17.055 -48.640 4.257 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -13.560 -45.929 4.863 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -12.707 -46.038 4.400 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -13.582 -46.670 5.496 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -15.948 -49.942 7.053 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -16.299 -49.892 6.136 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -16.726 -50.103 7.595 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -13.778 -48.225 6.507 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -14.603 -48.586 6.896 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -13.399 -47.658 7.227 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -2.833 -33.979 2.635 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -3.100 -33.068 2.891 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -3.660 -34.489 2.686 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -3.213 -32.604 11.633 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -4.037 -32.734 12.158 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -3.202 -33.366 11.020 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -5.282 -35.736 2.411 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -5.763 -36.551 2.689 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -5.999 -35.103 2.202 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -3.993 -37.299 8.857 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -4.124 -38.187 9.244 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -4.639 -37.261 8.127 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -5.849 -45.499 -10.838 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -5.412 -45.818 -10.011 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -6.194 -44.628 -10.597 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -8.171 -34.412 -3.016 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -7.557 -35.165 -3.021 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.594 -33.640 -2.885 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -8.818 -35.247 4.505 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -9.743 -35.092 4.280 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -8.326 -34.973 3.696 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -11.786 -48.165 0.136 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -11.892 -48.382 1.085 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -11.458 -48.985 -0.260 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -8.164 -49.640 2.228 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -7.470 -50.232 2.553 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -8.992 -50.144 2.361 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -1.505 -48.124 0.019 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -1.222 -48.371 -0.872 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -1.283 -48.891 0.560 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -12.224 -29.385 -7.397 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -12.457 -28.551 -7.816 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -11.914 -29.952 -8.145 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -5.744 -34.241 9.279 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -5.730 -34.293 8.308 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -4.809 -34.398 9.544 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -11.315 -41.356 19.584 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -10.765 -40.604 19.273 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -12.115 -40.941 19.913 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -6.900 -38.565 22.056 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -7.085 -39.123 21.267 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -5.997 -38.246 21.910 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -10.150 -33.049 19.499 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -10.375 -33.889 19.941 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -9.683 -32.530 20.196 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -9.616 -39.365 18.718 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -9.242 -39.599 17.841 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -9.533 -38.384 18.760 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -8.421 -45.878 19.563 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -8.995 -46.614 19.874 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -8.997 -45.084 19.624 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -6.471 -43.355 14.833 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.008 -43.453 15.631 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -5.685 -43.902 15.009 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.663 -34.651 11.670 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -10.587 -35.572 11.989 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -11.320 -34.243 12.276 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -4.480 -47.052 14.829 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -3.926 -47.721 15.286 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -4.404 -46.251 15.395 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -4.570 -45.718 22.527 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -5.503 -45.794 22.233 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -4.184 -46.607 22.328 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -10.338 -37.272 12.659 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -10.797 -38.083 12.951 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -9.783 -37.575 11.903 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -9.082 -35.958 14.837 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -9.812 -35.545 15.347 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.528 -36.369 14.067 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -10.886 -35.481 20.758 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -10.765 -35.995 21.591 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -11.840 -35.366 20.690 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -7.766 -37.481 16.660 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -8.173 -37.107 17.462 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -8.117 -36.923 15.931 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -10.667 -34.528 16.584 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -10.587 -34.300 17.520 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -10.912 -33.686 16.153 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -3.297 -35.024 10.190 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -3.145 -35.418 11.070 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -3.393 -35.803 9.595 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -14.785 -32.092 12.955 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -15.160 -32.410 12.124 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -15.495 -32.209 13.598 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -10.479 -30.565 13.288 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -10.172 -29.644 13.130 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -9.996 -31.091 12.637 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -7.763 -33.305 16.332 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -7.956 -33.879 15.572 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -7.661 -33.928 17.081 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -7.201 -45.943 22.023 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -7.480 -45.934 21.079 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -7.847 -46.537 22.455 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -5.945 -39.273 12.008 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -6.444 -38.508 11.689 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -5.350 -39.497 11.267 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -12.709 -46.672 8.412 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -12.096 -47.228 8.950 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -12.450 -45.770 8.618 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -9.068 -44.447 27.023 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -8.545 -45.012 26.427 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.801 -44.114 26.461 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -8.273 -40.098 16.391 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -8.029 -40.389 15.483 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -7.985 -39.152 16.421 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -7.620 -40.490 20.254 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -8.369 -40.055 19.786 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -8.055 -41.086 20.898 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -9.830 -47.745 20.946 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -10.221 -48.618 20.842 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -9.663 -47.669 21.907 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -6.648 -29.752 24.852 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -6.061 -29.208 24.268 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -7.498 -29.269 24.844 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -9.621 -41.630 12.704 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.305 -40.946 12.816 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -8.830 -41.250 13.138 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -9.631 -39.460 22.325 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -9.487 -40.424 22.403 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -8.737 -39.083 22.357 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -7.309 -40.771 13.923 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -6.806 -41.596 14.072 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -6.760 -40.264 13.281 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -8.893 -38.312 10.623 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -8.209 -37.673 10.320 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -8.826 -39.043 10.003 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -10.826 -37.104 22.991 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -10.517 -37.955 22.608 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -10.954 -37.307 23.934 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -5.521 -33.316 12.910 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -5.360 -34.157 13.399 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -6.445 -33.369 12.650 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.561 -36.338 23.680 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -7.386 -37.055 23.044 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -7.974 -36.782 24.430 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.136 -36.637 18.937 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -8.528 -35.871 18.850 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -9.814 -36.328 19.572 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -9.004 -33.766 9.649 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.439 -34.544 9.719 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -9.727 -33.938 10.298 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -8.425 -33.712 23.568 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -9.350 -33.979 23.599 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -7.933 -34.562 23.504 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -1.275 -30.930 10.792 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -1.076 -31.256 9.883 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -2.037 -31.491 11.083 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -5.169 -35.793 13.999 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -5.727 -36.526 14.285 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -4.413 -36.222 13.561 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -9.197 -47.114 23.585 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -9.930 -46.537 23.828 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -8.613 -47.102 24.371 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -8.209 -44.122 12.642 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -8.794 -43.343 12.550 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -7.583 -43.869 13.342 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -12.410 -33.529 13.480 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -13.230 -33.025 13.345 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -12.020 -33.144 14.286 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -7.477 -43.726 23.609 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -7.292 -44.538 23.090 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -6.815 -43.739 24.316 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -7.638 -42.176 18.081 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -7.878 -41.547 17.363 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -7.371 -41.595 18.822 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -10.477 -38.721 25.421 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.062 -39.545 25.094 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -9.998 -38.530 26.254 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -6.996 -31.792 9.495 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -7.879 -32.203 9.571 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -6.383 -32.554 9.503 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -9.037 -42.142 22.036 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -9.246 -42.749 21.291 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -8.548 -42.709 22.678 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -4.302 -39.901 9.771 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -3.378 -40.191 9.935 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -4.661 -40.579 9.182 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -11.614 -42.143 23.325 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -11.991 -41.267 23.199 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -10.801 -42.132 22.789 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -9.927 -42.883 29.058 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -9.475 -43.554 28.491 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -10.843 -43.182 29.085 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -7.332 -46.399 25.653 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -6.573 -46.455 25.058 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -6.961 -46.621 26.528 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -3.798 -48.261 22.262 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -3.788 -48.410 21.300 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -2.948 -48.637 22.571 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -5.011 -39.917 28.232 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -5.260 -40.865 28.264 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -5.836 -39.450 28.394 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -4.584 -42.274 6.403 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -4.868 -43.217 6.373 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -3.660 -42.317 6.715 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -4.349 -44.789 16.370 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -3.733 -44.076 16.648 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -5.074 -44.757 17.037 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -1.218 -49.029 22.793 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -1.049 -49.906 22.395 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -0.707 -49.045 23.627 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -3.672 -43.359 23.486 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -3.892 -44.208 23.043 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -4.026 -43.461 24.383 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -8.820 -27.923 24.785 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -8.533 -27.682 25.696 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -9.409 -27.187 24.524 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -3.840 -45.831 25.136 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -4.096 -45.874 24.193 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -2.894 -46.101 25.137 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.101 -28.475 19.888 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -9.821 -28.789 20.773 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -10.080 -27.493 19.968 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -8.805 -31.703 21.456 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -8.578 -32.190 22.267 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -8.792 -30.760 21.729 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -6.540 -44.672 17.941 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -6.936 -43.781 18.035 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -7.136 -45.255 18.460 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -7.834 -46.545 11.323 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -8.666 -46.676 10.849 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -7.955 -45.682 11.787 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -9.585 -43.414 19.659 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -10.392 -42.848 19.599 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -8.989 -43.049 18.974 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -13.139 -29.863 12.880 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -13.742 -30.633 12.883 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -12.258 -30.251 13.049 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -6.986 -32.417 25.538 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -7.486 -32.862 24.822 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -6.839 -31.510 25.197 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -11.156 -43.111 25.815 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -11.534 -42.383 26.360 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -11.502 -42.936 24.911 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -11.717 -40.778 27.130 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -11.455 -40.495 28.025 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.591 -39.985 26.583 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -2.299 -33.130 31.509 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -1.481 -32.736 31.896 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -1.969 -33.696 30.788 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -8.021 -41.336 27.741 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -7.185 -41.841 27.856 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -8.688 -41.869 28.220 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -2.042 -42.911 27.768 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -2.196 -41.970 27.985 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -2.821 -43.373 28.140 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -9.121 -38.830 27.821 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -8.552 -39.617 27.707 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.685 -39.056 28.583 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -0.080 -31.910 32.505 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 0.571 -31.671 33.169 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -0.397 -31.047 32.156 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -7.726 -32.885 28.108 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -8.027 -33.794 28.026 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -7.456 -32.640 27.194 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.164 -41.191 25.201 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -9.812 -41.913 25.295 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -8.658 -41.215 26.039 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -5.612 -42.586 28.065 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -5.105 -43.350 28.413 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -5.462 -42.621 27.094 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -2.334 -40.060 27.924 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -3.302 -39.941 28.080 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -1.956 -39.168 28.085 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.623 -40.294 29.688 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -10.822 -40.241 30.629 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -10.278 -41.207 29.566 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -3.978 -44.676 28.807 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -3.605 -45.110 29.585 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -4.402 -45.409 28.304 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -2.544 -47.834 28.237 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -1.875 -48.525 28.282 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -2.030 -47.012 28.091 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -4.087 -27.460 -16.094 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -3.282 -28.023 -16.152 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -3.762 -26.567 -16.265 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -2.086 -26.611 -11.192 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -2.520 -27.382 -11.621 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -2.752 -26.287 -10.560 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -7.484 -29.842 -15.657 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -7.139 -30.745 -15.826 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -8.438 -29.930 -15.771 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -3.432 -21.652 -15.439 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -2.880 -20.943 -15.052 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -4.033 -21.914 -14.710 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 0.970 -17.680 -11.933 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 1.609 -18.314 -12.299 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 0.111 -18.162 -11.976 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -5.061 -24.361 -11.617 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -5.543 -25.145 -11.943 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -4.644 -24.667 -10.785 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -6.585 -27.215 -15.127 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -7.028 -28.028 -15.433 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -5.699 -27.251 -15.551 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -6.794 -26.284 -12.612 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -7.622 -25.807 -12.728 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -6.569 -26.599 -13.523 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -6.252 -28.319 -10.844 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -7.028 -28.886 -10.957 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -6.444 -27.532 -11.402 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -1.582 -19.687 -14.667 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -1.327 -19.701 -13.718 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -1.514 -18.740 -14.917 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -2.463 -15.984 -13.069 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -1.642 -15.580 -12.729 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -2.188 -16.418 -13.899 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -3.200 -21.106 -11.790 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -3.993 -21.417 -12.273 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.519 -21.786 -11.990 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -3.837 -25.358 -9.288 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -3.103 -24.846 -8.927 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -4.295 -25.709 -8.499 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -5.115 -22.292 -13.344 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -6.066 -22.233 -13.481 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -5.005 -23.080 -12.753 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -3.824 -28.529 -12.205 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -4.151 -28.930 -13.032 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -4.603 -28.524 -11.619 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -5.864 -32.851 -7.984 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -5.515 -32.918 -8.892 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -6.499 -32.098 -8.023 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -5.964 -29.482 3.068 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -6.130 -28.966 3.879 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -6.087 -28.841 2.350 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -4.008 -22.708 5.939 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -4.508 -21.935 6.271 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -4.314 -23.445 6.497 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -6.585 -27.340 0.695 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -7.402 -26.841 0.794 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -5.889 -26.735 1.040 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -5.188 -32.361 -5.236 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -4.893 -31.432 -5.381 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -5.619 -32.605 -6.072 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -2.948 -16.119 -8.187 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -3.324 -16.404 -9.045 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -3.291 -15.210 -8.067 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -6.280 -26.743 9.297 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -5.904 -27.645 9.214 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -7.158 -26.892 9.709 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -9.958 -20.575 8.355 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -10.558 -21.097 7.814 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -9.674 -21.194 9.067 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -2.979 -25.891 -5.136 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -3.626 -26.027 -5.858 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -3.489 -26.077 -4.318 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -4.344 -18.567 7.864 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -3.530 -19.099 8.028 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -4.056 -17.889 7.219 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -4.318 -23.553 0.094 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -4.595 -24.294 0.663 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -4.734 -22.769 0.503 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -3.041 -19.233 -9.829 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -3.294 -19.976 -10.416 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -3.472 -18.453 -10.225 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -7.360 -24.956 5.779 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -8.102 -25.046 6.426 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -7.398 -24.010 5.505 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.665 -17.068 10.139 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -4.528 -17.569 9.306 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -4.185 -16.220 9.993 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -9.827 -18.348 9.920 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -8.913 -18.358 10.262 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -9.861 -19.118 9.300 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -1.248 -18.271 -8.119 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -1.772 -17.456 -7.956 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -1.825 -18.806 -8.721 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -5.443 -24.601 7.755 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -5.495 -25.422 8.290 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -6.083 -24.750 7.028 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -7.510 -22.236 5.487 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -8.269 -21.645 5.529 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -6.795 -21.737 5.937 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -10.745 -27.117 8.847 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -11.068 -27.841 8.298 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -11.561 -26.769 9.288 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -9.144 -25.115 7.807 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -9.763 -25.823 8.083 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -8.867 -24.704 8.641 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -8.683 -27.002 10.609 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -9.012 -27.403 11.444 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -9.424 -27.129 9.974 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -7.144 -17.837 10.968 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -7.408 -17.090 11.531 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -6.228 -17.603 10.678 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -0.763 -19.909 -3.930 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -0.978 -20.761 -3.525 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -0.938 -19.260 -3.226 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -1.396 -21.735 -1.254 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -1.786 -21.704 -0.351 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -1.799 -22.539 -1.658 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -5.175 -21.351 1.574 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -5.804 -21.626 2.252 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.267 -20.368 1.549 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -0.581 -20.507 -6.602 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -0.884 -19.754 -7.150 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -0.740 -20.212 -5.681 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -5.006 -26.585 -6.863 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -5.501 -26.801 -6.048 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -5.154 -27.365 -7.444 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -2.691 -24.023 -2.015 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -3.259 -24.573 -2.580 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -3.243 -23.857 -1.212 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -5.729 -20.828 7.048 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.917 -21.250 7.913 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -5.372 -19.945 7.285 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -6.139 -22.388 9.252 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -6.937 -22.865 9.546 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -5.633 -23.062 8.748 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -5.582 -28.848 -8.239 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.275 -29.536 -8.128 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -5.631 -28.613 -9.192 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.920 -26.545 -2.633 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.623 -27.168 -2.357 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -3.166 -26.770 -2.063 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -4.844 -25.636 1.916 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -3.859 -25.557 1.938 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -5.106 -25.528 2.839 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -6.231 -27.809 -4.546 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -6.056 -27.955 -3.590 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -7.190 -27.871 -4.621 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -6.534 -27.574 5.240 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -7.202 -27.967 5.813 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -6.731 -26.611 5.271 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -3.922 -31.586 3.481 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.378 -31.405 4.280 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -4.495 -30.801 3.403 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -9.141 -31.229 -1.795 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -9.157 -30.967 -2.726 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -8.239 -31.005 -1.495 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -5.917 -28.364 -1.805 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -6.015 -29.332 -1.663 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -6.179 -27.973 -0.944 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -4.652 -29.743 -5.746 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -5.149 -29.067 -5.247 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -4.752 -29.472 -6.678 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -5.551 -29.426 9.185 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -6.187 -30.180 9.231 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.831 -29.694 9.768 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -8.408 -13.457 8.158 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -8.515 -14.431 8.175 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -9.324 -13.115 8.219 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -6.845 -22.070 19.062 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -6.913 -21.142 18.759 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -7.289 -22.065 19.927 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -10.700 -21.541 19.934 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -10.771 -21.221 19.011 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -11.048 -22.436 19.900 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -7.399 -25.552 21.647 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -6.915 -25.123 22.358 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -6.988 -26.449 21.583 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -16.141 -25.684 15.749 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -15.870 -24.805 15.426 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -15.478 -25.911 16.406 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -10.901 -20.634 17.304 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -11.590 -20.093 16.881 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -10.124 -20.023 17.382 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -9.040 -22.025 10.460 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -8.378 -21.555 10.996 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -8.774 -22.961 10.518 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -5.505 -19.875 23.058 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -5.400 -19.687 22.094 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -6.243 -20.513 23.098 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -18.523 -24.598 14.914 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -17.869 -25.252 15.236 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -19.372 -25.036 15.023 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -11.117 -17.299 17.904 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -10.351 -17.926 17.954 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -11.402 -17.196 18.837 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -4.670 -15.963 13.571 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -4.572 -15.150 14.100 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -5.452 -15.783 13.007 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -4.557 -15.926 26.277 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -4.805 -16.777 25.833 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -4.627 -15.268 25.576 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -10.927 -18.704 23.550 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -11.016 -18.009 22.889 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -11.819 -18.783 23.935 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -14.034 -13.316 18.610 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -14.215 -14.276 18.581 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -13.604 -13.184 19.488 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -9.855 -14.430 11.774 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -9.315 -14.534 10.974 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -9.301 -13.868 12.365 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -9.791 -25.799 20.313 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -8.952 -25.585 20.779 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -10.491 -25.514 20.940 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -10.088 -25.427 24.569 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -10.434 -25.137 25.448 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -9.363 -24.815 24.390 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -13.031 -26.434 10.045 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -12.910 -26.687 10.987 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -13.933 -26.103 10.004 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.697 -19.745 26.718 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -6.861 -19.088 27.428 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -7.473 -19.651 26.118 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -7.641 -21.547 23.678 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -7.983 -21.405 22.765 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -8.208 -20.977 24.235 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -9.519 -26.831 15.432 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -9.779 -25.974 15.794 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -9.901 -27.485 16.064 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -16.238 -23.086 14.671 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -17.123 -23.473 14.868 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -16.356 -22.661 13.816 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -8.697 -29.057 22.206 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -8.835 -28.732 23.119 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -7.842 -28.644 21.934 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -6.945 -24.501 17.900 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -6.796 -23.610 18.309 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -7.394 -25.003 18.594 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -13.523 -22.387 15.384 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -14.477 -22.550 15.276 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -13.463 -21.435 15.584 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -7.768 -24.449 10.231 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -6.961 -24.833 9.843 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -8.226 -25.221 10.631 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -9.030 -19.604 25.268 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -9.457 -19.221 26.057 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -9.630 -19.349 24.527 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -10.744 -18.543 12.577 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -10.538 -18.474 11.625 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -11.705 -18.441 12.620 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -8.317 -14.107 22.514 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -7.647 -14.640 22.038 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -9.153 -14.320 22.056 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -14.865 -17.323 16.543 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -15.485 -16.695 16.124 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -14.768 -16.988 17.460 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -13.288 -19.488 15.599 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -13.900 -18.856 16.030 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -13.256 -19.193 14.675 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -12.862 -16.590 22.901 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -13.134 -17.155 23.656 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -12.619 -15.732 23.319 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -15.921 -12.717 14.673 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -15.741 -11.987 14.046 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -16.050 -12.265 15.538 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -8.350 -20.814 21.120 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -8.056 -20.142 20.468 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -9.261 -21.047 20.826 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -9.488 -20.152 14.346 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -9.553 -19.722 15.208 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -9.983 -19.556 13.739 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -9.540 -14.472 24.975 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -8.997 -14.339 24.172 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -8.885 -14.533 25.700 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -3.043 -14.851 10.116 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.447 -14.123 10.640 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -2.254 -15.089 10.614 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -14.409 -16.471 8.811 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -14.902 -16.129 8.061 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -14.520 -15.786 9.505 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -14.370 -16.023 13.254 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -14.315 -16.995 13.125 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -15.175 -15.896 13.802 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -11.608 -25.184 22.304 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -11.074 -25.313 23.118 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -12.514 -25.147 22.620 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -9.915 -27.890 12.920 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -10.835 -27.598 12.745 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -9.687 -27.457 13.774 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -11.096 -32.050 15.468 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -10.873 -31.498 14.685 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -10.520 -31.700 16.177 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -16.286 -15.387 15.096 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -16.138 -14.418 14.949 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -17.246 -15.469 15.157 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -8.568 -16.134 8.707 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -7.720 -16.541 8.909 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -9.224 -16.792 8.996 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -9.927 -17.936 27.393 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -9.827 -17.053 27.009 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -9.682 -17.818 28.335 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -6.891 -13.281 10.376 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -6.064 -12.816 10.210 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -7.371 -13.237 9.515 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -12.720 -18.027 10.312 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -13.286 -17.528 9.677 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -11.838 -18.023 9.900 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -5.254 -19.195 20.485 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -4.876 -18.347 20.206 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -6.040 -19.312 19.900 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -13.726 -18.715 12.727 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -14.024 -19.626 12.605 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -13.456 -18.428 11.818 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -10.807 -22.975 15.875 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -10.795 -22.192 16.466 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -11.737 -23.026 15.575 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -12.062 -19.616 26.915 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -11.338 -18.997 27.132 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -11.748 -20.477 27.253 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -6.746 -20.733 11.438 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -6.338 -21.100 10.623 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -6.785 -19.768 11.274 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -8.527 -22.223 29.631 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -8.574 -23.016 30.195 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -7.798 -21.703 30.015 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -10.678 -24.354 26.996 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -10.257 -24.752 27.783 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -10.860 -23.432 27.263 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -7.914 -26.936 27.175 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -7.438 -27.527 27.803 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -8.401 -26.323 27.751 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -14.528 -14.671 10.862 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -14.537 -15.147 11.719 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -13.671 -14.182 10.869 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -6.856 -15.359 20.476 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -6.795 -14.553 19.915 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -6.055 -15.861 20.260 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -3.271 -12.914 19.307 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -3.601 -13.383 20.104 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -4.063 -12.495 18.930 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -4.991 -18.332 25.148 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -5.212 -18.778 24.290 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -5.440 -18.885 25.820 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -5.109 -30.161 27.077 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -5.632 -30.033 26.252 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -5.185 -31.107 27.261 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -13.411 -11.979 24.458 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -13.710 -11.866 25.362 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -13.947 -11.335 23.947 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -11.961 -14.160 23.702 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -12.432 -13.365 24.045 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -11.145 -14.212 24.252 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -9.585 -15.358 20.336 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -9.646 -14.991 19.422 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -8.644 -15.621 20.422 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -14.382 -16.094 18.973 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -15.010 -16.134 19.707 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -13.508 -16.263 19.397 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -12.054 -16.373 20.360 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -11.125 -16.053 20.492 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -12.378 -16.555 21.278 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -10.539 -28.666 17.202 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -10.473 -28.520 18.176 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -11.114 -29.436 17.119 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -9.286 -31.376 17.453 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -8.689 -32.035 17.026 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -9.635 -31.849 18.243 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -12.638 -27.223 12.658 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -13.078 -26.841 13.427 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -12.918 -28.173 12.666 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -12.225 -13.290 11.145 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -12.274 -12.589 11.833 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -11.374 -13.747 11.332 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -6.677 -28.696 28.831 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -7.147 -29.425 29.303 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -6.060 -29.163 28.228 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -7.750 -14.434 27.040 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -7.094 -14.860 27.624 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -7.956 -13.606 27.482 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -10.911 -21.850 28.310 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -9.972 -21.901 28.609 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -11.417 -21.844 29.129 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -7.887 -19.851 34.818 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -8.396 -19.378 35.483 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -6.992 -19.935 35.216 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -8.408 -22.000 33.142 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -8.387 -21.332 33.856 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -7.768 -21.666 32.488 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -7.631 -30.926 30.015 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -7.191 -31.394 30.732 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -7.768 -31.616 29.327 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -5.687 -15.361 28.668 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -5.010 -15.075 29.291 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -5.191 -15.530 27.832 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -9.539 -25.577 29.240 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -9.969 -26.359 29.602 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -9.263 -25.067 30.032 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -8.702 -24.232 31.576 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -8.807 -23.460 32.184 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -8.031 -24.775 32.004 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -2.790 -19.572 35.496 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -2.586 -19.412 34.552 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -1.956 -19.874 35.870 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -9.103 -17.499 30.079 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -8.839 -18.116 30.808 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -9.537 -16.772 30.537 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -8.106 -18.898 32.158 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -8.103 -19.088 33.116 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -7.550 -19.604 31.775 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -6.744 -17.878 28.749 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -7.604 -17.813 29.218 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -6.401 -16.960 28.753 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -13.405 -18.466 24.849 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -14.319 -18.737 24.972 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -12.933 -18.853 25.627 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -2.542 -19.074 32.764 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -2.318 -18.137 32.748 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -2.491 -19.346 31.821 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -5.399 -19.990 36.069 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -4.464 -19.700 35.939 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -5.412 -20.344 36.964 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -5.246 -26.735 25.554 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -5.199 -27.167 24.662 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -6.179 -26.808 25.805 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -6.537 -21.026 31.278 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -5.990 -20.778 30.495 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -5.898 -20.985 32.034 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -2.400 -27.834 29.725 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -2.705 -27.828 28.792 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -3.223 -27.951 30.241 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -3.007 -8.022 -13.024 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -2.778 -7.445 -12.257 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -2.910 -7.446 -13.788 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -1.370 -3.802 -12.501 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -1.821 -3.137 -13.035 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -1.487 -3.488 -11.573 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -3.925 -16.773 -10.839 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -3.376 -16.486 -11.606 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.826 -16.756 -11.175 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -2.295 -12.223 -13.871 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -2.993 -11.612 -13.522 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -2.597 -13.101 -13.606 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -1.097 -17.056 -15.361 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -0.420 -16.368 -15.179 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -1.338 -16.909 -16.302 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -10.917 -12.474 8.764 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -11.217 -11.577 8.595 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -11.503 -12.793 9.476 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -6.211 -10.972 15.251 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -5.824 -10.298 14.681 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -7.087 -10.607 15.490 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -8.426 -9.534 16.203 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -8.701 -10.231 16.842 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -8.516 -8.713 16.700 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -7.314 -11.688 21.739 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -7.797 -12.460 22.117 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -6.636 -11.489 22.395 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -12.823 -13.734 21.040 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -12.476 -14.597 20.769 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -12.593 -13.673 21.988 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -6.915 -14.993 12.416 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -6.832 -14.447 11.597 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.205 -14.354 13.094 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -8.897 -9.942 20.338 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -8.314 -10.563 20.824 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -9.160 -9.298 21.000 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -15.020 -10.026 23.356 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -14.863 -9.863 22.421 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -15.700 -9.390 23.600 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -13.820 -8.401 12.111 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -14.317 -9.171 12.463 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -14.492 -7.864 11.680 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -15.792 -11.732 17.179 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -15.973 -10.941 17.693 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -15.239 -12.284 17.772 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -10.272 -12.740 15.930 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -11.251 -12.675 16.021 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -9.924 -12.200 16.675 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -11.154 -8.921 12.493 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -12.114 -8.700 12.425 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -10.725 -8.276 11.920 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -8.978 -10.275 13.621 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -9.709 -9.766 13.221 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -8.849 -9.861 14.499 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -15.895 -12.322 10.752 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -16.760 -12.471 10.362 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -15.460 -13.200 10.717 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -12.197 -11.447 13.163 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -11.914 -11.651 14.068 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -11.727 -10.613 12.946 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -4.803 -13.293 14.437 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -4.002 -13.197 14.997 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -5.429 -12.631 14.797 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -9.882 -14.768 17.760 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -9.984 -14.186 16.985 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -10.487 -15.506 17.589 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -9.093 -11.421 18.054 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -9.202 -10.865 18.861 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -8.483 -12.133 18.340 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -5.223 -11.475 17.772 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -4.335 -11.083 17.617 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -5.685 -11.354 16.917 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -12.988 -12.627 16.105 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -13.818 -12.465 15.631 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -13.271 -12.797 17.029 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -8.625 -13.006 13.748 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -8.547 -12.053 13.515 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -9.186 -13.005 14.557 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -14.901 -10.868 12.807 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -13.978 -11.190 12.847 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -15.285 -11.330 12.022 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 9.398 -52.311 -8.926 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 8.591 -51.825 -8.620 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 9.291 -52.355 -9.908 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 13.795 -51.342 -10.568 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 14.121 -52.262 -10.490 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 14.238 -50.998 -11.368 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 4.061 -50.575 -8.281 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 4.450 -50.864 -9.129 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 4.345 -51.254 -7.645 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 5.610 -50.821 -10.594 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 5.458 -49.895 -10.875 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 6.038 -51.238 -11.370 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 9.557 -54.988 -8.579 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 9.423 -54.028 -8.755 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 8.748 -55.403 -8.902 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 10.676 -51.317 -13.415 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 11.412 -51.621 -13.997 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 10.385 -50.469 -13.817 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 13.770 -58.331 -14.278 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 14.595 -58.523 -14.721 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 13.638 -57.372 -14.418 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -5.200 -50.628 -9.442 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -4.270 -50.407 -9.214 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -5.116 -51.210 -10.230 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -0.634 -49.528 -10.620 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 0.227 -49.376 -10.214 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -0.483 -50.294 -11.225 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 9.028 -52.358 -11.550 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 8.169 -52.162 -11.980 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 9.685 -52.223 -12.263 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 12.769 -52.065 -14.997 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 13.665 -51.771 -14.699 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 12.847 -52.122 -15.953 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 15.275 -51.336 -14.309 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 15.654 -51.779 -13.525 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 15.953 -50.678 -14.558 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 14.442 -50.493 -8.062 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 14.187 -50.812 -8.957 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 15.167 -49.878 -8.228 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 13.559 -55.593 -14.677 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 14.000 -54.891 -14.187 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 12.745 -55.189 -14.992 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -2.899 -51.247 -12.972 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -3.699 -51.624 -12.553 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -3.050 -50.283 -12.947 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 4.882 -47.952 -8.579 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 4.566 -48.839 -8.300 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 4.099 -47.381 -8.492 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -0.340 -51.647 -12.279 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -1.269 -51.545 -12.605 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -0.079 -52.518 -12.584 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 6.988 -48.823 -13.365 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 6.467 -48.511 -12.589 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 6.880 -48.100 -14.031 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 6.865 -51.491 -12.979 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 6.948 -50.532 -13.201 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 6.499 -51.887 -13.777 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 9.732 -48.761 -13.612 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 9.875 -47.887 -14.040 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 8.761 -48.805 -13.485 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 4.599 -57.410 -1.630 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 5.349 -57.367 -2.242 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 4.021 -56.670 -1.909 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -4.288 -56.586 -0.278 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -4.420 -57.514 -0.528 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -5.190 -56.256 -0.083 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 17.152 -61.456 4.116 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 16.217 -61.177 3.973 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 17.623 -61.131 3.313 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 7.508 -58.195 1.782 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 7.989 -57.362 1.788 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 7.776 -58.622 0.944 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -5.857 -60.168 -1.924 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -5.938 -60.404 -2.850 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -4.932 -59.838 -1.837 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 1.483 -62.173 -0.687 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 1.382 -62.789 -1.417 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 1.200 -61.307 -1.060 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 13.155 -60.126 7.334 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 14.102 -60.379 7.309 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 13.159 -59.233 7.727 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 12.406 -59.440 -2.513 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 13.179 -59.563 -1.900 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 12.557 -60.088 -3.211 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -1.414 -60.073 0.485 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -2.284 -60.241 0.920 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -0.802 -60.672 0.945 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -6.001 -52.549 -7.340 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -6.351 -52.035 -8.080 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -5.054 -52.686 -7.572 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 11.994 -58.134 -8.167 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 12.260 -58.794 -8.815 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 11.250 -58.563 -7.678 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 7.715 -57.635 -2.825 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 7.083 -57.260 -3.480 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 8.294 -56.870 -2.588 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -3.371 -59.133 -1.544 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -3.040 -58.417 -2.135 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -2.588 -59.407 -1.040 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 10.072 -59.383 -6.729 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 9.331 -59.994 -6.748 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 10.125 -59.099 -5.784 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 1.353 -52.930 -1.903 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 1.199 -53.094 -2.856 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 1.035 -52.020 -1.770 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 10.687 -61.303 7.803 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 10.559 -60.877 8.673 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 11.621 -61.104 7.573 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 10.602 -59.515 3.658 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 9.908 -59.446 2.987 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 11.385 -59.838 3.159 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 12.956 -56.320 -6.307 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 12.853 -55.760 -7.100 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 12.721 -57.214 -6.621 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 5.476 -61.953 1.208 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 4.827 -61.674 1.883 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 5.285 -61.376 0.443 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 0.652 -59.682 -1.360 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -0.152 -59.684 -0.808 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 0.908 -58.738 -1.406 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 6.618 -63.332 3.305 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 6.930 -64.184 2.992 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 6.300 -62.878 2.492 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 5.383 -61.909 5.282 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 5.358 -62.459 6.093 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 5.888 -62.457 4.635 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 8.223 -59.324 -0.675 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 8.023 -58.735 -1.438 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 7.485 -59.952 -0.662 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -3.693 -60.197 1.919 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -4.505 -59.919 1.432 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -4.012 -60.844 2.556 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 4.747 -58.421 2.877 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 4.370 -57.770 2.243 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 5.709 -58.381 2.712 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 10.955 -59.889 -0.070 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 11.381 -59.702 -0.925 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 10.006 -59.724 -0.235 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 1.195 -56.986 -0.964 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 1.917 -56.406 -1.284 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 0.413 -56.419 -0.980 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 4.606 -60.073 -0.707 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 4.632 -59.137 -0.995 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 3.688 -60.336 -0.844 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 3.099 -55.055 -1.847 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 2.468 -54.304 -1.757 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 3.885 -54.652 -2.286 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 9.337 -55.572 -2.253 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 10.040 -55.220 -1.703 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 8.720 -54.804 -2.380 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 3.347 -55.478 8.256 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 3.982 -55.637 7.505 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 2.916 -54.646 8.023 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 11.050 -52.203 -6.809 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 10.673 -53.011 -6.394 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 10.526 -52.098 -7.635 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -0.756 -60.746 3.477 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 0.115 -60.940 3.071 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -0.598 -60.830 4.438 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 10.283 -54.659 -5.946 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 