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: -1712.76, 111.279, 161.799, 75.5226, 683.863, -654.212, -2099.47, 7.91581, 0.541178 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.755987E-03,0.491248,1.27845,42.836,5.885787E-03,0.219125 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 69, 19 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:57 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -1.459 -15.378 -29.302 1.00 22.13 ATOM 2 CB MET 1 -3.239 -16.508 -28.873 1.00 10.24 ATOM 3 HB1 MET 1 -3.586 -17.522 -29.019 1.00 38.34 ATOM 4 HB2 MET 1 -3.882 -15.842 -29.431 1.00 64.24 ATOM 5 CG MET 1 -3.379 -16.169 -27.391 1.00 33.11 ATOM 6 HG1 MET 1 -4.431 -16.103 -27.150 1.00 38.34 ATOM 7 HG2 MET 1 -2.912 -15.212 -27.208 1.00 52.25 ATOM 8 SD MET 1 -2.616 -17.399 -26.311 1.00 25.34 ATOM 9 CE MET 1 -3.003 -16.719 -24.697 1.00 31.52 ATOM 10 HE1 MET 1 -4.074 -16.623 -24.595 1.00 52.30 ATOM 11 HE2 MET 1 -2.543 -15.748 -24.595 1.00 4.40 ATOM 12 HE3 MET 1 -2.626 -17.377 -23.927 1.00 34.30 ATOM 13 C MET 1 -0.855 -17.339 -28.689 1.00 31.31 ATOM 14 O MET 1 -0.865 -18.552 -28.916 1.00 63.22 ATOM 15 N MET 1 -1.815 -16.690 -30.893 1.00 12.41 ATOM 16 HT1 MET 1 -2.426 -16.016 -31.391 1.00 38.34 ATOM 17 HT2 MET 1 -2.172 -17.652 -31.065 1.00 38.34 ATOM 18 HT3 MET 1 -0.852 -16.619 -31.280 1.00 38.34 ATOM 19 CA MET 1 -1.808 -16.393 -29.433 1.00 22.21 ATOM 20 N GLY 2 -0.024 -16.779 -27.809 1.00 64.25 ATOM 21 HN GLY 2 -0.047 -15.805 -27.681 1.00 38.34 ATOM 22 CA GLY 2 0.919 -17.587 -27.038 1.00 62.34 ATOM 23 HA1 GLY 2 1.924 -17.328 -27.341 1.00 38.34 ATOM 24 HA2 GLY 2 0.751 -18.633 -27.255 1.00 12.12 ATOM 25 C GLY 2 0.791 -17.372 -25.532 1.00 72.44 ATOM 26 O GLY 2 0.417 -16.288 -25.079 1.00 1.13 ATOM 27 N HIS 3 1.136 -18.395 -24.752 1.00 4.23 ATOM 28 HN HIS 3 1.504 -19.204 -25.170 1.00 38.34 ATOM 29 CA HIS 3 1.003 -18.349 -23.288 1.00 24.12 ATOM 30 HA HIS 3 0.083 -17.830 -23.057 1.00 32.15 ATOM 31 CB HIS 3 0.916 -19.776 -22.727 1.00 34.23 ATOM 32 HB1 HIS 3 0.840 -19.728 -21.650 1.00 38.34 ATOM 33 HB2 HIS 3 1.813 -20.316 -22.993 1.00 15.54 ATOM 34 CG HIS 3 -0.257 -20.554 -23.237 1.00 51.22 ATOM 35 ND1 HIS 3 -0.135 -21.686 -24.014 1.00 22.34 ATOM 36 HD1 HIS 3 0.708 -22.092 -24.308 1.00 41.44 ATOM 37 CD2 HIS 3 -1.586 -20.363 -23.068 1.00 32.32 ATOM 38 HD2 HIS 3 -2.053 -19.558 -22.516 1.00 24.20 ATOM 39 CE1 HIS 3 -1.333 -22.154 -24.298 1.00 73.22 ATOM 40 HE1 HIS 3 -1.544 -23.027 -24.895 1.00 14.44 ATOM 41 NE2 HIS 3 -2.229 -21.372 -23.736 1.00 62.33 ATOM 42 HE2 HIS 3 -3.193 -21.397 -23.931 1.00 38.34 ATOM 43 C HIS 3 2.170 -17.597 -22.619 1.00 41.30 ATOM 44 O HIS 3 2.612 -17.963 -21.529 1.00 74.43 ATOM 45 N HIS 4 2.641 -16.524 -23.255 1.00 13.31 ATOM 46 HN HIS 4 2.238 -16.267 -24.108 1.00 38.34 ATOM 47 CA HIS 4 3.737 -15.719 -22.702 1.00 73.12 ATOM 48 HA HIS 4 4.478 -16.411 -22.321 1.00 34.05 ATOM 49 CB HIS 4 4.397 -14.863 -23.802 1.00 62.01 ATOM 50 HB1 HIS 4 4.981 -15.507 -24.445 1.00 38.34 ATOM 51 HB2 HIS 4 5.055 -14.141 -23.341 1.00 12.32 ATOM 52 CG HIS 4 3.425 -14.110 -24.662 1.00 72.10 ATOM 53 ND1 HIS 4 2.754 -12.984 -24.237 1.00 43.13 ATOM 54 HD1 HIS 4 2.851 -12.554 -23.357 1.00 44.11 ATOM 55 CD2 HIS 4 3.001 -14.334 -25.932 1.00 30.43 ATOM 56 HD2 HIS 4 3.316 -15.138 -26.582 1.00 51.33 ATOM 57 CE1 HIS 4 1.964 -12.555 -25.199 1.00 53.33 ATOM 58 HE1 HIS 4 1.320 -11.691 -25.146 1.00 0.23 ATOM 59 NE2 HIS 4 2.093 -13.352 -26.233 1.00 0.23 ATOM 60 HE2 HIS 4 1.725 -13.170 -27.126 1.00 38.34 ATOM 61 C HIS 4 3.258 -14.843 -21.525 1.00 31.25 ATOM 62 O HIS 4 3.143 -13.621 -21.641 1.00 21.14 ATOM 63 N HIS 5 2.941 -15.503 -20.408 1.00 52.24 ATOM 64 HN HIS 5 2.973 -16.482 -20.427 1.00 38.34 ATOM 65 CA HIS 5 2.543 -14.837 -19.153 1.00 64.22 ATOM 66 HA HIS 5 3.038 -13.878 -19.104 1.00 53.31 ATOM 67 CB HIS 5 1.017 -14.628 -19.095 1.00 74.45 ATOM 68 HB1 HIS 5 0.760 -14.205 -18.132 1.00 38.34 ATOM 69 HB2 HIS 5 0.528 -15.585 -19.197 1.00 71.41 ATOM 70 CG HIS 5 0.462 -13.722 -20.154 1.00 14.34 ATOM 71 ND1 HIS 5 -0.430 -14.149 -21.113 1.00 71.21 ATOM 72 HD1 HIS 5 -0.782 -15.061 -21.201 1.00 23.30 ATOM 73 CD2 HIS 5 0.654 -12.401 -20.389 1.00 72.04 ATOM 74 HD2 HIS 5 1.298 -11.737 -19.828 1.00 4.14 ATOM 75 CE1 HIS 5 -0.761 -13.135 -21.889 1.00 15.33 ATOM 76 HE1 HIS 5 -1.443 -13.178 -22.725 1.00 73.32 ATOM 77 NE2 HIS 5 -0.119 -12.063 -21.472 1.00 15.54 ATOM 78 HE2 HIS 5 -0.350 -11.141 -21.728 1.00 38.34 ATOM 79 C HIS 5 2.972 -15.682 -17.940 1.00 21.44 ATOM 80 O HIS 5 2.476 -15.491 -16.827 1.00 70.31 ATOM 81 N HIS 6 3.925 -16.592 -18.151 1.00 54.04 ATOM 82 HN HIS 6 4.411 -16.577 -19.003 1.00 38.34 ATOM 83 CA HIS 6 4.282 -17.596 -17.136 1.00 21.04 ATOM 84 HA HIS 6 3.365 -17.889 -16.645 1.00 44.13 ATOM 85 CB HIS 6 4.883 -18.849 -17.806 1.00 40.22 ATOM 86 HB1 HIS 6 4.141 -19.282 -18.464 1.00 38.34 ATOM 87 HB2 HIS 6 5.131 -19.570 -17.041 1.00 12.03 ATOM 88 CG HIS 6 6.125 -18.599 -18.614 1.00 22.03 ATOM 89 ND1 HIS 6 7.377 -18.471 -18.052 1.00 31.52 ATOM 90 HD1 HIS 6 7.585 -18.521 -17.089 1.00 60.43 ATOM 91 CD2 HIS 6 6.307 -18.472 -19.953 1.00 33.00 ATOM 92 HD2 HIS 6 5.539 -18.518 -20.713 1.00 31.34 ATOM 93 CE1 HIS 6 8.269 -18.277 -19.001 1.00 42.20 ATOM 94 HE1 HIS 6 9.330 -18.143 -18.852 1.00 34.31 ATOM 95 NE2 HIS 6 7.649 -18.273 -20.162 1.00 75.12 ATOM 96 HE2 HIS 6 8.098 -18.319 -21.034 1.00 38.34 ATOM 97 C HIS 6 5.239 -17.053 -16.053 1.00 54.22 ATOM 98 O HIS 6 6.148 -17.755 -15.612 1.00 30.22 ATOM 99 N HIS 7 5.005 -15.823 -15.592 1.00 74.54 ATOM 100 HN HIS 7 4.307 -15.283 -16.013 1.00 38.34 ATOM 101 CA HIS 7 5.775 -15.259 -14.469 1.00 25.22 ATOM 102 HA HIS 7 6.804 -15.577 -14.590 1.00 62.11 ATOM 103 CB HIS 7 5.732 -13.718 -14.492 1.00 52.32 ATOM 104 HB1 HIS 7 6.341 -13.363 -15.314 1.00 38.34 ATOM 105 HB2 HIS 7 6.145 -13.341 -13.567 1.00 60.24 ATOM 106 CG HIS 7 4.358 -13.130 -14.651 1.00 32.20 ATOM 107 ND1 HIS 7 3.980 -12.397 -15.755 1.00 64.13 ATOM 108 HD1 HIS 7 4.553 -12.180 -16.526 1.00 53.40 ATOM 109 CD2 HIS 7 3.275 -13.149 -13.834 1.00 5.21 ATOM 110 HD2 HIS 7 3.206 -13.636 -12.872 1.00 15.52 ATOM 111 CE1 HIS 7 2.735 -11.994 -15.613 1.00 1.32 ATOM 112 HE1 HIS 7 2.177 -11.405 -16.325 1.00 40.54 ATOM 113 NE2 HIS 7 2.282 -12.436 -14.458 1.00 14.11 ATOM 114 HE2 HIS 7 1.461 -12.116 -14.025 1.00 38.34 ATOM 115 C HIS 7 5.263 -15.805 -13.122 1.00 34.23 ATOM 116 O HIS 7 4.965 -15.048 -12.196 1.00 42.21 ATOM 117 N HIS 8 5.179 -17.128 -13.026 1.00 72.42 ATOM 118 HN HIS 8 5.475 -17.673 -13.786 1.00 38.34 ATOM 119 CA HIS 8 4.680 -17.807 -11.827 1.00 61.22 ATOM 120 HA HIS 8 4.660 -17.088 -11.016 1.00 21.35 ATOM 121 CB HIS 8 3.253 -18.328 -12.070 1.00 45.32 ATOM 122 HB1 HIS 8 3.235 -18.881 -12.998 1.00 38.34 ATOM 123 HB2 HIS 8 2.579 -17.487 -12.150 1.00 61.43 ATOM 124 CG HIS 8 2.732 -19.229 -10.988 1.00 1.24 ATOM 125 ND1 HIS 8 2.903 -20.598 -11.005 1.00 63.44 ATOM 126 HD1 HIS 8 3.369 -21.113 -11.702 1.00 32.44 ATOM 127 CD2 HIS 8 2.037 -18.959 -9.856 1.00 71.20 ATOM 128 HD2 HIS 8 1.724 -17.983 -9.513 1.00 24.40 ATOM 129 CE1 HIS 8 2.341 -21.125 -9.940 1.00 63.32 ATOM 130 HE1 HIS 8 2.322 -22.177 -9.692 1.00 33.23 ATOM 131 NE2 HIS 8 1.807 -20.157 -9.226 1.00 54.30 ATOM 132 HE2 HIS 8 1.165 -20.295 -8.493 1.00 38.34 ATOM 133 C HIS 8 5.609 -18.963 -11.438 1.00 41.20 ATOM 134 O HIS 8 6.351 -18.875 -10.458 1.00 34.00 ATOM 135 N SER 9 5.578 -20.036 -12.226 1.00 62.22 ATOM 136 HN SER 9 5.000 -20.032 -13.020 1.00 38.34 ATOM 137 CA SER 9 6.391 -21.223 -11.944 1.00 23.03 ATOM 138 HA SER 9 6.310 -21.428 -10.885 1.00 53.43 ATOM 139 CB SER 9 5.858 -22.438 -12.719 1.00 23.45 ATOM 140 HB1 SER 9 6.436 -23.313 -12.456 1.00 38.34 ATOM 141 HB2 SER 9 5.947 -22.254 -13.780 1.00 25.33 ATOM 142 OG SER 9 4.489 -22.685 -12.410 1.00 52.42 ATOM 143 HG SER 9 4.087 -23.194 -13.129 1.00 42.05 ATOM 144 C SER 9 7.869 -20.978 -12.276 1.00 45.22 ATOM 145 O SER 9 8.348 -21.331 -13.358 1.00 5.34 ATOM 146 N HIS 10 8.570 -20.331 -11.347 1.00 42.41 ATOM 147 HN HIS 10 8.105 -20.023 -10.539 1.00 38.34 ATOM 148 CA HIS 10 10.004 -20.055 -11.487 1.00 21.22 ATOM 149 HA HIS 10 10.192 -19.751 -12.508 1.00 63.23 ATOM 150 CB HIS 10 10.396 -18.912 -10.538 1.00 64.31 ATOM 151 HB1 HIS 10 10.239 -19.230 -9.516 1.00 38.34 ATOM 152 HB2 HIS 10 9.765 -18.059 -10.739 1.00 31.04 ATOM 153 CG HIS 10 11.819 -18.464 -10.666 1.00 2.04 ATOM 154 ND1 HIS 10 12.204 -17.422 -11.476 1.00 53.42 ATOM 155 HD1 HIS 10 11.608 -16.886 -12.043 1.00 12.31 ATOM 156 CD2 HIS 10 12.950 -18.900 -10.060 1.00 41.11 ATOM 157 HD2 HIS 10 13.025 -19.713 -9.352 1.00 73.15 ATOM 158 CE1 HIS 10 13.503 -17.238 -11.370 1.00 63.32 ATOM 159 HE1 HIS 10 14.077 -16.488 -11.893 1.00 35.35 ATOM 160 NE2 HIS 10 13.983 -18.118 -10.516 1.00 43.54 ATOM 161 HE2 HIS 10 14.859 -18.041 -10.078 1.00 38.34 ATOM 162 C HIS 10 10.823 -21.315 -11.178 1.00 74.22 ATOM 163 O HIS 10 11.849 -21.580 -11.801 1.00 43.42 ATOM 164 N MET 11 10.359 -22.070 -10.190 1.00 23.43 ATOM 165 HN MET 11 9.581 -21.752 -9.684 1.00 38.34 ATOM 166 CA MET 11 10.949 -23.361 -9.830 1.00 32.41 ATOM 167 HA MET 11 11.888 -23.476 -10.357 1.00 3.42 ATOM 168 CB MET 11 11.201 -23.402 -8.315 1.00 71.11 ATOM 169 HB1 MET 11 11.589 -24.376 -8.052 1.00 38.34 ATOM 170 HB2 MET 11 10.261 -23.251 -7.800 1.00 21.42 ATOM 171 CG MET 11 12.186 -22.349 -7.824 1.00 43.42 ATOM 172 HG1 MET 11 12.206 -22.367 -6.743 1.00 38.34 ATOM 173 HG2 MET 11 11.854 -21.378 -8.160 1.00 55.32 ATOM 174 SD MET 11 13.860 -22.627 -8.437 1.00 52.14 ATOM 175 CE MET 11 14.216 -24.233 -7.722 1.00 41.02 ATOM 176 HE1 MET 11 13.493 -24.953 -8.076 1.00 23.15 ATOM 177 HE2 MET 11 14.161 -24.168 -6.646 1.00 41.21 ATOM 178 HE3 MET 11 15.208 -24.545 -8.014 1.00 41.22 ATOM 179 C MET 11 9.996 -24.500 -10.232 1.00 21.53 ATOM 180 O MET 11 8.835 -24.245 -10.560 1.00 52.33 ATOM 181 N PRO 12 10.459 -25.768 -10.237 1.00 52.34 ATOM 182 CA PRO 12 9.559 -26.920 -10.416 1.00 44.23 ATOM 183 HA PRO 12 9.060 -26.881 -11.375 1.00 51.23 ATOM 184 CB PRO 12 10.501 -28.138 -10.369 1.00 50.22 ATOM 185 HB1 PRO 12 10.697 -28.484 -11.375 1.00 38.34 ATOM 186 HB2 PRO 12 10.045 -28.935 -9.797 1.00 24.54 ATOM 187 CG PRO 12 11.748 -27.637 -9.715 1.00 24.43 ATOM 188 HG1 PRO 12 12.603 -28.192 -10.075 1.00 38.34 ATOM 189 HG2 PRO 12 11.665 -27.733 -8.641 1.00 22.35 ATOM 190 CD PRO 12 11.866 -26.187 -10.103 1.00 5.43 ATOM 191 HD1 PRO 12 12.390 -26.085 -11.043 1.00 38.34 ATOM 192 HD2 PRO 12 12.366 -25.626 -9.327 1.00 73.32 ATOM 193 C PRO 12 8.499 -26.977 -9.302 1.00 11.14 ATOM 194 O PRO 12 8.611 -27.745 -8.345 1.00 51.34 ATOM 195 N ASP 13 7.481 -26.124 -9.427 1.00 25.30 ATOM 196 HN ASP 13 7.429 -25.568 -10.235 1.00 38.34 ATOM 197 CA ASP 13 6.460 -25.966 -8.390 1.00 13.51 ATOM 198 HA ASP 13 6.970 -25.722 -7.468 1.00 4.41 ATOM 199 CB ASP 13 5.525 -24.805 -8.762 1.00 73.15 ATOM 200 HB1 ASP 13 4.783 -25.157 -9.466 1.00 38.34 ATOM 201 HB2 ASP 13 6.105 -24.019 -9.227 1.00 41.11 ATOM 202 CG ASP 13 4.811 -24.227 -7.555 1.00 43.55 ATOM 203 OD1 ASP 13 3.756 -24.762 -7.165 1.00 21.21 ATOM 204 OD2 ASP 13 5.312 -23.239 -6.978 1.00 31.25 ATOM 205 C ASP 13 5.661 -27.267 -8.184 1.00 31.54 ATOM 206 O ASP 13 5.241 -27.588 -7.069 1.00 42.14 ATOM 207 N HIS 14 5.455 -28.005 -9.273 1.00 51.11 ATOM 208 HN HIS 14 5.756 -27.661 -10.138 1.00 38.34 ATOM 209 CA HIS 14 4.809 -29.322 -9.219 1.00 24.44 ATOM 210 HA HIS 14 4.323 -29.419 -8.258 1.00 14.43 ATOM 211 CB HIS 14 3.752 -29.451 -10.329 1.00 15.24 ATOM 212 HB1 HIS 14 3.541 -30.499 -10.496 1.00 38.34 ATOM 213 HB2 HIS 14 4.148 -29.026 -11.240 1.00 13.21 ATOM 214 CG HIS 14 2.453 -28.763 -10.033 1.00 31.43 ATOM 215 ND1 HIS 14 1.260 -29.444 -9.890 1.00 5.20 ATOM 216 HD1 HIS 14 1.144 -30.420 -9.956 1.00 72.10 ATOM 217 CD2 HIS 14 2.152 -27.452 -9.875 1.00 74.54 ATOM 218 HD2 HIS 14 2.844 -26.624 -9.926 1.00 70.53 ATOM 219 CE1 HIS 14 0.290 -28.585 -9.656 1.00 33.11 ATOM 220 HE1 HIS 14 -0.749 -28.834 -9.507 1.00 32.03 ATOM 221 NE2 HIS 14 0.803 -27.372 -9.641 1.00 25.35 ATOM 222 HE2 HIS 14 0.282 -26.541 -9.588 1.00 38.34 ATOM 223 C HIS 14 5.843 -30.449 -9.370 1.00 53.20 ATOM 224 O HIS 14 6.356 -30.678 -10.460 1.00 2.25 ATOM 225 N GLY 15 6.160 -31.134 -8.272 1.00 60.11 ATOM 226 HN GLY 15 5.815 -30.839 -7.405 1.00 38.34 ATOM 227 CA GLY 15 7.028 -32.310 -8.353 1.00 1.24 ATOM 228 HA1 GLY 15 7.283 -32.624 -7.352 1.00 38.34 ATOM 229 HA2 GLY 15 7.934 -32.045 -8.879 1.00 72.43 ATOM 230 C GLY 15 6.353 -33.475 -9.078 1.00 40.50 ATOM 231 O GLY 15 7.012 -34.397 -9.571 1.00 65.34 ATOM 232 N ASP 16 5.026 -33.422 -9.133 1.00 31.14 ATOM 233 HN ASP 16 4.571 -32.678 -8.686 1.00 38.34 ATOM 234 CA ASP 16 4.214 -34.429 -9.818 1.00 64.31 ATOM 235 HA ASP 16 4.624 -35.400 -9.580 1.00 61.41 ATOM 236 CB ASP 16 2.776 -34.363 -9.284 1.00 52.41 ATOM 237 HB1 ASP 16 2.743 -34.808 -8.299 1.00 38.34 ATOM 238 HB2 ASP 16 2.124 -34.921 -9.945 1.00 32.13 ATOM 239 CG ASP 16 2.266 -32.931 -9.186 1.00 31.24 ATOM 240 OD1 ASP 16 1.526 -32.479 -10.084 1.00 2.43 ATOM 241 OD2 ASP 16 2.613 -32.242 -8.203 1.00 44.40 ATOM 242 C ASP 16 4.236 -34.249 -11.350 1.00 70.23 ATOM 243 O ASP 16 3.245 -33.838 -11.955 1.00 25.22 ATOM 244 N TRP 17 5.372 -34.551 -11.973 1.00 3.50 ATOM 245 HN TRP 17 6.155 -34.812 -11.443 1.00 38.34 ATOM 246 CA TRP 17 5.481 -34.482 -13.435 1.00 53.41 ATOM 247 HA TRP 17 4.871 -33.654 -13.771 1.00 24.21 ATOM 248 CB TRP 17 6.932 -34.226 -13.857 1.00 23.22 ATOM 249 HB1 TRP 17 6.993 -34.238 -14.937 1.00 38.34 ATOM 250 HB2 TRP 17 7.558 -35.012 -13.461 1.00 11.22 ATOM 251 CG TRP 17 7.480 -32.912 -13.379 1.00 12.22 ATOM 252 CD1 TRP 17 8.499 -32.721 -12.489 1.00 12.14 ATOM 253 HD1 TRP 17 9.048 -33.518 -12.011 1.00 11.11 ATOM 254 CD2 TRP 17 7.034 -31.606 -13.763 1.00 3.44 ATOM 255 NE1 TRP 17 8.718 -31.378 -12.306 1.00 62.14 ATOM 256 HE1 TRP 17 9.398 -30.988 -11.717 1.00 74.11 ATOM 257 CE2 TRP 17 7.830 -30.674 -13.074 1.00 34.21 ATOM 258 CE3 TRP 17 6.039 -31.136 -14.625 1.00 31.13 ATOM 259 HE3 TRP 17 5.406 -31.819 -15.171 1.00 21.14 ATOM 260 CZ2 TRP 17 7.665 -29.299 -13.219 1.00 75.13 ATOM 261 HZ2 TRP 17 8.283 -28.591 -12.686 1.00 50.52 ATOM 262 CZ3 TRP 17 5.875 -29.770 -14.769 1.00 34.41 ATOM 263 HZ3 TRP 17 5.111 -29.387 -15.430 1.00 11.34 ATOM 264 CH2 TRP 17 6.684 -28.866 -14.069 1.00 41.54 ATOM 265 HH2 TRP 17 6.520 -27.807 -14.212 1.00 65.23 ATOM 266 C TRP 17 4.962 -35.766 -14.100 1.00 12.03 ATOM 267 O TRP 17 4.983 -35.896 -15.324 1.00 51.23 ATOM 268 N THR 18 4.497 -36.716 -13.291 1.00 40.41 ATOM 269 HN THR 18 4.530 -36.577 -12.323 1.00 38.34 ATOM 270 CA THR 18 3.931 -37.965 -13.811 1.00 60.13 ATOM 271 HA THR 18 4.586 -38.318 -14.599 1.00 34.15 ATOM 272 CB THR 18 3.859 -39.064 -12.720 1.00 42.42 ATOM 273 HB THR 18 3.370 -39.935 -13.139 1.00 62.41 ATOM 274 OG1 THR 18 3.098 -38.603 -11.593 1.00 23.52 ATOM 275 HG1 THR 18 2.303 -39.143 -11.502 1.00 70.43 ATOM 276 CG2 THR 18 5.254 -39.469 -12.257 1.00 52.44 ATOM 277 HG21 THR 18 5.760 -38.610 -11.840 1.00 73.13 ATOM 278 HG22 THR 18 5.818 -39.847 -13.097 1.00 11.32 ATOM 279 HG23 THR 18 5.175 -40.239 -11.503 1.00 25.02 ATOM 280 C THR 18 2.534 -37.738 -14.408 1.00 53.45 ATOM 281 O THR 18 1.510 -38.014 -13.775 1.00 11.15 ATOM 282 N TYR 19 2.509 -37.213 -15.634 1.00 43.14 ATOM 283 HN TYR 19 3.362 -37.022 -16.078 1.00 38.34 ATOM 284 CA TYR 19 1.261 -36.903 -16.343 1.00 62.11 ATOM 285 HA TYR 19 0.732 -36.151 -15.771 1.00 65.52 ATOM 286 CB TYR 19 1.598 -36.333 -17.735 1.00 71.40 ATOM 287 HB1 TYR 19 2.007 -37.127 -18.346 1.00 38.34 ATOM 288 HB2 TYR 19 2.347 -35.562 -17.622 1.00 12.10 ATOM 289 CG TYR 19 0.423 -35.724 -18.484 1.00 1.45 ATOM 290 CD1 TYR 19 0.070 -34.392 -18.292 1.00 43.33 ATOM 291 HD1 TYR 19 0.637 -33.795 -17.594 1.00 11.24 ATOM 292 CD2 TYR 19 -0.324 -36.473 -19.389 1.00 71.22 ATOM 293 HD2 TYR 19 -0.066 -37.510 -19.556 1.00 71.44 ATOM 294 CE1 TYR 19 -0.990 -33.826 -18.974 1.00 53.11 ATOM 295 HE1 TYR 19 -1.246 -32.788 -18.810 1.00 13.13 ATOM 296 CE2 TYR 19 -1.387 -35.911 -20.073 1.00 54.43 ATOM 297 HE2 TYR 19 -1.955 -36.510 -20.770 1.00 50.33 ATOM 298 CZ TYR 19 -1.715 -34.589 -19.862 1.00 23.32 ATOM 299 OH TYR 19 -2.776 -34.027 -20.542 1.00 73.52 ATOM 300 HH TYR 19 -3.517 -34.647 -20.545 1.00 32.34 ATOM 301 C TYR 19 0.376 -38.156 -16.470 1.00 72.15 ATOM 302 O TYR 19 0.619 -39.013 -17.327 1.00 13.41 ATOM 303 N GLU 20 -0.630 -38.265 -15.594 1.00 25.33 ATOM 304 HN GLU 20 -0.776 -37.539 -14.953 1.00 38.34 ATOM 305 CA GLU 20 -1.522 -39.435 -15.557 1.00 31.14 ATOM 306 HA GLU 20 -2.185 -39.298 -14.713 1.00 3.51 ATOM 307 CB GLU 20 -2.375 -39.503 -16.840 1.00 24.31 ATOM 308 HB1 GLU 20 -2.691 -40.526 -16.995 1.00 38.34 ATOM 309 HB2 GLU 20 -1.768 -39.196 -17.680 1.00 44.23 ATOM 310 CG GLU 20 -3.625 -38.620 -16.804 1.00 53.55 ATOM 311 HG1 GLU 20 -4.309 -39.024 -16.071 1.00 38.34 ATOM 312 HG2 GLU 20 -4.094 -38.649 -17.777 1.00 61.40 ATOM 313 CD GLU 20 -3.337 -37.166 -16.449 1.00 72.02 ATOM 314 OE1 GLU 20 -3.130 -36.348 -17.368 1.00 11.30 ATOM 315 OE2 GLU 20 -3.335 -36.827 -15.243 1.00 12.12 ATOM 316 C GLU 20 -0.740 -40.742 -15.333 1.00 1.03 ATOM 317 O GLU 20 -0.970 -41.752 -16.005 1.00 54.14 ATOM 318 N GLU 21 0.179 -40.713 -14.369 1.00 31.11 ATOM 319 HN GLU 21 0.336 -39.869 -13.890 1.00 38.34 ATOM 320 CA GLU 21 0.968 -41.896 -14.006 1.00 10.02 ATOM 321 HA GLU 21 0.387 -42.772 -14.262 1.00 10.42 ATOM 322 CB GLU 21 2.281 -41.917 -14.809 1.00 24.35 ATOM 323 HB1 GLU 21 2.832 -41.013 -14.591 1.00 38.34 ATOM 324 HB2 GLU 21 2.041 -41.931 -15.863 1.00 2.44 ATOM 325 CG GLU 21 3.188 -43.112 -14.511 1.00 53.31 ATOM 326 HG1 