10.770 -55.425 -5.606 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 9.990 -54.939 -6.842 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 5.538 -52.575 -6.687 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 4.834 -52.615 -6.008 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 6.283 -53.074 -6.286 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 0.321 -50.354 -2.705 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -0.476 -50.590 -3.190 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 0.941 -50.045 -3.401 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -1.634 -53.025 -5.700 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -2.348 -52.569 -5.207 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -0.956 -53.200 -5.032 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 3.793 -61.000 3.181 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 4.198 -61.333 4.012 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 4.122 -60.075 3.109 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 3.872 -52.363 -4.502 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 4.251 -51.472 -4.362 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 4.422 -52.952 -3.928 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 14.606 -60.550 4.015 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 14.021 -60.504 3.224 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 14.004 -60.768 4.738 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 12.737 -60.033 2.063 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 12.943 -59.065 2.007 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 12.241 -60.217 1.235 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 1.168 -52.870 -4.679 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 0.945 -52.590 -5.575 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 2.130 -52.669 -4.600 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 7.149 -51.061 -8.318 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 6.564 -51.513 -7.673 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 6.561 -50.863 -9.074 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -2.989 -56.990 7.322 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -2.597 -56.141 7.085 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -2.210 -57.561 7.542 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 6.020 -56.113 -4.346 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 6.502 -55.710 -5.085 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 5.686 -55.340 -3.834 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 7.587 -53.939 -5.323 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 8.539 -54.100 -5.454 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 7.502 -53.766 -4.352 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -5.285 -56.624 8.734 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -4.432 -56.784 8.267 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -5.010 -56.351 9.647 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -2.665 -57.069 -3.235 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -2.465 -56.925 -4.163 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -2.972 -56.193 -2.917 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 0.872 -58.322 1.598 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 1.232 -59.230 1.644 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 1.253 -57.954 0.778 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 12.316 -55.445 -8.819 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 12.277 -56.426 -8.825 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 11.377 -55.172 -8.870 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 1.408 -61.062 1.814 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 2.266 -61.162 2.289 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 1.520 -61.603 0.999 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 3.840 -56.652 0.987 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 4.170 -56.934 0.112 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 3.617 -55.719 0.869 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 8.036 -61.828 8.688 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 7.604 -61.139 8.133 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 8.901 -61.970 8.260 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 8.102 -53.456 8.075 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 8.095 -52.499 7.855 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 7.271 -53.796 7.663 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -1.158 -60.899 6.239 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -1.990 -60.436 5.979 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -1.453 -61.765 6.539 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -3.327 -52.613 -7.827 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -2.983 -51.777 -8.206 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -2.631 -52.891 -7.195 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 13.842 -55.153 8.028 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 13.530 -55.978 8.445 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 13.826 -54.496 8.755 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 14.158 -57.065 -2.485 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 13.413 -57.679 -2.610 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 14.268 -57.020 -1.501 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 14.884 -55.502 -4.615 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 14.169 -55.838 -5.202 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 14.718 -55.955 -3.761 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 10.078 -58.779 -4.100 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 10.775 -58.842 -3.423 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 9.311 -58.412 -3.621 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 10.928 -57.405 7.071 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 11.437 -57.145 6.270 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 10.313 -58.098 6.746 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 15.846 -60.658 7.295 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 16.813 -60.506 7.249 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 15.740 -61.589 6.994 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 9.473 -59.551 6.106 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 9.933 -60.270 6.590 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 9.848 -59.594 5.198 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 12.152 -57.369 4.582 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 12.620 -57.236 3.724 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 11.577 -58.137 4.414 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 0.152 -57.702 4.899 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 0.027 -57.727 5.861 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 1.115 -57.570 4.787 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -6.090 -59.649 0.716 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -6.152 -59.893 -0.239 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -6.822 -60.155 1.142 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -1.715 -46.773 -5.888 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -2.250 -46.397 -5.180 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -2.372 -47.205 -6.481 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -2.607 -50.121 -8.762 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -2.794 -49.260 -8.318 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -1.886 -49.913 -9.393 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 8.729 -58.025 17.229 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 7.933 -58.182 17.782 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 8.380 -57.919 16.337 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 6.502 -58.176 18.821 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 6.197 -58.813 19.477 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 5.670 -57.735 18.511 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 13.742 -54.981 20.233 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 13.210 -55.619 19.736 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 14.412 -55.520 20.674 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -0.389 -50.919 18.046 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 0.065 -50.480 18.808 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -0.174 -51.872 18.158 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 1.917 -58.575 15.708 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 2.371 -59.088 16.382 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 1.455 -57.869 16.214 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 3.781 -54.318 20.202 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 3.820 -54.230 19.226 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 4.689 -54.114 20.494 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 4.178 -56.953 18.247 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 4.214 -56.042 17.881 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 3.357 -56.960 18.779 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 1.035 -56.100 22.339 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 0.892 -55.237 21.892 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 1.289 -55.863 23.233 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 2.632 -51.662 18.956 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 2.467 -50.766 18.592 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 3.592 -51.675 19.129 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -2.352 -53.572 13.207 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -2.653 -54.490 13.062 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -1.508 -53.674 13.705 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 9.699 -51.743 17.941 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 8.967 -51.844 18.560 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 9.276 -51.810 17.058 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 4.938 -58.775 8.143 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 5.620 -59.341 7.716 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 4.125 -58.988 7.673 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 5.747 -63.274 7.752 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 5.618 -64.079 8.259 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 6.508 -62.838 8.183 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 11.328 -58.307 18.057 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 10.426 -58.089 17.743 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 11.416 -59.245 17.885 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 0.707 -53.385 18.294 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 0.933 -53.768 17.416 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 1.485 -52.817 18.514 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 1.950 -56.413 19.714 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 2.524 -55.653 19.949 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 1.514 -56.648 20.558 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 5.367 -51.679 18.923 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 5.312 -51.798 17.958 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 5.885 -52.456 19.236 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 6.902 -60.163 6.855 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 6.436 -60.637 6.134 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 7.711 -59.803 6.426 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 2.234 -57.905 13.114 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 2.184 -58.773 12.699 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 2.193 -58.101 14.084 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 13.971 -51.932 5.869 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 13.034 -51.766 5.732 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 14.329 -51.066 6.171 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -1.067 -51.231 15.386 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -0.748 -51.076 16.300 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -0.750 -52.132 15.172 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 7.670 -52.091 22.359 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 7.465 -51.702 23.236 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 8.640 -51.969 22.266 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 9.154 -57.538 9.238 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 8.263 -57.182 9.016 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 9.713 -57.270 8.481 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 3.897 -54.338 17.455 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 4.320 -53.537 17.092 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 3.069 -54.431 16.920 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 -0.780 -58.488 7.593 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 0.163 -58.265 7.762 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 -0.750 -59.401 7.238 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 0.742 -56.609 17.167 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 0.999 -55.757 16.745 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 1.035 -56.511 18.099 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 5.222 -51.095 21.631 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 6.099 -51.480 21.827 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 5.152 -51.147 20.660 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 10.023 -57.357 11.829 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 9.756 -57.283 10.889 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 10.934 -57.687 11.790 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 8.101 -55.949 19.490 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 7.488 -56.689 19.322 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 8.887 -56.173 18.976 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 -4.796 -55.834 11.235 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 -4.106 -56.038 11.905 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 -5.533 -55.484 11.753 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 4.360 -50.913 24.159 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 5.207 -51.085 24.601 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 4.590 -50.915 23.198 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 6.619 -53.725 20.239 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 7.051 -53.312 21.014 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 7.188 -54.503 20.033 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 6.634 -56.686 8.388 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 6.041 -57.471 8.356 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 6.450 -56.219 7.550 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 10.434 -51.679 22.142 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 10.748 -51.271 21.311 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 11.127 -52.345 22.355 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 15.243 -49.820 7.024 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 16.192 -50.048 6.888 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 15.265 -48.884 7.332 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 9.762 -54.055 12.134 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 10.293 -54.116 12.935 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 10.356 -54.404 11.423 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 0.776 -49.494 20.039 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 1.193 -49.909 20.809 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 1.076 -48.563 20.075 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 -0.134 -56.428 13.339 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 0.061 -55.533 13.691 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 0.746 -56.846 13.244 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 2.095 -47.947 22.816 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 2.922 -47.474 23.073 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 1.788 -47.465 22.017 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 3.500 -56.241 11.329 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 3.127 -56.599 10.513 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 3.063 -56.758 12.042 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 1.817 -57.683 7.452 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 2.269 -56.951 7.915 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 2.263 -57.720 6.578 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 3.031 -57.414 5.015 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 3.708 -56.773 5.361 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 3.503 -57.890 4.304 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 9.797 -60.073 10.102 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 9.030 -60.673 10.042 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 9.428 -59.189 9.868 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 -4.962 -52.605 13.412 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 -4.017 -52.828 13.312 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 -5.075 -52.473 14.378 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 12.648 -53.295 22.260 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 12.843 -53.948 21.565 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 13.521 -53.094 22.649 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 14.878 -52.475 19.713 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 14.358 -53.304 19.768 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 15.785 -52.777 19.469 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 11.516 -50.824 19.706 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 12.322 -51.349 19.599 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 10.914 -51.160 18.998 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 7.718 -55.817 11.616 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 8.327 -55.082 11.841 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 8.233 -56.617 11.828 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 -1.575 -57.003 15.635 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 -1.023 -56.980 14.830 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 -0.927 -57.069 16.364 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 1.920 -50.654 22.877 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 2.050 -49.682 22.851 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 2.702 -50.985 23.360 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 7.205 -50.664 24.724 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 6.770 -49.935 25.212 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 8.120 -50.340 24.582 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 9.616 -49.647 23.858 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 10.097 -50.421 23.507 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 9.351 -49.150 23.054 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 1.373 -46.766 20.443 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 0.396 -46.680 20.546 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 1.685 -45.838 20.363 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 7.518 -46.587 24.628 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 7.190 -45.740 25.003 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 8.491 -46.504 24.663 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 8.833 -48.506 21.485 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 8.028 -48.042 21.801 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 8.534 -48.972 20.675 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 -3.037 -52.838 18.391 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 -2.559 -53.466 17.794 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 -3.136 -52.035 17.857 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 4.325 -44.997 27.722 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 3.956 -45.223 28.599 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 3.687 -45.404 27.082 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 -0.442 -51.722 22.154 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 -0.118 -52.529 21.702 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 0.374 -51.330 22.544 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 6.673 -39.705 -15.802 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 7.008 -38.826 -15.517 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.793 -39.700 -16.772 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 2.210 -36.377 -15.536 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 1.715 -37.128 -15.920 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 2.908 -36.804 -14.989 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 -0.488 -39.493 -20.255 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 -1.159 -39.946 -19.696 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 -0.853 -39.535 -21.142 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 4.141 -37.505 -13.910 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 3.606 -37.274 -13.110 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 4.823 -38.094 -13.573 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 12.171 -45.598 -15.533 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 12.345 -45.016 -14.766 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 13.051 -45.743 -15.923 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 9.172 -43.757 -13.579 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 8.738 -42.889 -13.755 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 9.573 -43.650 -12.686 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 2.098 -45.719 -18.445 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 1.476 -45.052 -18.820 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 2.347 -46.258 -19.199 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 -2.200 -40.720 -18.563 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 -2.919 -40.590 -17.914 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 -2.042 -41.685 -18.547 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 1.039 -38.525 -16.767 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 1.515 -38.751 -17.591 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 1.433 -39.129 -16.087 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 -0.963 -47.209 -14.173 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 -0.170 -46.727 -13.841 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 -0.624 -47.747 -14.899 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 6.098 -37.239 -11.529 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 6.754 -36.809 -10.948 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 5.226 -37.069 -11.078 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 2.380 -44.818 -15.876 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 1.819 -44.021 -15.781 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 2.237 -45.107 -16.808 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 0.105 -35.817 -12.427 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 -0.386 -36.662 -12.355 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 1.054 -36.084 -12.347 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 9.644 -46.212 -14.728 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 9.475 -45.333 -14.318 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 10.526 -46.108 -15.157 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 9.693 -39.414 -11.097 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 10.045 -40.211 -11.510 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 8.718 -39.565 -11.076 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 10.572 -43.385 -11.254 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 11.097 -42.722 -11.735 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 11.227 -44.088 -11.023 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 4.556 -38.723 -19.637 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 3.671 -39.127 -19.486 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 4.366 -37.794 -19.787 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 7.291 -31.442 -14.689 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 8.201 -31.477 -15.055 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 7.295 -32.114 -13.984 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 2.186 -40.253 -15.056 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 3.100 -40.597 -15.104 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 1.637 -41.054 -14.929 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 -2.703 -35.455 -16.943 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 -1.929 -34.865 -16.816 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 -2.307 -36.352 -17.034 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 13.771 -37.483 -10.202 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 12.890 -37.320 -9.834 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 13.631 -38.223 -10.834 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 4.130 -34.594 -13.233 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 3.583 -35.225 -12.706 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 4.772 -35.167 -13.691 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 1.370 -45.904 -13.594 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 1.391 -45.054 -13.107 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 1.804 -45.694 -14.454 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 5.403 -48.148 -11.239 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 5.420 -48.024 -10.262 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 4.583 -47.684 -11.522 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 0.398 -43.790 -19.196 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 -0.516 -43.789 -18.848 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 0.797 -42.983 -18.816 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 7.729 -41.468 -13.923 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 7.442 -40.835 -14.612 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 7.017 -41.436 -13.261 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 2.010 -39.550 -19.130 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 1.188 -39.457 -19.664 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 1.893 -40.405 -18.659 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 6.912 -46.665 -14.980 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 6.482 -45.885 -15.368 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 7.871 -46.475 -15.056 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 12.683 -32.346 -8.918 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 12.144 -32.354 -8.098 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 12.350 -33.119 -9.425 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 6.851 -39.696 -18.587 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 6.001 -39.327 -18.939 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 6.938 -40.549 -19.027 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 4.617 -41.515 -15.253 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 5.304 -40.914 -15.615 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 4.909 -42.410 -15.527 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 7.986 -37.208 -15.539 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 8.886 -36.909 -15.276 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 7.982 -37.112 -16.518 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 5.974 -36.642 -8.292 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 5.213 -36.696 -8.935 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 5.582 -36.882 -7.446 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 -1.562 -37.981 -17.284 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 -0.596 -38.024 -17.091 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 -1.701 -38.677 -17.945 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 6.986 -39.781 -11.143 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 6.656 -38.868 -11.284 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 6.306 -40.345 -11.562 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 10.365 -37.116 -9.649 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 9.470 -36.721 -9.785 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 10.274 -38.033 -9.998 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 8.157 -37.278 -18.250 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 7.729 -38.144 -18.417 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 8.729 -37.146 -19.010 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 5.096 -32.461 -11.882 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 4.817 -33.159 -12.517 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 4.287 -32.294 -11.347 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 6.925 -35.599 -13.551 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 6.628 -36.288 -12.920 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 7.239 -36.108 -14.329 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 7.651 -33.225 -12.484 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 7.499 -34.116 -12.889 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 6.762 -32.953 -12.170 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 5.083 -44.303 -15.487 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 4.943 -44.425 -14.525 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 4.236 -44.586 -15.884 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 5.090 -41.161 -12.596 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 4.272 -41.367 -12.127 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 4.854 -41.262 -13.544 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 11.307 -35.890 -7.314 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 11.195 -34.969 -7.594 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 10.890 -36.412 -8.030 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 4.318 -44.621 -12.883 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 3.527 -44.064 -12.713 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 4.071 -45.497 -12.522 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 1.877 -43.432 -12.494 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 1.529 -42.965 -13.287 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 1.181 -43.307 -11.816 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 6.858 -44.029 -12.104 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 5.991 -44.160 -12.539 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 7.503 -44.081 -12.831 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 3.064 -46.731 -11.588 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 2.346 -46.647 -12.253 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 2.633 -46.522 -10.743 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -3.869 -33.122 -15.604 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -3.578 -33.959 -16.017 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 -3.364 -32.432 -16.086 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 12.720 -32.251 -12.453 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 11.746 -32.165 -12.534 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 12.861 -33.206 -12.259 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 11.616 -37.289 -12.628 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 10.735 -37.453 -12.255 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 12.104 -38.123 -12.457 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 10.475 -36.180 -14.961 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 10.897 -35.346 -15.215 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 11.014 -36.507 -14.215 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 11.781 -41.670 -13.096 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 11.147 -41.640 -13.824 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 12.318 -42.479 -13.279 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 13.002 -44.055 -13.411 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 12.761 -44.556 -12.592 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 13.960 -44.202 -13.501 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 -1.906 -43.389 -17.762 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 -2.500 -44.019 -17.334 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 -1.555 -42.844 -17.015 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 1.065 -41.620 -17.648 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 0.217 -41.152 -17.586 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 1.188 -41.997 -16.751 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 -4.805 -46.617 -13.193 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 -5.166 -46.234 -12.364 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 -4.258 -47.373 -12.889 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 2.039 -33.955 -16.644 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 2.040 -34.838 -16.187 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 2.842 -33.967 -17.173 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 7.950 -35.864 -9.923 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 7.299 -36.095 -9.212 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 7.736 -34.953 -10.154 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 6.524 -30.465 -10.756 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 5.991 -31.222 -11.095 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 5.856 -29.815 -10.467 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 4.836 -30.188 -14.930 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 4.219 -30.937 -14.743 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 5.726 -30.563 -14.742 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 8.433 -28.063 -13.436 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 7.617 -27.953 -13.973 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 9.152 -27.758 -14.035 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 9.916 -31.494 -15.473 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 10.175 -30.667 -15.944 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 10.496 -32.186 -15.867 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 -2.210 -31.515 -17.176 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 -2.470 -31.737 -18.100 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 -1.519 -32.179 -16.959 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 -0.661 -33.622 -16.364 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 0.295 -33.710 -16.578 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 -0.680 -33.563 -15.380 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 3.201 -32.356 -14.584 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 3.450 -33.113 -14.015 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 2.602 -32.746 -15.244 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 11.525 -34.580 -9.983 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 12.104 -34.685 -10.767 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 11.074 -35.442 -9.906 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 -5.717 -33.090 -2.682 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 -5.487 -32.766 -3.587 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 -5.508 -34.037 -2.710 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 -1.597 -36.010 1.261 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 -0.724 -36.051 1.704 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 -1.999 -35.184 1.600 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 15.646 -47.311 8.046 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 16.340 -47.120 8.720 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 15.161 -46.484 7.967 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 12.927 -42.908 21.422 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 13.368 -42.022 21.460 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 12.302 -42.891 22.158 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 8.584 -40.028 22.955 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 7.659 -39.703 23.044 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 8.663 -40.269 22.011 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 2.880 -31.452 25.120 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 3.158 -31.444 24.181 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 3.520 -30.854 25.563 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 11.432 -39.726 23.383 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 11.301 -38.762 23.515 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 10.534 -40.065 23.218 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 10.853 -32.614 30.342 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 10.654 -31.864 29.737 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 11.000 -32.196 31.197 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 10.281 -47.118 24.904 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 10.239 -46.966 25.876 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 10.078 -48.068 24.799 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 2.525 -33.810 26.492 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 3.040 -34.490 26.008 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 2.652 -32.990 25.962 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 7.679 -29.281 27.739 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 7.403 -30.215 27.831 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 8.641 -29.310 27.850 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 -1.305 -34.595 29.236 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 -0.464 -34.789 28.765 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 -1.686 -35.469 29.404 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 6.097 -38.816 23.377 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 5.128 -38.971 23.480 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 6.291 -38.116 24.021 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 9.806 -43.584 27.007 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 8.914 -43.370 26.714 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 10.289 -42.735 26.950 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 8.808 -36.045 26.143 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 9.606 -35.769 26.633 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 9.059 -35.929 25.200 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 4.426 -42.681 24.651 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 4.764 -43.115 23.837 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 3.810 -41.978 24.308 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 9.970 -46.324 27.581 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 9.667 -46.334 28.513 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 10.050 -45.370 27.369 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 6.148 -48.476 26.036 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 6.568 -47.829 25.418 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 6.443 -48.192 26.909 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 2.587 -46.058 25.925 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 2.858 -46.987 25.765 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 1.956 -45.866 25.206 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 9.185 -37.507 28.640 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 9.463 -36.606 28.907 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 9.166 -37.470 27.671 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 13.144 -39.969 25.535 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 12.637 -39.943 24.697 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 12.541 -40.416 26.161 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 13.461 -36.432 23.756 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 13.723 -36.333 22.809 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 12.509 -36.661 23.716 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 12.223 -46.508 22.938 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 11.639 -46.614 23.719 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 11.806 -47.049 22.256 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 -1.265 -46.754 21.145 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 -1.247 -47.496 21.782 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 -2.047 -46.939 20.587 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 4.504 -29.708 26.608 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 3.987 -29.830 27.438 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 5.397 -29.485 26.914 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 11.360 -48.183 20.463 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 10.468 -48.181 20.874 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 11.483 -49.114 20.168 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 4.355 -46.530 23.300 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 4.622 -45.600 23.330 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 5.159 -46.998 23.009 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 3.393 -48.740 25.620 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 3.475 -49.521 25.038 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 4.320 -48.502 25.822 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 6.226 -45.330 29.907 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 6.014 -45.212 28.970 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 5.354 -45.313 30.351 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 10.757 -33.527 25.041 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 11.231 -34.143 25.642 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 10.435 -34.110 24.311 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 9.455 -40.162 29.159 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 8.783 -40.333 29.821 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 9.425 -39.186 29.030 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 9.705 -34.795 29.036 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 8.753 -34.581 28.952 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 10.059 -34.088 29.610 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 9.369 -39.000 25.440 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 8.960 -39.455 24.679 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 9.869 -38.263 25.034 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 6.242 -44.437 25.798 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 5.760 -43.711 25.359 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 5.626 -44.745 26.491 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 3.721 -42.248 27.188 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 3.964 -42.306 26.236 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 4.130 -43.040 27.582 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 -1.142 -45.564 27.620 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 -1.114 -45.811 26.668 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 -1.434 -44.628 27.616 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 3.493 -45.213 30.400 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 2.768 -45.829 30.612 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 3.037 -44.372 30.199 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 1.945 -43.268 29.128 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 2.454 -42.718 28.496 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 1.068 -42.866 29.139 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 8.907 -45.879 30.131 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 7.933 -45.754 30.083 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 9.177 -45.343 30.878 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 -1.133 -41.097 25.691 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 -1.189 -42.025 25.963 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 -1.545 -40.607 26.433 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 6.336 -37.158 25.722 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 6.067 -37.932 26.242 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 7.254 -36.968 26.029 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 10.022 -30.750 28.543 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 10.388 -30.813 27.640 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 9.165 -31.228 28.485 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 6.931 -34.946 24.093 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 7.828 -35.130 23.721 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 6.743 -35.719 24.658 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 2.914 -30.154 28.798 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 3.192 -31.036 29.101 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 1.933 -30.183 28.859 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 -1.004 -37.599 28.129 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 -0.669 -36.730 27.843 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 -0.218 -38.184 28.076 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 0.851 -45.813 29.548 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 1.257 -44.984 29.242 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 0.083 -45.932 28.960 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 0.722 -35.523 27.593 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 1.259 -34.823 27.159 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 1.281 -36.314 27.541 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 -1.189 -46.489 25.031 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 -0.790 -47.385 25.057 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 -0.567 -45.972 24.475 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 4.546 -34.308 29.980 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 3.814 -33.726 29.673 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 4.167 -34.786 30.723 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 6.948 -34.499 28.725 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 6.798 -35.282 28.178 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 6.107 -34.396 29.234 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 3.787 -36.126 25.028 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 4.666 -36.387 25.356 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 3.455 -36.932 24.580 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 8.102 -32.807 25.359 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 8.996 -33.175 25.220 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 7.508 -33.453 24.919 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 1.281 -39.025 27.623 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 2.245 -38.996 27.423 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 0.969 -39.810 27.158 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 3.846 -39.359 26.707 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 3.950 -40.319 26.826 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 3.771 -39.242 25.730 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 10.743 -40.913 26.870 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 10.243 -40.267 26.324 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 10.422 -40.748 27.785 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 2.381 -32.867 29.162 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 1.557 -32.357 29.314 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 2.326 -33.140 28.224 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 -1.878 -32.105 28.217 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 -1.752 -33.007 28.586 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 -1.878 -32.236 27.262 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 -4.145 -32.363 33.425 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 -3.512 -32.707 32.761 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -4.157 -33.035 34.109 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 0.547 -48.585 24.953 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 1.221 -48.760 25.630 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 1.072 -48.317 24.162 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 0.315 -30.938 29.395 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 -0.052 -30.459 30.166 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 -0.478 -31.223 28.895 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 8.266 -24.004 -12.262 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 8.965 -24.231 -12.904 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 8.048 -23.085 -12.470 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 -0.060 -23.299 -15.048 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 -0.255 -24.045 -15.653 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 0.035 -22.528 -15.646 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 11.793 -19.265 -18.358 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 12.082 -19.186 -19.270 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 12.539 -18.891 -17.837 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 4.497 -19.784 -19.972 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 5.413 -20.058 -19.768 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 3.958 -20.558 -19.718 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 6.577 -15.695 -18.732 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 6.402 -16.385 -19.381 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 7.545 -15.709 -18.627 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 3.672 -21.965 -18.472 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 4.572 -22.331 -18.414 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 3.357 -21.969 -17.544 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 6.450 -18.667 -17.282 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 5.523 -18.418 -17.479 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 6.646 -19.390 -17.924 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 7.990 -22.296 -20.896 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 7.757 -22.103 -21.812 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 8.164 -23.244 -20.889 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 1.421 -26.789 -13.645 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 0.766 -26.774 -14.381 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 0.987 -26.285 -12.930 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 6.394 -19.571 -14.703 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 5.429 -19.550 -14.508 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 6.441 -19.417 -15.669 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 -0.682 -24.647 -17.392 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 0.156 -24.398 -17.852 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 -1.303 -23.924 -17.621 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 10.248 -29.057 -16.648 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 9.348 -28.896 -16.988 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 10.462 -28.247 -16.149 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 4.784 -29.098 -17.447 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 3.865 -29.035 -17.722 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 4.741 -29.512 -16.556 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 9.399 -16.522 -18.382 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 9.849 -17.364 -18.545 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 9.141 -16.571 -17.441 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 11.390 -14.574 -19.155 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 10.649 -15.211 -19.119 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 11.653 -14.463 -18.214 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 11.648 -20.495 -13.468 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 12.112 -20.790 -12.665 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 12.352 -20.422 -14.136 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 6.005 -22.679 -17.070 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 6.558 -23.351 -16.607 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 5.233 -22.561 -16.477 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 3.789 -18.077 -17.979 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 3.006 -18.492 -17.553 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 3.924 -18.607 -18.799 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 1.728 -23.903 -18.369 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 2.349 -24.525 -17.946 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 2.279 -23.127 -18.586 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 -0.937 -19.577 -11.968 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 -0.391 -20.240 -11.497 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 -1.853 -19.803 -11.711 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 -2.384 -22.517 -17.748 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 -3.091 -22.551 -18.400 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 -2.846 -22.291 -16.901 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 -0.271 -21.062 -16.643 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 -0.799 -20.622 -15.939 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 -0.941 -21.498 -17.210 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 1.137 -12.395 -18.885 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 1.921 -12.967 -19.036 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 0.539 -12.949 -18.340 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 1.677 -19.115 -16.499 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 1.167 -19.943 -16.659 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 1.019 -18.499 -16.151 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 3.746 -27.550 -14.951 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 2.933 -27.365 -14.424 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 3.929 -28.497 -14.786 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 6.488 -27.193 -15.138 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.770 -27.804 -15.852 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 5.515 -27.312 -15.090 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 3.511 -22.806 -15.850 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 3.142 -22.775 -14.945 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 3.438 -23.750 -16.104 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 0.250 -25.233 -11.586 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 -0.542 -25.812 -11.451 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 0.525 -24.987 -10.677 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 10.452 -26.894 -14.854 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 10.331 -25.925 -14.812 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 11.263 -27.054 -14.323 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 7.464 -29.034 -16.969 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 7.491 -29.914 -16.566 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 6.605 -29.016 -17.447 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 2.150 -20.381 -12.630 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 2.270 -21.251 -13.064 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 1.663 -20.596 -11.812 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 6.823 -20.806 -18.919 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 6.656 -21.506 -18.247 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 7.385 -21.251 -19.593 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 7.310 -24.634 -15.663 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 8.180 -24.599 -15.248 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 6.981 -25.537 -15.458 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 12.408 -16.703 -15.538 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 12.966 -17.245 -16.128 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 12.399 -15.822 -15.958 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 -0.094 -17.390 -20.125 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 0.040 -18.277 -20.480 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 0.556 -16.848 -20.588 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 -1.206 -22.897 -12.549 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 -1.085 -23.817 -12.249 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 -0.939 -22.920 -13.493 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 8.432 -17.386 -15.888 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 8.944 -18.100 -15.471 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 7.751 -17.857 -16.425 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 8.524 -18.781 -13.268 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 8.392 -18.847 -12.298 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 7.723 -19.203 -13.650 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 0.584 -14.958 -14.865 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 0.377 -14.877 -13.905 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 1.510 -14.636 -14.937 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 8.308 -26.522 -11.227 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 8.233 -26.948 -12.100 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 8.251 -25.563 -11.426 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 10.313 -24.220 -14.089 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 10.047 -23.277 -14.201 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 11.145 -24.173 -13.578 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 12.099 -14.131 -16.541 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 11.457 -13.792 -15.904 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 12.692 -13.365 -16.714 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 -1.913 -29.066 -16.008 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 -2.021 -29.909 -16.509 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 -1.534 -29.341 -15.163 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 0.051 -15.048 -12.200 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 0.129 -14.557 -11.353 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 0.484 -15.910 -12.018 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 0.515 -21.643 -10.754 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 -0.081 -22.158 -11.339 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 0.731 -22.259 -10.036 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 1.084 -24.308 -9.026 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 1.915 -24.408 -8.533 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 0.438 -24.003 -8.347 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 2.093 -23.060 -13.453 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 1.979 -23.744 -12.778 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 1.291 -23.150 -14.018 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 3.577 -25.435 -16.815 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 3.477 -26.137 -16.135 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 4.389 -25.673 -17.279 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 3.696 -19.126 -14.536 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 3.155 -19.543 -13.833 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 3.108 -19.120 -15.315 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 -0.400 -13.977 -17.247 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 -0.037 -14.288 -16.391 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 -0.867 -14.758 -17.603 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 11.793 -21.777 -10.935 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 10.874 -21.833 -11.229 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 12.121 -22.685 -11.007 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 9.260 -21.705 -13.895 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 8.572 -21.134 -14.259 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 10.029 -21.101 -13.759 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 13.365 -30.321 -10.603 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 13.281 -30.880 -11.404 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 13.242 -30.953 -9.864 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 -0.363 -26.750 -15.710 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 -0.933 -27.500 -15.960 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 -0.523 -26.080 -16.410 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 12.673 -27.020 -13.288 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 12.845 -27.321 -12.360 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 13.426 -27.358 -13.787 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 13.598 -11.919 -16.932 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 13.027 -11.312 -16.416 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 14.054 -11.331 -17.581 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 -4.915 -29.660 -14.465 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 -4.589 -28.958 -15.061 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 -5.850 -29.775 -14.723 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 -0.107 -14.161 -9.531 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 -0.376 -13.592 -8.774 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 -0.456 -15.031 -9.305 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 10.012 -31.874 -12.793 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 10.013 -31.754 -13.774 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 9.270 -32.504 -12.629 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 5.705 -12.130 -15.338 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 6.175 -11.618 -16.028 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 4.765 -12.059 -15.598 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 3.141 -14.059 -15.180 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 3.104 -13.183 -15.627 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 3.510 -14.662 -15.868 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 -1.525 -16.448 -18.006 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 -0.942 -16.805 -18.719 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 -2.411 -16.491 -18.384 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 4.350 -15.549 -17.144 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 4.046 -16.460 -17.367 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 5.221 -15.472 -17.598 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 18.131 -15.401 -21.618 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 18.266 -15.881 -22.442 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 18.998 -14.988 -21.435 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 11.311 -20.837 -3.309 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 11.180 -21.226 -4.199 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 12.152 -21.230 -2.997 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 -1.193 -26.406 4.480 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 -1.713 -26.258 3.670 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 -0.834 -25.527 4.692 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 10.120 -19.981 -0.940 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 10.432 -20.423 -1.763 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 10.855 -19.372 -0.704 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 1.570 -18.481 -1.567 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 1.582 -17.940 -0.752 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 0.672 -18.850 -1.591 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 -0.994 -27.561 -4.379 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 -1.574 -26.863 -4.766 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 -1.404 -28.387 -4.661 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 1.119 -22.572 -0.393 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 1.764 -22.322 -1.061 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 0.279 -22.185 -0.712 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 6.491 -15.143 -0.009 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 6.297 -15.766 0.726 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 7.270 -15.540 -0.450 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 -1.137 -26.364 -1.911 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 -1.463 -25.455 -2.065 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 -1.015 -26.733 -2.813 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 0.710 -26.596 0.060 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 0.597 -25.859 0.692 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 -0.055 -26.511 -0.550 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 0.765 -17.082 0.637 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 0.294 -17.909 0.884 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 1.057 -16.714 1.494 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 9.393 -17.848 -2.732 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 9.113 -17.201 -2.055 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 9.539 -18.665 -2.227 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 9.962 -18.423 -8.430 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 10.765 -18.979 -8.574 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 9.858 -18.404 -7.462 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 9.666 -21.688 1.234 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 9.968 -20.947 1.806 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 9.675 -21.307 0.332 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 0.271 -24.286 1.549 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 0.486 -23.813 2.364 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 0.641 -23.714 0.834 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 7.953 -18.897 1.150 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 8.602 -19.312 0.557 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 7.567 -19.651 1.647 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 0.097 -23.886 4.571 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 0.915 -24.349 4.338 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 0.230 -23.624 5.517 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 0.837 -16.547 3.309 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 1.091 -17.453 3.597 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 -0.136 -16.528 3.398 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 9.625 -14.491 -7.586 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 9.628 -14.937 -6.705 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 8.684 -14.323 -7.764 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -1.599 -19.672 4.093 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -2.349 -19.107 3.812 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -1.949 -20.581 4.039 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 -5.425 -18.668 1.968 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 -4.701 -18.343 2.544 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 -5.977 -17.894 1.821 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 13.110 -18.080 4.031 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 13.061 -18.958 4.488 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 12.505 -17.502 4.553 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 4.614 -17.526 4.247 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 4.460 -16.625 4.592 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 4.951 -18.023 5.028 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 -1.074 -16.597 -2.818 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 -0.867 -15.915 -2.142 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 -1.258 -17.400 -2.295 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 -0.568 -19.318 1.388 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 -1.209 -20.058 1.303 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 -0.254 -19.385 2.306 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 2.107 -18.828 3.919 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 3.017 -18.499 3.789 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 2.043 -18.974 4.885 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 -2.214 -22.452 3.864 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 -1.406 -22.875 4.230 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 -2.884 -22.546 4.587 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 5.373 -18.636 6.620 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 4.911 -19.463 6.873 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 6.332 -18.849 6.737 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 18.369 -23.256 -3.677 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 19.223 -23.691 -3.588 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 18.038 -23.554 -4.544 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 10.794 -19.521 2.417 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 10.978 -18.580 2.218 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 11.587 -19.826 2.883 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 9.877 -15.688 -5.214 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 9.927 -16.649 -5.044 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 10.419 -15.289 -4.503 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 -0.564 -23.245 -7.079 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 -1.195 -23.541 -6.413 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 -0.568 -22.264 -6.996 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 2.446 -14.428 3.553 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 3.036 -14.530 2.778 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 1.847 -15.214 3.501 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 3.304 -15.697 -2.720 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 3.563 -15.983 -1.839 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 3.595 -14.761 -2.761 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 8.915 -16.547 6.574 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 8.157 -15.965 6.770 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 8.566 -17.447 6.717 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 -0.378 -28.863 5.303 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 -0.200 -28.655 6.228 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 -0.707 -28.011 4.924 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 11.066 -21.634 -6.000 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 10.337 -21.889 -6.598 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 11.838 -22.119 -6.351 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 -1.730 -15.576 3.064 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 -1.401 -14.946 3.738 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 -1.535 -15.136 2.218 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 12.759 -10.111 -1.618 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 12.481 -9.259 -2.002 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 13.353 -9.857 -0.878 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 -6.443 -31.029 -0.986 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 -6.118 -31.775 -1.542 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 -6.381 -31.371 -0.071 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 0.449 -15.751 6.553 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 1.025 -15.919 7.326 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 0.116 -16.634 6.311 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 7.974 -19.134 6.971 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 8.566 -19.403 6.232 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 8.435 -19.458 7.775 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 -1.894 -19.667 8.212 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 -1.307 -19.218 7.575 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 -1.619 -19.304 9.093 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 0.658 -23.311 7.160 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 -0.051 -23.023 7.774 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 1.462 -22.927 7.540 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 8.077 -18.517 -10.531 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 8.709 -18.673 -9.798 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 7.399 -17.934 -10.138 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 1.167 -17.456 -9.156 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 0.304 -17.846 -8.890 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 1.179 -17.549 -10.130 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 -1.190 -18.994 -1.340 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 -1.424 -19.949 -1.386 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 -1.134 -18.812 -0.381 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 11.492 -12.527 -1.294 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 10.596 -12.381 -0.921 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 11.869 -11.618 -1.377 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 11.277 -16.792 1.950 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 11.519 -16.639 2.879 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 10.879 -15.944 1.664 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 9.783 -19.628 5.012 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 9.742 -19.292 4.100 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 10.190 -20.520 4.917 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 13.760 -21.867 -2.301 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 13.863 -21.683 -1.341 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 14.549 -22.366 -2.528 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 14.221 -21.481 0.394 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 13.500 -22.033 0.780 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 14.079 -20.595 0.789 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 13.156 -23.349 -6.902 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 13.986 -22.873 -6.693 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 13.198 -24.146 -6.361 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 12.169 -22.878 1.470 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 11.283 -22.470 1.368 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 11.985 -23.762 1.800 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -2.376 -21.381 1.305 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 -3.353 -21.335 1.234 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -2.223 -21.815 2.171 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -2.444 -30.649 5.655 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -3.139 -30.049 6.012 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -1.710 -30.047 5.413 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 -2.285 -24.918 2.357 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 -2.368 -24.057 2.803 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 -1.427 -24.857 1.882 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 13.399 -27.623 -10.805 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 13.460 -28.599 -10.671 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 13.945 -27.249 -10.083 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 6.681 -11.941 -5.871 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 5.913 -11.979 -6.463 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 6.971 -12.876 -5.804 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 -6.199 -31.957 1.741 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 -5.328 -32.209 2.091 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 -6.377 -31.090 2.157 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 -0.558 -18.320 6.173 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 0.367 -18.629 6.332 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 -0.867 -18.870 5.410 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 -0.110 -13.849 4.550 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 -0.044 -14.317 5.409 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 0.815 -13.780 4.249 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 4.075 -15.157 5.610 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 3.447 -15.344 6.322 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 3.532 -14.713 4.920 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 6.527 -15.016 6.948 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 6.734 -14.076 6.934 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 5.745 -15.098 6.359 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 2.185 -12.869 0.856 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 2.810 -13.610 0.994 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 2.631 -12.107 1.246 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 8.777 -16.602 -0.310 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 9.342 -15.977 0.184 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 8.570 -17.306 0.339 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 10.291 -14.472 0.706 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 9.648 -13.742 0.582 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 11.068 -14.186 0.204 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 -3.449 -17.654 3.631 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 -2.891 -16.926 3.274 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 -3.581 -17.410 4.567 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 -0.406 -14.994 -0.707 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 0.066 -15.739 -0.275 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 -0.618 -14.386 0.034 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 -0.397 -13.546 1.626 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 0.498 -13.240 1.367 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 -0.474 -13.288 2.559 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 -1.607 -15.510 -5.296 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 -2.200 -16.030 -5.855 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 -1.601 -15.987 -4.436 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 -3.836 -13.491 -8.157 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 -3.490 -12.938 -8.872 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 -4.651 -13.051 -7.889 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 11.345 -16.340 5.218 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 11.621 -15.530 5.659 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 10.467 -16.542 5.619 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 5.334 -18.314 18.312 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 5.497 -19.239 18.598 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 4.353 -18.225 18.335 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 7.109 -23.897 18.234 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 6.360 -23.780 18.869 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 6.840 -23.366 17.456 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 8.828 -21.706 18.228 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 8.482 -22.613 18.322 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 8.724 -21.322 19.114 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 14.098 -23.627 25.821 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 13.407 -23.519 25.128 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 13.966 -22.873 26.404 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 4.556 -16.020 13.538 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 4.988 -16.569 14.227 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 4.096 -15.341 14.036 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 4.976 -24.493 16.048 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 5.284 -23.577 15.927 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 4.248 -24.416 16.709 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 11.872 -21.916 21.604 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 11.848 -20.952 21.568 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 12.570 -22.163 20.951 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 13.222 -23.253 9.629 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 13.225 -23.970 8.963 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 13.509 -22.465 9.130 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 10.370 -25.310 24.543 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 9.908 -26.051 24.133 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 10.865 -25.720 25.292 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 5.512 -17.008 20.780 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 6.261 -16.403 20.732 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 5.502 -17.449 19.904 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 11.749 -26.919 13.731 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 11.835 -25.970 13.578 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 11.324 -26.984 14.608 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 5.716 -17.197 15.763 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 6.625 -16.908 15.870 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 5.494 -17.613 16.618 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 1.910 -17.968 22.594 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 2.373 -18.653 22.065 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 2.300 -18.056 23.491 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 5.275 -18.421 23.207 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 6.172 -18.796 23.269 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 5.263 -17.973 22.339 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 -1.525 -14.501 17.925 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 -0.665 -14.559 18.401 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 -2.100 -13.974 18.529 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 -4.049 -16.787 19.656 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 -3.146 -17.097 19.898 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 -4.135 -17.034 18.711 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 10.638 -26.821 29.100 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 9.659 -26.922 29.162 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 10.972 -27.283 29.875 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 11.141 -21.543 10.348 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 11.675 -22.302 10.044 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 11.583 -21.256 11.173 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 6.581 -22.267 27.226 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 5.920 -21.932 26.598 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 7.310 -22.582 26.662 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 0.518 -19.042 25.899 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 1.299 -18.501 25.668 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 -0.232 -18.566 25.496 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 1.615 -18.380 12.474 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 0.918 -17.839 12.908 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 2.164 -17.723 11.998 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 11.694 -27.031 8.587 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 11.395 -26.652 9.417 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 12.398 -26.425 8.288 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 2.293 -20.920 11.838 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 2.059 -19.973 12.013 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 3.012 -21.100 12.453 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 7.844 -19.576 23.518 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 8.663 -19.032 23.574 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 7.489 -19.566 24.443 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 10.035 -23.541 20.354 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 9.261 -23.708 20.901 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 10.604 -22.971 20.910 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 2.691 -18.013 18.802 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 1.797 -18.219 18.454 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 2.550 -17.231 19.379 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 -0.635 -21.964 9.171 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 -1.241 -21.290 8.800 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 -0.721 -21.853 10.146 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 3.340 -19.674 20.928 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 3.087 -19.206 20.107 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 4.158 -20.144 20.690 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 -0.422 -16.871 13.637 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 -0.786 -16.722 14.535 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 -1.210 -17.041 13.086 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 4.939 -22.963 22.392 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 4.939 -23.265 21.457 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 5.873 -22.999 22.656 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 9.498 -19.764 9.180 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 10.015 -20.511 9.573 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 8.987 -19.418 9.919 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 -3.938 -14.630 21.361 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 -4.007 -15.414 20.776 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 -3.459 -14.949 22.129 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 4.888 -16.681 8.522 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 5.547 -16.005 8.271 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 5.094 -17.441 7.934 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 -0.429 -21.403 11.837 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 0.542 -21.321 11.946 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 -0.798 -20.991 12.645 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 -1.245 -18.941 10.685 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 -1.684 -18.373 11.352 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 -0.887 -19.682 11.204 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 11.728 -26.443 26.632 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 11.293 -26.580 27.508 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 12.627 -26.172 26.855 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 6.158 -21.947 16.566 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 6.987 -21.487 16.369 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 5.773 -21.440 17.299 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 -2.877 -16.798 6.298 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 -2.016 -17.265 6.327 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 -2.673 -15.904 6.608 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 3.361 -16.680 11.128 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 4.065 -16.647 10.461 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 3.813 -16.431 11.967 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 2.019 -18.884 6.653 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 2.668 -19.585 6.892 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 2.153 -18.192 7.337 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 5.571 -20.856 19.379 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 6.438 -20.894 19.841 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 5.204 -21.769 19.486 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 3.833 -20.814 7.299 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 3.314 -21.216 8.036 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 4.528 -21.479 7.105 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 7.849 -21.021 20.908 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 7.885 -20.207 21.436 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 7.793 -21.733 21.579 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 2.116 -21.810 9.185 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 1.135 -21.786 9.156 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 2.332 -21.519 10.097 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 6.838 -19.630 26.008 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 5.899 -19.893 25.927 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 7.113 -19.999 26.859 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 11.476 -19.457 7.266 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 10.830 -19.460 8.003 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 10.929 -19.295 6.472 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 8.705 -23.412 25.699 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 8.761 -23.744 26.628 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 9.324 -23.989 25.207 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 7.671 -22.388 23.271 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 7.697 -21.430 23.475 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 7.964 -22.816 24.103 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 0.705 -29.830 25.752 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 1.317 -29.066 25.720 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 1.264 -30.588 25.505 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 3.145 -21.234 23.363 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 3.702 -21.984 23.040 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 3.132 -20.612 22.613 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 8.990 -24.612 28.125 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 9.821 -24.797 28.579 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 8.381 -25.302 28.457 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 7.922 -26.978 29.204 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 7.704 -27.748 28.637 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 7.063 -26.755 29.637 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 2.698 -27.950 25.528 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 3.436 -28.539 25.789 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 2.928 -27.087 25.937 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 2.812 -27.436 29.177 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 2.903 -28.409 29.114 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 1.834 -27.288 29.181 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 -2.788 -17.277 12.190 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 -3.364 -17.344 11.404 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 -3.360 -16.840 12.862 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 -2.345 -13.218 15.700 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 -2.121 -13.703 16.529 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 -1.767 -13.613 15.035 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 -1.732 -16.513 16.049 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -2.502 -17.004 16.382 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 -1.567 -15.835 16.737 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 12.695 -20.745 12.463 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 13.500 -20.626 11.904 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 12.771 -20.059 13.133 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 11.367 -23.227 18.004 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 10.851 -23.421 18.823 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 10.838 -22.550 17.550 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 13.325 -23.453 12.437 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 13.355 -23.545 11.462 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 12.977 -22.551 12.580 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 14.923 -24.762 16.179 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 14.011 -24.962 16.478 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 15.484 -25.305 16.761 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 12.607 -25.602 17.402 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 12.158 -24.740 17.564 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 11.918 -26.260 17.561 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 12.299 -23.494 23.807 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 11.518 -24.065 23.988 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 12.013 -22.925 23.059 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 14.794 -34.686 27.159 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 14.652 -35.639 26.988 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 14.115 -34.461 27.832 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 12.121 -28.990 25.578 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 11.918 -28.100 25.923 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 11.327 -29.521 25.792 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 -2.213 -18.433 25.158 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 -3.185 -18.465 25.024 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 -1.857 -18.161 24.279 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 -0.866 -17.733 22.872 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 -1.181 -17.708 21.947 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 0.110 -17.770 22.789 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 9.993 -17.920 23.921 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 10.086 -16.993 23.680 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 10.479 -18.001 24.750 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 -1.526 -17.870 20.131 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 -0.873 -17.789 19.419 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 -1.675 -18.842 20.208 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 1.016 -14.643 19.029 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 1.713 -14.287 18.472 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 1.492 -15.027 19.791 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 2.780 -16.090 20.717 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 2.342 -16.494 21.496 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 3.731 -16.254 20.869 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 -2.709 -10.768 17.008 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 -2.068 -10.843 17.724 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 -2.543 -11.556 16.453 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 -3.771 -31.186 30.042 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 -3.131 -31.290 29.312 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 -3.454 -31.808 30.723 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 2.176 -16.765 8.482 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 1.914 -16.811 9.420 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 3.153 -16.650 8.516 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 7.684 -32.013 27.891 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 7.757 -32.263 26.939 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 7.366 -32.833 28.325 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 -4.854 -20.549 33.306 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 -5.034 -20.457 34.257 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 -4.012 -20.071 33.175 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 -2.426 -19.151 29.937 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 -2.546 -18.403 29.311 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -1.849 -19.771 29.451 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 5.055 -24.073 28.633 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 4.259 -23.571 28.378 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 5.797 -23.486 28.372 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 5.345 -26.509 29.860 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 4.442 -26.881 29.795 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 5.240 -25.577 29.574 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 3.572 -25.852 27.065 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 3.230 -26.371 27.827 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 4.341 -25.377 27.430 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -3.369 -29.739 33.040 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -3.784 -30.588 33.301 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -4.013 -29.335 32.426 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 -0.873 -27.599 26.240 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 -0.517 -28.489 26.034 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 -1.810 -27.764 26.482 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 -5.024 -19.949 29.308 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 -4.143 -19.633 29.596 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 -5.548 -19.130 29.182 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 3.201 -18.443 24.986 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 3.486 -19.197 25.528 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 3.983 -18.254 24.416 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 -0.621 -22.911 26.734 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 0.092 -22.522 26.188 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 -0.716 -23.820 26.383 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 -0.314 -25.167 25.104 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 -0.554 -26.003 25.563 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 0.258 -25.458 24.370 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 -1.176 -20.367 27.668 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 -0.451 -19.900 27.201 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 -0.979 -21.323 27.525 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 -3.434 -27.987 27.163 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 -3.949 -28.823 27.164 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 -3.991 -27.367 26.638 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 1.290 -21.606 25.368 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 1.049 -20.670 25.534 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 1.850 -21.569 24.559 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 4.439 -20.970 25.785 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 4.088 -21.088 24.873 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 3.950 -21.638 26.316 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 3.046 -23.065 26.949 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 2.244 -22.696 26.528 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 2.973 -24.028 26.797 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 -2.862 -17.578 27.740 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 -2.374 -17.976 26.993 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 -3.428 -16.906 27.319 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 10.189 -30.949 25.797 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 9.253 -31.066 25.547 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 10.602 -31.813 25.572 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 -4.771 -28.800 30.840 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 -5.515 -28.563 30.253 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 -4.484 -29.688 30.516 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 -1.167 -29.664 31.447 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 -1.891 -29.674 32.120 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 -1.439 -28.961 30.820 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 0.151 -27.269 28.800 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 -0.101 -27.280 27.855 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 -0.700 -27.366 29.273 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 4.066 -4.613 -15.493 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 4.737 -5.237 -15.852 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 3.769 -4.116 -16.264 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 11.825 -10.512 -15.359 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 12.322 -9.948 -14.744 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 11.398 -9.880 -15.968 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 7.625 -8.557 -16.392 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 7.087 -9.259 -16.833 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 8.526 -8.714 -16.711 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 3.233 -11.585 -16.302 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 2.508 -10.946 -16.108 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 3.451 -11.414 -17.244 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 14.344 -9.460 -11.792 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 13.517 -8.959 -11.902 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 14.957 -8.827 -11.369 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 10.712 -8.569 -17.020 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 11.455 -8.194 -16.487 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 10.770 -8.102 -17.864 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 2.281 -8.212 -19.009 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 2.293 -7.444 -19.586 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 1.536 -8.761 -19.352 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 3.385 -13.895 -19.218 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 4.131 -13.998 -19.817 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 3.611 -14.461 -18.456 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 13.416 -5.378 -13.774 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 14.029 -5.437 -14.541 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 13.996 -5.523 -12.996 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 9.916 -6.273 -11.678 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 10.417 -5.444 -11.854 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 9.684 -6.215 -10.722 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 5.790 -5.953 -10.897 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 6.193 -5.575 -10.089 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 6.384 -5.660 -11.619 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 2.672 -6.799 -14.326 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 3.018 -5.977 -14.723 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 1.849 -6.517 -13.875 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 9.300 -10.968 -17.757 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 9.901 -10.225 -17.591 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 9.705 -11.438 -18.523 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 0.771 -5.539 -12.791 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 1.468 -5.087 -12.273 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 0.033 -4.894 -12.816 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 5.230 -3.789 -13.120 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 6.067 -4.294 -13.154 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 4.806 -3.970 -13.986 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 7.360 -12.049 -13.266 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 6.686 -12.114 -13.985 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 8.213 -11.998 -13.753 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 5.854 -6.531 -16.169 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 6.569 -7.123 -16.490 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 5.239 -7.141 -15.710 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 4.588 -8.629 -14.942 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 3.802 -8.099 -14.665 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 4.225 -9.287 -15.552 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 0.661 -4.744 -9.143 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 0.622 -5.664 -9.479 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 1.522 -4.422 -9.442 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 7.591 -5.317 -12.903 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 8.401 -5.665 -12.479 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 7.852 -5.190 -13.843 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 -2.232 -6.120 -11.283 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 -1.971 -5.343 -11.813 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 -2.299 -5.778 -10.382 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 8.051 -5.043 -15.544 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 7.220 -5.486 -15.817 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 8.207 -4.388 -16.230 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 -0.682 -11.476 -15.959 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 -0.605 -12.207 -16.601 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 -1.422 -11.747 -15.378 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 6.199 -2.528 -10.834 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 5.825 -2.935 -11.644 