GLU 21 3.513 -43.050 -13.481 1.00 38.34 ATOM 327 HG2 GLU 21 4.052 -43.061 -15.159 1.00 53.24 ATOM 328 CD GLU 21 2.498 -44.452 -14.728 1.00 14.41 ATOM 329 OE1 GLU 21 2.257 -45.176 -13.738 1.00 24.13 ATOM 330 OE2 GLU 21 2.188 -44.787 -15.890 1.00 60.45 ATOM 331 C GLU 21 1.262 -41.929 -12.496 1.00 12.13 ATOM 332 O GLU 21 1.386 -40.883 -11.854 1.00 74.34 ATOM 333 N GLN 22 1.370 -43.136 -11.941 1.00 1.23 ATOM 334 HN GLN 22 1.249 -43.928 -12.508 1.00 38.34 ATOM 335 CA GLN 22 1.659 -43.325 -10.513 1.00 63.12 ATOM 336 HA GLN 22 0.908 -42.788 -9.950 1.00 42.41 ATOM 337 CB GLN 22 1.573 -44.828 -10.170 1.00 0.43 ATOM 338 HB1 GLN 22 2.561 -45.261 -10.241 1.00 38.34 ATOM 339 HB2 GLN 22 0.933 -45.310 -10.895 1.00 24.32 ATOM 340 CG GLN 22 1.017 -45.131 -8.778 1.00 23.41 ATOM 341 HG1 GLN 22 0.788 -46.187 -8.720 1.00 38.34 ATOM 342 HG2 GLN 22 0.105 -44.566 -8.639 1.00 24.11 ATOM 343 CD GLN 22 1.970 -44.781 -7.649 1.00 23.02 ATOM 344 OE1 GLN 22 1.980 -43.661 -7.151 1.00 45.52 ATOM 345 NE2 GLN 22 2.773 -45.739 -7.232 1.00 63.33 ATOM 346 HE21 GLN 22 2.717 -46.614 -7.663 1.00 33.41 ATOM 347 HE22 GLN 22 3.382 -45.536 -6.493 1.00 4.23 ATOM 348 C GLN 22 3.050 -42.752 -10.162 1.00 13.45 ATOM 349 O GLN 22 4.010 -42.906 -10.925 1.00 54.20 ATOM 350 N PHE 23 3.157 -42.102 -9.004 1.00 13.00 ATOM 351 HN PHE 23 2.407 -42.131 -8.370 1.00 38.34 ATOM 352 CA PHE 23 4.372 -41.363 -8.640 1.00 21.52 ATOM 353 HA PHE 23 4.658 -40.774 -9.501 1.00 34.45 ATOM 354 CB PHE 23 4.076 -40.409 -7.473 1.00 14.43 ATOM 355 HB1 PHE 23 4.074 -40.971 -6.550 1.00 38.34 ATOM 356 HB2 PHE 23 3.101 -39.966 -7.618 1.00 10.03 ATOM 357 CG PHE 23 5.074 -39.286 -7.337 1.00 42.02 ATOM 358 CD1 PHE 23 5.099 -38.255 -8.265 1.00 3.12 ATOM 359 HD1 PHE 23 4.404 -38.268 -9.093 1.00 54.44 ATOM 360 CD2 PHE 23 5.973 -39.253 -6.282 1.00 2.05 ATOM 361 HD2 PHE 23 5.964 -40.049 -5.549 1.00 23.43 ATOM 362 CE1 PHE 23 6.000 -37.216 -8.145 1.00 54.13 ATOM 363 HE1 PHE 23 6.009 -36.420 -8.875 1.00 63.31 ATOM 364 CE2 PHE 23 6.877 -38.217 -6.159 1.00 32.03 ATOM 365 HE2 PHE 23 7.573 -38.203 -5.333 1.00 64.33 ATOM 366 CZ PHE 23 6.891 -37.196 -7.091 1.00 74.32 ATOM 367 HZ PHE 23 7.598 -36.385 -6.993 1.00 23.24 ATOM 368 C PHE 23 5.540 -42.311 -8.290 1.00 65.40 ATOM 369 O PHE 23 5.732 -42.696 -7.135 1.00 32.32 ATOM 370 N LYS 24 6.319 -42.672 -9.308 1.00 50.44 ATOM 371 HN LYS 24 6.127 -42.303 -10.196 1.00 38.34 ATOM 372 CA LYS 24 7.428 -43.632 -9.165 1.00 75.13 ATOM 373 HA LYS 24 7.049 -44.495 -8.636 1.00 52.00 ATOM 374 CB LYS 24 7.891 -44.074 -10.563 1.00 62.45 ATOM 375 HB1 LYS 24 8.316 -43.219 -11.072 1.00 38.34 ATOM 376 HB2 LYS 24 7.029 -44.412 -11.120 1.00 4.12 ATOM 377 CG LYS 24 8.929 -45.195 -10.565 1.00 43.14 ATOM 378 HG1 LYS 24 9.736 -44.925 -9.896 1.00 38.34 ATOM 379 HG2 LYS 24 9.320 -45.310 -11.567 1.00 71.10 ATOM 380 CD LYS 24 8.337 -46.531 -10.113 1.00 33.23 ATOM 381 HD1 LYS 24 7.912 -46.411 -9.127 1.00 38.34 ATOM 382 HD2 LYS 24 9.128 -47.267 -10.075 1.00 12.05 ATOM 383 CE LYS 24 7.251 -47.026 -11.066 1.00 45.21 ATOM 384 HE1 LYS 24 6.424 -46.331 -11.041 1.00 38.34 ATOM 385 HE2 LYS 24 6.913 -47.996 -10.735 1.00 65.42 ATOM 386 NZ LYS 24 7.741 -47.140 -12.468 1.00 21.10 ATOM 387 HZ1 LYS 24 7.935 -46.196 -12.861 1.00 20.11 ATOM 388 HZ2 LYS 24 7.025 -47.603 -13.062 1.00 72.25 ATOM 389 HZ3 LYS 24 8.618 -47.700 -12.498 1.00 55.31 ATOM 390 C LYS 24 8.625 -43.056 -8.377 1.00 3.12 ATOM 391 O LYS 24 9.432 -43.807 -7.823 1.00 22.11 ATOM 392 N GLN 25 8.724 -41.728 -8.312 1.00 51.24 ATOM 393 HN GLN 25 7.996 -41.184 -8.678 1.00 38.34 ATOM 394 CA GLN 25 9.889 -41.052 -7.710 1.00 74.34 ATOM 395 HA GLN 25 10.734 -41.230 -8.363 1.00 51.43 ATOM 396 CB GLN 25 9.636 -39.536 -7.641 1.00 23.52 ATOM 397 HB1 GLN 25 8.713 -39.368 -7.105 1.00 38.34 ATOM 398 HB2 GLN 25 9.524 -39.158 -8.648 1.00 1.04 ATOM 399 CG GLN 25 10.741 -38.736 -6.950 1.00 43.25 ATOM 400 HG1 GLN 25 10.880 -39.131 -5.953 1.00 38.34 ATOM 401 HG2 GLN 25 10.430 -37.703 -6.881 1.00 4.21 ATOM 402 CD GLN 25 12.071 -38.789 -7.683 1.00 3.13 ATOM 403 OE1 GLN 25 12.358 -37.963 -8.545 1.00 64.23 ATOM 404 NE2 GLN 25 12.896 -39.755 -7.339 1.00 24.42 ATOM 405 HE21 GLN 25 12.614 -40.379 -6.638 1.00 32.44 ATOM 406 HE22 GLN 25 13.760 -39.810 -7.798 1.00 53.44 ATOM 407 C GLN 25 10.238 -41.590 -6.306 1.00 33.02 ATOM 408 O GLN 25 11.407 -41.835 -6.008 1.00 24.11 ATOM 409 N LEU 26 9.229 -41.774 -5.452 1.00 4.13 ATOM 410 HN LEU 26 8.314 -41.588 -5.749 1.00 38.34 ATOM 411 CA LEU 26 9.459 -42.253 -4.077 1.00 64.32 ATOM 412 HA LEU 26 10.150 -41.566 -3.610 1.00 33.31 ATOM 413 CB LEU 26 8.150 -42.251 -3.273 1.00 55.15 ATOM 414 HB1 LEU 26 8.321 -42.777 -2.343 1.00 38.34 ATOM 415 HB2 LEU 26 7.404 -42.794 -3.839 1.00 1.53 ATOM 416 CG LEU 26 7.581 -40.862 -2.937 1.00 51.35 ATOM 417 HG LEU 26 7.345 -40.347 -3.859 1.00 31.11 ATOM 418 CD1 LEU 26 6.291 -40.989 -2.131 1.00 31.14 ATOM 419 HD11 LEU 26 6.489 -41.507 -1.203 1.00 23.04 ATOM 420 HD12 LEU 26 5.561 -41.544 -2.704 1.00 74.22 ATOM 421 HD13 LEU 26 5.902 -40.005 -1.917 1.00 53.53 ATOM 422 CD2 LEU 26 8.609 -40.023 -2.179 1.00 2.01 ATOM 423 HD21 LEU 26 8.885 -40.527 -1.262 1.00 74.04 ATOM 424 HD22 LEU 26 8.185 -39.057 -1.944 1.00 3.41 ATOM 425 HD23 LEU 26 9.488 -39.888 -2.793 1.00 72.31 ATOM 426 C LEU 26 10.082 -43.660 -4.048 1.00 44.23 ATOM 427 O LEU 26 10.870 -43.985 -3.158 1.00 65.54 ATOM 428 N TYR 27 9.724 -44.491 -5.019 1.00 1.02 ATOM 429 HN TYR 27 9.105 -44.175 -5.711 1.00 38.34 ATOM 430 CA TYR 27 10.234 -45.864 -5.091 1.00 40.21 ATOM 431 HA TYR 27 10.108 -46.321 -4.118 1.00 43.22 ATOM 432 CB TYR 27 9.431 -46.664 -6.126 1.00 10.24 ATOM 433 HB1 TYR 27 9.826 -47.670 -6.176 1.00 38.34 ATOM 434 HB2 TYR 27 9.538 -46.194 -7.094 1.00 11.25 ATOM 435 CG TYR 27 7.946 -46.758 -5.817 1.00 61.04 ATOM 436 CD1 TYR 27 7.426 -47.865 -5.162 1.00 20.24 ATOM 437 HD1 TYR 27 8.091 -48.656 -4.868 1.00 2.15 ATOM 438 CD2 TYR 27 7.067 -45.745 -6.184 1.00 10.42 ATOM 439 HD2 TYR 27 7.452 -44.874 -6.694 1.00 74.24 ATOM 440 CE1 TYR 27 6.083 -47.967 -4.880 1.00 12.22 ATOM 441 HE1 TYR 27 5.709 -48.843 -4.370 1.00 61.43 ATOM 442 CE2 TYR 27 5.718 -45.837 -5.905 1.00 31.01 ATOM 443 HE2 TYR 27 5.049 -45.040 -6.200 1.00 53.53 ATOM 444 CZ TYR 27 5.230 -46.951 -5.253 1.00 73.44 ATOM 445 OH TYR 27 3.884 -47.047 -4.976 1.00 75.23 ATOM 446 HH TYR 27 3.764 -47.401 -4.088 1.00 4.42 ATOM 447 C TYR 27 11.726 -45.888 -5.463 1.00 51.10 ATOM 448 O TYR 27 12.529 -46.593 -4.845 1.00 62.22 ATOM 449 N GLU 28 12.087 -45.089 -6.462 1.00 22.12 ATOM 450 HN GLU 28 11.419 -44.479 -6.845 1.00 38.34 ATOM 451 CA GLU 28 13.447 -45.090 -7.017 1.00 23.40 ATOM 452 HA GLU 28 13.906 -46.036 -6.762 1.00 52.03 ATOM 453 CB GLU 28 13.371 -44.981 -8.550 1.00 72.51 ATOM 454 HB1 GLU 28 14.371 -45.038 -8.956 1.00 38.34 ATOM 455 HB2 GLU 28 12.941 -44.023 -8.812 1.00 62.13 ATOM 456 CG GLU 28 12.526 -46.081 -9.195 1.00 13.10 ATOM 457 HG1 GLU 28 11.504 -45.973 -8.856 1.00 38.34 ATOM 458 HG2 GLU 28 12.904 -47.042 -8.874 1.00 15.43 ATOM 459 CD GLU 28 12.538 -46.039 -10.719 1.00 3.42 ATOM 460 OE1 GLU 28 12.391 -44.939 -11.293 1.00 11.05 ATOM 461 OE2 GLU 28 12.677 -47.113 -11.352 1.00 64.41 ATOM 462 C GLU 28 14.316 -43.956 -6.433 1.00 11.50 ATOM 463 O GLU 28 15.193 -43.420 -7.114 1.00 31.05 ATOM 464 N LEU 29 14.079 -43.599 -5.165 1.00 23.41 ATOM 465 HN LEU 29 13.337 -44.023 -4.683 1.00 38.34 ATOM 466 CA LEU 29 14.886 -42.569 -4.487 1.00 22.41 ATOM 467 HA LEU 29 14.812 -41.660 -5.066 1.00 31.41 ATOM 468 CB LEU 29 14.342 -42.300 -3.073 1.00 1.23 ATOM 469 HB1 LEU 29 15.046 -41.664 -2.552 1.00 38.34 ATOM 470 HB2 LEU 29 14.287 -43.245 -2.550 1.00 23.40 ATOM 471 CG LEU 29 12.960 -41.633 -3.007 1.00 62.21 ATOM 472 HG LEU 29 12.250 -42.243 -3.549 1.00 51.22 ATOM 473 CD1 LEU 29 12.480 -41.537 -1.559 1.00 14.53 ATOM 474 HD11 LEU 29 11.505 -41.070 -1.531 1.00 61.10 ATOM 475 HD12 LEU 29 13.177 -40.946 -0.982 1.00 65.44 ATOM 476 HD13 LEU 29 12.413 -42.529 -1.136 1.00 33.03 ATOM 477 CD2 LEU 29 12.992 -40.253 -3.664 1.00 22.44 ATOM 478 HD21 LEU 29 13.297 -40.353 -4.696 1.00 5.33 ATOM 479 HD22 LEU 29 13.692 -39.617 -3.141 1.00 74.14 ATOM 480 HD23 LEU 29 12.006 -39.812 -3.624 1.00 64.55 ATOM 481 C LEU 29 16.372 -42.971 -4.394 1.00 51.42 ATOM 482 O LEU 29 17.254 -42.221 -4.814 1.00 43.34 ATOM 483 N ASP 30 16.645 -44.158 -3.849 1.00 14.11 ATOM 484 HN ASP 30 15.910 -44.715 -3.534 1.00 38.34 ATOM 485 CA ASP 30 18.030 -44.634 -3.703 1.00 45.52 ATOM 486 HA ASP 30 18.687 -43.858 -4.075 1.00 35.24 ATOM 487 CB ASP 30 18.350 -44.880 -2.226 1.00 54.50 ATOM 488 HB1 ASP 30 17.752 -45.706 -1.865 1.00 38.34 ATOM 489 HB2 ASP 30 18.105 -43.993 -1.658 1.00 71.42 ATOM 490 CG ASP 30 19.816 -45.210 -2.000 1.00 3.14 ATOM 491 OD1 ASP 30 20.188 -46.396 -2.089 1.00 24.23 ATOM 492 OD2 ASP 30 20.611 -44.280 -1.748 1.00 73.50 ATOM 493 C ASP 30 18.283 -45.915 -4.517 1.00 60.50 ATOM 494 O ASP 30 19.348 -46.076 -5.118 1.00 71.21 ATOM 495 N GLY 31 17.301 -46.820 -4.536 1.00 41.21 ATOM 496 HN GLY 31 16.494 -46.658 -4.010 1.00 38.34 ATOM 497 CA GLY 31 17.418 -48.040 -5.338 1.00 10.31 ATOM 498 HA1 GLY 31 18.377 -48.037 -5.840 1.00 38.34 ATOM 499 HA2 GLY 31 16.643 -48.024 -6.089 1.00 30.34 ATOM 500 C GLY 31 17.288 -49.342 -4.545 1.00 52.42 ATOM 501 O GLY 31 17.382 -50.428 -5.126 1.00 61.42 ATOM 502 N ASP 32 17.076 -49.253 -3.228 1.00 53.25 ATOM 503 HN ASP 32 17.056 -48.369 -2.805 1.00 38.34 ATOM 504 CA ASP 32 16.905 -50.450 -2.389 1.00 44.41 ATOM 505 HA ASP 32 17.799 -51.051 -2.480 1.00 32.44 ATOM 506 CB ASP 32 16.709 -50.063 -0.917 1.00 23.40 ATOM 507 HB1 ASP 32 16.778 -50.954 -0.308 1.00 38.34 ATOM 508 HB2 ASP 32 15.727 -49.632 -0.792 1.00 43.44 ATOM 509 CG ASP 32 17.733 -49.063 -0.427 1.00 70.12 ATOM 510 OD1 ASP 32 18.629 -49.451 0.347 1.00 40.15 ATOM 511 OD2 ASP 32 17.635 -47.881 -0.813 1.00 12.21 ATOM 512 C ASP 32 15.689 -51.281 -2.841 1.00 65.53 ATOM 513 O ASP 32 14.579 -50.751 -2.956 1.00 32.42 ATOM 514 N PRO 33 15.868 -52.596 -3.078 1.00 20.44 ATOM 515 CA PRO 33 14.755 -53.495 -3.434 1.00 34.35 ATOM 516 HA PRO 33 14.323 -53.222 -4.388 1.00 40.23 ATOM 517 CB PRO 33 15.424 -54.881 -3.545 1.00 12.04 ATOM 518 HB1 PRO 33 15.575 -55.130 -4.587 1.00 38.34 ATOM 519 HB2 PRO 33 14.797 -55.631 -3.082 1.00 40.11 ATOM 520 CG PRO 33 16.727 -54.739 -2.830 1.00 24.43 ATOM 521 HG1 PRO 33 17.457 -55.414 -3.254 1.00 38.34 ATOM 522 HG2 PRO 33 16.592 -54.946 -1.776 1.00 55.12 ATOM 523 CD PRO 33 17.153 -53.312 -3.031 1.00 40.21 ATOM 524 HD1 PRO 33 17.690 -53.201 -3.964 1.00 38.34 ATOM 525 HD2 PRO 33 17.759 -52.974 -2.202 1.00 2.43 ATOM 526 C PRO 33 13.649 -53.501 -2.363 1.00 0.12 ATOM 527 O PRO 33 12.479 -53.740 -2.661 1.00 45.12 ATOM 528 N LYS 34 14.030 -53.216 -1.117 1.00 72.15 ATOM 529 HN LYS 34 14.979 -53.049 -0.939 1.00 38.34 ATOM 530 CA LYS 34 13.074 -53.163 -0.003 1.00 54.31 ATOM 531 HA LYS 34 12.283 -53.868 -0.217 1.00 71.21 ATOM 532 CB LYS 34 13.759 -53.582 1.308 1.00 34.20 ATOM 533 HB1 LYS 34 13.051 -53.479 2.120 1.00 38.34 ATOM 534 HB2 LYS 34 14.595 -52.921 1.490 1.00 23.24 ATOM 535 CG LYS 34 14.279 -55.020 1.306 1.00 45.54 ATOM 536 HG1 LYS 34 14.745 -55.224 2.261 1.00 38.34 ATOM 537 HG2 LYS 34 15.014 -55.124 0.520 1.00 2.24 ATOM 538 CD LYS 34 13.163 -56.039 1.071 1.00 15.21 ATOM 539 HD1 LYS 34 13.600 -57.028 1.028 1.00 38.34 ATOM 540 HD2 LYS 34 12.682 -55.820 0.128 1.00 35.52 ATOM 541 CE LYS 34 12.109 -56.012 2.178 1.00 31.43 ATOM 542 HE1 LYS 34 11.306 -56.683 1.910 1.00 38.34 ATOM 543 HE2 LYS 34 11.720 -55.008 2.264 1.00 43.25 ATOM 544 NZ LYS 34 12.666 -56.425 3.493 1.00 50.01 ATOM 545 HZ1 LYS 34 11.925 -56.386 4.224 1.00 32.22 ATOM 546 HZ2 LYS 34 13.441 -55.793 3.773 1.00 51.40 ATOM 547 HZ3 LYS 34 13.030 -57.395 3.439 1.00 45.24 ATOM 548 C LYS 34 12.446 -51.766 0.163 1.00 31.24 ATOM 549 O LYS 34 11.435 -51.619 0.846 1.00 53.44 ATOM 550 N ARG 35 13.033 -50.740 -0.466 1.00 72.11 ATOM 551 HN ARG 35 13.822 -50.906 -1.022 1.00 38.34 ATOM 552 CA ARG 35 12.507 -49.371 -0.343 1.00 64.02 ATOM 553 HA ARG 35 12.391 -49.164 0.712 1.00 52.13 ATOM 554 CB ARG 35 13.485 -48.342 -0.937 1.00 62.35 ATOM 555 HB1 ARG 35 13.572 -48.513 -2.001 1.00 38.34 ATOM 556 HB2 ARG 35 14.452 -48.482 -0.480 1.00 53.44 ATOM 557 CG ARG 35 13.064 -46.890 -0.717 1.00 23.21 ATOM 558 HG1 ARG 35 12.879 -46.735 0.339 1.00 38.34 ATOM 559 HG2 ARG 35 12.155 -46.703 -1.271 1.00 22.01 ATOM 560 CD ARG 35 14.136 -45.904 -1.182 1.00 21.45 ATOM 561 HD1 ARG 35 13.813 -44.901 -0.939 1.00 38.34 ATOM 562 HD2 ARG 35 14.246 -45.996 -2.253 1.00 63.20 ATOM 563 NE ARG 35 15.436 -46.157 -0.554 1.00 13.44 ATOM 564 HE ARG 35 15.928 -46.954 -0.841 1.00 54.01 ATOM 565 CZ ARG 35 15.994 -45.395 0.355 1.00 33.20 ATOM 566 NH1 ARG 35 15.400 -44.327 0.789 1.00 20.25 ATOM 567 HH11 ARG 35 14.510 -44.075 0.433 1.00 20.45 ATOM 568 HH12 ARG 35 15.839 -43.766 1.493 1.00 55.31 ATOM 569 NH2 ARG 35 17.156 -45.712 0.823 1.00 63.21 ATOM 570 HH21 ARG 35 17.621 -46.534 0.486 1.00 74.13 ATOM 571 HH22 ARG 35 17.590 -45.140 1.521 1.00 30.21 ATOM 572 C ARG 35 11.132 -49.249 -1.017 1.00 15.01 ATOM 573 O ARG 35 10.193 -48.697 -0.444 1.00 22.51 ATOM 574 N LYS 36 11.019 -49.777 -2.234 1.00 5.34 ATOM 575 HN LYS 36 11.809 -50.153 -2.662 1.00 38.34 ATOM 576 CA LYS 36 9.737 -49.789 -2.946 1.00 4.23 ATOM 577 HA LYS 36 9.339 -48.784 -2.900 1.00 30.10 ATOM 578 CB LYS 36 9.910 -50.179 -4.432 1.00 1.01 ATOM 579 HB1 LYS 36 10.547 -49.444 -4.907 1.00 38.34 ATOM 580 HB2 LYS 36 8.941 -50.147 -4.905 1.00 65.34 ATOM 581 CG LYS 36 10.502 -51.565 -4.692 1.00 54.00 ATOM 582 HG1 LYS 36 10.075 -51.954 -5.606 1.00 38.34 ATOM 583 HG2 LYS 36 10.238 -52.217 -3.872 1.00 22.05 ATOM 584 CD LYS 36 12.026 -51.540 -4.826 1.00 75.04 ATOM 585 HD1 LYS 36 12.382 -52.559 -4.891 1.00 38.34 ATOM 586 HD2 LYS 36 12.449 -51.073 -3.952 1.00 13.44 ATOM 587 CE LYS 36 12.495 -50.777 -6.063 1.00 54.23 ATOM 588 HE1 LYS 36 13.571 -50.672 -6.017 1.00 38.34 ATOM 589 HE2 LYS 36 12.041 -49.796 -6.063 1.00 2.14 ATOM 590 NZ LYS 36 12.132 -51.474 -7.327 1.00 33.22 ATOM 591 HZ1 LYS 36 12.371 -52.484 -7.262 1.00 73.02 ATOM 592 HZ2 LYS 36 12.654 -51.060 -8.125 1.00 14.14 ATOM 593 HZ3 LYS 36 11.113 -51.381 -7.515 1.00 44.11 ATOM 594 C LYS 36 8.730 -50.730 -2.262 1.00 70.44 ATOM 595 O LYS 36 7.537 -50.432 -2.197 1.00 54.32 ATOM 596 N GLU 37 9.221 -51.859 -1.741 1.00 43.00 ATOM 597 HN GLU 37 10.173 -52.057 -1.847 1.00 38.34 ATOM 598 CA GLU 37 8.368 -52.811 -1.018 1.00 31.05 ATOM 599 HA GLU 37 7.545 -53.068 -1.670 1.00 11.24 ATOM 600 CB GLU 37 9.141 -54.093 -0.676 1.00 4.25 ATOM 601 HB1 GLU 37 8.539 -54.695 -0.009 1.00 38.34 ATOM 602 HB2 GLU 37 10.057 -53.822 -0.170 1.00 64.04 ATOM 603 CG GLU 37 9.499 -54.943 -1.893 1.00 71.02 ATOM 604 HG1 GLU 37 10.247 -54.418 -2.472 1.00 38.34 ATOM 605 HG2 GLU 37 8.612 -55.079 -2.496 1.00 24.30 ATOM 606 CD GLU 37 10.044 -56.316 -1.517 1.00 12.45 ATOM 607 OE1 GLU 37 11.243 -56.579 -1.748 1.00 74.11 ATOM 608 OE2 GLU 37 9.267 -57.143 -0.989 1.00 5.33 ATOM 609 C GLU 37 7.793 -52.193 0.264 1.00 51.52 ATOM 610 O GLU 37 6.632 -52.421 0.603 1.00 3.45 ATOM 611 N PHE 38 8.611 -51.420 0.978 1.00 55.02 ATOM 612 HN PHE 38 9.551 -51.344 0.712 1.00 38.34 ATOM 613 CA PHE 38 8.143 -50.694 2.164 1.00 12.55 ATOM 614 HA PHE 38 7.791 -51.425 2.879 1.00 24.23 ATOM 615 CB PHE 38 9.292 -49.892 2.795 1.00 34.53 ATOM 616 HB1 PHE 38 9.712 -49.233 2.049 1.00 38.34 ATOM 617 HB2 PHE 38 10.059 -50.579 3.127 1.00 11.20 ATOM 618 CG PHE 38 8.873 -49.051 3.984 1.00 63.51 ATOM 619 CD1 PHE 38 8.417 -47.750 3.807 1.00 12.20 ATOM 620 HD1 PHE 38 8.364 -47.338 2.809 1.00 24.33 ATOM 621 CD2 PHE 38 8.933 -49.561 5.274 1.00 71.35 ATOM 622 HD2 PHE 38 9.288 -50.570 5.430 1.00 62.03 ATOM 623 CE1 PHE 38 8.029 -46.980 4.885 1.00 60.40 ATOM 624 HE1 PHE 38 7.677 -45.971 4.731 1.00 42.11 ATOM 625 CE2 PHE 38 8.548 -48.792 6.356 1.00 71.22 ATOM 626 HE2 PHE 38 8.600 -49.200 7.356 1.00 15.30 ATOM 627 CZ PHE 38 8.095 -47.501 6.160 1.00 21.33 ATOM 628 HZ PHE 38 7.791 -46.899 7.006 1.00 64.14 ATOM 629 C PHE 38 6.984 -49.755 1.804 1.00 0.30 ATOM 630 O PHE 38 5.954 -49.741 2.474 1.00 4.25 ATOM 631 N LEU 39 7.163 -48.973 0.740 1.00 51.14 ATOM 632 HN LEU 39 8.017 -49.015 0.257 1.00 38.34 ATOM 633 CA LEU 39 6.125 -48.048 0.274 1.00 35.34 ATOM 634 HA LEU 39 5.875 -47.394 1.098 1.00 14.41 ATOM 635 CB LEU 39 6.662 -47.198 -0.884 1.00 54.52 ATOM 636 HB1 LEU 39 5.858 -46.576 -1.252 1.00 38.34 ATOM 637 HB2 LEU 39 6.969 -47.864 -1.679 1.00 73.02 ATOM 638 CG LEU 39 7.850 -46.286 -0.530 1.00 52.43 ATOM 639 HG LEU 39 8.652 -46.889 -0.126 1.00 43.14 ATOM 640 CD1 LEU 39 8.375 -45.585 -1.776 1.00 22.43 ATOM 641 HD11 LEU 39 7.597 -44.965 -2.198 1.00 21.41 ATOM 642 HD12 LEU 39 8.682 -46.322 -2.504 1.00 14.03 ATOM 643 HD13 LEU 39 9.223 -44.968 -1.513 1.00 21.52 ATOM 644 CD2 LEU 39 7.447 -45.262 0.533 1.00 60.41 ATOM 645 HD21 LEU 39 6.626 -44.663 0.165 1.00 65.32 ATOM 646 HD22 LEU 39 8.288 -44.620 0.756 1.00 73.12 ATOM 647 HD23 LEU 39 7.141 -45.776 1.433 1.00 12.05 ATOM 648 C LEU 39 4.854 -48.799 -0.159 1.00 44.42 ATOM 649 O LEU 39 3.743 -48.407 0.194 1.00 10.42 ATOM 650 N ASP 40 5.029 -49.882 -0.914 1.00 2.32 ATOM 651 HN ASP 40 5.937 -50.121 -1.198 1.00 38.34 ATOM 652 CA ASP 40 3.907 -50.728 -1.338 1.00 61.13 ATOM 653 HA ASP 40 3.250 -50.129 -1.954 1.00 70.24 ATOM 654 CB ASP 40 4.432 -51.910 -2.163 1.00 61.25 ATOM 655 HB1 ASP 40 5.082 -52.514 -1.544 1.00 38.34 ATOM 656 HB2 ASP 40 5.000 -51.530 -3.002 1.00 23.41 ATOM 657 CG ASP 40 3.316 -52.794 -2.699 1.00 15.51 ATOM 658 OD1 ASP 40 2.866 -53.703 -1.974 1.00 15.11 ATOM 659 OD2 ASP 40 2.887 -52.583 -3.856 1.00 31.13 ATOM 660 C ASP 40 3.120 -51.245 -0.120 1.00 14.32 ATOM 661 O ASP 40 1.895 -51.120 -0.049 1.00 55.13 ATOM 662 N ASP 41 3.845 -51.817 0.838 1.00 22.04 ATOM 663 HN ASP 41 4.817 -51.884 0.716 1.00 38.34 ATOM 664 CA ASP 41 3.248 -52.352 2.062 1.00 11.21 ATOM 665 HA ASP 41 2.482 -53.059 1.774 1.00 11.40 ATOM 666 CB ASP 41 4.326 -53.087 2.866 1.00 10.02 ATOM 667 HB1 ASP 41 5.023 -52.363 3.267 1.00 38.34 ATOM 668 HB2 ASP 41 4.859 -53.761 2.209 1.00 42.25 ATOM 669 CG ASP 41 3.754 -53.895 4.011 1.00 41.42 ATOM 670 OD1 ASP 41 4.075 -53.595 5.180 1.00 33.21 ATOM 671 OD2 ASP 41 2.987 -54.844 3.743 1.00 41.11 ATOM 672 C ASP 41 2.603 -51.230 2.903 1.00 74.10 ATOM 673 O ASP 41 1.533 -51.408 3.484 1.00 13.32 ATOM 674 N LEU 42 3.266 -50.077 2.946 1.00 12.15 ATOM 675 HN LEU 42 4.137 -50.022 2.502 1.00 38.34 ATOM 676 CA LEU 42 2.748 -48.887 3.634 1.00 65.15 ATOM 677 HA LEU 42 2.630 -49.127 4.682 1.00 51.25 ATOM 678 CB LEU 42 3.756 -47.735 3.495 1.00 41.34 ATOM 679 HB1 LEU 42 3.996 -47.625 2.446 1.00 38.34 ATOM 680 HB2 LEU 42 4.659 -48.012 4.022 1.00 31.44 ATOM 681 CG LEU 42 3.292 -46.366 4.024 1.00 52.12 ATOM 682 HG LEU 42 2.331 -46.131 3.586 1.00 12.21 ATOM 683 CD1 LEU 42 3.116 -46.396 5.542 1.00 60.11 ATOM 684 HD11 LEU 42 2.800 -45.422 5.888 1.00 4.45 ATOM 685 HD12 LEU 42 4.055 -46.655 6.011 1.00 12.43 ATOM 686 HD13 LEU 42 2.369 -47.131 5.806 1.00 24.14 ATOM 687 CD2 LEU 42 4.276 -45.274 3.606 1.00 44.33 ATOM 688 HD21 LEU 42 3.943 -44.319 3.989 1.00 2.11 ATOM 689 HD22 LEU 42 4.328 -45.228 2.527 1.00 32.04 ATOM 690 HD23 LEU 42 5.255 -45.498 4.003 1.00 50.21 ATOM 691 C LEU 42 1.388 -48.457 3.060 1.00 45.20 ATOM 692 O LEU 42 0.386 -48.389 3.779 1.00 14.44 ATOM 693 N PHE 43 1.363 -48.177 1.754 1.00 34.41 ATOM 694 HN PHE 43 2.190 -48.263 1.235 1.00 38.34 ATOM 695 CA PHE 43 0.138 -47.741 1.075 1.00 44.12 ATOM 696 HA PHE 43 -0.202 -46.840 1.564 1.00 23.24 ATOM 697 CB PHE 43 0.416 -47.424 -0.404 1.00 72.11 ATOM 698 HB1 PHE 43 -0.492 -47.050 -0.859 1.00 38.34 ATOM 699 HB2 PHE 43 0.712 -48.335 -0.909 1.00 22.00 ATOM 700 CG PHE 43 1.502 -46.392 -0.622 1.00 60.45 ATOM 701 CD1 PHE 43 1.685 -45.344 0.274 1.00 65.12 ATOM 702 HD1 PHE 43 1.044 -45.268 1.142 1.00 64.43 ATOM 703 CD2 PHE 43 2.338 -46.468 -1.728 1.00 64.23 ATOM 704 HD2 PHE 43 2.210 -47.276 -2.433 1.00 23.10 ATOM 705 CE1 PHE 43 2.677 -44.402 0.068 1.00 51.03 ATOM 706 HE1 PHE 43 2.809 -43.592 0.772 1.00 45.13 ATOM 707 CE2 PHE 43 3.329 -45.528 -1.934 1.00 23.32 ATOM 708 HE2 PHE 43 3.972 -45.603 -2.799 1.00 2.55 ATOM 709 CZ PHE 43 3.498 -44.495 -1.036 1.00 22.12 ATOM 710 HZ PHE 43 4.273 -43.760 -1.197 1.00 1.04 ATOM 711 C PHE 43 -0.964 -48.802 1.190 1.00 42.42 ATOM 712 O PHE 43 -2.125 -48.479 1.438 1.00 75.32 ATOM 713 N SER 44 -0.585 -50.069 1.015 1.00 23.41 ATOM 714 HN SER 44 0.346 -50.253 0.765 1.00 38.34 ATOM 715 CA SER 44 -1.516 -51.197 1.181 1.00 63.54 ATOM 716 HA SER 44 -2.294 -51.097 0.438 1.00 72.40 ATOM 717 CB SER 44 -0.780 -52.530 0.959 1.00 21.33 ATOM 718 HB1 SER 44 0.115 -52.549 1.565 1.00 38.34 ATOM 719 HB2 SER 44 -0.507 -52.618 -0.082 1.00 54.21 ATOM 720 OG SER 44 -1.591 -53.645 1.310 1.00 72.33 ATOM 721 HG SER 44 -1.135 -54.166 1.989 1.00 20.14 ATOM 722 C SER 44 -2.156 -51.194 2.576 1.00 3.52 ATOM 723 O SER 44 -3.381 -51.248 2.713 1.00 32.41 ATOM 724 N PHE 45 -1.316 -51.108 3.605 1.00 22.12 ATOM 725 HN PHE 45 -0.354 -51.025 3.425 1.00 38.34 ATOM 726 CA PHE 45 -1.775 -51.132 4.996 1.00 62.00 ATOM 727 HA PHE 45 -2.277 -52.076 5.160 1.00 62.42 ATOM 728 CB PHE 45 -0.567 -51.044 5.940 1.00 61.14 ATOM 729 HB1 PHE 45 0.006 -50.159 5.698 1.00 38.34 ATOM 730 HB2 PHE 45 0.055 -51.916 5.799 1.00 1.34 ATOM 731 CG PHE 45 -0.944 -50.975 7.397 1.00 63.31 ATOM 732 CD1 PHE 45 -1.398 -52.104 8.061 1.00 72.41 ATOM 733 HD1 PHE 45 -1.475 -53.040 7.528 1.00 74.35 ATOM 734 CD2 PHE 45 -0.852 -49.781 8.100 1.00 11.01 ATOM 735 HD2 PHE 45 -0.499 -48.893 7.595 1.00 22.25 ATOM 736 CE1 PHE 45 -1.753 -52.043 9.392 1.00 24.14 ATOM 737 HE1 PHE 45 -2.106 -52.930 9.899 1.00 1.11 ATOM 738 CE2 PHE 45 -1.205 -49.718 9.433 1.00 43.52 ATOM 739 HE2 PHE 45 -1.130 -48.783 9.969 1.00 30.23 ATOM 740 CZ PHE 45 -1.656 -50.850 10.078 1.00 63.23 ATOM 741 HZ PHE 45 -1.935 -50.803 11.121 1.00 65.11 ATOM 742 C PHE 45 -2.761 -49.989 5.294 1.00 71.23 ATOM 743 O PHE 45 -3.874 -50.219 5.778 1.00 23.31 ATOM 744 N MET 46 -2.354 -48.756 5.001 1.00 24.42 ATOM 745 HN MET 46 -1.470 -48.627 4.590 1.00 38.34 ATOM 746 CA MET 46 -3.196 -47.592 5.282 1.00 10.23 ATOM 747 HA MET 46 -3.510 -47.670 6.316 1.00 72.45 ATOM 748 CB MET 46 -2.394 -46.292 5.120 1.00 31.31 ATOM 749 HB1 MET 46 -1.573 -46.298 5.827 1.00 38.34 ATOM 750 HB2 MET 46 -3.039 -45.459 5.352 1.00 61.22 ATOM 751 CG MET 46 -1.820 -46.070 3.729 1.00 12.11 ATOM 752 HG1 MET 46 -2.634 -46.012 3.019 1.00 38.34 ATOM 753 HG2 MET 46 -1.183 -46.905 3.476 1.00 32.34 ATOM 754 SD MET 46 -0.854 -44.554 3.624 1.00 22.41 ATOM 755 CE MET 46 -2.049 -43.360 4.219 1.00 52.23 ATOM 756 HE1 MET 46 -2.888 -43.319 3.540 1.00 2.11 ATOM 757 HE2 MET 46 -1.587 -42.388 4.279 1.00 35.32 ATOM 758 HE3 MET 46 -2.394 -43.653 5.199 1.00 53.24 ATOM 759 C MET 46 -4.461 -47.576 4.400 1.00 33.34 ATOM 760 O MET 46 -5.534 -47.165 4.850 1.00 23.40 ATOM 761 N GLN 47 -4.344 -48.041 3.152 1.00 12.04 ATOM 762 HN GLN 47 -3.459 -48.317 2.824 1.00 38.34 ATOM 763 CA GLN 47 -5.506 -48.149 2.259 1.00 61.53 ATOM 764 HA GLN 47 -5.934 -47.160 2.159 1.00 33.15 ATOM 765 CB GLN 47 -5.080 -48.646 0.869 1.00 32.12 ATOM 766 HB1 GLN 47 -4.524 -49.566 0.983 1.00 38.34 ATOM 767 HB2 GLN 47 -4.435 -47.904 0.418 1.00 42.23 ATOM 768 CG GLN 47 -6.247 -48.906 -0.081 1.00 71.44 ATOM 769 HG1 GLN 47 -6.861 -48.018 -0.126 1.00 38.34 ATOM 770 HG2 GLN 47 -6.834 -49.726 0.308 1.00 11.40 ATOM 771 CD GLN 47 -5.808 -49.266 -1.492 1.00 75.05 ATOM 772 OE1 GLN 47 -4.740 -49.831 -1.705 1.00 22.43 ATOM 773 NE2 GLN 47 -6.633 -48.945 -2.469 1.00 50.03 ATOM 774 HE21 GLN 47 -7.479 -48.504 -2.235 1.00 4.42 ATOM 775 HE22 GLN 47 -6.363 -49.151 -3.388 1.00 51.25 ATOM 776 C GLN 47 -6.568 -49.086 2.852 1.00 61.22 ATOM 777 O GLN 47 -7.759 -48.762 2.874 1.00 70.01 ATOM 778 N LYS 48 -6.122 -50.241 3.345 1.00 73.24 ATOM 779 HN LYS 48 -5.164 -50.448 3.276 1.00 38.34 ATOM 780 CA LYS 48 -7.014 -51.219 3.982 1.00 60.22 ATOM 781 HA LYS 48 -7.705 -51.570 3.228 1.00 51.42 ATOM 782 CB LYS 48 -6.203 -52.413 4.503 1.00 52.22 ATOM 783 HB1 LYS 48 -6.833 -53.006 5.152 1.00 38.34 ATOM 784 HB2 LYS 48 -5.365 -52.039 5.076 1.00 31.44 ATOM 785 CG LYS 48 -5.662 -53.320 3.404 1.00 43.51 ATOM 786 HG1 LYS 48 -5.102 -52.719 2.698 1.00 38.34 ATOM 787 HG2 LYS 48 -6.494 -53.789 2.899 1.00 51.52 ATOM 788 CD LYS 48 -4.750 -54.407 3.968 1.00 32.03 ATOM 789 HD1 LYS 48 -5.270 -54.922 4.766 1.00 38.34 ATOM 790 HD2 LYS 48 -3.855 -53.946 4.361 1.00 23.24 ATOM 791 CE LYS 48 -4.351 -55.420 2.902 1.00 64.34 ATOM 792 HE1 LYS 48 -3.640 -56.113 3.328 1.00 38.34 ATOM 793 HE2 LYS 48 -3.892 -54.897 2.074 1.00 42.33 ATOM 794 NZ LYS 48 -5.525 -56.185 2.398 1.00 20.24 ATOM 795 HZ1 LYS 48 -6.022 -56.643 3.190 1.00 33.54 ATOM 796 HZ2 LYS 48 -5.214 -56.921 1.732 1.00 31.44 ATOM 797 HZ3 LYS 48 -6.188 -55.550 1.908 1.00 43.41 ATOM 798 C LYS 48 -7.820 -50.600 5.135 1.00 2.22 ATOM 799 O LYS 48 -9.019 -50.848 5.267 1.00 24.34 ATOM 800 N ARG 49 -7.166 -49.783 5.958 1.00 51.22 ATOM 801 HN ARG 49 -6.219 -49.592 5.789 1.00 38.34 ATOM 802 CA ARG 49 -7.832 -49.180 7.122 1.00 40.40 ATOM 803 HA ARG 49 -8.576 -49.888 7.461 1.00 34.30 ATOM 804 CB ARG 49 -6.828 -48.962 8.263 1.00 55.15 ATOM 805 HB1 ARG 49 -6.390 -49.917 8.521 1.00 38.34 ATOM 806 HB2 ARG 49 -7.362 -48.585 9.125 1.00 42.52 ATOM 807 CG ARG 49 -5.699 -47.992 7.945 1.00 3.45 ATOM 808 HG1 ARG 49 -6.107 -46.995 7.853 1.00 38.34 ATOM 809 HG2 ARG 49 -5.239 -48.281 7.010 1.00 63.14 ATOM 810 CD ARG 49 -4.640 -47.997 9.042 1.00 64.11 ATOM 811 HD1 ARG 49 -3.917 -47.221 8.829 1.00 38.34 ATOM 812 HD2 ARG 49 -4.143 -48.958 9.042 1.00 23.41 ATOM 813 NE ARG 49 -5.219 -47.755 10.365 1.00 73.01 ATOM 814 HE ARG 49 -5.918 -47.075 10.432 1.00 2.54 ATOM 815 CZ ARG 49 -4.875 -48.396 11.456 1.00 42.53 ATOM 816 NH1 ARG 49 -3.957 -49.307 11.426 1.00 53.43 ATOM 817 HH11 ARG 49 -3.503 -49.524 10.572 1.00 52.12 ATOM 818 HH12 ARG 49 -3.716 -49.802 12.262 1.00 13.33 ATOM 819 NH2 ARG 49 -5.462 -48.121 12.575 1.00 32.44 ATOM 820 HH21 ARG 49 -6.178 -47.425 12.602 1.00 53.32 ATOM 821 HH22 ARG 49 -5.201 -48.600 13.412 1.00 52.10 ATOM 822 C ARG 49 -8.567 -47.870 6.769 1.00 44.42 ATOM 823 O ARG 49 -9.116 -47.204 7.648 1.00 41.35 ATOM 824 N GLY 50 -8.585 -47.509 5.483 1.00 20.21 ATOM 825 HN GLY 50 -8.028 -47.998 4.841 1.00 38.34 ATOM 826 CA GLY 50 -9.434 -46.406 5.024 1.00 52.40 ATOM 827 HA1 GLY 50 -10.167 -46.193 5.792 1.00 38.34 ATOM 828 HA2 GLY 50 -9.959 -46.733 4.140 1.00 5.34 ATOM 829 C GLY 50 -8.697 -45.108 4.685 1.00 63.23 ATOM 830 O GLY 50 -9.231 -44.017 4.900 1.00 62.02 ATOM 831 N THR 51 -7.483 -45.206 4.144 1.00 33.21 ATOM 832 HN THR 51 -7.066 -46.088 4.056 1.00 38.34 ATOM 833 CA THR 51 -6.750 -44.011 3.688 1.00 71.40 ATOM 834 HA THR 51 -7.460 -43.382 3.165 1.00 72.22 ATOM 835 CB THR 51 -6.180 -43.178 4.875 1.00 24.23 ATOM 836 HB THR 51 -7.014 -42.740 5.408 1.00 34.44 ATOM 837 OG1 THR 51 -5.343 -42.112 4.385 1.00 33.24 ATOM 838 HG1 THR 51 -4.646 -41.933 5.026 1.00 13.21 ATOM 839 CG2 THR 51 -5.393 -44.051 5.853 1.00 61.21 ATOM 840 HG21 THR 51 -4.559 -44.505 5.339 1.00 13.24 ATOM 841 HG22 THR 51 -6.038 -44.824 6.245 1.00 44.30 ATOM 842 HG23 THR 51 -5.025 -43.443 6.666 1.00 22.24 ATOM 843 C THR 51 -5.615 -44.361 2.708 1.00 61.31 ATOM 844 O THR 51 -4.526 -44.751 3.114 1.00 54.03 ATOM 845 N PRO 52 -5.871 -44.260 1.388 1.00 50.11 ATOM 846 CA PRO 52 -4.838 -44.446 0.360 1.00 34.21 ATOM 847 HA PRO 52 -4.120 -45.204 0.645 1.00 64.31 ATOM 848 CB PRO 52 -5.662 -44.936 -0.831 1.00 0.41 ATOM 849 HB1 PRO 52 -5.790 -46.007 -0.767 1.00 38.34 ATOM 850 HB2 PRO 52 -5.159 -44.684 -1.756 1.00 54.44 ATOM 851 CG PRO 52 -6.971 -44.221 -0.699 1.00 62.50 ATOM 852 HG1 PRO 52 -7.764 -44.834 -1.105 1.00 38.34 ATOM 853 HG2 PRO 52 -6.927 -43.275 -1.225 1.00 44.50 ATOM 854 CD PRO 52 -7.193 -43.987 0.783 1.00 10.31 ATOM 855 HD1 PRO 52 -7.938 -44.670 1.166 1.00 38.34 ATOM 856 HD2 PRO 52 -7.493 -42.963 0.964 1.00 32.31 ATOM 857 C PRO 52 -4.099 -43.135 0.017 1.00 74.20 ATOM 858 O PRO 52 -4.636 -42.042 0.204 1.00 54.11 ATOM 859 N VAL 53 -2.868 -43.246 -0.488 1.00 24.45 ATOM 860 HN VAL 53 -2.483 -44.137 -0.618 1.00 38.34 ATOM 861 CA VAL 53 -2.071 -42.062 -0.852 1.00 10.40 ATOM 862 HA VAL 53 -2.454 -41.219 -0.288 1.00 11.53 ATOM 863 CB VAL 53 -0.576 -42.247 -0.479 1.00 11.15 ATOM 864 HB VAL 53 -0.186 -43.084 -1.043 1.00 4.23 ATOM 865 CG1 VAL 53 0.239 -41.005 -0.850 1.00 24.05 ATOM 866 HG11 VAL 53 1.274 -41.158 -0.579 1.00 4.12 ATOM 867 HG12 VAL 53 -0.148 -40.147 -0.320 1.00 44.53 ATOM 868 HG13 VAL 53 0.169 -40.831 -1.915 1.00 62.44 ATOM 869 CG2 VAL 53 -0.431 -42.566 1.007 1.00 12.21 ATOM 870 HG21 VAL 53 -0.839 -41.756 1.593 1.00 34.55 ATOM 871 HG22 VAL 53 0.615 -42.692 1.249 1.00 12.33 ATOM 872 HG23 VAL 53 -0.963 -43.479 1.235 1.00 21.40 ATOM 873 C VAL 53 -2.183 -41.742 -2.352 1.00 22.15 ATOM 874 O VAL 53 -1.635 -42.453 -3.190 1.00 2.03 ATOM 875 N ASN 54 -2.927 -40.686 -2.679 1.00 2.44 ATOM 876 HN ASN 54 -3.401 -40.204 -1.968 1.00 38.34 ATOM 877 CA ASN 54 -3.061 -40.221 -4.070 1.00 65.04 ATOM 878 HA ASN 54 -2.759 -41.031 -4.721 1.00 42.30 ATOM 879 CB ASN 54 -4.521 -39.854 -4.382 1.00 12.21 ATOM 880 HB1 ASN 54 -4.559 -39.344 -5.335 1.00 38.34 ATOM 881 HB2 ASN 54 -4.887 -39.186 -3.614 1.00 21.31 ATOM 882 CG ASN 54 -5.453 -41.059 -4.447 1.00 31.44 ATOM 883 OD1 ASN 54 -6.443 -41.049 -5.171 1.00 13.14 ATOM 884 ND2 ASN 54 -5.156 -42.104 -3.696 1.00 72.32 ATOM 885 HD21 ASN 54 -4.363 -42.059 -3.132 1.00 64.20 ATOM 886 HD22 ASN 54 -5.745 -42.888 -3.747 1.00 3.12 ATOM 887 C ASN 54 -2.149 -39.011 -4.342 1.00 71.51 ATOM 888 O ASN 54 -1.158 -39.112 -5.066 1.00 22.11 ATOM 889 N ARG 55 -2.488 -37.862 -3.757 1.00 54.32 ATOM 890 HN ARG 55 -3.296 -37.830 -3.201 1.00 38.34 ATOM 891 CA ARG 55 -1.691 -36.640 -3.932 1.00 70.12 ATOM 892 HA ARG 55 -1.117 -36.760 -4.842 1.00 42.32 ATOM 893 CB ARG 55 -2.617 -35.428 -4.104 1.00 15.23 ATOM 894 HB1 ARG 55 -2.020 -34.527 -4.117 1.00 38.34 ATOM 895 HB2 ARG 55 -3.303 -35.386 -3.268 1.00 11.22 ATOM 896 CG ARG 55 -3.428 -35.490 -5.397 1.00 55.10 ATOM 897 HG1 ARG 55 -4.000 -36.408 -5.404 1.00 38.34 ATOM 898 HG2 ARG 55 -2.746 -35.491 -6.235 1.00 24.02 ATOM 899 CD ARG 55 -4.384 -34.314 -5.551 1.00 61.11 ATOM 900 HD1 ARG 55 -3.828 -33.393 -5.458 1.00 38.34 ATOM 901 HD2 ARG 55 -5.129 -34.365 -4.770 1.00 62.44 ATOM 902 NE ARG 55 -5.049 -34.338 -6.854 1.00 51.23 ATOM 903 HE ARG 55 -4.504 -34.580 -7.629 1.00 15.33 ATOM 904 CZ ARG 55 -6.310 -34.066 -7.052 1.00 4.05 ATOM 905 NH1 ARG 55 -7.083 -33.745 -6.064 1.00 0.54 ATOM 906 HH11 ARG 55 -6.720 -33.708 -5.135 1.00 64.35 ATOM 907 HH12 ARG 55 -8.042 -33.528 -6.234 1.00 14.41 ATOM 908 NH2 ARG 55 -6.800 -34.126 -8.247 1.00 33.44 ATOM 909 HH21 ARG 55 -6.215 -34.376 -9.014 1.00 12.41 ATOM 910 HH22 ARG 55 -7.768 -33.935 -8.398 1.00 31.52 ATOM 911 C ARG 55 -0.703 -36.434 -2.769 1.00 41.00 ATOM 912 O ARG 55 -1.095 -36.322 -1.603 1.00 13.12 ATOM 913 N ILE 56 0.585 -36.379 -3.111 1.00 2.12 ATOM 914 HN ILE 56 0.816 -36.381 -4.063 1.00 38.34 ATOM 915 CA ILE 56 1.672 -36.318 -2.125 1.00 62.14 ATOM 916 HA ILE 56 1.327 -36.785 -1.213 1.00 54.42 ATOM 917 CB ILE 56 2.899 -37.115 -2.648 1.00 64.52 ATOM 918 HB ILE 56 3.278 -36.608 -3.525 1.00 23.01 ATOM 919 CG1 ILE 56 2.470 -38.541 -3.043 1.00 0.41 ATOM 920 HG11 ILE 56 1.651 -38.483 -3.747 1.00 38.34 ATOM 921 HG12 ILE 56 2.138 -39.069 -2.161 1.00 1.33 ATOM 922 CG2 ILE 56 4.021 -37.159 -1.608 1.00 51.43 ATOM 923 HG21 ILE 56 3.652 -37.607 -0.696 1.00 40.23 ATOM 924 HG22 ILE 56 4.362 -36.155 -1.402 1.00 51.43 ATOM 925 HG23 ILE 56 4.845 -37.746 -1.988 1.00 40.12 ATOM 926 CD1 ILE 56 3.570 -39.361 -3.681 1.00 65.44 ATOM 927 HD11 ILE 56 4.408 -39.431 -3.003 1.00 21.42 ATOM 928 HD12 ILE 56 3.887 -38.889 -4.599 1.00 62.24 ATOM 929 HD13 ILE 56 3.199 -40.352 -3.895 1.00 24.42 ATOM 930 C ILE 56 2.088 -34.861 -1.820 1.00 34.24 ATOM 931 O ILE 56 2.134 -34.023 -2.724 1.00 3.00 ATOM 932 N PRO 57 2.378 -34.537 -0.535 1.00 43.23 ATOM 933 CA PRO 57 2.815 -33.181 -0.124 1.00 43.01 ATOM 934 HA PRO 57 2.044 -32.449 -0.328 1.00 21.32 ATOM 935 CB PRO 57 3.005 -33.311 1.399 1.00 1.21 ATOM 936 HB1 PRO 57 2.649 -32.415 1.888 1.00 38.34 ATOM 937 HB2 PRO 57 4.053 -33.456 1.625 1.00 15.25 ATOM 938 CG PRO 57 2.198 -34.502 1.788 1.00 73.23 ATOM 939 HG1 PRO 57 1.170 -34.212 1.966 1.00 38.34 ATOM 940 HG2 PRO 57 2.617 -34.959 2.675 1.00 75.05 ATOM 941 CD PRO 57 2.280 -35.447 0.624 1.00 40.15 ATOM 942 HD1 PRO 57 1.389 -36.056 0.564 1.00 38.34 ATOM 943 HD2 PRO 57 3.161 -36.070 0.702 1.00 60.43 ATOM 944 C PRO 57 4.135 -32.722 -0.782 1.00 40.41 ATOM 945 O PRO 57 5.034 -33.528 -1.041 1.00 50.45 ATOM 946 N ILE 58 4.248 -31.412 -1.027 1.00 33.12 ATOM 947 HN ILE 58 3.503 -30.822 -0.786 1.00 38.34 ATOM 948 CA ILE 58 5.447 -30.825 -1.649 1.00 54.03 ATOM 949 HA ILE 58 6.113 -31.633 -1.927 1.00 52.43 ATOM 950 CB ILE 58 5.081 -30.033 -2.935 1.00 64.13 ATOM 951 HB ILE 58 4.376 -29.260 -2.659 1.00 41.15 ATOM 952 CG1 ILE 58 4.421 -30.958 -3.974 1.00 0.52 ATOM 953 HG11 ILE 58 4.141 -30.372 -4.839 1.00 38.34 ATOM 954 HG12 ILE 58 3.532 -31.396 -3.543 1.00 11.12 ATOM 955 CG2 ILE 58 6.313 -29.349 -3.533 1.00 22.33 ATOM 956 HG21 ILE 58 7.060 -30.094 -3.772 1.00 14.21 ATOM 957 HG22 ILE 58 6.722 -28.647 -2.821 1.00 64.34 ATOM 958 HG23 ILE 58 6.032 -28.821 -4.434 1.00 61.41 ATOM 959 CD1 ILE 58 5.312 -32.092 -4.449 1.00 42.22 ATOM 960 HD11 ILE 58 4.788 -32.673 -5.193 1.00 65.14 ATOM 961 HD12 ILE 58 5.567 -32.726 -3.613 1.00 61.54 ATOM 962 HD13 ILE 58 6.216 -31.686 -4.881 1.00 42.22 ATOM 963 C ILE 58 6.186 -29.883 -0.675 1.00 32.24 ATOM 964 O ILE 58 5.583 -28.985 -0.085 1.00 72.53 ATOM 965 N MET 59 7.494 -30.088 -0.522 1.00 75.40 ATOM 966 HN MET 59 7.920 -30.818 -1.023 1.00 38.34 ATOM 967 CA MET 59 8.323 -29.256 0.364 1.00 2.31 ATOM 968 HA MET 59 7.772 -28.352 0.591 1.00 32.23 ATOM 969 CB MET 59 8.619 -30.007 1.670 1.00 34.41 ATOM 970 HB1 MET 59 9.194 -30.894 1.441 1.00 38.34 ATOM 971 HB2 MET 59 7.682 -30.306 2.117 1.00 21.21 ATOM 972 CG MET 59 9.393 -29.186 2.694 1.00 54.33 ATOM 973 HG1 MET 59 10.299 -28.814 2.233 1.00 38.34 ATOM 974 HG2 MET 59 9.650 -29.821 3.528 1.00 43.32 ATOM 975 SD MET 59 8.445 -27.781 3.312 1.00 41.13 ATOM 976 CE MET 59 7.136 -28.618 4.206 1.00 43.21 ATOM 977 HE1 MET 59 7.565 -29.231 4.986 1.00 22.32 ATOM 978 HE2 MET 59 6.575 -29.244 3.526 1.00 2.04 ATOM 979 HE3 MET 59 6.475 -27.886 4.646 1.00 44.23 ATOM 980 C MET 59 9.642 -28.878 -0.328 1.00 72.11 ATOM 981 O MET 59 10.274 -29.722 -0.957 1.00 65.34 ATOM 982 N ALA 60 10.047 -27.608 -0.215 1.00 54.15 ATOM 983 HN ALA 60 9.506 -26.982 0.313 1.00 38.34 ATOM 984 CA ALA 60 11.288 -27.121 -0.846 1.00 21.24 ATOM 985 HA ALA 60 11.345 -26.057 -0.669 1.00 54.34 ATOM 986 CB ALA 60 12.508 -27.774 -0.189 1.00 63.13 ATOM 987 HB1 ALA 60 13.412 -27.366 -0.619 1.00 21.51 ATOM 988 HB2 ALA 60 12.481 -28.842 -0.354 1.00 45.11 ATOM 989 HB3 ALA 60 12.494 -27.575 0.872 1.00 33.31 ATOM 990 C ALA 60 11.287 -27.360 -2.371 1.00 75.43 ATOM 991 O ALA 60 12.341 -27.516 -2.990 1.00 11.20 ATOM 992 N LYS 61 10.084 -27.359 -2.959 1.00 53.34 ATOM 993 HN LYS 61 9.296 -27.198 -2.400 1.00 38.34 ATOM 994 CA LYS 61 9.885 -27.582 -4.403 1.00 52.13 ATOM 995 HA LYS 61 8.837 -27.407 -4.601 1.00 20.34 ATOM 996 CB LYS 61 10.705 -26.578 -5.240 1.00 50.32 ATOM 997 HB1 LYS 61 10.538 -26.781 -6.290 1.00 38.34 ATOM 998 HB2 LYS 61 11.754 -26.718 -5.021 1.00 42.13 ATOM 999 CG LYS 61 10.352 -25.115 -4.976 1.00 24.33 ATOM 1000 HG1 LYS 61 10.914 -24.492 -5.660 1.00 38.34 ATOM 1001 HG2 LYS 61 10.622 -24.868 -3.960 1.00 71.44 ATOM 1002 CD LYS 61 8.859 -24.842 -5.171 1.00 73.43 ATOM 1003 HD1 LYS 61 8.294 -25.485 -4.510 1.00 38.34 ATOM 1004 HD2 LYS 61 8.594 -25.057 -6.197 1.00 1.31 ATOM 1005 CE LYS 61 8.509 -23.390 -4.867 1.00 34.22 ATOM 1006 HE1 LYS 61 8.981 -22.756 -5.603 1.00 38.34 ATOM 1007 HE2 LYS 61 8.884 -23.138 -3.886 1.00 40.23 ATOM 1008 NZ LYS 61 7.041 -23.149 -4.894 1.00 63.24 ATOM 1009 HZ1 LYS 61 6.566 -23.738 -4.179 1.00 73.43 ATOM 1010 HZ2 LYS 61 6.654 -23.382 -5.829 1.00 44.24 ATOM 1011 HZ3 LYS 61 6.838 -22.149 -4.691 1.00 41.13 ATOM 1012 C LYS 61 10.200 -29.031 -4.827 1.00 50.32 ATOM 1013 O LYS 61 10.351 -29.320 -6.014 1.00 24.23 ATOM 1014 N GLN 62 10.279 -29.941 -3.860 1.00 2.31 ATOM 1015 HN GLN 62 10.252 -29.646 -2.924 1.00 38.34 ATOM 1016 CA GLN 62 10.416 -31.373 -4.154 1.00 73.52 ATOM 1017 HA GLN 62 10.290 -31.506 -5.221 1.00 3.33 ATOM 1018 CB GLN 62 11.803 -31.898 -3.749 1.00 13.14 ATOM 1019 HB1 GLN 62 12.555 -31.327 -4.276 1.00 38.34 ATOM 1020 HB2 GLN 62 11.882 -32.934 -4.048 1.00 24.33 ATOM 1021 CG GLN 62 12.095 -31.808 -2.253 1.00 4.31 ATOM 1022 HG1 GLN 62 11.196 -32.056 -1.706 1.00 38.34 ATOM 1023 HG2 GLN 62 12.387 -30.793 -2.016 1.00 4.04 ATOM 1024 CD GLN 62 13.209 -32.748 -1.815 1.00 40.12 ATOM 1025 OE1 GLN 62 14.386 -32.400 -1.849 1.00 74.24 ATOM 1026 NE2 GLN 62 12.847 -33.949 -1.399 1.00 74.14 ATOM 1027 HE21 GLN 62 11.892 -34.174 -1.393 1.00 4.33 ATOM 1028 HE22 GLN 62 13.546 -34.565 -1.105 1.00 51.31 ATOM 1029 C GLN 62 9.332 -32.187 -3.434 1.00 12.03 ATOM 1030 O GLN 62 8.534 -31.645 -2.667 1.00 72.43 ATOM 1031 N VAL 63 9.306 -33.488 -3.689 1.00 21.21 ATOM 1032 HN VAL 63 9.936 -33.857 -4.339 1.00 38.34 ATOM 1033 CA VAL 63 8.361 -34.387 -3.023 1.00 23.33 ATOM 1034 HA VAL 63 7.397 -33.896 -2.998 1.00 32.24 ATOM 1035 CB VAL 63 8.209 -35.714 -3.808 1.00 52.22 ATOM 1036 HB VAL 63 7.876 -35.474 -4.808 1.00 24.50 ATOM 1037 CG1 VAL 63 9.552 -36.436 -3.924 1.00 51.34 ATOM 1038 HG11 VAL 63 9.914 -36.688 -2.937 1.00 5.31 ATOM 1039 HG12 VAL 63 10.268 -35.791 -4.414 1.00 4.14 ATOM 1040 HG13 VAL 63 9.427 -37.340 -4.503 1.00 73.23 ATOM 1041 CG2 VAL 63 7.156 -36.619 -3.164 1.00 62.53 ATOM 1042 HG21 VAL 63 7.071 -37.535 -3.732 1.00 34.44 ATOM 1043 HG22 VAL 63 6.200 -36.114 -3.155 1.00 44.53 ATOM 1044 HG23 VAL 63 7.447 -36.852 -2.149 1.00 72.41 ATOM 1045 C VAL 63 8.801 -34.697 -1.581 1.00 23.42 ATOM 1046 O VAL 63 9.996 -34.742 -1.280 1.00 22.41 ATOM 1047 N LEU 64 7.831 -34.890 -0.693 1.00 74.42 ATOM 1048 HN LEU 64 6.899 -34.752 -0.966 1.00 38.34 ATOM 1049 CA LEU 64 8.120 -35.291 0.684 1.00 33.43 ATOM 1050 HA LEU 64 8.974 -34.720 1.023 1.00 21.34 ATOM 1051 CB LEU 64 6.918 -34.974 1.588 1.00 44.42 ATOM 1052 HB1 LEU 64 6.065 -35.530 1.223 1.00 38.34 ATOM 1053 HB2 LEU 64 6.699 -33.918 1.499 1.00 53.31 ATOM 1054 CG LEU 64 7.106 -35.304 3.079 1.00 50.23 ATOM 1055 HG LEU 64 7.290 -36.365 3.183 1.00 53.32 ATOM 1056 CD1 LEU 64 8.313 -34.559 3.652 1.00 43.30 ATOM 1057 HD11 LEU 64 8.166 -33.492 3.544 1.00 71.11 ATOM 1058 HD12 LEU 64 9.206 -34.853 3.120 1.00 50.14 ATOM 1059 HD13 LEU 64 8.425 -34.800 4.699 1.00 62.25 ATOM 1060 CD2 LEU 64 5.842 -34.966 3.870 1.00 65.43 ATOM 1061 HD21 LEU 64 5.989 -35.224 4.910 1.00 61.12 ATOM 1062 HD22 LEU 64 5.008 -35.526 3.477 1.00 31.13 ATOM 1063 HD23 LEU 64 5.636 -33.907 3.790 1.00 24.04 ATOM 1064 C LEU 64 8.468 -36.789 0.752 1.00 23.00 ATOM 1065 O LEU 64 7.590 -37.648 0.633 1.00 70.43 ATOM 1066 N ASP 65 9.757 -37.096 0.912 1.00 70.42 ATOM 1067 HN ASP 65 10.419 -36.370 0.950 1.00 38.34 ATOM 1068 CA ASP 65 10.225 -38.483 0.996 1.00 2.23 ATOM 1069 HA ASP 65 9.941 -38.980 0.080 1.00 53.10 ATOM 1070 CB ASP 65 11.752 -38.519 1.123 1.00 32.40 ATOM 1071 HB1 ASP 65 12.091 -39.541 1.024 1.00 38.34 ATOM 1072 HB2 ASP 65 12.035 -38.146 2.097 1.00 12.53 ATOM 1073 CG ASP 65 12.444 -37.675 0.070 1.00 15.15 ATOM 1074 OD1 ASP 65 12.643 -36.466 0.312 1.00 61.22 ATOM 1075 OD2 ASP 65 12.807 -38.219 -0.990 1.00 30.42 ATOM 1076 C ASP 65 9.588 -39.230 2.182 1.00 23.14 ATOM 1077 O ASP 65 10.168 -39.301 3.266 1.00 64.24 ATOM 1078 N LEU 66 8.391 -39.779 1.970 1.00 24.24 ATOM 1079 HN LEU 66 7.972 -39.668 1.089 1.00 38.34 ATOM 1080 CA LEU 66 7.663 -40.506 3.022 1.00 41.24 ATOM 1081 HA LEU 66 7.396 -39.789 3.785 1.00 31.43 ATOM 1082 CB LEU 66 6.375 -41.116 2.450 1.00 52.30 ATOM 1083 HB1 LEU 66 5.883 -41.667 3.240 1.00 38.34 ATOM 1084 HB2 LEU 66 6.649 -41.812 1.668 1.00 4.15 ATOM 1085 CG LEU 66 5.369 -40.105 1.868 1.00 74.24 ATOM 1086 HG LEU 66 5.840 -39.577 1.050 1.00 61.01 ATOM 1087 CD1 LEU 66 4.141 -40.821 1.309 1.00 70.01 ATOM 1088 HD11 LEU 66 3.660 -41.385 2.094 1.00 44.24 ATOM 1089 HD12 LEU 66 4.444 -41.492 0.518 1.00 41.43 ATOM 1090 HD13 LEU 66 3.448 -40.092 0.914 1.00 22.31 ATOM 1091 CD2 LEU 66 4.961 -39.073 2.921 1.00 62.10 ATOM 1092 HD21 LEU 66 5.834 -38.527 3.247 1.00 54.42 ATOM 1093 HD22 LEU 66 4.513 -39.574 3.767 1.00 72.35 ATOM 1094 HD23 LEU 66 4.248 -38.383 2.492 1.00 13.15 ATOM 1095 C LEU 66 8.525 -41.606 3.668 1.00 41.45 ATOM 1096 O LEU 66 8.535 -41.762 4.890 1.00 23.01 ATOM 1097 N PHE 67 9.251 -42.358 2.842 1.00 72.11 ATOM 1098 HN PHE 67 9.194 -42.195 1.878 1.00 38.34 ATOM 1099 CA PHE 67 10.129 -43.428 3.337 1.00 73.55 ATOM 1100 HA PHE 67 9.512 -44.155 3.845 1.00 32.42 ATOM 1101 CB PHE 67 10.840 -44.113 2.157 1.00 33.54 ATOM 1102 HB1 PHE 67 11.415 -43.373 1.617 1.00 38.34 ATOM 1103 HB2 PHE 67 10.095 -44.531 1.494 1.00 51.13 ATOM 1104 CG PHE 67 11.778 -45.229 2.566 1.00 2.41 ATOM 1105 CD1 PHE 67 11.327 -46.537 2.657 1.00 44.14 ATOM 1106 HD1 PHE 67 10.294 -46.756 2.430 1.00 30.41 ATOM 1107 CD2 PHE 67 13.111 -44.968 2.860 1.00 1.30 ATOM 1108 HD2 PHE 67 13.479 -43.954 2.795 1.00 25.53 ATOM 1109 CE1 PHE 67 12.180 -47.559 3.032 1.00 15.43 ATOM 1110 HE1 PHE 67 11.812 -48.572 3.098 1.00 12.00 ATOM 1111 CE2 PHE 67 13.968 -45.986 3.235 1.00 73.23 ATOM 1112 HE2 PHE 67 15.002 -45.767 3.461 1.00 14.51 ATOM 1113 CZ PHE 67 13.501 -47.284 3.321 1.00 33.23 ATOM 1114 HZ PHE 67 14.167 -48.082 3.614 1.00 72.05 ATOM 1115 C PHE 67 11.174 -42.884 4.327 1.00 0.30 ATOM 1116 O PHE 67 11.335 -43.406 5.431 1.00 24.24 ATOM 1117 N MET 68 11.868 -41.822 3.926 1.00 22.24 ATOM 1118 HN MET 68 11.653 -41.411 3.065 1.00 38.34 ATOM 1119 CA MET 68 12.935 -41.244 4.747 1.00 71.42 ATOM 1120 HA MET 68 13.561 -42.057 5.091 1.00 10.22 ATOM 1121 CB MET 68 13.791 -40.283 3.914 1.00 35.12 ATOM 1122 HB1 MET 68 14.611 -39.929 4.524 1.00 38.34 ATOM 1123 HB2 MET 68 13.183 -39.439 3.622 1.00 33.10 ATOM 1124 CG MET 68 14.373 -40.910 2.652 1.00 34.43 ATOM 1125 HG1 MET 68 14.998 -40.179 2.159 1.00 38.34 ATOM 1126 HG2 MET 68 13.560 -41.184 1.994 1.00 63.14 ATOM 1127 SD MET 68 15.363 -42.385 2.985 1.00 14.31 ATOM 1128 CE MET 68 16.650 -41.712 4.040 1.00 73.32 ATOM 1129 HE1 MET 68 17.197 -40.950 3.503 1.00 74.51 ATOM 1130 HE2 MET 68 17.327 -42.502 4.332 1.00 44.42 ATOM 1131 HE3 MET 68 16.202 -41.279 4.922 1.00 44.30 ATOM 1132 C MET 68 12.360 -40.517 5.972 1.00 23.21 ATOM 1133 O MET 68 12.947 -40.545 7.051 1.00 24.00 ATOM 1134 N LEU 69 11.206 -39.875 5.796 1.00 12.21 ATOM 1135 HN LEU 69 10.810 -39.850 4.902 1.00 38.34 ATOM 1136 CA LEU 69 10.512 -39.199 6.899 1.00 3.43 ATOM 1137 HA LEU 69 11.160 -38.420 7.274 1.00 24.42 ATOM 1138 CB LEU 69 9.203 -38.567 6.393 1.00 50.14 ATOM 1139 HB1 LEU 69 8.510 -39.364 6.160 1.00 38.34 ATOM 1140 HB2 LEU 69 9.419 -38.028 5.481 1.00 24.11 ATOM 1141 CG LEU 69 8.512 -37.600 7.371 1.00 43.34 ATOM 1142 HG LEU 69 8.396 -38.090 8.330 1.00 62.44 ATOM 1143 CD1 LEU 69 9.367 -36.356 7.589 1.00 20.33 ATOM 1144 HD11 LEU 69 8.880 -35.701 8.297 1.00 2.12 ATOM 1145 HD12 LEU 69 9.497 -35.836 6.649 1.00 1.42 ATOM 1146 HD13 LEU 69 10.334 -36.646 7.974 1.00 75.00 ATOM 1147 CD2 LEU 69 7.120 -37.220 6.864 1.00 20.23 ATOM 1148 HD21 LEU 69 6.649 -36.547 7.567 1.00 33.41 ATOM 1149 HD22 LEU 69 6.518 -38.111 6.765 1.00 22.23 ATOM 1150 HD23 LEU 69 7.205 -36.734 5.902 1.00 21.15 ATOM 1151 C LEU 69 10.212 -40.190 8.037 1.00 2.03 ATOM 1152 O LEU 69 10.438 -39.899 9.213 1.00 13.20 ATOM 1153 N TYR 70 9.709 -41.369 7.664 1.00 42.24 ATOM 1154 HN TYR 70 9.501 -41.514 6.716 1.00 38.34 ATOM 1155 CA TYR 70 9.448 -42.451 8.621 1.00 33.52 ATOM 1156 HA TYR 70 8.733 -42.090 9.345 1.00 60.02 ATOM 1157 CB TYR 70 8.852 -43.660 7.886 1.00 12.20 ATOM 1158 HB1 TYR 70 9.591 -44.052 7.202 1.00 38.34 ATOM 1159 HB2 TYR 70 7.990 -43.336 7.321 1.00 44.03 ATOM 1160 CG TYR 70 8.406 -44.793 8.795 1.00 63.15 ATOM 1161 CD1 TYR 70 7.184 -44.737 9.461 1.00 20.44 ATOM 1162 HD1 TYR 70 6.555 -43.868 9.334 1.00 52.53 ATOM 1163 CD2 TYR 70 9.197 -45.924 8.975 1.00 61.34 ATOM 1164 HD2 TYR 70 10.149 -45.986 8.466 1.00 33.13 ATOM 1165 CE1 TYR 70 6.768 -45.772 10.278 1.00 24.01 ATOM 1166 HE1 TYR 70 5.816 -45.708 10.786 1.00 22.53 ATOM 1167 CE2 TYR 70 8.788 -46.960 9.792 1.00 55.25 ATOM 1168 HE2 TYR 70 9.419 -47.829 9.920 1.00 43.43 ATOM 1169 CZ TYR 70 7.573 -46.880 10.441 1.00 23.51 ATOM 1170 OH TYR 70 7.159 -47.915 11.248 1.00 22.53 ATOM 1171 HH TYR 70 7.926 -48.323 11.665 1.00 42.31 ATOM 1172 C TYR 70 10.736 -42.854 9.354 1.00 61.22 ATOM 1173 O TYR 70 10.758 -42.966 10.580 1.00 21.01 ATOM 1174 N VAL 71 11.807 -43.060 8.587 1.00 71.21 ATOM 1175 HN VAL 71 11.712 -42.976 7.613 1.00 38.34 ATOM 1176 CA VAL 71 13.121 -43.404 9.147 1.00 52.13 ATOM 1177 HA VAL 71 13.035 -44.371 9.626 1.00 53.24 ATOM 1178 CB VAL 71 14.189 -43.511 8.024 1.00 75.21 ATOM 1179 HB VAL 71 14.216 -42.568 7.495 1.00 1.44 ATOM 1180 CG1 VAL 71 15.581 -43.767 8.600 1.00 4.41 ATOM 1181 HG11 VAL 71 16.287 -43.892 7.792 1.00 5.40 ATOM 1182 HG12 VAL 71 15.565 -44.662 9.205 1.00 13.40 ATOM 1183 HG13 VAL 71 15.881 -42.926 9.209 1.00 2.43 ATOM 1184 CG2 VAL 71 13.811 -44.603 7.023 1.00 21.24 ATOM 1185 HG21 VAL 71 12.837 -44.389 6.605 1.00 3.11 ATOM 1186 HG22 VAL 71 13.785 -45.560 7.523 1.00 2.13 ATOM 1187 HG23 VAL 71 14.542 -44.632 6.228 1.00 31.20 ATOM 1188 C VAL 71 13.582 -42.371 10.194 1.00 51.54 ATOM 1189 O VAL 71 13.963 -42.734 11.311 1.00 15.04 ATOM 1190 N LEU 72 13.519 -41.090 9.829 1.00 74.12 ATOM 1191 HN LEU 72 13.175 -40.870 8.938 1.00 38.34 ATOM 1192 CA LEU 72 13.953 -39.997 10.712 1.00 63.11 ATOM 1193 HA LEU 72 14.984 -40.188 10.974 1.00 72.14 ATOM 1194 CB LEU 72 13.882 -38.648 9.967 1.00 14.24 ATOM 1195 HB1 LEU 72 13.654 -37.872 10.685 1.00 38.34 ATOM 1196 HB2 LEU 72 13.070 -38.697 9.255 1.00 32.33 ATOM 1197 CG LEU 72 15.159 -38.237 9.213 1.00 63.15 ATOM 1198 HG LEU 72 14.975 -37.306 8.693 1.00 0.15 ATOM 1199 CD1 LEU 72 16.303 -37.999 10.195 1.00 41.43 ATOM 1200 HD11 LEU 72 17.192 -37.709 9.652 1.00 4.34 ATOM 1201 HD12 LEU 72 16.501 -38.906 10.749 1.00 74.54 ATOM 1202 HD13 LEU 72 16.030 -37.211 10.882 1.00 64.35 ATOM 1203 CD2 LEU 72 15.550 -39.288 8.173 1.00 3.42 ATOM 1204 HD21 LEU 72 15.727 -40.235 8.662 1.00 5.41 ATOM 1205 HD22 LEU 72 16.449 -38.973 7.662 1.00 14.23 ATOM 1206 HD23 LEU 72 14.751 -39.399 7.454 1.00 45.52 ATOM 1207 C LEU 72 13.138 -39.926 12.017 1.00 1.04 ATOM 1208 O LEU 72 13.703 -39.808 13.101 1.00 63.04 ATOM 1209 N VAL 73 11.818 -39.989 11.916 1.00 25.41 ATOM 1210 HN VAL 73 11.409 -40.107 11.030 1.00 38.34 ATOM 1211 CA VAL 73 10.957 -39.879 13.099 1.00 54.41 ATOM 1212 HA VAL 73 11.264 -38.996 13.644 1.00 55.11 ATOM 1213 CB VAL 73 9.474 -39.693 12.691 1.00 61.34 ATOM 1214 HB VAL 73 9.174 -40.548 12.096 1.00 50.40 ATOM 1215 CG1 VAL 73 8.572 -39.627 13.921 1.00 53.14 ATOM 1216 HG11 VAL 73 8.661 -40.544 14.485 1.00 52.13 ATOM 1217 HG12 VAL 73 7.546 -39.497 13.610 1.00 0.51 ATOM 1218 HG13 VAL 73 8.869 -38.793 14.541 1.00 75.41 ATOM 1219 CG2 VAL 73 9.309 -38.436 11.837 1.00 43.24 ATOM 1220 HG21 VAL 73 8.266 -38.305 11.584 1.00 2.31 ATOM 1221 HG22 VAL 73 9.886 -38.536 10.929 1.00 61.11 ATOM 1222 HG23 VAL 73 9.656 -37.574 12.389 1.00 5.22 ATOM 1223 C VAL 73 11.098 -41.099 14.033 1.00 1.43 ATOM 1224 O VAL 73 11.187 -40.953 15.258 1.00 60.24 ATOM 1225 N THR 74 11.143 -42.298 13.453 1.00 71.34 ATOM 1226 HN THR 74 11.111 -42.355 12.473 1.00 38.34 ATOM 1227 CA THR 74 11.232 -43.538 14.244 1.00 12.12 ATOM 1228 HA THR 74 10.464 -43.486 15.005 1.00 55.11 ATOM 1229 CB THR 74 10.960 -44.801 13.387 1.00 75.02 ATOM 1230 HB THR 74 11.096 -45.677 14.008 1.00 13.22 ATOM 1231 OG1 THR 74 11.879 -44.868 12.285 1.00 22.41 ATOM 1232 HG1 THR 74 11.582 -44.272 11.586 1.00 71.21 ATOM 1233 CG2 THR 74 9.531 -44.803 12.858 1.00 41.02 ATOM 1234 HG21 THR 74 9.361 -45.702 12.283 1.00 72.31 ATOM 1235 HG22 THR 74 9.381 -43.940 12.224 1.00 11.01 ATOM 1236 HG23 THR 74 8.837 -44.768 13.685 1.00 64.34 ATOM 1237 C THR 74 12.590 -43.694 14.947 1.00 31.32 ATOM 1238 O THR 74 12.659 -44.259 16.041 1.00 31.41 ATOM 1239 N GLU 75 13.669 -43.195 14.334 1.00 35.31 ATOM 1240 HN GLU 75 13.572 -42.770 13.455 1.00 38.34 ATOM 1241 CA GLU 75 15.002 -43.286 14.953 1.00 52.15 ATOM 1242 HA GLU 75 15.140 -44.313 15.270 1.00 44.05 ATOM 1243 CB GLU 75 16.117 -42.928 13.951 1.00 23.52 ATOM 1244 HB1 GLU 75 16.011 -43.554 13.075 1.00 38.34 ATOM 1245 HB2 GLU 75 17.075 -43.133 14.409 1.00 55.34 ATOM 1246 CG GLU 75 16.109 -41.471 13.497 1.00 31.12 ATOM 1247 HG1 GLU 75 16.093 -40.836 14.373 1.00 38.34 ATOM 1248 HG2 GLU 75 15.214 -41.296 12.918 1.00 1.34 ATOM 1249 CD GLU 75 17.314 -41.099 12.647 1.00 65.33 ATOM 1250 OE1 GLU 75 18.263 -40.488 13.188 1.00 53.01 ATOM 1251 OE2 GLU 75 17.323 -41.419 11.442 1.00 51.02 ATOM 1252 C GLU 75 15.113 -42.381 16.192 1.00 51.42 ATOM 1253 O GLU 75 15.855 -42.685 17.130 1.00 65.34 ATOM 1254 N LYS 76 14.371 -41.269 16.194 1.00 41.31 ATOM 1255 HN LYS 76 13.793 -41.081 15.423 1.00 38.34 ATOM 1256 CA LYS 76 14.412 -40.318 17.314 1.00 3.40 ATOM 1257 HA LYS 76 15.447 -40.208 17.610 1.00 73.44 ATOM 1258 CB LYS 76 13.875 -38.942 16.883 1.00 54.53 ATOM 1259 HB1 LYS 76 14.009 -38.247 17.700 1.00 38.34 ATOM 1260 HB2 LYS 76 12.818 -39.033 16.675 1.00 25.14 ATOM 1261 CG LYS 76 14.553 -38.357 15.643 1.00 11.50 ATOM 1262 HG1 LYS 76 14.154 -37.368 15.465 1.00 38.34 ATOM 1263 HG2 LYS 76 14.328 -38.988 14.797 1.00 62.21 ATOM 1264 CD LYS 76 16.073 -38.258 15.792 1.00 22.54 ATOM 1265 HD1 LYS 76 16.471 -39.241 15.998 1.00 38.34 ATOM 1266 HD2 LYS 76 16.305 -37.595 16.614 1.00 3.54 ATOM 1267 CE LYS 76 16.727 -37.716 14.521 1.00 43.32 ATOM 1268 HE1 LYS 76 16.391 -36.702 14.362 1.00 38.34 ATOM 1269 HE2 LYS 76 16.422 -38.328 13.684 1.00 13.11 ATOM 1270 NZ LYS 76 18.211 -37.726 14.605 1.00 34.52 ATOM 1271 HZ1 LYS 76 18.549 -38.689 14.797 1.00 45.35 ATOM 1272 HZ2 LYS 76 18.535 -37.098 15.368 1.00 22.22 ATOM 1273 HZ3 LYS 76 18.623 -37.403 13.706 1.00 24.05 ATOM 1274 C LYS 76 13.614 -40.831 18.526 1.00 4.33 ATOM 1275 O LYS 76 13.836 -40.388 19.651 1.00 4.54 ATOM 1276 N GLY 77 12.687 -41.767 18.295 1.00 61.54 ATOM 1277 HN GLY 77 12.548 -42.090 17.380 1.00 38.34 ATOM 1278 CA GLY 77 11.895 -42.325 19.392 1.00 45.11 ATOM 1279 HA1 GLY 77 11.997 -41.685 20.258 1.00 38.34 ATOM 1280 HA2 GLY 77 12.290 -43.299 19.639 1.00 3.01 ATOM 1281 C GLY 77 10.408 -42.474 19.070 1.00 11.24 ATOM 1282 O GLY 77 9.682 -43.163 19.787 1.00 73.15 ATOM 1283 N GLY 78 9.946 -41.822 18.004 1.00 74.22 ATOM 1284 HN GLY 78 10.561 -41.274 17.474 1.00 38.34 ATOM 1285 CA GLY 78 8.535 -41.907 17.619 1.00 50.25 ATOM 1286 HA1 GLY 78 7.977 -42.386 18.413 1.00 38.34 ATOM 1287 HA2 GLY 78 8.457 -42.512 16.729 1.00 22.42 ATOM 1288 C GLY 78 7.914 -40.544 17.336 1.00 22.22 ATOM 1289 O GLY 78 8.501 -39.510 17.664 1.00 74.45 ATOM 1290 N LEU 79 6.719 -40.537 16.741 1.00 60.31 ATOM 1291 HN LEU 79 6.276 -41.397 16.548 1.00 38.34 ATOM 1292 CA LEU 79 6.045 -39.285 16.361 1.00 12.20 ATOM 1293 HA LEU 79 6.646 -38.814 15.596 1.00 72.21 ATOM 1294 CB LEU 79 4.656 -39.582 15.775 1.00 45.44 ATOM 1295 HB1 LEU 79 4.101 -40.164 16.499 1.00 38.34 ATOM 1296 HB2 LEU 79 4.788 -40.183 14.885 1.00 11.42 ATOM 1297 CG LEU 79 3.815 -38.343 15.405 1.00 55.51 ATOM 1298 HG LEU 79 3.627 -37.768 16.302 1.00 42.31 ATOM 1299 CD1 LEU 79 4.564 -37.442 14.425 1.00 75.52 ATOM 1300 HD11 LEU 79 5.474 -37.084 14.885 1.00 4.23 ATOM 1301 HD12 LEU 79 3.943 -36.598 14.161 1.00 20.34 ATOM 1302 HD13 LEU 79 4.809 -38.000 13.532 1.00 33.44 ATOM 1303 CD2 LEU 79 2.463 -38.760 14.827 1.00 51.44 ATOM 1304 HD21 LEU 79 1.923 -39.344 15.558 1.00 71.02 ATOM 1305 HD22 LEU 79 2.616 -39.353 13.936 1.00 63.10 ATOM 1306 HD23 LEU 79 1.890 -37.879 14.579 1.00 43.23 ATOM 1307 C LEU 79 5.915 -38.311 17.544 1.00 22.41 ATOM 1308 O LEU 79 6.397 -37.177 17.486 1.00 73.34 ATOM 1309 N VAL 80 5.275 -38.759 18.618 1.00 30.33 ATOM 1310 HN VAL 80 4.962 -39.690 18.633 1.00 38.34 ATOM 1311 CA VAL 80 5.038 -37.901 19.783 1.00 14.31 ATOM 1312 HA VAL 80 4.520 -37.016 19.434 1.00 52.24 ATOM 1313 CB VAL 80 4.133 -38.606 20.818 1.00 42.13 ATOM 1314 HB VAL 80 4.616 -39.523 21.127 1.00 64.12 ATOM 1315 CG1 VAL 80 3.924 -37.736 22.051 1.00 51.30 ATOM 1316 HG11 VAL 80 3.473 -36.799 21.760 1.00 14.24 ATOM 1317 HG12 VAL 80 4.875 -37.548 22.528 1.00 65.43 ATOM 1318 HG13 VAL 80 3.271 -38.248 22.742 1.00 61.31 ATOM 1319 CG2 VAL 80 2.794 -38.961 20.186 1.00 64.21 ATOM 1320 HG21 VAL 