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 5.938 -1.604 -10.892 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 3.653 -7.524 -11.500 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 3.250 -6.787 -11.984 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 4.467 -7.135 -11.108 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 2.975 3.819 -12.812 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 3.258 4.524 -13.396 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 2.174 4.151 -12.406 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 3.107 -4.589 -11.510 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 3.654 -4.112 -12.165 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 3.755 -4.948 -10.884 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 7.110 -4.378 -9.083 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 6.911 -3.655 -9.727 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 6.799 -4.033 -8.240 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 2.271 -7.967 -8.479 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 1.782 -7.808 -9.314 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 3.214 -7.975 -8.750 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 0.561 -7.189 -10.458 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 0.233 -6.794 -11.286 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 -0.254 -7.537 -10.015 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 11.410 -4.147 -12.469 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 12.090 -4.514 -13.085 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 11.170 -3.299 -12.859 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 12.881 -4.851 -10.258 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 12.354 -4.513 -11.012 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 13.733 -5.118 -10.665 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 12.941 -7.853 -15.603 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 13.805 -8.274 -15.794 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 13.169 -6.924 -15.425 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 11.876 -8.065 -12.528 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 11.270 -7.393 -12.153 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 12.347 -7.593 -13.232 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 -1.659 -3.473 -9.810 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 -0.834 -3.892 -9.466 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 -1.966 -2.923 -9.082 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 1.391 -9.695 -15.948 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 0.565 -10.233 -16.003 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 1.228 -8.950 -16.541 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 -4.080 -10.505 -12.812 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 -5.015 -10.321 -12.689 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 -3.661 -9.612 -12.848 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 6.200 -10.534 -17.554 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 5.368 -10.501 -18.082 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 6.837 -10.966 -18.142 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 9.414 -11.790 -15.046 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 9.191 -11.676 -15.993 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 10.327 -11.447 -14.975 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 15.335 -10.829 -18.707 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 15.601 -11.278 -19.541 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 16.102 -10.262 -18.487 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 0.472 -9.990 -19.932 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 -0.290 -10.162 -20.492 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 0.679 -10.868 -19.530 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 3.761 -10.525 -18.799 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 3.201 -11.060 -19.379 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 3.353 -9.629 -18.833 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 10.757 -12.045 -19.822 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 10.884 -11.903 -20.763 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 11.035 -12.980 -19.678 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 9.028 -9.867 -1.707 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 9.450 -9.046 -1.358 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 9.112 -9.786 -2.680 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 10.285 -7.619 -0.835 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 10.825 -7.463 -0.047 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 10.865 -7.370 -1.572 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 5.936 -17.059 1.860 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 6.607 -17.742 1.643 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 5.545 -17.366 2.707 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 5.023 -8.112 -8.395 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 4.808 -7.714 -7.521 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 5.126 -9.056 -8.206 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 9.247 -6.081 -9.054 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 8.390 -5.601 -9.041 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 9.887 -5.430 -8.675 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 11.042 -4.177 -8.383 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 11.376 -3.479 -7.816 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 11.782 -4.359 -9.003 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 7.726 -7.182 -4.222 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 6.861 -7.233 -3.760 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 7.801 -6.260 -4.481 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 -1.480 -7.981 -8.863 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 -2.326 -7.829 -8.436 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 -1.156 -8.822 -8.459 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 6.329 -9.933 -1.865 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 6.181 -10.806 -1.448 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 7.292 -9.777 -1.751 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 1.784 -12.379 -6.883 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 1.742 -11.422 -6.658 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 1.247 -12.810 -6.185 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 1.670 -9.703 -6.490 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 2.216 -9.372 -5.765 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 1.873 -9.097 -7.240 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 1.198 -13.052 -1.805 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 1.528 -12.810 -0.918 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 0.521 -13.733 -1.625 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 11.316 -8.728 -4.763 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 10.376 -8.985 -4.663 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 11.527 -8.263 -3.933 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 13.416 -8.877 -6.452 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 12.615 -8.809 -5.884 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 13.310 -8.155 -7.103 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 4.384 -13.012 -7.295 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 4.618 -12.252 -7.855 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 3.439 -12.855 -7.063 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 5.360 -7.509 -2.864 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 4.989 -7.019 -2.124 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 5.585 -8.387 -2.483 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 4.876 -11.019 -3.966 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 5.416 -10.467 -3.372 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 5.505 -11.318 -4.651 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 1.139 -11.646 -9.665 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 1.345 -11.704 -8.720 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 0.860 -12.545 -9.902 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 1.686 -6.071 -6.584 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 1.052 -5.468 -6.990 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 1.795 -6.784 -7.248 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 4.120 -7.228 -5.925 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 3.276 -6.729 -5.982 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 4.330 -7.237 -4.980 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 13.070 -6.811 -8.288 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 12.858 -6.183 -9.008 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 13.865 -6.415 -7.858 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 10.792 -8.299 -8.551 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 11.630 -7.809 -8.404 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 10.122 -7.590 -8.669 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 13.140 -5.684 2.301 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 12.927 -5.830 3.229 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 13.274 -4.733 2.234 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 8.737 -9.662 -4.488 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 8.338 -8.755 -4.482 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 8.049 -10.220 -4.886 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 4.075 -14.916 1.376 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 4.446 -15.759 1.705 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 4.719 -14.626 0.704 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 8.915 -12.207 -0.294 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 8.988 -11.289 -0.642 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 7.979 -12.441 -0.449 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 14.973 -10.721 -3.256 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 14.096 -10.479 -2.900 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 15.472 -11.016 -2.468 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 0.220 -13.507 -4.877 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 -0.435 -14.237 -4.818 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 0.420 -13.287 -3.951 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -1.190 -12.983 -7.291 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -2.112 -13.293 -7.246 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -0.813 -13.226 -6.422 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 3.845 -13.011 -2.457 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 4.101 -12.297 -3.088 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 2.872 -12.910 -2.363 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 6.184 -12.636 -0.977 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 5.382 -12.743 -1.533 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 6.335 -13.533 -0.605 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 -0.853 -10.230 -7.512 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 -0.903 -11.206 -7.494 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 -0.007 -10.024 -7.066 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 -4.052 -12.879 11.776 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 -4.426 -13.184 12.629 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 -3.899 -11.940 11.909 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 -6.975 -12.875 19.267 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 -6.322 -12.380 18.721 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 -7.021 -12.369 20.104 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 16.612 -52.178 -12.010 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 16.798 -52.899 -11.372 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 17.378 -52.207 -12.633 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 18.603 -51.902 -13.843 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 18.271 -51.139 -14.347 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 19.392 -51.557 -13.379 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 19.296 -52.199 -10.166 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 19.393 -51.932 -9.232 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 18.577 -52.865 -10.152 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 17.214 -54.059 -10.081 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 16.255 -54.146 -9.894 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 17.586 -54.937 -9.843 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 13.676 -49.364 -12.637 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 13.780 -48.429 -12.318 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 14.151 -49.376 -13.482 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 17.325 -49.427 -14.400 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 16.629 -48.746 -14.557 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 18.131 -48.901 -14.194 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 20.357 -50.643 -12.142 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 21.039 -50.171 -11.616 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 19.925 -51.239 -11.488 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 22.247 -55.055 -2.866 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 21.971 -54.170 -3.199 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 22.498 -54.893 -1.948 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 18.850 -57.420 4.145 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 19.675 -57.941 4.231 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 18.778 -57.250 3.186 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 17.699 -60.757 -3.367 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 17.132 -59.961 -3.368 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 17.467 -61.212 -2.542 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 14.556 -59.706 -0.949 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 15.374 -60.204 -0.742 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 14.613 -58.908 -0.387 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 25.282 -52.726 -3.780 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 25.320 -52.253 -2.942 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 25.917 -53.466 -3.672 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 24.106 -55.562 -5.018 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 24.113 -54.660 -5.415 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 23.458 -55.497 -4.286 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 17.067 -60.853 -0.503 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 17.291 -61.021 0.428 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 17.616 -60.076 -0.741 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 18.422 -58.572 -1.191 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 17.719 -58.408 -1.856 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 19.238 -58.254 -1.626 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 23.878 -58.258 2.378 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 23.356 -57.438 2.387 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 24.626 -58.069 2.951 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 16.638 -58.224 -3.295 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 16.857 -57.768 -4.134 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 15.759 -57.869 -3.051 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 19.421 -57.822 1.287 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 18.863 -58.021 0.503 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 20.296 -57.619 0.907 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 22.308 -50.508 -5.104 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 23.131 -50.773 -5.539 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 22.002 -49.731 -5.620 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 21.191 -56.846 -5.307 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 21.781 -56.747 -6.079 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 20.908 -57.776 -5.338 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 20.242 -54.136 2.159 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 20.042 -53.561 2.935 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 20.756 -53.559 1.554 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 24.333 -53.141 -6.241 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 24.685 -52.906 -5.350 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 24.529 -52.356 -6.784 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 18.076 -60.066 2.025 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 17.242 -59.535 1.975 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 18.783 -59.406 1.890 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 20.645 -57.535 -2.502 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 20.365 -58.120 -3.242 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 21.123 -56.805 -2.946 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 18.458 -60.569 6.364 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 18.107 -60.988 5.551 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 19.253 -60.115 6.071 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 19.566 -59.055 -4.506 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 18.875 -58.498 -4.914 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 19.075 -59.841 -4.175 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 19.909 -54.196 -7.614 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 19.834 -54.429 -6.664 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 19.788 -53.222 -7.629 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 21.933 -56.228 2.413 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 21.937 -56.471 1.459 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 21.316 -55.456 2.456 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 16.450 -58.324 5.455 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 16.078 -59.211 5.324 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 17.279 -58.332 4.943 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 22.774 -53.576 5.579 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 23.249 -52.991 4.948 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 23.087 -54.476 5.349 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 14.550 -53.927 -9.395 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 14.838 -53.893 -8.462 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 13.752 -54.501 -9.377 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 21.325 -52.617 -3.620 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 21.653 -52.015 -4.323 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 21.298 -52.045 -2.817 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 21.816 -52.889 0.257 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 22.475 -52.415 0.802 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 21.603 -52.251 -0.461 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 22.168 -53.720 -9.098 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 21.908 -53.796 -10.024 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 21.374 -54.013 -8.600 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 22.874 -56.063 -7.437 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 22.989 -55.211 -7.902 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 23.484 -56.000 -6.671 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 17.899 -57.034 -5.550 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 18.371 -56.225 -5.274 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 17.887 -56.983 -6.517 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 26.680 -55.088 -4.063 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 27.308 -55.324 -4.750 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 25.827 -55.448 -4.382 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 18.619 -56.195 -8.889 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 19.314 -56.873 -9.015 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 19.088 -55.454 -8.452 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 16.171 -53.126 6.921 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 15.342 -52.772 6.524 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 16.045 -53.000 7.880 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 20.475 -51.064 6.311 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 21.368 -51.434 6.330 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 20.616 -50.108 6.096 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 22.341 -51.091 -8.291 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 22.406 -52.027 -8.586 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 23.227 -50.898 -7.913 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 23.156 -56.232 4.877 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 22.742 -56.089 4.003 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 22.679 -56.988 5.242 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 12.178 -58.981 10.920 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 12.714 -59.642 11.371 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 11.338 -59.450 10.714 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 21.043 -57.598 -8.823 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 21.517 -58.411 -9.013 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 21.701 -57.037 -8.358 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 21.334 -58.553 3.858 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 21.362 -57.766 3.280 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 22.054 -59.111 3.530 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 21.826 -57.330 -0.089 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 22.580 -57.931 -0.168 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 21.398 -57.361 -0.978 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 20.909 -54.717 7.185 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 21.520 -54.246 6.569 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 21.368 -54.698 8.029 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 19.740 -51.515 -7.516 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 19.537 -51.308 -6.579 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 20.658 -51.182 -7.643 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 15.514 -53.857 -6.741 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 15.477 -54.552 -6.040 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 16.461 -53.703 -6.870 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 16.007 -63.050 6.025 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 16.441 -62.591 5.275 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 16.413 -63.919 6.037 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 15.836 -58.589 1.984 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 15.227 -58.751 2.718 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 15.336 -57.977 1.390 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 22.910 -47.883 3.791 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 22.406 -48.431 3.161 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 23.477 -47.330 3.219 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 23.906 -50.094 -1.189 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 22.977 -50.407 -1.320 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 23.986 -49.343 -1.789 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 23.936 -46.610 1.567 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 23.104 -46.588 1.061 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 24.623 -46.549 0.892 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 21.731 -49.283 -10.261 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 21.243 -48.655 -9.702 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 22.087 -49.939 -9.626 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 19.582 -54.700 -4.950 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 19.987 -53.969 -4.444 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 20.249 -55.427 -4.899 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 11.338 -54.663 10.037 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 12.169 -54.135 10.064 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 11.067 -54.630 9.112 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 15.461 -52.904 22.424 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 16.410 -52.716 22.524 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 15.258 -52.622 21.516 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 22.887 -42.778 16.377 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 23.746 -43.203 16.416 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 22.940 -42.204 15.580 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 13.104 -57.717 8.688 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 12.268 -57.537 8.197 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 12.801 -58.082 9.552 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 17.491 -53.290 19.551 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 17.791 -52.957 20.426 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 18.306 -53.486 19.082 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 19.596 -52.921 4.506 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 19.302 -53.568 5.159 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 19.905 -52.162 5.044 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 17.379 -54.173 11.208 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 17.309 -54.687 10.369 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 18.091 -53.552 11.042 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 15.844 -57.600 8.188 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 14.913 -57.694 8.471 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 16.029 -58.425 7.703 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 14.952 -54.167 12.386 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 14.988 -54.882 13.024 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 15.865 -54.126 12.016 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 13.726 -53.385 10.117 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 14.075 -53.631 11.005 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 14.320 -52.659 9.821 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 18.516 -55.496 6.216 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 19.404 -55.268 6.584 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 18.710 -56.149 5.511 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 17.283 -55.360 8.769 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 16.818 -56.223 8.696 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 17.779 -55.288 7.935 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 9.358 -52.147 10.145 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 9.527 -52.684 10.940 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 9.040 -52.794 9.483 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 15.792 -49.852 19.897 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 15.049 -49.231 20.048 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 15.359 -50.725 19.794 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 16.224 -47.622 18.271 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 15.418 -47.425 18.787 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 16.457 -48.526 18.541 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 18.249 -52.148 21.932 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 18.163 -51.176 21.771 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 19.035 -52.225 22.482 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 15.511 -51.569 9.153 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 16.317 -51.121 9.440 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 15.150 -50.983 8.455 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 17.759 -50.850 7.000 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 18.715 -50.880 6.795 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 17.463 -51.774 6.904 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 17.526 -46.765 -10.649 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 17.325 -47.692 -10.910 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 17.682 -46.311 -11.491 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 19.465 -48.269 -13.201 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 19.766 -49.111 -12.794 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 20.174 -47.648 -13.008 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 17.122 -42.063 -11.535 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 17.188 -41.236 -11.022 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 16.259 -42.441 -11.268 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 11.721 -33.419 -16.270 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 12.039 -33.685 -17.137 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 12.544 -33.249 -15.754 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 13.975 -32.945 -14.809 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 13.615 -32.584 -13.972 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 14.885 -33.171 -14.596 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 15.449 -45.158 -12.680 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 14.840 -45.834 -12.286 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 15.493 -44.455 -11.998 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 17.459 -39.798 -9.886 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 16.823 -39.368 -9.271 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 17.877 -39.061 -10.343 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 12.860 -39.580 -11.691 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 12.646 -40.354 -12.256 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 12.669 -39.893 -10.776 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 15.143 -32.124 -7.738 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 14.269 -32.182 -8.172 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 15.548 -33.002 -7.901 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 15.696 -38.170 -8.414 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 15.015 -38.077 -9.112 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 15.315 -37.702 -7.652 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 14.816 -43.309 -10.690 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 15.061 -43.077 -9.769 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 13.962 -43.780 -10.602 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 18.673 -44.130 -12.450 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 18.052 -43.401 -12.218 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 19.486 -43.896 -11.994 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 19.237 -41.793 -9.049 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 18.781 -42.652 -9.155 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 18.585 -41.136 -9.363 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 17.945 -44.272 -9.048 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 17.823 -44.972 -9.712 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 18.656 -44.620 -8.457 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 15.842 -42.461 -8.223 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 16.486 -43.198 -8.265 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 16.222 -41.851 -7.564 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 16.999 -49.402 -11.511 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 17.198 -49.265 -12.451 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 16.848 -50.361 -11.441 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 19.822 -48.330 -8.412 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 19.368 -49.052 -8.865 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 19.100 -47.699 -8.187 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 14.944 -45.556 -16.296 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 15.764 -45.306 -15.808 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 15.035 -45.118 -17.147 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 17.121 -44.934 -14.773 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 17.976 -44.675 -14.392 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 16.525 -44.992 -13.994 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 15.278 -47.651 -14.480 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 15.027 -47.118 -15.260 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 15.291 -47.011 -13.752 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 13.174 -34.928 -12.097 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 12.867 -35.816 -12.373 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 14.081 -35.083 -11.743 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 17.459 -47.027 -7.929 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 17.339 -46.863 -8.889 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 17.191 -46.188 -7.508 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 25.472 -35.392 -2.887 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 24.643 -35.159 -3.360 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 25.321 -36.286 -2.570 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 22.430 -37.219 2.625 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 22.456 -38.097 3.065 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 23.051 -36.683 3.129 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 21.743 -46.470 -0.155 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 22.506 -46.272 -0.744 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 21.364 -47.310 -0.524 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 20.360 -37.532 5.093 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 19.850 -37.158 4.341 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 20.949 -38.193 4.678 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 19.424 -40.404 -3.455 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 20.302 -40.114 -3.780 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 19.629 -40.996 -2.703 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 19.819 -36.530 2.574 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 19.512 -36.516 1.665 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 20.782 -36.722 2.501 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 15.724 -41.490 0.290 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 15.025 -40.996 -0.221 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 16.433 -40.840 0.400 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 26.460 -35.768 9.756 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 26.752 -35.275 8.951 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 27.201 -36.346 9.958 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 19.039 -38.782 7.171 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 18.280 -38.190 7.204 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 19.627 -38.377 6.496 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 23.283 -34.268 -4.025 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 23.513 -33.339 -3.863 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 22.317 -34.311 -3.830 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 21.780 -35.215 5.694 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 22.283 -35.560 6.452 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 21.187 -35.955 5.446 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 22.023 -31.645 -3.684 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 22.133 -31.513 -4.648 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 21.344 -32.352 -3.618 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 23.363 -50.932 1.401 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 22.691 -50.260 1.644 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 23.755 -50.587 0.568 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 24.282 -48.096 -6.145 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 23.316 -48.030 -6.304 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 24.440 -47.495 -5.390 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 20.256 -44.138 0.719 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 19.892 -44.781 1.348 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 20.954 -44.634 0.256 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 21.617 -39.502 -4.928 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 21.062 -39.936 -5.614 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 22.065 -38.796 -5.400 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 19.886 -44.962 -7.288 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 20.633 -45.515 -7.038 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 19.890 -44.242 -6.623 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 24.249 -52.087 3.764 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 24.835 -51.380 4.049 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 23.927 -51.790 2.887 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 17.176 -40.981 -5.966 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 17.078 -40.216 -5.377 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 17.276 -41.740 -5.357 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 23.935 -46.433 -3.923 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 23.359 -47.172 -3.614 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 23.303 -45.793 -4.330 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 19.755 -46.733 1.789 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 18.974 -46.883 1.193 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 20.519 -46.717 1.175 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 17.762 -38.309 -4.005 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 17.005 -38.474 -3.401 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 18.404 -39.022 -3.782 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 22.249 -39.451 4.205 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 22.306 -40.421 4.123 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 22.504 -39.277 5.144 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 16.155 -37.945 0.417 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 16.310 -37.315 1.125 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 15.167 -37.953 0.310 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 23.430 -42.072 7.286 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 24.017 -42.536 7.888 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 22.997 -41.395 7.847 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 16.156 -34.674 -1.373 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 16.045 -34.410 -0.439 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 16.102 -35.635 -1.356 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 15.734 -38.770 -2.169 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 16.130 -38.507 -1.315 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 14.877 -39.189 -1.912 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 21.054 -32.800 4.548 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 20.147 -32.788 4.914 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 21.426 -33.654 4.868 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 18.464 -36.019 -7.162 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 18.436 -36.972 -7.322 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 18.576 -35.942 -6.186 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 14.060 -36.197 -6.959 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 13.136 -36.165 -7.282 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 13.974 -36.041 -5.994 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 24.057 -45.596 -1.343 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 24.207 -44.648 -1.413 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 24.178 -45.926 -2.262 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 26.552 -49.233 -8.703 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 27.098 -48.900 -9.421 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 26.326 -48.448 -8.190 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 22.893 -35.301 -6.522 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 23.765 -35.383 -6.915 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 23.069 -34.961 -5.617 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 21.876 -44.989 -4.842 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 21.381 -44.146 -4.922 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 21.182 -45.659 -4.711 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 24.736 -50.553 -7.146 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 25.464 -50.385 -7.784 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 24.639 -49.693 -6.670 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 20.604 -33.984 -3.550 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 20.247 -33.705 -2.674 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 19.916 -34.588 -3.906 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 16.132 -34.696 -7.957 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 15.402 -35.249 -7.598 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 16.946 -35.194 -7.729 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 27.407 -32.574 11.211 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 27.302 -33.531 11.209 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 26.934 -32.282 12.022 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 20.550 -34.078 -7.140 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 21.378 -34.581 -6.959 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 19.903 -34.766 -7.383 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 22.782 -42.225 4.642 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 22.965 -42.129 5.609 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 23.619 -42.527 4.273 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 19.881 -40.663 -6.668 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 18.933 -40.586 -6.445 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 19.881 -41.066 -7.569 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 20.412 -43.557 4.438 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 20.054 -43.169 3.630 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 21.296 -43.133 4.537 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 19.993 -43.062 -5.276 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 19.133 -42.961 -4.821 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 20.155 -42.182 -5.677 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 19.641 -46.288 4.547 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 19.981 -45.371 4.569 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 19.602 -46.505 3.591 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.366 -49.005 1.814 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 20.645 -48.451 2.166 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 21.208 -49.008 0.841 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 19.581 -42.257 -1.343 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 18.941 -42.851 -1.743 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 19.910 -42.747 -0.566 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 19.258 -43.179 6.961 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 19.730 -43.170 6.104 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 18.561 -43.866 6.840 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 20.983 -48.501 5.626 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 20.366 -47.795 5.353 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 21.802 -48.309 5.121 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 21.910 -31.730 -6.504 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 21.146 -31.155 -6.272 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 21.497 -32.561 -6.817 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 15.468 -35.327 -10.619 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 15.813 -34.972 -9.779 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 15.009 -36.151 -10.360 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 27.838 -30.851 9.170 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 28.498 -30.259 9.539 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 27.689 -31.519 9.881 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 21.949 -30.558 3.306 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 22.575 -30.761 2.573 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 21.747 -31.437 3.702 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 27.552 -34.611 7.568 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 28.347 -34.859 7.089 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 27.378 -33.684 7.277 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 22.364 -48.465 -3.101 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 21.727 -48.623 -2.366 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 22.295 -49.271 -3.651 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 28.426 -53.122 0.847 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 27.533 -53.464 0.913 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 28.980 -53.902 0.829 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 18.580 -35.697 -4.457 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 18.356 -36.612 -4.168 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 17.745 -35.189 -4.309 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 21.556 -48.191 -6.333 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 21.011 -48.261 -7.150 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 20.971 -47.722 -5.698 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 17.919 -45.532 6.579 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 18.430 -45.918 5.837 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 17.380 -46.266 6.902 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 16.499 -30.604 -5.927 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.229 -31.252 -5.973 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 15.769 -31.041 -6.417 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 16.785 -40.638 22.147 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 17.061 -40.366 21.240 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 17.290 -41.440 22.315 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 19.779 -31.287 16.561 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 19.191 -31.681 15.862 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 20.457 -30.818 16.058 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 18.318 -43.034 16.501 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 18.720 -43.041 15.623 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 17.747 -43.831 16.511 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 21.076 -42.835 18.513 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 21.750 -42.942 17.809 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 20.689 -41.963 18.339 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 16.681 -45.268 16.949 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 16.876 -46.172 17.286 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 16.378 -44.780 17.753 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 19.087 -37.486 15.795 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 19.975 -37.558 15.405 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 18.503 -37.949 15.137 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 18.005 -49.499 21.420 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 18.143 -48.549 21.471 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 17.212 -49.597 20.843 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 22.630 -36.504 16.414 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 23.479 -36.089 16.586 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 22.068 -36.217 17.160 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 23.253 -39.196 11.630 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 23.548 -38.397 11.158 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 23.230 -38.925 12.566 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 17.619 -33.928 17.779 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 17.703 -33.210 18.420 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 17.947 -34.714 18.255 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 18.427 -43.300 19.307 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 19.399 -43.302 19.396 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 18.281 -43.209 18.348 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 15.795 -39.058 24.225 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 15.040 -39.547 24.592 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 16.177 -39.664 23.561 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 23.642 -30.681 15.864 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 23.352 -30.693 16.800 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 24.265 -29.940 15.818 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 17.407 -35.184 21.848 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 16.958 -35.570 22.630 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 17.281 -35.851 21.152 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 14.398 -36.348 21.214 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 13.732 -36.805 20.659 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 15.251 -36.575 20.797 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 22.937 -30.446 18.529 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 22.745 -29.482 18.407 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 23.545 -30.470 19.274 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 16.796 -37.232 19.972 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 16.930 -38.202 19.990 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 17.483 -36.910 19.351 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 15.911 -44.411 19.387 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 16.743 -43.963 19.655 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 15.518 -44.711 20.227 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 17.413 -39.935 19.588 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 18.211 -40.207 19.090 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 16.667 -40.178 18.991 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 12.713 -44.160 18.973 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 12.686 -43.423 18.334 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 12.815 -43.718 19.843 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 19.328 -44.658 11.516 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 19.718 -44.746 10.621 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 19.187 -43.685 11.621 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 23.346 -41.185 14.162 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 23.309 -40.239 14.405 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 23.263 -41.184 13.200 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 18.904 -41.996 11.482 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 19.074 -41.663 10.587 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 18.278 -41.335 11.868 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 19.511 -40.986 8.747 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 19.415 -41.774 8.169 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 19.324 -40.224 8.145 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 16.199 -36.317 24.046 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 16.296 -37.290 24.154 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 15.232 -36.187 23.965 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 19.350 -40.686 17.656 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 18.914 -41.475 17.269 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 19.597 -40.154 16.892 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 17.955 -46.522 12.846 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 18.439 -45.734 12.499 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 18.630 -47.203 12.904 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 20.803 -36.900 11.038 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 20.112 -37.577 10.824 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 21.434 -36.972 10.314 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 22.976 -38.429 14.392 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 22.954 -37.756 15.104 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 22.032 -38.521 14.121 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 14.086 -40.480 21.686 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 13.750 -39.612 21.943 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 15.052 -40.417 21.825 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 18.908 -35.979 13.018 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 18.516 -36.876 13.066 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 19.615 -36.064 12.350 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 18.794 -36.436 18.264 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 19.708 -36.152 18.480 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 18.900 -36.989 17.458 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 14.255 -45.327 21.551 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 13.881 -44.425 21.474 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 13.664 -45.772 22.204 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 22.726 -38.952 6.815 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 22.520 -39.384 7.665 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 22.898 -38.019 7.056 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 23.938 -36.645 10.395 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 23.567 -36.006 11.018 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 24.865 -36.336 10.254 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 25.796 -31.669 13.216 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 24.830 -31.759 13.269 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 25.986 -30.874 13.738 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 20.488 -38.627 13.452 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 20.634 -38.421 12.513 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 19.527 -38.839 13.502 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 20.012 -44.966 8.899 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 19.728 -44.241 8.303 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 20.598 -45.503 8.353 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 15.819 -46.516 14.604 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 16.480 -46.571 13.879 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 16.230 -45.917 15.254 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 14.635 -32.534 25.358 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 15.541 -32.815 25.122 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 14.364 -33.178 26.043 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 23.413 -36.419 7.679 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 24.186 -35.908 7.409 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 23.542 -36.562 8.639 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 12.578 -34.072 28.682 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 12.118 -33.552 29.366 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 11.902 -34.691 28.361 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 13.882 -37.253 26.358 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 13.889 -37.024 25.404 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 13.824 -38.226 26.366 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 19.163 -38.946 10.663 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 18.397 -39.209 11.236 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 19.183 -39.629 9.970 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 22.269 -40.350 9.191 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 21.324 -40.589 9.275 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 22.528 -40.072 10.096 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 25.122 -28.897 14.042 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 25.515 -28.353 13.355 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 24.263 -29.167 13.672 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 14.058 -47.649 20.086 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 13.101 -47.823 20.212 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 14.231 -46.852 20.635 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 11.570 -35.833 26.295 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 12.415 -36.251 26.568 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 11.309 -36.331 25.491 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 17.710 -32.694 22.912 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 17.689 -33.546 22.415 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 17.668 -32.969 23.851 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.271 -30.956 20.765 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 18.694 -30.163 21.154 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 18.247 -31.601 21.502 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 18.191 -29.782 18.254 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 18.149 -30.287 19.096 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 18.701 -30.365 17.654 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 20.355 -30.335 13.479 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 19.447 -30.010 13.702 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 20.236 -31.294 13.398 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 21.318 -35.397 18.683 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 21.281 -34.424 18.500 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 21.543 -35.451 19.619 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 11.787 -46.477 13.520 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 11.890 -45.505 13.640 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 12.283 -46.668 12.719 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 17.591 -46.402 9.696 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 18.345 -45.895 9.341 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 17.580 -46.179 10.639 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 23.074 -30.743 13.238 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 22.122 -30.526 13.136 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 23.189 -30.850 14.213 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 16.969 -33.985 25.284 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 16.833 -34.845 24.825 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 16.622 -34.140 26.180 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 13.905 -20.600 -15.142 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 14.173 -21.289 -14.487 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 13.338 -21.089 -15.787 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 16.368 -17.084 -16.998 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 16.485 -16.605 -17.845 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 17.278 -17.310 -16.721 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 24.367 -11.642 -18.698 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 24.926 -12.156 -19.291 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 24.893 -11.579 -17.870 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 18.854 -17.697 -15.994 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 19.660 -17.150 -16.123 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 19.175 -18.606 -16.038 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 19.218 -15.615 -12.586 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 19.404 -14.662 -12.462 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 19.950 -16.057 -12.124 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 14.238 -14.442 -19.792 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 14.221 -13.492 -19.960 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 13.296 -14.685 -19.698 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 21.048 -16.191 -16.658 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 21.895 -16.446 -17.043 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 20.487 -15.959 -17.438 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 17.285 -17.213 -13.727 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.007 -16.684 -13.329 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 17.658 -17.524 -14.573 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 14.353 -18.374 -13.501 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 15.132 -17.915 -13.849 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 14.242 -19.141 -14.095 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 20.202 -13.157 -11.779 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 20.735 -13.859 -11.344 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 20.046 -12.500 -11.065 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 19.374 -15.406 -18.600 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 19.777 -15.107 -19.442 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 18.436 -15.577 -18.832 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 27.164 -11.709 -11.050 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 26.881 -11.613 -10.114 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 27.221 -12.678 -11.181 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 15.909 -17.498 -11.353 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 16.517 -17.463 -12.120 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 15.107 -17.927 -11.710 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 12.062 -21.612 -16.926 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 11.552 -22.291 -17.375 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 11.848 -20.787 -17.414 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 14.259 -22.310 -12.977 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 13.729 -23.112 -12.821 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 14.716 -22.158 -12.125 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 20.605 -14.420 -20.848 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 20.924 -13.663 -20.304 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 21.367 -14.659 -21.388 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 21.546 -12.211 -13.963 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 22.512 -12.420 -13.901 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 21.159 -12.637 -13.167 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 19.287 -10.985 -19.664 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 20.118 -11.453 -19.449 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 19.047 -11.320 -20.555 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 26.890 -14.445 -11.514 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 27.315 -15.228 -11.143 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 27.249 -14.389 -12.434 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 26.359 -11.647 -16.644 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 26.133 -11.604 -15.699 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 27.260 -12.018 -16.653 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 16.698 -15.632 -19.328 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 15.772 -15.316 -19.454 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 17.066 -15.659 -20.241 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 22.130 -13.067 -9.387 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 22.808 -12.393 -9.140 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 21.284 -12.591 -9.291 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 12.238 -19.749 -9.096 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 13.097 -19.976 -8.683 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 12.065 -20.496 -9.707 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 12.531 -24.462 -12.221 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 12.594 -25.367 -12.600 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 12.789 -24.580 -11.279 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 16.267 -12.320 -20.800 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 16.103 -13.186 -21.191 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 17.051 -11.984 -21.285 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 14.015 -18.412 -16.981 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 14.882 -17.941 -17.015 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 14.190 -19.194 -16.423 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 13.255 -24.326 -9.546 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 13.021 -23.921 -8.682 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 13.773 -25.129 -9.300 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 24.114 -13.066 -13.790 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 24.468 -13.950 -13.641 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 24.908 -12.490 -13.795 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 26.462 -11.641 -13.744 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 26.676 -11.719 -12.790 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 26.612 -10.683 -13.942 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 22.746 -9.012 -16.944 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 23.666 -8.739 -16.850 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 22.649 -9.189 -17.900 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 26.956 -9.043 -14.083 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 27.058 -8.403 -13.350 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 27.300 -8.565 -14.865 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 27.991 -14.097 -13.950 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 27.653 -13.232 -14.238 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 28.894 -14.137 -14.321 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 21.025 -13.394 -16.417 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 21.219 -14.324 -16.187 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 21.275 -12.889 -15.611 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 18.562 -11.732 -22.213 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 18.797 -12.385 -22.880 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 18.783 -10.866 -22.639 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 17.257 -23.013 5.610 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 16.773 -22.698 6.403 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 17.108 -22.306 4.940 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 18.082 -23.594 2.579 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 17.596 -22.912 2.076 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 18.960 -23.196 2.730 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 15.608 -22.257 -6.063 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 15.835 -21.799 -5.244 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 16.320 -22.928 -6.167 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.218 -22.457 -0.893 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 18.195 -22.601 -1.857 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 18.823 -23.158 -0.561 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 18.740 -28.355 0.874 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 18.336 -29.243 0.846 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 18.876 -28.129 -0.071 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 18.159 -20.051 7.004 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 18.896 -20.359 7.579 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 18.428 -20.320 6.110 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 19.876 -24.536 -0.146 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 20.428 -24.720 0.638 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 19.657 -25.412 -0.490 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 17.004 -20.843 3.937 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 17.009 -21.029 2.972 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 16.635 -19.935 4.003 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 12.720 -17.919 -4.424 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 11.836 -18.077 -4.811 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 13.076 -18.804 -4.284 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 18.123 -25.465 4.486 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 18.079 -24.897 3.679 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 18.075 -24.828 5.220 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 19.845 -22.191 5.813 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 20.186 -22.189 4.892 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 18.926 -22.522 5.726 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 12.140 -18.147 -0.322 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 12.942 -18.547 0.067 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 11.767 -17.610 0.406 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 14.299 -13.144 -4.409 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 14.649 -12.250 -4.258 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 14.266 -13.538 -3.518 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 15.873 -18.342 4.046 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 14.905 -18.244 4.157 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 16.237 -17.537 4.428 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 27.435 -32.026 6.748 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 27.559 -31.598 7.626 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 27.380 -31.290 6.135 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 19.768 -27.207 3.144 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 19.375 -27.622 2.334 