80 2.277 -38.055 19.902 1.00 11.55 ATOM 1321 HG22 VAL 80 2.191 -39.511 20.895 1.00 34.21 ATOM 1322 HG23 VAL 80 2.957 -39.569 19.307 1.00 61.01 ATOM 1323 C VAL 80 6.353 -37.461 20.444 1.00 54.23 ATOM 1324 O VAL 80 6.478 -36.320 20.891 1.00 15.53 ATOM 1325 N GLU 81 7.336 -38.359 20.491 1.00 22.43 ATOM 1326 HN GLU 81 7.168 -39.267 20.164 1.00 38.34 ATOM 1327 CA GLU 81 8.664 -38.020 21.016 1.00 14.22 ATOM 1328 HA GLU 81 8.554 -37.771 22.063 1.00 65.10 ATOM 1329 CB GLU 81 9.613 -39.222 20.881 1.00 1.04 ATOM 1330 HB1 GLU 81 9.684 -39.491 19.837 1.00 38.34 ATOM 1331 HB2 GLU 81 9.195 -40.057 21.426 1.00 13.11 ATOM 1332 CG GLU 81 11.027 -38.967 21.404 1.00 11.41 ATOM 1333 HG1 GLU 81 11.399 -38.054 20.962 1.00 38.34 ATOM 1334 HG2 GLU 81 11.658 -39.790 21.100 1.00 63.10 ATOM 1335 CD GLU 81 11.097 -38.837 22.922 1.00 4.45 ATOM 1336 OE1 GLU 81 10.690 -37.788 23.461 1.00 41.24 ATOM 1337 OE2 GLU 81 11.579 -39.781 23.584 1.00 73.03 ATOM 1338 C GLU 81 9.245 -36.804 20.272 1.00 31.12 ATOM 1339 O GLU 81 9.650 -35.815 20.886 1.00 33.10 ATOM 1340 N VAL 82 9.252 -36.880 18.941 1.00 14.11 ATOM 1341 HN VAL 82 8.918 -37.699 18.512 1.00 38.34 ATOM 1342 CA VAL 82 9.744 -35.784 18.095 1.00 14.42 ATOM 1343 HA VAL 82 10.789 -35.633 18.327 1.00 5.45 ATOM 1344 CB VAL 82 9.632 -36.147 16.590 1.00 71.13 ATOM 1345 HB VAL 82 8.594 -36.359 16.368 1.00 65.52 ATOM 1346 CG1 VAL 82 10.077 -34.981 15.705 1.00 3.20 ATOM 1347 HG11 VAL 82 9.994 -35.264 14.666 1.00 3.24 ATOM 1348 HG12 VAL 82 11.104 -34.729 15.928 1.00 63.32 ATOM 1349 HG13 VAL 82 9.447 -34.123 15.892 1.00 64.14 ATOM 1350 CG2 VAL 82 10.447 -37.398 16.279 1.00 40.13 ATOM 1351 HG21 VAL 82 10.079 -38.225 16.870 1.00 35.12 ATOM 1352 HG22 VAL 82 11.487 -37.221 16.518 1.00 43.12 ATOM 1353 HG23 VAL 82 10.356 -37.639 15.229 1.00 75.44 ATOM 1354 C VAL 82 8.982 -34.472 18.361 1.00 44.15 ATOM 1355 O VAL 82 9.580 -33.392 18.412 1.00 52.12 ATOM 1356 N ILE 83 7.664 -34.573 18.536 1.00 34.53 ATOM 1357 HN ILE 83 7.246 -35.461 18.482 1.00 38.34 ATOM 1358 CA ILE 83 6.821 -33.401 18.800 1.00 5.10 ATOM 1359 HA ILE 83 6.984 -32.695 17.995 1.00 75.25 ATOM 1360 CB ILE 83 5.315 -33.778 18.807 1.00 3.12 ATOM 1361 HB ILE 83 5.154 -34.515 19.583 1.00 2.02 ATOM 1362 CG1 ILE 83 4.914 -34.385 17.451 1.00 65.31 ATOM 1363 HG11 ILE 83 5.541 -35.241 17.248 1.00 38.34 ATOM 1364 HG12 ILE 83 5.061 -33.647 16.675 1.00 44.32 ATOM 1365 CG2 ILE 83 4.450 -32.558 19.126 1.00 20.33 ATOM 1366 HG21 ILE 83 4.693 -32.191 20.112 1.00 24.44 ATOM 1367 HG22 ILE 83 3.404 -32.834 19.095 1.00 72.23 ATOM 1368 HG23 ILE 83 4.636 -31.781 18.398 1.00 73.53 ATOM 1369 CD1 ILE 83 3.469 -34.840 17.384 1.00 74.43 ATOM 1370 HD11 ILE 83 2.815 -33.990 17.521 1.00 51.51 ATOM 1371 HD12 ILE 83 3.282 -35.567 18.160 1.00 43.32 ATOM 1372 HD13 ILE 83 3.278 -35.287 16.419 1.00 14.32 ATOM 1373 C ILE 83 7.188 -32.718 20.133 1.00 70.23 ATOM 1374 O ILE 83 7.267 -31.491 20.206 1.00 64.45 ATOM 1375 N ASN 84 7.415 -33.514 21.180 1.00 11.53 ATOM 1376 HN ASN 84 7.294 -34.484 21.079 1.00 38.34 ATOM 1377 CA ASN 84 7.837 -32.971 22.483 1.00 2.25 ATOM 1378 HA ASN 84 7.178 -32.148 22.723 1.00 64.24 ATOM 1379 CB ASN 84 7.720 -34.036 23.585 1.00 22.44 ATOM 1380 HB1 ASN 84 8.250 -33.694 24.464 1.00 38.34 ATOM 1381 HB2 ASN 84 8.170 -34.955 23.237 1.00 14.31 ATOM 1382 CG ASN 84 6.280 -34.322 23.976 1.00 54.34 ATOM 1383 OD1 ASN 84 5.726 -33.684 24.866 1.00 42.02 ATOM 1384 ND2 ASN 84 5.663 -35.283 23.327 1.00 1.41 ATOM 1385 HD21 ASN 84 6.156 -35.763 22.634 1.00 54.13 ATOM 1386 HD22 ASN 84 4.736 -35.477 23.569 1.00 32.05 ATOM 1387 C ASN 84 9.277 -32.435 22.427 1.00 31.04 ATOM 1388 O ASN 84 9.579 -31.374 22.972 1.00 54.05 ATOM 1389 N LYS 85 10.160 -33.176 21.760 1.00 62.23 ATOM 1390 HN LYS 85 9.861 -34.018 21.356 1.00 38.34 ATOM 1391 CA LYS 85 11.567 -32.777 21.619 1.00 21.21 ATOM 1392 HA LYS 85 11.928 -32.488 22.597 1.00 34.51 ATOM 1393 CB LYS 85 12.402 -33.966 21.114 1.00 70.25 ATOM 1394 HB1 LYS 85 13.406 -33.624 20.906 1.00 38.34 ATOM 1395 HB2 LYS 85 11.960 -34.325 20.195 1.00 44.32 ATOM 1396 CG LYS 85 12.489 -35.147 22.086 1.00 25.22 ATOM 1397 HG1 LYS 85 12.564 -36.062 21.513 1.00 38.34 ATOM 1398 HG2 LYS 85 11.587 -35.178 22.680 1.00 4.40 ATOM 1399 CD LYS 85 13.691 -35.063 23.031 1.00 41.13 ATOM 1400 HD1 LYS 85 14.599 -35.084 22.442 1.00 38.34 ATOM 1401 HD2 LYS 85 13.675 -35.920 23.687 1.00 64.13 ATOM 1402 CE LYS 85 13.688 -33.800 23.884 1.00 14.43 ATOM 1403 HE1 LYS 85 12.700 -33.653 24.288 1.00 38.34 ATOM 1404 HE2 LYS 85 13.947 -32.958 23.257 1.00 14.44 ATOM 1405 NZ LYS 85 14.665 -33.883 25.001 1.00 44.34 ATOM 1406 HZ1 LYS 85 14.441 -34.696 25.614 1.00 24.12 ATOM 1407 HZ2 LYS 85 14.629 -33.016 25.572 1.00 11.42 ATOM 1408 HZ3 LYS 85 15.629 -33.998 24.630 1.00 24.43 ATOM 1409 C LYS 85 11.731 -31.581 20.664 1.00 15.52 ATOM 1410 O LYS 85 12.786 -30.944 20.634 1.00 33.10 ATOM 1411 N LYS 86 10.694 -31.308 19.863 1.00 40.21 ATOM 1412 HN LYS 86 9.920 -31.912 19.875 1.00 38.34 ATOM 1413 CA LYS 86 10.665 -30.137 18.967 1.00 35.14 ATOM 1414 HA LYS 86 9.722 -30.156 18.440 1.00 61.54 ATOM 1415 CB LYS 86 10.738 -28.840 19.797 1.00 5.10 ATOM 1416 HB1 LYS 86 10.764 -27.993 19.123 1.00 38.34 ATOM 1417 HB2 LYS 86 11.652 -28.851 20.375 1.00 2.02 ATOM 1418 CG LYS 86 9.568 -28.648 20.762 1.00 4.35 ATOM 1419 HG1 LYS 86 9.771 -27.793 21.392 1.00 38.34 ATOM 1420 HG2 LYS 86 9.475 -29.532 21.378 1.00 55.02 ATOM 1421 CD LYS 86 8.247 -28.420 20.027 1.00 43.42 ATOM 1422 HD1 LYS 86 7.457 -28.302 20.757 1.00 38.34 ATOM 1423 HD2 LYS 86 8.037 -29.279 19.406 1.00 22.20 ATOM 1424 CE LYS 86 8.299 -27.174 19.150 1.00 74.31 ATOM 1425 HE1 LYS 86 9.040 -27.321 18.377 1.00 38.34 ATOM 1426 HE2 LYS 86 8.585 -26.331 19.762 1.00 22.51 ATOM 1427 NZ LYS 86 6.989 -26.881 18.514 1.00 43.42 ATOM 1428 HZ1 LYS 86 7.070 -26.045 17.898 1.00 4.23 ATOM 1429 HZ2 LYS 86 6.275 -26.686 19.243 1.00 71.42 ATOM 1430 HZ3 LYS 86 6.673 -27.689 17.946 1.00 2.14 ATOM 1431 C LYS 86 11.803 -30.153 17.926 1.00 74.31 ATOM 1432 O LYS 86 12.023 -29.164 17.221 1.00 32.04 ATOM 1433 N LEU 87 12.495 -31.285 17.795 1.00 60.04 ATOM 1434 HN LEU 87 12.199 -32.081 18.282 1.00 38.34 ATOM 1435 CA LEU 87 13.688 -31.364 16.938 1.00 60.23 ATOM 1436 HA LEU 87 14.170 -30.393 16.967 1.00 22.32 ATOM 1437 CB LEU 87 14.681 -32.415 17.490 1.00 71.14 ATOM 1438 HB1 LEU 87 14.687 -32.330 18.569 1.00 38.34 ATOM 1439 HB2 LEU 87 15.668 -32.163 17.133 1.00 75.34 ATOM 1440 CG LEU 87 14.410 -33.891 17.134 1.00 34.44 ATOM 1441 HG LEU 87 14.422 -33.999 16.058 1.00 23.32 ATOM 1442 CD1 LEU 87 15.508 -34.789 17.697 1.00 43.01 ATOM 1443 HD11 LEU 87 15.310 -35.816 17.425 1.00 13.14 ATOM 1444 HD12 LEU 87 15.534 -34.699 18.773 1.00 21.51 ATOM 1445 HD13 LEU 87 16.461 -34.488 17.288 1.00 42.32 ATOM 1446 CD2 LEU 87 13.044 -34.341 17.633 1.00 43.42 ATOM 1447 HD21 LEU 87 12.273 -33.752 17.157 1.00 13.11 ATOM 1448 HD22 LEU 87 12.990 -34.206 18.701 1.00 44.14 ATOM 1449 HD23 LEU 87 12.898 -35.384 17.394 1.00 72.04 ATOM 1450 C LEU 87 13.326 -31.659 15.468 1.00 75.12 ATOM 1451 O LEU 87 14.099 -32.280 14.737 1.00 20.44 ATOM 1452 N TRP 88 12.168 -31.161 15.019 1.00 71.24 ATOM 1453 HN TRP 88 11.584 -30.680 15.639 1.00 38.34 ATOM 1454 CA TRP 88 11.750 -31.320 13.615 1.00 41.55 ATOM 1455 HA TRP 88 11.614 -32.379 13.440 1.00 33.21 ATOM 1456 CB TRP 88 10.416 -30.606 13.350 1.00 23.03 ATOM 1457 HB1 TRP 88 10.270 -30.512 12.279 1.00 38.34 ATOM 1458 HB2 TRP 88 10.450 -29.620 13.788 1.00 62.45 ATOM 1459 CG TRP 88 9.224 -31.330 13.922 1.00 11.31 ATOM 1460 CD1 TRP 88 8.493 -30.985 15.026 1.00 31.10 ATOM 1461 HD1 TRP 88 8.686 -30.116 15.638 1.00 63.32 ATOM 1462 CD2 TRP 88 8.632 -32.532 13.412 1.00 5.03 ATOM 1463 NE1 TRP 88 7.486 -31.897 15.227 1.00 65.51 ATOM 1464 HE1 TRP 88 6.830 -31.869 15.952 1.00 1.34 ATOM 1465 CE2 TRP 88 7.551 -32.856 14.251 1.00 73.32 ATOM 1466 CE3 TRP 88 8.912 -33.364 12.323 1.00 34.13 ATOM 1467 HE3 TRP 88 9.733 -33.152 11.655 1.00 64.14 ATOM 1468 CZ2 TRP 88 6.754 -33.978 14.037 1.00 13.53 ATOM 1469 HZ2 TRP 88 5.926 -34.223 14.684 1.00 25.23 ATOM 1470 CZ3 TRP 88 8.121 -34.476 12.113 1.00 71.12 ATOM 1471 HZ3 TRP 88 8.328 -35.133 11.280 1.00 45.55 ATOM 1472 CH2 TRP 88 7.052 -34.774 12.965 1.00 25.51 ATOM 1473 HH2 TRP 88 6.461 -35.658 12.765 1.00 63.12 ATOM 1474 C TRP 88 12.825 -30.810 12.642 1.00 53.53 ATOM 1475 O TRP 88 12.849 -31.200 11.476 1.00 4.41 ATOM 1476 N ARG 89 13.714 -29.942 13.127 1.00 24.34 ATOM 1477 HN ARG 89 13.586 -29.587 14.030 1.00 38.34 ATOM 1478 CA ARG 89 14.874 -29.508 12.342 1.00 73.13 ATOM 1479 HA ARG 89 14.503 -29.004 11.460 1.00 12.33 ATOM 1480 CB ARG 89 15.741 -28.529 13.146 1.00 73.12 ATOM 1481 HB1 ARG 89 16.635 -28.308 12.579 1.00 38.34 ATOM 1482 HB2 ARG 89 16.025 -28.998 14.079 1.00 60.42 ATOM 1483 CG ARG 89 15.038 -27.214 13.463 1.00 15.41 ATOM 1484 HG1 ARG 89 14.276 -27.398 14.208 1.00 38.34 ATOM 1485 HG2 ARG 89 14.575 -26.840 12.565 1.00 72.22 ATOM 1486 CD ARG 89 16.008 -26.166 13.998 1.00 1.12 ATOM 1487 HD1 ARG 89 16.883 -26.145 13.363 1.00 38.34 ATOM 1488 HD2 ARG 89 16.301 -26.442 15.001 1.00 61.03 ATOM 1489 NE ARG 89 15.411 -24.831 14.024 1.00 4.34 ATOM 1490 HE ARG 89 14.787 -24.601 13.305 1.00 74.42 ATOM 1491 CZ ARG 89 15.672 -23.924 14.926 1.00 70.31 ATOM 1492 NH1 ARG 89 16.484 -24.171 15.904 1.00 4.04 ATOM 1493 HH11 ARG 89 16.923 -25.064 15.976 1.00 31.12 ATOM 1494 HH12 ARG 89 16.662 -23.472 16.589 1.00 64.25 ATOM 1495 NH2 ARG 89 15.113 -22.763 14.844 1.00 11.10 ATOM 1496 HH21 ARG 89 14.483 -22.564 14.096 1.00 43.25 ATOM 1497 HH22 ARG 89 15.310 -22.067 15.531 1.00 11.22 ATOM 1498 C ARG 89 15.712 -30.716 11.901 1.00 64.35 ATOM 1499 O ARG 89 16.113 -30.810 10.746 1.00 12.10 ATOM 1500 N GLU 90 15.946 -31.646 12.829 1.00 64.24 ATOM 1501 HN GLU 90 15.619 -31.495 13.741 1.00 38.34 ATOM 1502 CA GLU 90 16.673 -32.889 12.531 1.00 53.33 ATOM 1503 HA GLU 90 17.644 -32.620 12.139 1.00 74.54 ATOM 1504 CB GLU 90 16.863 -33.713 13.814 1.00 43.34 ATOM 1505 HB1 GLU 90 17.286 -34.674 13.552 1.00 38.34 ATOM 1506 HB2 GLU 90 15.896 -33.873 14.272 1.00 2.34 ATOM 1507 CG GLU 90 17.774 -33.057 14.842 1.00 14.33 ATOM 1508 HG1 GLU 90 17.749 -33.643 15.752 1.00 38.34 ATOM 1509 HG2 GLU 90 17.405 -32.062 15.049 1.00 31.12 ATOM 1510 CD GLU 90 19.212 -32.959 14.364 1.00 42.42 ATOM 1511 OE1 GLU 90 19.622 -31.874 13.896 1.00 23.13 ATOM 1512 OE2 GLU 90 19.939 -33.975 14.448 1.00 61.32 ATOM 1513 C GLU 90 15.933 -33.735 11.486 1.00 63.03 ATOM 1514 O GLU 90 16.546 -34.304 10.581 1.00 42.52 ATOM 1515 N ILE 91 14.612 -33.808 11.622 1.00 54.41 ATOM 1516 HN ILE 91 14.184 -33.318 12.356 1.00 38.34 ATOM 1517 CA ILE 91 13.779 -34.591 10.704 1.00 35.22 ATOM 1518 HA ILE 91 14.166 -35.603 10.680 1.00 14.34 ATOM 1519 CB ILE 91 12.308 -34.640 11.195 1.00 11.35 ATOM 1520 HB ILE 91 11.892 -33.645 11.107 1.00 32.31 ATOM 1521 CG1 ILE 91 12.242 -35.077 12.670 1.00 15.44 ATOM 1522 HG11 ILE 91 11.208 -35.096 12.987 1.00 38.34 ATOM 1523 HG12 ILE 91 12.780 -34.362 13.274 1.00 24.22 ATOM 1524 CG2 ILE 91 11.476 -35.575 10.319 1.00 34.44 ATOM 1525 HG21 ILE 91 10.453 -35.584 10.671 1.00 15.32 ATOM 1526 HG22 ILE 91 11.881 -36.576 10.369 1.00 54.00 ATOM 1527 HG23 ILE 91 11.500 -35.229 9.296 1.00 35.31 ATOM 1528 CD1 ILE 91 12.836 -36.444 12.939 1.00 65.14 ATOM 1529 HD11 ILE 91 13.886 -36.438 12.685 1.00 5.52 ATOM 1530 HD12 ILE 91 12.326 -37.185 12.340 1.00 30.03 ATOM 1531 HD13 ILE 91 12.721 -36.687 13.985 1.00 64.44 ATOM 1532 C ILE 91 13.821 -34.002 9.284 1.00 24.03 ATOM 1533 O ILE 91 14.146 -34.693 8.316 1.00 75.21 ATOM 1534 N THR 92 13.509 -32.713 9.179 1.00 53.25 ATOM 1535 HN THR 92 13.217 -32.232 9.980 1.00 38.34 ATOM 1536 CA THR 92 13.559 -31.991 7.898 1.00 24.11 ATOM 1537 HA THR 92 12.885 -32.485 7.208 1.00 15.42 ATOM 1538 CB THR 92 13.102 -30.516 8.070 1.00 11.21 ATOM 1539 HB THR 92 13.935 -29.934 8.432 1.00 11.44 ATOM 1540 OG1 THR 92 12.028 -30.437 9.020 1.00 2.43 ATOM 1541 HG1 THR 92 12.374 -30.157 9.874 1.00 1.33 ATOM 1542 CG2 THR 92 12.630 -29.919 6.751 1.00 15.21 ATOM 1543 HG21 THR 92 11.817 -30.511 6.357 1.00 72.21 ATOM 1544 HG22 THR 92 13.446 -29.911 6.046 1.00 61.24 ATOM 1545 HG23 THR 92 12.289 -28.907 6.916 1.00 11.34 ATOM 1546 C THR 92 14.984 -32.012 7.316 1.00 42.01 ATOM 1547 O THR 92 15.178 -32.127 6.103 1.00 13.51 ATOM 1548 N LYS 93 15.980 -31.914 8.199 1.00 63.41 ATOM 1549 HN LYS 93 15.760 -31.791 9.145 1.00 38.34 ATOM 1550 CA LYS 93 17.393 -31.977 7.805 1.00 41.02 ATOM 1551 HA LYS 93 17.549 -31.261 7.010 1.00 53.44 ATOM 1552 CB LYS 93 18.296 -31.609 8.994 1.00 54.30 ATOM 1553 HB1 LYS 93 18.219 -32.387 9.740 1.00 38.34 ATOM 1554 HB2 LYS 93 17.948 -30.679 9.424 1.00 72.30 ATOM 1555 CG LYS 93 19.765 -31.442 8.631 1.00 2.42 ATOM 1556 HG1 LYS 93 20.096 -32.320 8.094 1.00 38.34 ATOM 1557 HG2 LYS 93 20.340 -31.338 9.541 1.00 54.33 ATOM 1558 CD LYS 93 19.993 -30.212 7.760 1.00 4.12 ATOM 1559 HD1 LYS 93 19.715 -29.330 8.322 1.00 38.34 ATOM 1560 HD2 LYS 93 19.373 -30.286 6.878 1.00 21.32 ATOM 1561 CE LYS 93 21.448 -30.085 7.328 1.00 53.15 ATOM 1562 HE1 LYS 93 21.567 -29.157 6.784 1.00 38.34 ATOM 1563 HE2 LYS 93 21.696 -30.913 6.682 1.00 24.52 ATOM 1564 NZ LYS 93 22.379 -30.083 8.490 1.00 44.21 ATOM 1565 HZ1 LYS 93 22.295 -30.973 9.022 1.00 44.50 ATOM 1566 HZ2 LYS 93 22.157 -29.291 9.124 1.00 23.12 ATOM 1567 HZ3 LYS 93 23.361 -29.982 8.158 1.00 63.12 ATOM 1568 C LYS 93 17.767 -33.377 7.290 1.00 65.45 ATOM 1569 O LYS 93 18.666 -33.526 6.464 1.00 1.05 ATOM 1570 N GLY 94 17.074 -34.401 7.789 1.00 24.25 ATOM 1571 HN GLY 94 16.403 -34.233 8.485 1.00 38.34 ATOM 1572 CA GLY 94 17.303 -35.766 7.321 1.00 74.11 ATOM 1573 HA1 GLY 94 16.703 -36.441 7.913 1.00 38.34 ATOM 1574 HA2 GLY 94 18.345 -36.015 7.458 1.00 21.10 ATOM 1575 C GLY 94 16.944 -35.949 5.850 1.00 13.45 ATOM 1576 O GLY 94 17.388 -36.896 5.199 1.00 14.42 ATOM 1577 N LEU 95 16.132 -35.033 5.328 1.00 32.45 ATOM 1578 HN LEU 95 15.743 -34.354 5.919 1.00 38.34 ATOM 1579 CA LEU 95 15.785 -35.012 3.906 1.00 62.13 ATOM 1580 HA LEU 95 15.915 -36.010 3.511 1.00 42.12 ATOM 1581 CB LEU 95 14.316 -34.587 3.739 1.00 54.31 ATOM 1582 HB1 LEU 95 14.051 -34.677 2.694 1.00 38.34 ATOM 1583 HB2 LEU 95 14.233 -33.548 4.024 1.00 13.23 ATOM 1584 CG LEU 95 13.296 -35.387 4.565 1.00 51.31 ATOM 1585 HG LEU 95 13.517 -35.257 5.616 1.00 12.42 ATOM 1586 CD1 LEU 95 11.881 -34.868 4.325 1.00 41.32 ATOM 1587 HD11 LEU 95 11.822 -33.832 4.625 1.00 4.12 ATOM 1588 HD12 LEU 95 11.178 -35.449 4.905 1.00 62.44 ATOM 1589 HD13 LEU 95 11.637 -34.951 3.275 1.00 4.02 ATOM 1590 CD2 LEU 95 13.388 -36.875 4.249 1.00 55.52 ATOM 1591 HD21 LEU 95 12.645 -37.412 4.821 1.00 31.51 ATOM 1592 HD22 LEU 95 14.372 -37.239 4.510 1.00 45.04 ATOM 1593 HD23 LEU 95 13.213 -37.035 3.195 1.00 20.35 ATOM 1594 C LEU 95 16.713 -34.046 3.142 1.00 2.22 ATOM 1595 O LEU 95 16.545 -33.819 1.941 1.00 41.41 ATOM 1596 N ASN 96 17.698 -33.499 3.866 1.00 4.25 ATOM 1597 HN ASN 96 17.787 -33.771 4.801 1.00 38.34 ATOM 1598 CA ASN 96 18.665 -32.527 3.330 1.00 44.33 ATOM 1599 HA ASN 96 19.362 -32.308 4.125 1.00 34.55 ATOM 1600 CB ASN 96 19.445 -33.146 2.156 1.00 41.41 ATOM 1601 HB1 ASN 96 18.816 -33.152 1.277 1.00 38.34 ATOM 1602 HB2 ASN 96 19.710 -34.163 2.406 1.00 50.42 ATOM 1603 CG ASN 96 20.723 -32.387 1.830 1.00 3.30 ATOM 1604 OD1 ASN 96 20.756 -31.540 0.943 1.00 3.24 ATOM 1605 ND2 ASN 96 21.785 -32.679 2.553 1.00 25.33 ATOM 1606 HD21 ASN 96 21.696 -33.358 3.256 1.00 23.14 ATOM 1607 HD22 ASN 96 22.620 -32.206 2.359 1.00 32.41 ATOM 1608 C ASN 96 17.977 -31.207 2.927 1.00 41.41 ATOM 1609 O ASN 96 18.489 -30.438 2.114 1.00 13.44 ATOM 1610 N LEU 97 16.832 -30.932 3.547 1.00 51.35 ATOM 1611 HN LEU 97 16.492 -31.562 4.216 1.00 38.34 ATOM 1612 CA LEU 97 16.063 -29.713 3.269 1.00 35.51 ATOM 1613 HA LEU 97 16.166 -29.478 2.219 1.00 12.45 ATOM 1614 CB LEU 97 14.582 -29.948 3.588 1.00 73.43 ATOM 1615 HB1 LEU 97 14.031 -29.053 3.334 1.00 38.34 ATOM 1616 HB2 LEU 97 14.493 -30.111 4.653 1.00 61.35 ATOM 1617 CG LEU 97 13.928 -31.134 2.872 1.00 15.31 ATOM 1618 HG LEU 97 14.446 -32.038 3.155 1.00 75.21 ATOM 1619 CD1 LEU 97 12.472 -31.278 3.305 1.00 32.43 ATOM 1620 HD11 LEU 97 12.036 -32.142 2.825 1.00 64.14 ATOM 1621 HD12 LEU 97 11.921 -30.393 3.022 1.00 11.13 ATOM 1622 HD13 LEU 97 12.428 -31.401 4.380 1.00 33.22 ATOM 1623 CD2 LEU 97 14.038 -30.984 1.357 1.00 44.43 ATOM 1624 HD21 LEU 97 15.078 -30.909 1.075 1.00 62.42 ATOM 1625 HD22 LEU 97 13.514 -30.093 1.042 1.00 32.40 ATOM 1626 HD23 LEU 97 13.600 -31.848 0.878 1.00 12.23 ATOM 1627 C LEU 97 16.567 -28.527 4.106 1.00 40.32 ATOM 1628 O LEU 97 17.150 -28.714 5.178 1.00 74.41 ATOM 1629 N PRO 98 16.349 -27.287 3.632 1.00 21.53 ATOM 1630 CA PRO 98 16.667 -26.084 4.411 1.00 20.41 ATOM 1631 HA PRO 98 17.660 -26.142 4.839 1.00 61.45 ATOM 1632 CB PRO 98 16.623 -24.967 3.360 1.00 1.10 ATOM 1633 HB1 PRO 98 17.609 -24.823 2.943 1.00 38.34 ATOM 1634 HB2 PRO 98 16.283 -24.047 3.817 1.00 1.03 ATOM 1635 CG PRO 98 15.660 -25.454 2.329 1.00 74.24 ATOM 1636 HG1 PRO 98 15.910 -25.035 1.365 1.00 38.34 ATOM 1637 HG2 PRO 98 14.652 -25.176 2.607 1.00 32.31 ATOM 1638 CD PRO 98 15.798 -26.957 2.298 1.00 21.12 ATOM 1639 HD1 PRO 98 16.478 -27.258 1.516 1.00 38.34 ATOM 1640 HD2 PRO 98 14.832 -27.422 2.155 1.00 43.20 ATOM 1641 C PRO 98 15.641 -25.827 5.533 1.00 23.41 ATOM 1642 O PRO 98 14.488 -25.484 5.270 1.00 34.01 ATOM 1643 N THR 99 16.068 -25.972 6.788 1.00 53.32 ATOM 1644 HN THR 99 17.004 -26.226 6.946 1.00 38.34 ATOM 1645 CA THR 99 15.172 -25.783 7.948 1.00 13.11 ATOM 1646 HA THR 99 14.290 -26.387 7.776 1.00 61.53 ATOM 1647 CB THR 99 15.838 -26.282 9.259 1.00 21.41 ATOM 1648 HB THR 99 16.027 -27.342 9.159 1.00 51.13 ATOM 1649 OG1 THR 99 14.966 -26.080 10.385 1.00 34.13 ATOM 1650 HG1 THR 99 14.806 -25.136 10.505 1.00 2.43 ATOM 1651 CG2 THR 99 17.170 -25.581 9.508 1.00 32.11 ATOM 1652 HG21 THR 99 17.841 -25.775 8.682 1.00 63.45 ATOM 1653 HG22 THR 99 17.610 -25.957 10.421 1.00 5.52 ATOM 1654 HG23 THR 99 17.009 -24.516 9.599 1.00 35.42 ATOM 1655 C THR 99 14.726 -24.314 8.116 1.00 5.41 ATOM 1656 O THR 99 14.075 -23.958 9.099 1.00 2.02 ATOM 1657 N SER 100 15.066 -23.469 7.142 1.00 32.44 ATOM 1658 HN SER 100 15.630 -23.794 6.414 1.00 38.34 ATOM 1659 CA SER 100 14.632 -22.062 7.131 1.00 53.23 ATOM 1660 HA SER 100 14.687 -21.692 8.146 1.00 32.13 ATOM 1661 CB SER 100 15.575 -21.225 6.248 1.00 45.22 ATOM 1662 HB1 SER 100 15.573 -21.626 5.244 1.00 38.34 ATOM 1663 HB2 SER 100 16.576 -21.276 6.649 1.00 41.21 ATOM 1664 OG SER 100 15.182 -19.857 6.193 1.00 13.44 ATOM 1665 HG SER 100 14.470 -19.698 6.832 1.00 2.04 ATOM 1666 C SER 100 13.181 -21.916 6.632 1.00 73.35 ATOM 1667 O SER 100 12.644 -20.808 6.572 1.00 4.12 ATOM 1668 N ILE 101 12.559 -23.037 6.259 1.00 54.12 ATOM 1669 HN ILE 101 13.059 -23.879 6.261 1.00 38.34 ATOM 1670 CA ILE 101 11.150 -23.047 5.841 1.00 14.00 ATOM 1671 HA ILE 101 11.034 -22.321 5.046 1.00 4.42 ATOM 1672 CB ILE 101 10.740 -24.442 5.294 1.00 33.21 ATOM 1673 HB ILE 101 10.878 -25.167 6.084 1.00 2.53 ATOM 1674 CG1 ILE 101 11.634 -24.829 4.097 1.00 1.44 ATOM 1675 HG11 ILE 101 12.672 -24.708 4.374 1.00 38.34 ATOM 1676 HG12 ILE 101 11.413 -24.176 3.265 1.00 73.01 ATOM 1677 CG2 ILE 101 9.262 -24.457 4.892 1.00 43.40 ATOM 1678 HG21 ILE 101 8.650 -24.238 5.756 1.00 13.45 ATOM 1679 HG22 ILE 101 9.000 -25.434 4.508 1.00 71.53 ATOM 1680 HG23 ILE 101 9.085 -23.713 4.129 1.00 72.34 ATOM 1681 CD1 ILE 101 11.445 -26.255 3.616 1.00 52.23 ATOM 1682 HD11 ILE 101 12.117 -26.449 2.792 1.00 74.35 ATOM 1683 HD12 ILE 101 10.425 -26.393 3.289 1.00 42.42 ATOM 1684 HD13 ILE 101 11.659 -26.939 4.423 1.00 74.43 ATOM 1685 C ILE 101 10.229 -22.655 7.013 1.00 51.41 ATOM 1686 O ILE 101 10.333 -23.212 8.108 1.00 42.41 ATOM 1687 N THR 102 9.324 -21.707 6.762 1.00 63.22 ATOM 1688 HN THR 102 9.218 -21.397 5.836 1.00 38.34 ATOM 1689 CA THR 102 8.487 -21.091 7.812 1.00 20.13 ATOM 1690 HA THR 102 9.122 -20.425 8.378 1.00 44.43 ATOM 1691 CB THR 102 7.347 -20.241 7.192 1.00 74.10 ATOM 1692 HB THR 102 6.650 -20.907 6.700 1.00 21.30 ATOM 1693 OG1 THR 102 7.886 -19.332 6.220 1.00 3.24 ATOM 1694 HG1 THR 102 7.202 -18.699 5.962 1.00 2.52 ATOM 1695 CG2 THR 102 6.593 -19.452 8.263 1.00 2.54 ATOM 1696 HG21 THR 102 5.810 -18.871 7.798 1.00 50.45 ATOM 1697 HG22 THR 102 7.278 -18.789 8.773 1.00 14.33 ATOM 1698 HG23 THR 102 6.157 -20.136 8.978 1.00 14.55 ATOM 1699 C THR 102 7.867 -22.117 8.782 1.00 52.00 ATOM 1700 O THR 102 8.282 -22.222 9.939 1.00 14.21 ATOM 1701 N SER 103 6.876 -22.873 8.311 1.00 51.42 ATOM 1702 HN SER 103 6.618 -22.789 7.369 1.00 38.34 ATOM 1703 CA SER 103 6.154 -23.828 9.170 1.00 22.42 ATOM 1704 HA SER 103 6.511 -23.698 10.182 1.00 3.42 ATOM 1705 CB SER 103 4.646 -23.524 9.144 1.00 73.14 ATOM 1706 HB1 SER 103 4.119 -24.264 9.731 1.00 38.34 ATOM 1707 HB2 SER 103 4.290 -23.557 8.124 1.00 72.42 ATOM 1708 OG SER 103 4.369 -22.236 9.681 1.00 51.41 ATOM 1709 HG SER 103 5.004 -22.034 10.381 1.00 72.25 ATOM 1710 C SER 103 6.407 -25.285 8.753 1.00 71.13 ATOM 1711 O SER 103 5.493 -26.111 8.772 1.00 54.42 ATOM 1712 N ALA 104 7.658 -25.605 8.417 1.00 51.44 ATOM 1713 HN ALA 104 8.350 -24.910 8.441 1.00 38.34 ATOM 1714 CA ALA 104 8.036 -26.973 8.025 1.00 72.13 ATOM 1715 HA ALA 104 7.513 -27.211 7.108 1.00 13.32 ATOM 1716 CB ALA 104 9.534 -27.044 7.749 1.00 1.44 ATOM 1717 HB1 ALA 104 9.802 -26.300 7.014 1.00 42.33 ATOM 1718 HB2 ALA 104 9.788 -28.026 7.375 1.00 44.14 ATOM 1719 HB3 ALA 104 10.079 -26.858 8.664 1.00 13.31 ATOM 1720 C ALA 104 7.645 -27.997 9.103 1.00 51.13 ATOM 1721 O ALA 104 7.038 -29.030 8.808 1.00 4.42 ATOM 1722 N ALA 105 7.980 -27.687 10.358 1.00 2.01 ATOM 1723 HN ALA 105 8.465 -26.849 10.524 1.00 38.34 ATOM 1724 CA ALA 105 7.656 -28.555 11.497 1.00 30.24 ATOM 1725 HA ALA 105 8.160 -29.502 11.350 1.00 11.44 ATOM 1726 CB ALA 105 8.184 -27.932 12.784 1.00 41.35 ATOM 1727 HB1 ALA 105 7.691 -26.987 12.959 1.00 33.51 ATOM 1728 HB2 ALA 105 9.249 -27.770 12.695 1.00 22.11 ATOM 1729 HB3 ALA 105 7.992 -28.598 13.615 1.00 22.23 ATOM 1730 C ALA 105 6.144 -28.804 11.611 1.00 30.30 ATOM 1731 O ALA 105 5.702 -29.900 11.962 1.00 44.12 ATOM 1732 N PHE 106 5.361 -27.775 11.304 1.00 1.52 ATOM 1733 HN PHE 106 5.776 -26.934 11.025 1.00 38.34 ATOM 1734 CA PHE 106 3.899 -27.863 11.355 1.00 73.02 ATOM 1735 HA PHE 106 3.624 -28.268 12.320 1.00 65.04 ATOM 1736 CB PHE 106 3.293 -26.457 11.216 1.00 61.11 ATOM 1737 HB1 PHE 106 3.645 -26.013 10.295 1.00 38.34 ATOM 1738 HB2 PHE 106 3.622 -25.849 12.046 1.00 3.42 ATOM 1739 CG PHE 106 1.785 -26.433 11.200 1.00 34.41 ATOM 1740 CD1 PHE 106 1.093 -25.971 10.087 1.00 11.12 ATOM 1741 HD1 PHE 106 1.645 -25.622 9.225 1.00 40.02 ATOM 1742 CD2 PHE 106 1.059 -26.876 12.295 1.00 35.45 ATOM 1743 HD2 PHE 106 1.587 -27.239 13.167 1.00 2.44 ATOM 1744 CE1 PHE 106 -0.288 -25.954 10.071 1.00 73.13 ATOM 1745 HE1 PHE 106 -0.815 -25.592 9.199 1.00 60.34 ATOM 1746 CE2 PHE 106 -0.322 -26.860 12.284 1.00 55.24 ATOM 1747 HE2 PHE 106 -0.874 -27.207 13.146 1.00 32.53 ATOM 1748 CZ PHE 106 -0.997 -26.398 11.171 1.00 34.04 ATOM 1749 HZ PHE 106 -2.077 -26.386 11.158 1.00 15.00 ATOM 1750 C PHE 106 3.361 -28.796 10.257 1.00 33.13 ATOM 1751 O PHE 106 2.485 -29.627 10.508 1.00 72.01 ATOM 1752 N THR 107 3.893 -28.656 9.047 1.00 14.32 ATOM 1753 HN THR 107 4.574 -27.962 8.902 1.00 38.34 ATOM 1754 CA THR 107 3.486 -29.502 7.916 1.00 63.33 ATOM 1755 HA THR 107 2.416 -29.399 7.792 1.00 11.21 ATOM 1756 CB THR 107 4.171 -29.059 6.600 1.00 65.23 ATOM 1757 HB THR 107 5.239 -29.187 6.710 1.00 51.23 ATOM 1758 OG1 THR 107 3.898 -27.673 6.337 1.00 41.03 ATOM 1759 HG1 THR 107 4.317 -27.417 5.505 1.00 34.11 ATOM 1760 CG2 THR 107 3.700 -29.904 5.419 1.00 0.12 ATOM 1761 HG21 THR 107 2.629 -29.807 5.306 1.00 65.03 ATOM 1762 HG22 THR 107 3.950 -30.941 5.595 1.00 22.32 ATOM 1763 HG23 THR 107 4.188 -29.565 4.518 1.00 12.13 ATOM 1764 C THR 107 3.819 -30.981 8.168 1.00 25.05 ATOM 1765 O THR 107 2.951 -31.849 8.064 1.00 33.21 ATOM 1766 N LEU 108 5.076 -31.258 8.514 1.00 20.40 ATOM 1767 HN LEU 108 5.712 -30.518 8.629 1.00 38.34 ATOM 1768 CA LEU 108 5.538 -32.637 8.733 1.00 50.53 ATOM 1769 HA LEU 108 5.401 -33.178 7.808 1.00 30.30 ATOM 1770 CB LEU 108 7.028 -32.651 9.098 1.00 43.33 ATOM 1771 HB1 LEU 108 7.325 -33.678 9.262 1.00 38.34 ATOM 1772 HB2 LEU 108 7.153 -32.108 10.026 1.00 74.24 ATOM 1773 CG LEU 108 7.976 -32.039 8.053 1.00 51.11 ATOM 1774 HG LEU 108 7.737 -30.991 7.934 1.00 43.22 ATOM 1775 CD1 LEU 108 9.425 -32.133 8.523 1.00 25.23 ATOM 1776 HD11 LEU 108 10.075 -31.678 7.790 1.00 42.04 ATOM 1777 HD12 LEU 108 9.699 -33.171 8.650 1.00 15.51 ATOM 1778 HD13 LEU 108 9.532 -31.616 9.466 1.00 45.44 ATOM 1779 CD2 LEU 108 7.800 -32.717 6.696 1.00 42.44 ATOM 1780 HD21 LEU 108 8.495 -32.291 5.987 1.00 1.42 ATOM 1781 HD22 LEU 108 6.790 -32.563 6.344 1.00 24.32 ATOM 1782 HD23 LEU 108 7.990 -33.777 6.793 1.00 73.44 ATOM 1783 C LEU 108 4.730 -33.342 9.836 1.00 5.23 ATOM 1784 O LEU 108 4.378 -34.516 9.707 1.00 41.24 ATOM 1785 N ARG 109 4.438 -32.615 10.915 1.00 41.14 ATOM 1786 HN ARG 109 4.754 -31.686 10.960 1.00 38.34 ATOM 1787 CA ARG 109 3.675 -33.164 12.045 1.00 50.44 ATOM 1788 HA ARG 109 4.246 -33.986 12.453 1.00 64.54 ATOM 1789 CB ARG 109 3.512 -32.091 13.134 1.00 42.44 ATOM 1790 HB1 ARG 109 2.955 -31.260 12.722 1.00 38.34 ATOM 1791 HB2 ARG 109 4.493 -31.742 13.425 1.00 44.14 ATOM 1792 CG ARG 109 2.789 -32.576 14.389 1.00 61.03 ATOM 1793 HG1 ARG 109 3.291 -33.457 14.767 1.00 38.34 ATOM 1794 HG2 ARG 109 1.769 -32.827 14.132 1.00 64.32 ATOM 1795 CD ARG 109 2.774 -31.507 15.480 1.00 74.12 ATOM 1796 HD1 ARG 109 3.796 -31.248 15.724 1.00 38.34 ATOM 1797 HD2 ARG 109 2.291 -31.913 16.358 1.00 3.15 ATOM 1798 NE ARG 109 2.060 -30.298 15.065 1.00 41.40 ATOM 1799 HE ARG 109 1.290 -30.409 14.476 1.00 31.52 ATOM 1800 CZ ARG 109 2.374 -29.089 15.455 1.00 10.10 ATOM 1801 NH1 ARG 109 3.400 -28.886 16.220 1.00 12.52 ATOM 1802 HH11 ARG 109 3.958 -29.653 16.523 1.00 2.41 ATOM 1803 HH12 ARG 109 3.631 -27.957 16.509 1.00 71.32 ATOM 1804 NH2 ARG 109 1.658 -28.080 15.080 1.00 2.24 ATOM 1805 HH21 ARG 109 0.866 -28.220 14.494 1.00 44.24 ATOM 1806 HH22 ARG 109 1.897 -27.158 15.386 1.00 3.24 ATOM 1807 C ARG 109 2.297 -33.696 11.604 1.00 24.30 ATOM 1808 O ARG 109 1.877 -34.778 12.021 1.00 42.54 ATOM 1809 N THR 110 1.602 -32.933 10.762 1.00 13.14 ATOM 1810 HN THR 110 1.980 -32.072 10.477 1.00 38.34 ATOM 1811 CA THR 110 0.282 -33.339 10.253 1.00 24.21 ATOM 1812 HA THR 110 -0.293 -33.718 11.089 1.00 41.51 ATOM 1813 CB THR 110 -0.489 -32.139 9.648 1.00 32.34 ATOM 1814 HB THR 110 0.110 -31.713 8.854 1.00 44.11 ATOM 1815 OG1 THR 110 -0.706 -31.133 10.651 1.00 41.34 ATOM 1816 HG1 THR 110 -1.458 -31.388 11.204 1.00 4.14 ATOM 1817 CG2 THR 110 -1.833 -32.572 9.063 1.00 63.44 ATOM 1818 HG21 THR 110 -1.670 -33.293 8.275 1.00 25.54 ATOM 1819 HG22 THR 110 -2.346 -31.711 8.660 1.00 30.34 ATOM 1820 HG23 THR 110 -2.438 -33.019 9.840 1.00 75.05 ATOM 1821 C THR 110 0.393 -34.443 9.189 1.00 51.13 ATOM 1822 O THR 110 -0.320 -35.447 9.242 1.00 73.34 ATOM 1823 N GLN 111 1.293 -34.257 8.223 1.00 13.02 ATOM 1824 HN GLN 111 1.872 -33.465 8.256 1.00 38.34 ATOM 1825 CA GLN 111 1.444 -35.209 7.114 1.00 73.31 ATOM 1826 HA GLN 111 0.478 -35.301 6.637 1.00 53.43 ATOM 1827 CB GLN 111 2.447 -34.676 6.080 1.00 13.22 ATOM 1828 HB1 GLN 111 2.556 -35.406 5.289 1.00 38.34 ATOM 1829 HB2 GLN 111 3.406 -34.535 6.561 1.00 62.44 ATOM 1830 CG GLN 111 2.028 -33.347 5.448 1.00 14.31 ATOM 1831 HG1 GLN 111 2.762 -33.072 4.704 1.00 38.34 ATOM 1832 HG2 GLN 111 2.003 -32.589 6.219 1.00 72.52 ATOM 1833 CD GLN 111 0.660 -33.405 4.779 1.00 25.32 ATOM 1834 OE1 GLN 111 0.233 -34.446 4.290 1.00 1.22 ATOM 1835 NE2 GLN 111 -0.039 -32.288 4.745 1.00 44.32 ATOM 1836 HE21 GLN 111 0.350 -31.484 5.144 1.00 61.33 ATOM 1837 HE22 GLN 111 -0.922 -32.313 4.317 1.00 63.14 ATOM 1838 C GLN 111 1.866 -36.604 7.609 1.00 3.41 ATOM 1839 O GLN 111 1.296 -37.615 7.194 1.00 63.11 ATOM 1840 N TYR 112 2.851 -36.657 8.505 1.00 40.43 ATOM 1841 HN TYR 112 3.308 -35.828 8.767 1.00 38.34 ATOM 1842 CA TYR 112 3.270 -37.931 9.106 1.00 54.13 ATOM 1843 HA TYR 112 3.642 -38.565 8.313 1.00 4.25 ATOM 1844 CB TYR 112 4.391 -37.694 10.132 1.00 22.12 ATOM 1845 HB1 TYR 112 3.995 -37.124 10.962 1.00 38.34 ATOM 1846 HB2 TYR 112 5.180 -37.126 9.663 1.00 30.40 ATOM 1847 CG TYR 112 5.004 -38.971 10.693 1.00 42.04 ATOM 1848 CD1 TYR 112 4.408 -39.663 11.746 1.00 22.25 ATOM 1849 HD1 TYR 112 3.488 -39.284 12.170 1.00 61.22 ATOM 1850 CD2 TYR 112 6.185 -39.480 10.168 1.00 70.24 ATOM 1851 HD2 TYR 112 6.663 -38.960 9.350 1.00 25.25 ATOM 1852 CE1 TYR 112 4.972 -40.818 12.254 1.00 32.54 ATOM 1853 HE1 TYR 112 4.493 -41.340 13.070 1.00 64.22 ATOM 1854 CE2 TYR 112 6.751 -40.634 10.672 1.00 11.13 ATOM 1855 HE2 TYR 112 7.670 -41.010 10.250 1.00 50.41 ATOM 1856 CZ TYR 112 6.144 -41.298 11.714 1.00 50.33 ATOM 1857 OH TYR 112 6.712 -42.447 12.218 1.00 63.43 ATOM 1858 HH TYR 112 6.022 -43.086 12.419 1.00 53.31 ATOM 1859 C TYR 112 2.076 -38.623 9.782 1.00 33.21 ATOM 1860 O TYR 112 1.887 -39.834 9.652 1.00 20.12 ATOM 1861 N MET 113 1.271 -37.829 10.486 1.00 4.41 ATOM 1862 HN MET 113 1.483 -36.874 10.538 1.00 38.34 ATOM 1863 CA MET 113 0.081 -38.321 11.188 1.00 51.31 ATOM 1864 HA MET 113 0.404 -39.034 11.930 1.00 5.10 ATOM 1865 CB MET 113 -0.614 -37.150 11.891 1.00 11.30 ATOM 1866 HB1 MET 113 -0.981 -36.463 11.141 1.00 38.34 ATOM 1867 HB2 MET 113 0.110 -36.637 12.507 1.00 41.14 ATOM 1868 CG MET 113 -1.786 -37.554 12.778 1.00 44.42 ATOM 1869 HG1 MET 113 -1.410 -38.133 13.610 1.00 38.34 ATOM 1870 HG2 MET 113 -2.470 -38.158 12.200 1.00 51.54 ATOM 1871 SD MET 113 -2.680 -36.127 13.424 1.00 60.01 ATOM 1872 CE MET 113 -1.339 -35.199 14.164 1.00 42.11 ATOM 1873 HE1 MET 113 -0.613 -34.949 13.406 1.00 13.14 ATOM 1874 HE2 MET 113 -0.868 -35.798 14.930 1.00 72.32 ATOM 1875 HE3 MET 113 -1.729 -34.293 14.603 1.00 22.33 ATOM 1876 C MET 113 -0.907 -39.008 10.227 1.00 60.43 ATOM 1877 O MET 113 -1.566 -39.984 10.589 1.00 53.33 ATOM 1878 N LYS 114 -1.004 -38.484 9.007 1.00 44.14 ATOM 1879 HN LYS 114 -0.445 -37.710 8.779 1.00 38.34 ATOM 1880 CA LYS 114 -1.925 -39.019 7.998 1.00 72.21 ATOM 1881 HA LYS 114 -2.892 -39.147 8.462 1.00 20.32 ATOM 1882 CB LYS 114 -2.063 -38.033 6.829 1.00 1.22 ATOM 1883 HB1 LYS 114 -2.734 -38.463 6.095 1.00 38.34 ATOM 1884 HB2 LYS 114 -1.092 -37.901 6.372 1.00 73.35 ATOM 1885 CG LYS 114 -2.597 -36.658 7.211 1.00 2.04 ATOM 1886 HG1 LYS 114 -1.951 -36.226 7.963 1.00 38.34 ATOM 1887 HG2 LYS 114 -3.595 -36.765 7.609 1.00 23.14 ATOM 1888 CD LYS 114 -2.641 -35.728 6.000 1.00 11.44 ATOM 1889 HD1 LYS 114 -1.635 -35.591 5.625 1.00 38.34 ATOM 1890 HD2 LYS 114 -3.043 -34.773 6.307 1.00 50.32 ATOM 1891 CE LYS 114 -3.515 -36.297 4.884 1.00 24.14 ATOM 1892 HE1 LYS 114 -4.542 -36.304 5.217 1.00 38.34 ATOM 1893 HE2 LYS 114 -3.201 -37.310 4.673 1.00 30.32 ATOM 1894 NZ LYS 114 -3.421 -35.499 3.634 1.00 31.13 ATOM 1895 HZ1 LYS 114 -2.447 -35.519 3.267 1.00 41.44 ATOM 1896 HZ2 LYS 114 -3.689 -34.510 3.816 1.00 5.24 ATOM 1897 HZ3 LYS 114 -4.056 -35.892 2.912 1.00 15.21 ATOM 1898 C LYS 114 -1.455 -40.371 7.436 1.00 4.41 ATOM 1899 O LYS 114 -2.214 -41.341 7.403 1.00 14.03 ATOM 1900 N TYR 115 -0.198 -40.423 6.990 1.00 3.11 ATOM 1901 HN TYR 115 0.409 -39.680 7.195 1.00 38.34 ATOM 1902 CA TYR 115 0.296 -41.561 6.197 1.00 32.00 ATOM 1903 HA TYR 115 -0.563 -42.090 5.810 1.00 13.53 ATOM 1904 CB TYR 115 1.125 -41.040 5.006 1.00 54.33 ATOM 1905 HB1 TYR 115 1.230 -41.831 4.275 1.00 38.34 ATOM 1906 HB2 TYR 115 2.107 -40.752 5.356 1.00 71.11 ATOM 1907 CG TYR 115 0.504 -39.837 4.307 1.00 5.35 ATOM 1908 CD1 TYR 115 -0.649 -39.961 3.537 1.00 20.14 ATOM 1909 HD1 TYR 115 -1.102 -40.932 3.422 1.00 60.12 ATOM 1910 CD2 TYR 115 1.067 -38.570 4.434 1.00 74.12 ATOM 1911 HD2 TYR 115 1.963 -38.451 5.024 1.00 64.54 ATOM 1912 CE1 TYR 115 -1.219 -38.863 2.919 1.00 2.45 ATOM 1913 HE1 TYR 115 -2.115 -38.982 2.327 1.00 13.23 ATOM 1914 CE2 TYR 115 0.503 -37.471 3.816 1.00 22.03 ATOM 1915 HE2 TYR 115 0.957 -36.497 3.930 1.00 55.14 ATOM 1916 CZ TYR 115 -0.639 -37.621 3.062 1.00 33.13 ATOM 1917 OH TYR 115 -1.211 -36.523 2.459 1.00 42.42 ATOM 1918 HH TYR 115 -0.519 -35.971 2.075 1.00 52.35 ATOM 1919 C TYR 115 1.143 -42.548 7.024 1.00 15.45 ATOM 1920 O TYR 115 0.896 -43.753 7.016 1.00 2.13 ATOM 1921 N LEU 116 2.131 -42.034 7.749 1.00 12.20 ATOM 1922 HN LEU 116 2.189 -41.061 7.854 1.00 38.34 ATOM 1923 CA LEU 116 3.137 -42.887 8.402 1.00 44.45 ATOM 1924 HA LEU 116 3.216 -43.800 7.828 1.00 63.43 ATOM 1925 CB LEU 116 4.494 -42.177 8.371 1.00 64.14 ATOM 1926 HB1 LEU 116 5.216 -42.800 8.879 1.00 38.34 ATOM 1927 HB2 LEU 116 4.400 -41.247 8.915 1.00 34.31 ATOM 1928 CG LEU 116 5.034 -41.863 6.964 1.00 74.51 ATOM 1929 HG LEU 116 4.295 -41.291 6.423 1.00 10.15 ATOM 1930 CD1 LEU 116 6.303 -41.022 7.044 1.00 45.31 ATOM 1931 HD11 LEU 116 6.663 -40.815 6.046 1.00 23.42 ATOM 1932 HD12 LEU 116 7.060 -41.562 7.595 1.00 70.43 ATOM 1933 HD13 LEU 116 6.087 -40.092 7.548 1.00 10.50 ATOM 1934 CD2 LEU 116 5.293 -43.150 6.187 1.00 3.43 ATOM 1935 HD21 LEU 116 5.667 -42.907 5.203 1.00 12.52 ATOM 1936 HD22 LEU 116 4.371 -43.706 6.092 1.00 3.43 ATOM 1937 HD23 LEU 116 6.023 -43.751 6.711 1.00 15.14 ATOM 1938 C LEU 116 2.770 -43.256 9.852 1.00 40.04 ATOM 1939 O LEU 116 3.260 -44.252 10.387 1.00 73.24 ATOM 1940 N TYR 117 1.910 -42.457 10.479 1.00 71.02 ATOM 1941 HN TYR 117 1.517 -41.705 9.987 1.00 38.34 ATOM 1942 CA TYR 117 1.525 -42.669 11.886 1.00 63.30 ATOM 1943 HA TYR 117 2.436 -42.636 12.469 1.00 14.50 ATOM 1944 CB TYR 117 0.614 -41.529 12.365 1.00 14.12 ATOM 1945 HB1 TYR 117 -0.143 -41.348 11.615 1.00 38.34 ATOM 1946 HB2 TYR 117 1.208 -40.634 12.485 1.00 70.13 ATOM 1947 CG TYR 117 -0.088 -41.796 13.685 1.00 3.22 ATOM 1948 CD1 TYR 117 -1.472 -41.939 13.737 1.00 11.14 ATOM 1949 HD1 TYR 117 -2.044 -41.856 12.823 1.00 52.41 ATOM 1950 CD2 TYR 117 0.627 -41.909 14.874 1.00 45.11 ATOM 1951 HD2 TYR 117 1.702 -41.800 14.853 1.00 60.12 ATOM 1952 CE1 TYR 117 -2.119 -42.185 14.928 1.00 22.41 ATOM 1953 HE1 TYR 117 -3.194 -42.292 14.946 1.00 33.14 ATOM 1954 CE2 TYR 117 -0.017 -42.156 16.071 1.00 51.10 ATOM 1955 HE2 TYR 117 0.554 -42.243 16.984 1.00 13.23 ATOM 1956 CZ TYR 117 -1.390 -42.293 16.092 1.00 65.33 ATOM 1957 OH TYR 117 -2.038 -42.544 17.279 1.00 35.22 ATOM 1958 HH TYR 117 -1.560 -42.123 17.997 1.00 43.34 ATOM 1959 C TYR 117 0.859 -44.044 12.129 1.00 73.25 ATOM 1960 O TYR 117 1.284 -44.780 13.023 1.00 3.44 ATOM 1961 N PRO 118 -0.188 -44.427 11.355 1.00 73.23 ATOM 1962 CA PRO 118 -0.850 -45.735 11.535 1.00 12.34 ATOM 1963 HA PRO 118 -1.340 -45.793 12.498 1.00 31.24 ATOM 1964 CB PRO 118 -1.909 -45.772 10.414 1.00 4.12 ATOM 1965 HB1 PRO 118 -2.883 -45.554 10.830 1.00 38.34 ATOM 1966 HB2 PRO 118 -1.924 -46.751 9.954 1.00 43.33 ATOM 1967 CG PRO 118 -1.487 -44.719 9.443 1.00 75.43 ATOM 1968 HG1 PRO 118 -2.353 -44.314 8.938 1.00 38.34 ATOM 1969 HG2 PRO 118 -0.795 -45.137 8.725 1.00 11.11 ATOM 1970 