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 19.023 -26.702 3.539 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 17.638 -24.173 -6.321 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 17.313 -24.253 -7.244 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 18.458 -24.725 -6.310 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 22.983 -25.287 10.952 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 23.351 -26.141 10.621 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 22.180 -25.551 11.456 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 14.950 -26.377 -8.870 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 15.725 -25.787 -8.787 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 15.232 -27.211 -8.419 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 20.635 -22.651 3.192 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 20.970 -23.532 2.909 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 21.024 -22.036 2.559 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 21.466 -29.446 -2.069 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 21.423 -30.132 -2.761 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 22.318 -29.599 -1.640 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 19.133 -28.025 -1.832 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 20.007 -28.477 -1.872 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 18.637 -28.404 -2.582 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 19.926 -25.662 -6.427 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 20.052 -26.569 -6.799 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 20.816 -25.381 -6.196 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 23.587 -31.334 -1.451 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 22.951 -31.489 -2.181 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 24.423 -31.740 -1.776 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 16.153 -21.782 7.808 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 16.752 -21.029 7.618 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 15.278 -21.361 7.951 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 17.872 -28.903 -4.251 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 17.221 -29.520 -4.655 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 17.662 -28.050 -4.643 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 22.849 -26.079 4.989 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 23.684 -25.606 5.093 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 22.189 -25.507 5.455 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 16.826 -21.527 1.266 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 15.909 -21.605 0.928 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 17.387 -21.692 0.470 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 22.157 -23.807 8.785 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 22.254 -22.919 9.172 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 22.450 -24.411 9.498 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 15.092 -22.413 -10.255 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 14.948 -21.655 -9.648 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 14.348 -23.019 -10.062 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 14.048 -18.956 1.559 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 14.999 -18.878 1.732 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 13.629 -18.549 2.348 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 16.861 -14.791 -11.328 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 16.276 -15.552 -11.158 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 17.688 -15.194 -11.642 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 26.142 -25.070 2.593 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 26.596 -25.357 1.797 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 26.531 -24.218 2.797 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 19.756 -30.295 -5.755 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 19.180 -31.067 -5.950 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 19.273 -29.808 -5.055 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 21.353 -25.134 2.227 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 22.243 -25.471 2.398 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 20.762 -25.859 2.525 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 22.689 -29.730 -8.223 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 23.391 -30.033 -8.803 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 22.520 -30.492 -7.628 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 19.962 -11.244 -9.676 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 20.428 -10.384 -9.565 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 19.124 -11.117 -9.211 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 15.621 -28.806 -7.872 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 16.025 -29.212 -7.081 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 15.417 -29.560 -8.441 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 14.711 -20.626 -8.196 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 15.097 -21.082 -7.422 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 15.300 -19.844 -8.336 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 16.796 -24.255 -8.959 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 16.257 -23.556 -9.390 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 17.538 -24.387 -9.564 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 12.819 -16.232 -2.280 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 12.938 -16.779 -3.093 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 12.501 -16.874 -1.610 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 21.499 -15.365 -10.739 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 21.976 -16.153 -10.456 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 21.771 -14.675 -10.092 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 13.677 -20.760 8.401 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 13.907 -20.458 9.305 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 12.872 -20.245 8.173 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 16.264 -18.482 -8.782 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 16.801 -17.796 -8.380 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 16.154 -18.187 -9.712 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 20.105 -21.071 8.669 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 20.258 -21.715 7.954 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 20.905 -21.146 9.233 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 21.092 -24.590 6.405 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 21.471 -24.411 7.298 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 20.635 -23.759 6.173 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 24.063 -27.565 9.933 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 24.716 -27.593 9.230 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 24.139 -28.447 10.365 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 24.550 -29.985 11.022 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 25.250 -30.644 10.927 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 23.960 -30.360 11.711 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 21.053 -8.712 -9.142 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 21.882 -8.788 -8.623 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 21.216 -7.956 -9.746 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 11.793 -15.715 -8.627 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 10.990 -15.364 -8.178 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 12.174 -16.330 -7.987 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 11.440 -14.155 -3.554 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 11.329 -13.550 -2.794 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 11.992 -14.884 -3.199 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 13.942 -13.725 -1.750 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 13.723 -14.677 -1.840 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 13.082 -13.300 -1.547 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 17.607 -17.773 8.418 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 18.156 -17.096 8.014 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 17.750 -18.566 7.857 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 16.974 -8.699 1.597 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 17.291 -9.125 2.400 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 17.595 -7.977 1.449 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 23.737 -30.982 1.274 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 23.608 -31.040 0.301 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 24.664 -31.203 1.399 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 16.230 -34.447 -4.154 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 15.306 -34.490 -4.429 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 16.185 -34.340 -3.178 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 25.729 -32.669 -2.591 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 26.602 -32.421 -2.905 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 25.731 -33.653 -2.622 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 10.138 -18.536 -5.303 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 9.759 -18.396 -4.403 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 10.217 -19.500 -5.377 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 18.393 -32.587 -6.336 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 17.674 -33.210 -6.519 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 19.209 -33.100 -6.527 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 20.647 -28.140 -7.241 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 21.416 -28.523 -7.715 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 20.293 -28.889 -6.721 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 24.971 -14.018 -9.515 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 24.034 -13.914 -9.738 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 25.409 -14.171 -10.375 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 18.248 -21.008 17.627 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.693 -21.543 16.933 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 18.946 -20.448 17.977 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 19.394 -24.766 17.460 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 19.875 -23.985 17.135 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 18.744 -24.398 18.099 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 22.240 -23.576 16.642 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 22.163 -23.338 17.587 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 22.342 -24.551 16.648 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 17.959 -24.585 22.829 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 18.195 -24.888 23.730 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 17.291 -25.216 22.535 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 16.838 -18.634 10.863 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 16.882 -17.867 11.480 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 17.001 -18.235 9.975 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 21.248 -32.697 18.376 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 21.888 -31.978 18.546 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 20.592 -32.289 17.771 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 22.402 -21.335 10.195 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 22.684 -21.845 10.983 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 22.888 -20.505 10.266 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 19.460 -22.518 15.650 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 18.915 -22.285 14.861 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 20.339 -22.721 15.275 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 17.471 -23.671 19.090 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 16.755 -24.124 19.588 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 17.021 -22.915 18.667 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 18.061 -22.116 13.392 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 18.175 -21.573 12.582 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 17.103 -22.327 13.412 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 15.305 -26.401 18.449 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 14.373 -26.511 18.193 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 15.272 -25.779 19.210 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 23.688 -22.925 12.097 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 24.645 -22.963 12.187 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 23.449 -23.794 11.691 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 19.535 -23.458 20.857 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 19.105 -23.685 21.713 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 18.785 -23.393 20.226 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 18.319 -25.682 25.363 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.908 -25.586 26.119 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 17.415 -25.699 25.762 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 22.768 -25.496 19.761 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 22.641 -24.540 19.639 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 21.891 -25.816 20.062 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 21.510 -27.794 14.080 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 21.049 -28.615 13.824 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 21.148 -27.114 13.472 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 18.333 -24.515 12.066 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 18.458 -23.690 12.573 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 17.636 -24.295 11.426 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 21.827 -22.875 19.382 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 22.228 -22.103 19.794 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 21.014 -23.038 19.914 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 20.175 -26.103 20.348 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 19.939 -25.179 20.563 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 19.437 -26.413 19.786 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 15.666 -21.893 17.836 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 16.459 -21.317 17.736 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 15.506 -22.233 16.944 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 15.669 -23.471 13.916 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 15.328 -23.891 14.738 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 14.896 -23.476 13.309 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 14.704 -24.683 23.061 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 13.816 -24.309 23.242 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 15.280 -24.240 23.701 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 14.881 -20.548 10.886 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 15.566 -19.841 10.941 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 15.399 -21.380 10.843 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 21.684 -23.358 14.010 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 22.079 -23.407 14.911 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 22.418 -23.052 13.442 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 22.844 -27.756 18.248 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 22.949 -27.044 18.918 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 22.729 -27.270 17.406 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 18.494 -20.816 10.960 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 19.077 -20.783 10.173 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 18.008 -19.962 10.935 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 20.796 -25.567 12.590 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 21.036 -24.806 13.162 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 19.886 -25.355 12.283 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 16.619 -22.707 10.420 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 17.421 -22.157 10.543 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 16.437 -22.652 9.461 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 18.992 -28.397 21.581 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 18.443 -28.056 20.843 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 19.814 -27.881 21.518 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 14.642 -27.392 24.083 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 15.590 -27.621 23.931 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 14.505 -26.590 23.550 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 17.007 -16.414 12.434 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 17.434 -16.294 13.288 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 16.706 -15.533 12.191 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 13.567 -22.510 19.542 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 12.883 -22.793 18.897 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 14.304 -22.177 18.979 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 15.732 -25.781 26.172 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 15.257 -26.436 25.628 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 15.164 -24.982 26.138 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 15.209 -24.528 20.388 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 14.544 -23.845 20.153 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 15.095 -24.647 21.356 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 17.864 -27.292 19.287 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 17.013 -26.949 18.944 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 17.980 -28.153 18.821 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 22.699 -26.241 15.966 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 23.577 -26.237 15.573 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 22.163 -26.798 15.351 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 15.838 -30.809 22.191 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 16.338 -30.540 21.404 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 16.374 -31.540 22.570 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 17.300 -27.630 23.629 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 17.873 -27.119 24.231 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 17.920 -28.017 22.977 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 28.407 -0.742 -17.140 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 28.546 -1.360 -16.390 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 29.172 -0.161 -17.112 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 18.885 -3.380 -17.695 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 18.810 -3.268 -16.729 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 19.411 -2.626 -17.980 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 22.222 -3.707 -15.558 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 22.184 -4.437 -16.214 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 23.028 -3.905 -15.031 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 30.395 -7.813 -14.544 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 30.758 -7.612 -13.656 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 30.369 -8.790 -14.569 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 17.456 -5.674 -17.862 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 17.867 -4.793 -18.034 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 17.705 -5.874 -16.931 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 27.511 -7.467 -22.009 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 28.229 -7.409 -21.365 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 27.955 -7.447 -22.865 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 17.233 -7.137 -20.185 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 16.358 -7.048 -20.572 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 17.200 -6.572 -19.383 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 22.359 -6.073 -16.972 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 23.345 -6.071 -17.011 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 22.085 -6.325 -17.880 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 31.150 -7.657 -11.882 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 30.442 -8.201 -11.497 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 31.743 -7.459 -11.120 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 20.656 -1.507 -15.764 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 21.199 -0.735 -15.943 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 21.300 -2.254 -15.736 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 28.109 -7.507 -16.027 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 28.129 -7.673 -16.988 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 29.037 -7.647 -15.737 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 18.431 -5.946 -15.367 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 18.718 -5.011 -15.260 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 17.975 -6.147 -14.528 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 16.665 -3.474 -8.440 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 16.462 -2.581 -8.076 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 17.607 -3.624 -8.199 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 30.607 -14.035 -14.980 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 30.220 -13.302 -15.514 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 31.169 -14.509 -15.602 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 21.589 -12.567 -19.010 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 21.391 -12.811 -18.079 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 22.489 -12.186 -18.968 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 27.730 -7.130 -12.199 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 28.174 -7.900 -11.784 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 28.302 -6.366 -11.958 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 20.888 -5.391 -13.792 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 21.202 -4.668 -14.368 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 20.528 -4.930 -13.004 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 18.828 -3.283 -14.870 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 18.532 -3.133 -13.963 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 19.439 -2.532 -15.052 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 29.109 -4.879 -11.548 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 28.727 -4.011 -11.822 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 30.025 -4.854 -11.897 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 19.451 -7.624 -17.830 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 20.218 -7.464 -18.421 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 18.849 -6.876 -18.013 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 25.221 -7.593 -20.566 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 24.755 -6.780 -20.803 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 25.966 -7.639 -21.211 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 27.271 -4.836 -18.182 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 26.879 -3.943 -18.350 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 28.191 -4.648 -17.962 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 17.680 -9.691 -17.867 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 18.203 -8.864 -17.816 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 18.196 -10.257 -18.483 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 23.291 -9.286 -19.628 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 24.028 -8.781 -20.042 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 23.682 -10.162 -19.432 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 17.429 -3.510 -11.079 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 17.109 -3.454 -10.154 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 16.677 -3.862 -11.567 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 25.087 -6.049 -16.823 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 25.512 -6.025 -15.947 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 25.743 -5.632 -17.415 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 21.590 -7.166 -19.468 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 22.236 -7.899 -19.569 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 20.923 -7.341 -20.166 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 23.700 -3.563 -11.508 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 24.375 -4.137 -11.093 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 23.826 -3.710 -12.465 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 15.080 -5.775 -11.618 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 15.890 -5.789 -12.174 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 15.226 -6.503 -10.977 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 21.290 -6.334 -10.546 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 22.220 -6.103 -10.410 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 20.907 -5.536 -10.976 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 26.508 -2.234 -18.354 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 27.199 -1.634 -17.984 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 25.833 -1.637 -18.688 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 24.213 -4.749 -13.959 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 23.976 -5.591 -13.542 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 25.159 -4.859 -14.195 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 27.438 -7.547 -18.793 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 26.626 -7.687 -19.319 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 27.441 -6.583 -18.614 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 31.131 -11.247 -11.477 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 31.057 -12.209 -11.693 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 31.971 -11.176 -11.009 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 26.677 -5.807 -14.469 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 27.270 -6.276 -15.098 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 26.953 -6.142 -13.592 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 20.092 -4.041 -11.530 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 20.541 -3.226 -11.227 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 19.139 -3.877 -11.333 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 28.307 -2.478 -12.569 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 28.359 -2.503 -13.546 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 28.445 -1.553 -12.349 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 18.453 -6.264 -10.071 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 18.440 -5.522 -9.435 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 19.396 -6.491 -10.149 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 25.487 -5.612 -11.010 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 26.440 -5.492 -11.144 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 25.267 -6.393 -11.555 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 24.875 -6.655 -8.564 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 24.122 -6.117 -8.217 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 25.121 -6.207 -9.402 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 28.489 -2.804 -15.315 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 29.178 -3.505 -15.219 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 27.684 -3.294 -15.531 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 29.952 -6.221 -9.249 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 29.578 -5.636 -9.935 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 29.171 -6.502 -8.724 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 30.147 -4.934 -14.871 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 30.181 -5.897 -15.004 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 30.747 -4.780 -14.112 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 31.688 -5.055 -12.567 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 31.634 -6.010 -12.348 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 32.524 -4.770 -12.173 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 17.514 -6.095 -12.700 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 17.765 -7.017 -12.927 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 17.902 -5.956 -11.811 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 15.692 -8.714 -15.992 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 16.283 -8.983 -16.721 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 15.934 -9.320 -15.256 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 15.108 -6.009 -15.812 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 15.458 -6.926 -15.797 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 15.608 -5.578 -16.521 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 31.128 -13.849 -12.268 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 31.337 -14.753 -12.020 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 30.952 -13.898 -13.233 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 29.968 -10.468 -13.903 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 29.223 -10.122 -13.378 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 30.619 -10.754 -13.230 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 29.240 -11.936 -16.070 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 29.206 -11.312 -16.826 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 29.517 -11.372 -15.309 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 19.543 -8.376 -20.836 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 19.468 -9.209 -20.334 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 18.691 -7.908 -20.655 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 19.419 -9.437 -23.340 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 19.534 -8.941 -22.499 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 19.712 -8.823 -24.018 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 28.365 -10.036 -17.914 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 28.185 -9.214 -18.408 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 27.491 -10.325 -17.607 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 28.920 -9.579 -11.415 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 28.158 -10.164 -11.216 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 29.703 -10.155 -11.267 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 15.864 -9.346 -5.440 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 14.964 -9.137 -5.789 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 15.686 -9.885 -4.638 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 21.727 -1.924 -10.705 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 21.839 -1.111 -11.210 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 22.496 -2.487 -10.978 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 26.366 -11.987 -8.425 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 25.898 -12.818 -8.687 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 26.764 -12.198 -7.575 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 13.100 -7.255 0.049 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 13.129 -6.706 0.866 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 13.718 -7.992 0.235 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 16.918 -9.206 -8.016 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 17.612 -8.682 -7.587 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 16.371 -9.522 -7.275 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 12.467 -7.467 -2.564 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 12.801 -7.284 -1.651 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 13.005 -6.897 -3.131 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 23.299 -8.608 -7.470 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 23.953 -7.983 -7.861 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 23.190 -8.298 -6.563 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 22.611 -5.501 -7.711 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 21.780 -5.916 -7.402 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 22.369 -4.563 -7.859 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 18.291 -8.075 -5.765 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 18.734 -8.330 -4.949 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 17.371 -8.408 -5.650 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 27.613 -6.851 -7.938 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 27.606 -6.886 -6.978 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 26.668 -6.839 -8.185 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 15.293 -5.589 -7.353 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 15.973 -5.786 -6.704 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 15.656 -4.829 -7.858 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 20.165 -6.730 -7.269 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 20.347 -7.449 -7.903 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 19.469 -7.100 -6.683 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 16.225 -7.929 -10.337 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 16.261 -8.473 -9.520 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 17.018 -7.357 -10.271 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 15.899 -0.978 -7.657 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 15.418 -0.513 -8.348 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 15.884 -0.373 -6.908 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 19.230 -4.277 -8.083 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 19.549 -5.112 -7.681 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 20.033 -3.719 -8.139 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 21.669 -2.963 -8.182 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 21.676 -2.558 -9.080 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 21.974 -2.256 -7.602 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 32.574 -6.573 -9.825 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 33.129 -6.474 -9.046 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 31.661 -6.388 -9.496 1.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 14.818 -9.447 0.114 1.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 15.535 -9.099 0.691 1.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 15.164 -10.312 -0.195 1.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 15.749 -11.880 -0.871 1.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 16.533 -12.379 -0.620 1.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 15.100 -12.573 -1.142 1.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 23.773 -10.985 -8.779 1.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 24.713 -11.197 -8.617 1.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 23.610 -10.189 -8.232 1.00 0.00 WAT1 END