CD PRO 118 -0.811 -43.653 10.260 1.00 1.53 ATOM 1971 HD1 PRO 118 -1.535 -42.949 10.647 1.00 38.34 ATOM 1972 HD2 PRO 118 -0.062 -43.140 9.670 1.00 73.31 ATOM 1973 C PRO 118 0.135 -46.910 11.402 1.00 34.21 ATOM 1974 O PRO 118 0.004 -47.931 12.080 1.00 74.20 ATOM 1975 N TYR 119 1.132 -46.749 10.532 1.00 71.43 ATOM 1976 HN TYR 119 1.188 -45.911 10.026 1.00 38.34 ATOM 1977 CA TYR 119 2.150 -47.782 10.317 1.00 12.43 ATOM 1978 HA TYR 119 1.641 -48.735 10.250 1.00 5.24 ATOM 1979 CB TYR 119 2.898 -47.526 9.002 1.00 43.21 ATOM 1980 HB1 TYR 119 3.605 -46.721 9.148 1.00 38.34 ATOM 1981 HB2 TYR 119 2.186 -47.235 8.243 1.00 4.51 ATOM 1982 CG TYR 119 3.660 -48.732 8.483 1.00 63.42 ATOM 1983 CD1 TYR 119 5.045 -48.810 8.587 1.00 43.24 ATOM 1984 HD1 TYR 119 5.583 -47.997 9.051 1.00 30.02 ATOM 1985 CD2 TYR 119 2.987 -49.793 7.882 1.00 51.12 ATOM 1986 HD2 TYR 119 1.910 -49.750 7.794 1.00 23.10 ATOM 1987 CE1 TYR 119 5.735 -49.907 8.106 1.00 51.04 ATOM 1988 HE1 TYR 119 6.810 -49.947 8.196 1.00 70.22 ATOM 1989 CE2 TYR 119 3.671 -50.893 7.402 1.00 21.11 ATOM 1990 HE2 TYR 119 3.129 -51.706 6.939 1.00 71.44 ATOM 1991 CZ TYR 119 5.044 -50.945 7.514 1.00 5.51 ATOM 1992 OH TYR 119 5.728 -52.043 7.039 1.00 0.53 ATOM 1993 HH TYR 119 5.288 -52.371 6.242 1.00 74.33 ATOM 1994 C TYR 119 3.138 -47.834 11.496 1.00 74.43 ATOM 1995 O TYR 119 3.556 -48.916 11.916 1.00 50.23 ATOM 1996 N GLU 120 3.497 -46.659 12.030 1.00 24.05 ATOM 1997 HN GLU 120 3.172 -45.830 11.617 1.00 38.34 ATOM 1998 CA GLU 120 4.375 -46.573 13.208 1.00 65.01 ATOM 1999 HA GLU 120 5.317 -47.041 12.951 1.00 61.34 ATOM 2000 CB GLU 120 4.634 -45.097 13.593 1.00 5.34 ATOM 2001 HB1 GLU 120 3.704 -44.661 13.931 1.00 38.34 ATOM 2002 HB2 GLU 120 4.961 -44.567 12.710 1.00 12.21 ATOM 2003 CG GLU 120 5.694 -44.894 14.691 1.00 70.25 ATOM 2004 HG1 GLU 120 6.382 -44.126 14.365 1.00 38.34 ATOM 2005 HG2 GLU 120 6.240 -45.818 14.820 1.00 13.14 ATOM 2006 CD GLU 120 5.118 -44.484 16.051 1.00 23.14 ATOM 2007 OE1 GLU 120 4.564 -45.356 16.759 1.00 71.21 ATOM 2008 OE2 GLU 120 5.246 -43.292 16.427 1.00 64.31 ATOM 2009 C GLU 120 3.756 -47.326 14.390 1.00 12.03 ATOM 2010 O GLU 120 4.386 -48.206 14.975 1.00 74.24 ATOM 2011 N CYS 121 2.508 -46.992 14.716 1.00 32.51 ATOM 2012 HN CYS 121 2.057 -46.283 14.204 1.00 38.34 ATOM 2013 CA CYS 121 1.791 -47.639 15.825 1.00 42.14 ATOM 2014 HA CYS 121 2.360 -47.460 16.726 1.00 61.51 ATOM 2015 CB CYS 121 0.402 -47.015 15.991 1.00 35.04 ATOM 2016 HB1 CYS 121 -0.134 -47.543 16.766 1.00 38.34 ATOM 2017 HB2 CYS 121 -0.140 -47.105 15.060 1.00 41.41 ATOM 2018 SG CYS 121 0.431 -45.264 16.440 1.00 63.31 ATOM 2019 HG CYS 121 1.701 -44.898 16.585 1.00 74.20 ATOM 2020 C CYS 121 1.653 -49.158 15.625 1.00 21.11 ATOM 2021 O CYS 121 1.725 -49.927 16.584 1.00 30.41 ATOM 2022 N GLU 122 1.450 -49.582 14.380 1.00 44.22 ATOM 2023 HN GLU 122 1.391 -48.924 13.656 1.00 38.34 ATOM 2024 CA GLU 122 1.292 -51.008 14.066 1.00 31.03 ATOM 2025 HA GLU 122 0.566 -51.417 14.757 1.00 32.22 ATOM 2026 CB GLU 122 0.761 -51.184 12.635 1.00 62.42 ATOM 2027 HB1 GLU 122 1.486 -50.780 11.942 1.00 38.34 ATOM 2028 HB2 GLU 122 -0.161 -50.627 12.536 1.00 73.24 ATOM 2029 CG GLU 122 0.484 -52.638 12.247 1.00 3.33 ATOM 2030 HG1 GLU 122 1.363 -53.229 12.469 1.00 38.34 ATOM 2031 HG2 GLU 122 0.288 -52.682 11.184 1.00 12.22 ATOM 2032 CD GLU 122 -0.706 -53.237 12.986 1.00 2.11 ATOM 2033 OE1 GLU 122 -1.800 -53.332 12.390 1.00 0.22 ATOM 2034 OE2 GLU 122 -0.560 -53.604 14.171 1.00 31.53 ATOM 2035 C GLU 122 2.613 -51.787 14.220 1.00 13.13 ATOM 2036 O GLU 122 2.727 -52.684 15.056 1.00 62.01 ATOM 2037 N LYS 123 3.609 -51.435 13.411 1.00 62.42 ATOM 2038 HN LYS 123 3.497 -50.650 12.830 1.00 38.34 ATOM 2039 CA LYS 123 4.870 -52.187 13.360 1.00 62.21 ATOM 2040 HA LYS 123 4.619 -53.238 13.379 1.00 61.32 ATOM 2041 CB LYS 123 5.605 -51.888 12.047 1.00 14.14 ATOM 2042 HB1 LYS 123 6.546 -52.422 12.043 1.00 38.34 ATOM 2043 HB2 LYS 123 5.804 -50.828 11.991 1.00 22.13 ATOM 2044 CG LYS 123 4.824 -52.293 10.800 1.00 73.03 ATOM 2045 HG1 LYS 123 5.399 -52.020 9.925 1.00 38.34 ATOM 2046 HG2 LYS 123 3.881 -51.764 10.789 1.00 54.03 ATOM 2047 CD LYS 123 4.550 -53.796 10.764 1.00 3.21 ATOM 2048 HD1 LYS 123 4.005 -54.077 11.655 1.00 38.34 ATOM 2049 HD2 LYS 123 5.493 -54.324 10.738 1.00 62.31 ATOM 2050 CE LYS 123 3.732 -54.189 9.541 1.00 12.45 ATOM 2051 HE1 LYS 123 4.271 -53.896 8.652 1.00 38.34 ATOM 2052 HE2 LYS 123 2.785 -53.670 9.573 1.00 31.22 ATOM 2053 NZ LYS 123 3.474 -55.652 9.487 1.00 24.12 ATOM 2054 HZ1 LYS 123 2.885 -55.881 8.658 1.00 43.34 ATOM 2055 HZ2 LYS 123 2.977 -55.962 10.345 1.00 73.22 ATOM 2056 HZ3 LYS 123 4.371 -56.173 9.412 1.00 74.21 ATOM 2057 C LYS 123 5.789 -51.891 14.557 1.00 21.40 ATOM 2058 O LYS 123 6.572 -52.746 14.970 1.00 23.25 ATOM 2059 N ARG 124 5.707 -50.682 15.106 1.00 54.31 ATOM 2060 HN ARG 124 5.059 -50.037 14.747 1.00 38.34 ATOM 2061 CA ARG 124 6.560 -50.290 16.238 1.00 2.41 ATOM 2062 HA ARG 124 7.283 -51.080 16.399 1.00 1.51 ATOM 2063 CB ARG 124 7.317 -48.996 15.908 1.00 64.43 ATOM 2064 HB1 ARG 124 7.885 -48.697 16.779 1.00 38.34 ATOM 2065 HB2 ARG 124 6.597 -48.222 15.683 1.00 41.41 ATOM 2066 CG ARG 124 8.283 -49.105 14.726 1.00 35.54 ATOM 2067 HG1 ARG 124 8.665 -48.120 14.499 1.00 38.34 ATOM 2068 HG2 ARG 124 7.744 -49.484 13.869 1.00 22.22 ATOM 2069 CD ARG 124 9.462 -50.038 15.017 1.00 31.14 ATOM 2070 HD1 ARG 124 9.863 -49.794 15.993 1.00 38.34 ATOM 2071 HD2 ARG 124 10.225 -49.872 14.270 1.00 52.23 ATOM 2072 NE ARG 124 9.085 -51.455 14.996 1.00 4.24 ATOM 2073 HE ARG 124 8.341 -51.715 14.417 1.00 62.24 ATOM 2074 CZ ARG 124 9.688 -52.391 15.678 1.00 53.14 ATOM 2075 NH1 ARG 124 10.673 -52.102 16.463 1.00 21.52 ATOM 2076 HH11 ARG 124 10.982 -51.156 16.552 1.00 62.52 ATOM 2077 HH12 ARG 124 11.117 -52.823 16.989 1.00 22.31 ATOM 2078 NH2 ARG 124 9.301 -53.622 15.574 1.00 44.13 ATOM 2079 HH21 ARG 124 8.538 -53.857 14.971 1.00 54.21 ATOM 2080 HH22 ARG 124 9.763 -54.335 16.097 1.00 62.02 ATOM 2081 C ARG 124 5.747 -50.104 17.531 1.00 21.21 ATOM 2082 O ARG 124 5.942 -50.830 18.506 1.00 71.13 ATOM 2083 N GLY 125 4.836 -49.129 17.532 1.00 72.01 ATOM 2084 HN GLY 125 4.676 -48.623 16.710 1.00 38.34 ATOM 2085 CA GLY 125 4.074 -48.809 18.736 1.00 32.33 ATOM 2086 HA1 GLY 125 3.854 -49.723 19.269 1.00 38.34 ATOM 2087 HA2 GLY 125 3.144 -48.339 18.448 1.00 25.42 ATOM 2088 C GLY 125 4.832 -47.866 19.662 1.00 10.34 ATOM 2089 O GLY 125 4.818 -48.029 20.885 1.00 33.24 ATOM 2090 N LEU 126 5.483 -46.867 19.071 1.00 65.31 ATOM 2091 HN LEU 126 5.380 -46.743 18.101 1.00 38.34 ATOM 2092 CA LEU 126 6.329 -45.932 19.817 1.00 60.54 ATOM 2093 HA LEU 126 6.872 -46.495 20.562 1.00 33.33 ATOM 2094 CB LEU 126 7.335 -45.266 18.863 1.00 54.14 ATOM 2095 HB1 LEU 126 7.928 -44.562 19.430 1.00 38.34 ATOM 2096 HB2 LEU 126 6.779 -44.717 18.115 1.00 54.24 ATOM 2097 CG LEU 126 8.296 -46.228 18.141 1.00 14.02 ATOM 2098 HG LEU 126 7.718 -47.001 17.656 1.00 73.54 ATOM 2099 CD1 LEU 126 9.090 -45.494 17.062 1.00 1.01 ATOM 2100 HD11 LEU 126 8.410 -45.083 16.331 1.00 11.03 ATOM 2101 HD12 LEU 126 9.763 -46.185 16.577 1.00 61.53 ATOM 2102 HD13 LEU 126 9.660 -44.693 17.513 1.00 34.40 ATOM 2103 CD2 LEU 126 9.239 -46.898 19.137 1.00 4.13 ATOM 2104 HD21 LEU 126 9.842 -46.146 19.628 1.00 52.13 ATOM 2105 HD22 LEU 126 9.883 -47.590 18.614 1.00 51.21 ATOM 2106 HD23 LEU 126 8.662 -47.434 19.876 1.00 31.51 ATOM 2107 C LEU 126 5.492 -44.857 20.523 1.00 74.40 ATOM 2108 O LEU 126 5.825 -44.422 21.629 1.00 4.41 ATOM 2109 N SER 127 4.402 -44.437 19.883 1.00 42.32 ATOM 2110 HN SER 127 4.165 -44.850 19.023 1.00 38.34 ATOM 2111 CA SER 127 3.555 -43.364 20.423 1.00 4.11 ATOM 2112 HA SER 127 3.945 -43.085 21.392 1.00 62.03 ATOM 2113 CB SER 127 3.601 -42.135 19.502 1.00 41.34 ATOM 2114 HB1 SER 127 3.191 -41.289 20.030 1.00 38.34 ATOM 2115 HB2 SER 127 3.010 -42.319 18.621 1.00 20.30 ATOM 2116 OG SER 127 4.928 -41.815 19.100 1.00 43.35 ATOM 2117 HG SER 127 5.191 -42.410 18.381 1.00 22.25 ATOM 2118 C SER 127 2.089 -43.807 20.591 1.00 51.30 ATOM 2119 O SER 127 1.596 -44.673 19.865 1.00 30.34 ATOM 2120 N ASN 128 1.397 -43.198 21.556 1.00 71.32 ATOM 2121 HN ASN 128 1.866 -42.579 22.153 1.00 38.34 ATOM 2122 CA ASN 128 -0.043 -43.428 21.759 1.00 53.20 ATOM 2123 HA ASN 128 -0.308 -44.360 21.278 1.00 20.50 ATOM 2124 CB ASN 128 -0.380 -43.521 23.253 1.00 72.42 ATOM 2125 HB1 ASN 128 -1.429 -43.753 23.362 1.00 38.34 ATOM 2126 HB2 ASN 128 -0.183 -42.568 23.721 1.00 64.41 ATOM 2127 CG ASN 128 0.418 -44.581 23.979 1.00 34.23 ATOM 2128 OD1 ASN 128 0.038 -45.747 24.027 1.00 53.54 ATOM 2129 ND2 ASN 128 1.516 -44.178 24.575 1.00 72.11 ATOM 2130 HD21 ASN 128 1.751 -43.229 24.517 1.00 10.13 ATOM 2131 HD22 ASN 128 2.047 -44.837 25.054 1.00 43.24 ATOM 2132 C ASN 128 -0.870 -42.289 21.138 1.00 61.44 ATOM 2133 O ASN 128 -0.407 -41.149 21.056 1.00 42.13 ATOM 2134 N PRO 129 -2.112 -42.570 20.700 1.00 60.44 ATOM 2135 CA PRO 129 -3.010 -41.538 20.147 1.00 10.04 ATOM 2136 HA PRO 129 -2.580 -41.089 19.261 1.00 64.34 ATOM 2137 CB PRO 129 -4.273 -42.325 19.753 1.00 10.05 ATOM 2138 HB1 PRO 129 -4.260 -42.521 18.689 1.00 38.34 ATOM 2139 HB2 PRO 129 -5.156 -41.754 20.004 1.00 41.32 ATOM 2140 CG PRO 129 -4.201 -43.593 20.539 1.00 4.31 ATOM 2141 HG1 PRO 129 -4.704 -44.388 20.006 1.00 38.34 ATOM 2142 HG2 PRO 129 -4.654 -43.449 21.510 1.00 53.20 ATOM 2143 CD PRO 129 -2.738 -43.907 20.685 1.00 14.21 ATOM 2144 HD1 PRO 129 -2.386 -44.487 19.844 1.00 38.34 ATOM 2145 HD2 PRO 129 -2.553 -44.431 21.612 1.00 71.15 ATOM 2146 C PRO 129 -3.354 -40.420 21.151 1.00 64.30 ATOM 2147 O PRO 129 -3.535 -39.263 20.761 1.00 43.30 ATOM 2148 N ASN 130 -3.431 -40.754 22.439 1.00 55.32 ATOM 2149 HN ASN 130 -3.227 -41.680 22.711 1.00 38.34 ATOM 2150 CA ASN 130 -3.817 -39.769 23.460 1.00 33.33 ATOM 2151 HA ASN 130 -4.604 -39.162 23.027 1.00 24.42 ATOM 2152 CB ASN 130 -4.382 -40.462 24.701 1.00 23.23 ATOM 2153 HB1 ASN 130 -4.507 -39.736 25.492 1.00 38.34 ATOM 2154 HB2 ASN 130 -3.692 -41.227 25.025 1.00 25.43 ATOM 2155 CG ASN 130 -5.727 -41.111 24.423 1.00 12.50 ATOM 2156 OD1 ASN 130 -6.480 -40.664 23.559 1.00 71.50 ATOM 2157 ND2 ASN 130 -6.048 -42.160 25.150 1.00 5.20 ATOM 2158 HD21 ASN 130 -5.412 -42.473 25.826 1.00 74.02 ATOM 2159 HD22 ASN 130 -6.915 -42.583 24.986 1.00 24.12 ATOM 2160 C ASN 130 -2.659 -38.833 23.838 1.00 50.41 ATOM 2161 O ASN 130 -2.843 -37.615 23.895 1.00 35.35 ATOM 2162 N GLU 131 -1.464 -39.384 24.090 1.00 63.22 ATOM 2163 HN GLU 131 -1.370 -40.364 24.101 1.00 38.34 ATOM 2164 CA GLU 131 -0.294 -38.536 24.363 1.00 43.23 ATOM 2165 HA GLU 131 -0.534 -37.915 25.218 1.00 5.35 ATOM 2166 CB GLU 131 0.950 -39.379 24.694 1.00 72.51 ATOM 2167 HB1 GLU 131 0.688 -40.093 25.463 1.00 38.34 ATOM 2168 HB2 GLU 131 1.719 -38.724 25.078 1.00 12.43 ATOM 2169 CG GLU 131 1.531 -40.145 23.512 1.00 5.10 ATOM 2170 HG1 GLU 131 1.691 -39.456 22.695 1.00 38.34 ATOM 2171 HG2 GLU 131 0.822 -40.903 23.206 1.00 53.22 ATOM 2172 CD GLU 131 2.856 -40.817 23.842 1.00 52.30 ATOM 2173 OE1 GLU 131 2.979 -42.035 23.629 1.00 44.00 ATOM 2174 OE2 GLU 131 3.777 -40.124 24.324 1.00 51.15 ATOM 2175 C GLU 131 -0.013 -37.620 23.159 1.00 11.22 ATOM 2176 O GLU 131 0.437 -36.483 23.313 1.00 62.15 ATOM 2177 N LEU 132 -0.297 -38.138 21.960 1.00 34.30 ATOM 2178 HN LEU 132 -0.575 -39.079 21.909 1.00 38.34 ATOM 2179 CA LEU 132 -0.198 -37.363 20.717 1.00 53.54 ATOM 2180 HA LEU 132 0.839 -37.092 20.574 1.00 23.04 ATOM 2181 CB LEU 132 -0.661 -38.226 19.529 1.00 44.14 ATOM 2182 HB1 LEU 132 -1.672 -38.554 19.726 1.00 38.34 ATOM 2183 HB2 LEU 132 -0.026 -39.101 19.482 1.00 51.35 ATOM 2184 CG LEU 132 -0.639 -37.544 18.148 1.00 32.13 ATOM 2185 HG LEU 132 -1.243 -36.648 18.189 1.00 34.52 ATOM 2186 CD1 LEU 132 0.779 -37.129 17.769 1.00 64.22 ATOM 2187 HD11 LEU 132 1.153 -36.420 18.493 1.00 21.55 ATOM 2188 HD12 LEU 132 0.772 -36.671 16.790 1.00 65.31 ATOM 2189 HD13 LEU 132 1.420 -37.999 17.754 1.00 34.45 ATOM 2190 CD2 LEU 132 -1.237 -38.464 17.083 1.00 64.23 ATOM 2191 HD21 LEU 132 -2.255 -38.709 17.347 1.00 61.01 ATOM 2192 HD22 LEU 132 -0.654 -39.372 17.019 1.00 21.34 ATOM 2193 HD23 LEU 132 -1.226 -37.963 16.125 1.00 51.11 ATOM 2194 C LEU 132 -1.043 -36.084 20.795 1.00 43.03 ATOM 2195 O LEU 132 -0.558 -34.987 20.515 1.00 5.33 ATOM 2196 N GLN 133 -2.305 -36.238 21.192 1.00 21.40 ATOM 2197 HN GLN 133 -2.624 -37.139 21.416 1.00 38.34 ATOM 2198 CA GLN 133 -3.231 -35.107 21.308 1.00 13.12 ATOM 2199 HA GLN 133 -3.325 -34.661 20.327 1.00 13.51 ATOM 2200 CB GLN 133 -4.613 -35.602 21.760 1.00 21.43 ATOM 2201 HB1 GLN 133 -4.508 -36.098 22.715 1.00 38.34 ATOM 2202 HB2 GLN 133 -4.981 -36.316 21.036 1.00 51.04 ATOM 2203 CG GLN 133 -5.650 -34.493 21.908 1.00 23.12 ATOM 2204 HG1 GLN 133 -5.292 -33.780 22.639 1.00 38.34 ATOM 2205 HG2 GLN 133 -6.576 -34.927 22.260 1.00 65.53 ATOM 2206 CD GLN 133 -5.926 -33.758 20.607 1.00 72.21 ATOM 2207 OE1 GLN 133 -6.809 -34.132 19.845 1.00 50.25 ATOM 2208 NE2 GLN 133 -5.175 -32.706 20.343 1.00 55.13 ATOM 2209 HE21 GLN 133 -4.486 -32.452 20.992 1.00 11.44 ATOM 2210 HE22 GLN 133 -5.337 -32.226 19.507 1.00 25.25 ATOM 2211 C GLN 133 -2.704 -34.040 22.285 1.00 0.51 ATOM 2212 O GLN 133 -2.768 -32.840 22.001 1.00 33.35 ATOM 2213 N ALA 134 -2.186 -34.484 23.431 1.00 63.41 ATOM 2214 HN ALA 134 -2.196 -35.449 23.613 1.00 38.34 ATOM 2215 CA ALA 134 -1.604 -33.574 24.430 1.00 44.23 ATOM 2216 HA ALA 134 -2.373 -32.870 24.726 1.00 1.33 ATOM 2217 CB ALA 134 -1.179 -34.357 25.668 1.00 51.11 ATOM 2218 HB1 ALA 134 -0.795 -33.676 26.413 1.00 12.53 ATOM 2219 HB2 ALA 134 -0.412 -35.069 25.400 1.00 42.53 ATOM 2220 HB3 ALA 134 -2.033 -34.884 26.071 1.00 23.40 ATOM 2221 C ALA 134 -0.411 -32.792 23.852 1.00 71.12 ATOM 2222 O ALA 134 -0.317 -31.571 24.007 1.00 55.44 ATOM 2223 N ALA 135 0.491 -33.513 23.181 1.00 43.33 ATOM 2224 HN ALA 135 0.378 -34.488 23.140 1.00 38.34 ATOM 2225 CA ALA 135 1.648 -32.907 22.510 1.00 61.25 ATOM 2226 HA ALA 135 2.295 -32.482 23.266 1.00 72.23 ATOM 2227 CB ALA 135 2.427 -33.985 21.761 1.00 71.35 ATOM 2228 HB1 ALA 135 3.307 -33.550 21.309 1.00 1.12 ATOM 2229 HB2 ALA 135 1.798 -34.411 20.987 1.00 3.12 ATOM 2230 HB3 ALA 135 2.722 -34.761 22.451 1.00 14.31 ATOM 2231 C ALA 135 1.213 -31.802 21.536 1.00 3.31 ATOM 2232 O ALA 135 1.723 -30.676 21.567 1.00 15.20 ATOM 2233 N ILE 136 0.256 -32.138 20.679 1.00 52.12 ATOM 2234 HN ILE 136 -0.121 -33.046 20.725 1.00 38.34 ATOM 2235 CA ILE 136 -0.260 -31.208 19.672 1.00 14.42 ATOM 2236 HA ILE 136 0.577 -30.866 19.078 1.00 13.10 ATOM 2237 CB ILE 136 -1.254 -31.930 18.735 1.00 10.25 ATOM 2238 HB ILE 136 -2.069 -32.311 19.338 1.00 3.31 ATOM 2239 CG1 ILE 136 -0.550 -33.110 18.048 1.00 33.33 ATOM 2240 HG11 ILE 136 0.036 -33.648 18.780 1.00 38.34 ATOM 2241 HG12 ILE 136 0.108 -32.734 17.278 1.00 25.32 ATOM 2242 CG2 ILE 136 -1.840 -30.963 17.702 1.00 41.11 ATOM 2243 HG21 ILE 136 -2.374 -30.171 18.210 1.00 4.32 ATOM 2244 HG22 ILE 136 -2.522 -31.495 17.054 1.00 42.41 ATOM 2245 HG23 ILE 136 -1.043 -30.536 17.111 1.00 62.12 ATOM 2246 CD1 ILE 136 -1.495 -34.093 17.404 1.00 50.24 ATOM 2247 HD11 ILE 136 -2.079 -33.594 16.646 1.00 2.12 ATOM 2248 HD12 ILE 136 -2.153 -34.503 18.157 1.00 1.52 ATOM 2249 HD13 ILE 136 -0.925 -34.893 16.954 1.00 15.01 ATOM 2250 C ILE 136 -0.941 -29.993 20.317 1.00 44.52 ATOM 2251 O ILE 136 -0.749 -28.862 19.871 1.00 22.50 ATOM 2252 N ASP 137 -1.728 -30.230 21.368 1.00 40.24 ATOM 2253 HN ASP 137 -1.867 -31.157 21.660 1.00 38.34 ATOM 2254 CA ASP 137 -2.391 -29.143 22.099 1.00 60.30 ATOM 2255 HA ASP 137 -3.070 -28.654 21.414 1.00 2.24 ATOM 2256 CB ASP 137 -3.199 -29.707 23.282 1.00 21.33 ATOM 2257 HB1 ASP 137 -2.522 -30.192 23.973 1.00 38.34 ATOM 2258 HB2 ASP 137 -3.904 -30.436 22.910 1.00 13.13 ATOM 2259 CG ASP 137 -3.976 -28.636 24.036 1.00 10.44 ATOM 2260 OD1 ASP 137 -4.432 -27.666 23.398 1.00 52.13 ATOM 2261 OD2 ASP 137 -4.150 -28.771 25.266 1.00 61.41 ATOM 2262 C ASP 137 -1.361 -28.111 22.588 1.00 61.13 ATOM 2263 O ASP 137 -1.502 -26.909 22.353 1.00 40.52 ATOM 2264 N SER 138 -0.308 -28.599 23.240 1.00 14.14 ATOM 2265 HN SER 138 -0.269 -29.564 23.428 1.00 38.34 ATOM 2266 CA SER 138 0.789 -27.738 23.694 1.00 43.04 ATOM 2267 HA SER 138 0.366 -26.982 24.341 1.00 21.31 ATOM 2268 CB SER 138 1.814 -28.553 24.496 1.00 51.31 ATOM 2269 HB1 SER 138 2.635 -27.913 24.789 1.00 38.34 ATOM 2270 HB2 SER 138 2.189 -29.359 23.881 1.00 31.20 ATOM 2271 OG SER 138 1.228 -29.110 25.668 1.00 5.13 ATOM 2272 HG SER 138 0.992 -28.396 26.279 1.00 31.13 ATOM 2273 C SER 138 1.483 -27.037 22.512 1.00 1.33 ATOM 2274 O SER 138 1.905 -25.888 22.625 1.00 62.12 ATOM 2275 N ASN 139 1.584 -27.729 21.372 1.00 40.25 ATOM 2276 HN ASN 139 1.238 -28.647 21.341 1.00 38.34 ATOM 2277 CA ASN 139 2.195 -27.147 20.163 1.00 15.34 ATOM 2278 HA ASN 139 3.121 -26.678 20.467 1.00 51.41 ATOM 2279 CB ASN 139 2.520 -28.239 19.133 1.00 72.11 ATOM 2280 HB1 ASN 139 2.644 -27.783 18.160 1.00 38.34 ATOM 2281 HB2 ASN 139 1.700 -28.940 19.091 1.00 62.32 ATOM 2282 CG ASN 139 3.789 -29.012 19.463 1.00 53.22 ATOM 2283 OD1 ASN 139 4.538 -29.405 18.571 1.00 62.52 ATOM 2284 ND2 ASN 139 4.039 -29.255 20.735 1.00 53.24 ATOM 2285 HD21 ASN 139 3.404 -28.933 21.403 1.00 54.13 ATOM 2286 HD22 ASN 139 4.852 -29.753 20.954 1.00 34.24 ATOM 2287 C ASN 139 1.304 -26.066 19.522 1.00 64.42 ATOM 2288 O ASN 139 1.804 -25.135 18.889 1.00 52.13 ATOM 2289 N ARG 140 -0.013 -26.193 19.671 1.00 20.10 ATOM 2290 HN ARG 140 -0.369 -26.999 20.102 1.00 38.34 ATOM 2291 CA ARG 140 -0.943 -25.151 19.205 1.00 50.00 ATOM 2292 HA ARG 140 -0.637 -24.845 18.213 1.00 71.21 ATOM 2293 CB ARG 140 -2.383 -25.691 19.152 1.00 55.51 ATOM 2294 HB1 ARG 140 -3.032 -24.914 18.770 1.00 38.34 ATOM 2295 HB2 ARG 140 -2.696 -25.942 20.156 1.00 61.20 ATOM 2296 CG ARG 140 -2.559 -26.930 18.279 1.00 24.24 ATOM 2297 HG1 ARG 140 -1.898 -27.706 18.635 1.00 38.34 ATOM 2298 HG2 ARG 140 -2.302 -26.681 17.259 1.00 35.14 ATOM 2299 CD ARG 140 -3.995 -27.446 18.316 1.00 51.42 ATOM 2300 HD1 ARG 140 -4.035 -28.390 17.790 1.00 38.34 ATOM 2301 HD2 ARG 140 -4.635 -26.732 17.818 1.00 51.20 ATOM 2302 NE ARG 140 -4.476 -27.644 19.688 1.00 24.51 ATOM 2303 HE ARG 140 -4.029 -27.144 20.399 1.00 22.13 ATOM 2304 CZ ARG 140 -5.477 -28.416 20.019 1.00 52.32 ATOM 2305 NH1 ARG 140 -6.087 -29.140 19.132 1.00 44.11 ATOM 2306 HH11 ARG 140 -5.793 -29.115 18.177 1.00 54.23 ATOM 2307 HH12 ARG 140 -6.853 -29.719 19.406 1.00 11.52 ATOM 2308 NH2 ARG 140 -5.854 -28.482 21.251 1.00 64.54 ATOM 2309 HH21 ARG 140 -5.381 -27.942 21.948 1.00 31.45 ATOM 2310 HH22 ARG 140 -6.618 -29.067 21.509 1.00 21.34 ATOM 2311 C ARG 140 -0.887 -23.937 20.143 1.00 62.23 ATOM 2312 O ARG 140 -1.172 -22.807 19.749 1.00 74.24 ATOM 2313 N ARG 141 -0.491 -24.197 21.383 1.00 33.31 ATOM 2314 HN ARG 141 -0.233 -25.118 21.607 1.00 38.34 ATOM 2315 CA ARG 141 -0.439 -23.181 22.437 1.00 40.43 ATOM 2316 HA ARG 141 -1.257 -22.490 22.281 1.00 70.12 ATOM 2317 CB ARG 141 -0.637 -23.896 23.782 1.00 14.24 ATOM 2318 HB1 ARG 141 0.248 -24.481 23.990 1.00 38.34 ATOM 2319 HB2 ARG 141 -1.477 -24.568 23.691 1.00 74.21 ATOM 2320 CG ARG 141 -0.895 -22.989 24.980 1.00 1.44 ATOM 2321 HG1 ARG 141 -1.776 -22.392 24.789 1.00 38.34 ATOM 2322 HG2 ARG 141 -0.042 -22.342 25.128 1.00 42.13 ATOM 2323 CD ARG 141 -1.120 -23.821 26.238 1.00 23.10 ATOM 2324 HD1 ARG 141 -0.261 -24.463 26.384 1.00 38.34 ATOM 2325 HD2 ARG 141 -1.999 -24.434 26.095 1.00 5.43 ATOM 2326 NE ARG 141 -1.312 -23.007 27.437 1.00 34.54 ATOM 2327 HE ARG 141 -1.748 -22.140 27.332 1.00 30.25 ATOM 2328 CZ ARG 141 -0.956 -23.390 28.633 1.00 62.20 ATOM 2329 NH1 ARG 141 -0.360 -24.525 28.811 1.00 54.33 ATOM 2330 HH11 ARG 141 -0.172 -25.119 28.031 1.00 14.43 ATOM 2331 HH12 ARG 141 -0.082 -24.800 29.728 1.00 21.14 ATOM 2332 NH2 ARG 141 -1.186 -22.631 29.654 1.00 24.21 ATOM 2333 HH21 ARG 141 -1.635 -21.751 29.529 1.00 23.51 ATOM 2334 HH22 ARG 141 -0.912 -22.934 30.566 1.00 60.02 ATOM 2335 C ARG 141 0.895 -22.396 22.413 1.00 31.11 ATOM 2336 O ARG 141 1.176 -21.593 23.305 1.00 5.43 ATOM 2337 N GLU 142 1.714 -22.631 21.385 1.00 53.24 ATOM 2338 HN GLU 142 1.452 -23.294 20.713 1.00 38.34 ATOM 2339 CA GLU 142 3.001 -21.934 21.232 1.00 23.24 ATOM 2340 HA GLU 142 3.349 -21.651 22.216 1.00 41.41 ATOM 2341 CB GLU 142 4.037 -22.869 20.588 1.00 62.11 ATOM 2342 HB1 GLU 142 4.978 -22.341 20.507 1.00 38.34 ATOM 2343 HB2 GLU 142 3.698 -23.131 19.596 1.00 32.12 ATOM 2344 CG GLU 142 4.281 -24.161 21.363 1.00 51.23 ATOM 2345 HG1 GLU 142 3.341 -24.686 21.466 1.00 38.34 ATOM 2346 HG2 GLU 142 4.658 -23.912 22.346 1.00 30.12 ATOM 2347 CD GLU 142 5.277 -25.085 20.671 1.00 60.11 ATOM 2348 OE1 GLU 142 4.953 -25.607 19.584 1.00 61.13 ATOM 2349 OE2 GLU 142 6.385 -25.302 21.212 1.00 22.14 ATOM 2350 C GLU 142 2.861 -20.664 20.369 1.00 14.30 ATOM 2351 O GLU 142 2.061 -20.619 19.431 1.00 51.34 ATOM 2352 N GLY 143 3.650 -19.637 20.686 1.00 53.24 ATOM 2353 HN GLY 143 4.237 -19.710 21.471 1.00 38.34 ATOM 2354 CA GLY 143 3.656 -18.411 19.889 1.00 32.33 ATOM 2355 HA1 GLY 143 3.234 -18.622 18.915 1.00 38.34 ATOM 2356 HA2 GLY 143 4.680 -18.094 19.756 1.00 43.00 ATOM 2357 C GLY 143 2.870 -17.267 20.525 1.00 30.22 ATOM 2358 O GLY 143 1.645 -17.198 20.404 1.00 41.53 ATOM 2359 N ARG 144 3.580 -16.363 21.201 1.00 11.12 ATOM 2360 HN ARG 144 4.548 -16.490 21.288 1.00 38.34 ATOM 2361 CA ARG 144 2.960 -15.183 21.822 1.00 55.21 ATOM 2362 HA ARG 144 1.903 -15.213 21.599 1.00 13.11 ATOM 2363 CB ARG 144 3.141 -15.220 23.349 1.00 42.14 ATOM 2364 HB1 ARG 144 2.973 -14.227 23.746 1.00 38.34 ATOM 2365 HB2 ARG 144 4.155 -15.516 23.573 1.00 13.31 ATOM 2366 CG ARG 144 2.197 -16.182 24.067 1.00 63.04 ATOM 2367 HG1 ARG 144 2.448 -16.198 25.119 1.00 38.34 ATOM 2368 HG2 ARG 144 2.320 -17.172 23.652 1.00 10.32 ATOM 2369 CD ARG 144 0.738 -15.755 23.911 1.00 60.41 ATOM 2370 HD1 ARG 144 0.466 -15.816 22.866 1.00 38.34 ATOM 2371 HD2 ARG 144 0.639 -14.731 24.245 1.00 33.51 ATOM 2372 NE ARG 144 -0.172 -16.594 24.687 1.00 53.42 ATOM 2373 HE ARG 144 0.147 -17.480 24.955 1.00 72.44 ATOM 2374 CZ ARG 144 -1.373 -16.236 25.052 1.00 55.23 ATOM 2375 NH1 ARG 144 -1.862 -15.084 24.708 1.00 1.55 ATOM 2376 HH11 ARG 144 -1.321 -14.454 24.156 1.00 63.12 ATOM 2377 HH12 ARG 144 -2.782 -14.831 24.994 1.00 2.22 ATOM 2378 NH2 ARG 144 -2.096 -17.039 25.757 1.00 21.35 ATOM 2379 HH21 ARG 144 -1.735 -17.935 26.014 1.00 62.31 ATOM 2380 HH22 ARG 144 -3.004 -16.760 26.056 1.00 63.24 ATOM 2381 C ARG 144 3.534 -13.872 21.257 1.00 75.21 ATOM 2382 O ARG 144 4.629 -13.847 20.688 1.00 41.04 ATOM 2383 N ARG 145 2.774 -12.787 21.414 1.00 74.34 ATOM 2384 HN ARG 145 1.898 -12.884 21.851 1.00 38.34 ATOM 2385 HA ARG 145 3.940 -11.587 20.182 1.00 20.30 ATOM 2386 CB ARG 145 1.982 -10.724 20.337 1.00 33.21 ATOM 2387 HB1 ARG 145 2.266 -9.704 20.118 1.00 38.34 ATOM 2388 HB2 ARG 145 1.178 -10.714 21.062 1.00 34.44 ATOM 2389 CG ARG 145 1.457 -11.360 19.054 1.00 52.23 ATOM 2390 HG1 ARG 145 0.561 -10.840 18.745 1.00 38.34 ATOM 2391 HG2 ARG 145 1.224 -12.398 19.245 1.00 3.10 ATOM 2392 CD ARG 145 2.488 -11.279 17.936 1.00 31.34 ATOM 2393 HD1 ARG 145 2.055 -11.682 17.030 1.00 38.34 ATOM 2394 HD2 ARG 145 3.352 -11.867 18.214 1.00 4.00 ATOM 2395 NE ARG 145 2.905 -9.898 17.693 1.00 41.12 ATOM 2396 HE ARG 145 2.448 -9.192 18.198 1.00 71.23 ATOM 2397 CZ ARG 145 3.841 -9.542 16.860 1.00 5.05 ATOM 2398 NH1 ARG 145 4.477 -10.427 16.157 1.00 75.23 ATOM 2399 HH11 ARG 145 4.254 -11.389 16.250 1.00 74.12 ATOM 2400 HH12 ARG 145 5.188 -10.137 15.517 1.00 12.24 ATOM 2401 NH2 ARG 145 4.142 -8.292 16.737 1.00 43.23 ATOM 2402 HH21 ARG 145 3.658 -7.608 17.283 1.00 71.11 ATOM 2403 HH22 ARG 145 4.851 -8.010 16.096 1.00 64.01 ATOM 2404 CA ARG 145 3.189 -11.454 20.949 1.00 73.20 ATOM 2405 C ARG 145 3.793 -10.610 22.093 1.00 23.11 ATOM 2406 OT1 ARG 145 5.030 -10.635 22.273 1.00 38.34 ATOM 2407 OT2 ARG 145 3.025 -9.921 22.808 1.00 38.34 ATOM 2408 OH2 TIP3 1 -1.295 -53.263 -5.649 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -1.978 -53.847 -5.296 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -0.874 -52.877 -4.847 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -0.846 -56.533 -3.384 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -0.580 -55.768 -2.821 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -0.081 -56.671 -3.972 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -3.976 -50.031 -5.734 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -3.745 -50.420 -4.866 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -3.220 -50.268 -6.309 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.235 -51.466 -3.814 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -7.181 -50.998 -2.967 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.585 -52.204 -3.720 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -9.964 -56.657 -3.184 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -9.815 -57.262 -3.916 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -10.508 -55.934 -3.578 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -1.720 -50.828 -7.032 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -0.926 -50.659 -7.602 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.610 -51.758 -6.742 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -0.828 -49.859 -4.499 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -1.100 -49.967 -5.431 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -1.632 -50.097 -3.987 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -5.315 -53.307 -3.339 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -4.411 -53.450 -2.996 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -5.663 -54.210 -3.482 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -9.920 -51.286 -4.399 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -8.954 -51.432 -4.303 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -10.008 -50.301 -4.452 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -6.649 -49.586 -5.720 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -5.681 -49.723 -5.826 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -6.942 -50.357 -5.197 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 0.252 -52.240 -3.684 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 1.241 -52.241 -3.659 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 0.015 -51.295 -3.783 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -7.520 -54.900 0.738 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -7.385 -55.508 -0.021 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -8.358 -54.442 0.525 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.200 -56.559 6.347 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -7.712 -56.624 5.516 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -6.323 -56.938 6.109 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -10.859 -52.776 7.309 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -10.660 -51.942 7.771 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -9.977 -53.176 7.143 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -4.643 -62.807 0.184 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -3.806 -62.303 0.116 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -4.657 -63.351 -0.606 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -8.573 -54.131 6.482 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -8.719 -54.028 5.521 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -8.152 -55.012 6.567 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -3.916 -54.134 10.851 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -3.926 -55.032 11.205 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -3.098 -53.740 11.227 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -10.189 -56.583 -0.466 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -10.300 -55.628 -0.287 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -10.327 -56.664 -1.433 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -6.072 -55.901 -3.886 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -6.177 -56.216 -4.789 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -5.228 -56.317 -3.581 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -3.283 -57.764 7.629 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -4.058 -57.218 7.895 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -2.861 -58.004 8.480 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -11.990 -54.853 8.746 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -12.182 -55.449 8.019 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -11.664 -54.038 8.309 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -5.035 -57.043 -0.110 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -5.752 -56.909 -0.761 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -4.253 -56.635 -0.523 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -9.314 -52.557 10.155 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -8.553 -52.529 9.525 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -9.859 -51.785 9.899 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -3.718 -56.890 -3.020 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -3.497 -57.671 -2.476 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -2.848 -56.519 -3.258 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -8.976 -57.750 1.658 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -9.441 -57.287 0.919 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -8.942 -58.667 1.374 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -3.790 -61.868 5.324 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -3.889 -61.792 4.348 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -4.682 -62.041 5.638 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -11.433 -54.625 -4.261 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -11.278 -54.035 -3.496 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -11.824 -54.042 -4.934 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -4.811 -53.739 8.314 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.429 -53.703 9.217 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -4.938 -54.692 8.152 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -10.934 -54.537 11.229 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -11.487 -54.772 10.450 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -10.374 -53.799 10.904 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -4.122 -61.554 2.601 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -4.710 -62.019 1.972 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -3.257 -61.554 2.153 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -10.043 -53.833 0.047 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -10.470 -53.219 0.680 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -10.301 -53.482 -0.836 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -8.988 -56.305 12.099 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -9.881 -56.054 11.796 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -8.473 -55.473 12.029 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -2.232 -58.556 1.061 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -2.392 -58.426 0.102 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -1.435 -58.013 1.241 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -5.480 -56.430 8.479 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -6.270 -56.478 7.900 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -5.846 -56.470 9.389 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -9.229 -54.034 3.694 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -9.183 -53.808 2.754 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -10.090 -53.656 3.989 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -10.984 -52.063 1.975 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -11.461 -52.499 2.711 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -10.735 -51.186 2.343 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -10.545 -50.271 9.092 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -10.178 -49.815 9.882 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -11.072 -49.582 8.651 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -11.586 -52.916 4.572 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -12.451 -52.438 4.559 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -11.318 -52.888 5.512 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -7.270 -52.638 8.398 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -7.661 -53.135 7.653 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -6.324 -52.907 8.394 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -3.028 -51.025 -3.292 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -3.638 -50.568 -2.665 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -2.947 -51.927 -2.924 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -10.946 -52.744 -2.326 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -10.481 -52.183 -2.985 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -11.712 -52.198 -2.047 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -10.876 -50.281 -0.245 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -11.671 -50.462 -0.788 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -10.908 -50.956 0.455 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -13.080 -51.179 -1.614 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -13.454 -51.176 -2.530 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -13.855 -51.136 -1.043 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -4.911 -57.629 5.308 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -4.222 -57.782 5.983 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -4.606 -58.147 4.532 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -9.316 -48.197 -1.052 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -9.838 -49.009 -0.847 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -9.381 -47.662 -0.233 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -8.090 -53.499 16.142 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -7.446 -53.799 16.824 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -8.416 -54.333 15.742 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -7.374 -56.403 -1.551 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -8.307 -56.638 -1.703 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -7.043 -56.150 -2.439 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -6.356 -56.403 11.082 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -6.485 -55.439 11.215 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -7.191 -56.798 11.405 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -2.753 -53.757 -2.292 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -3.030 -54.413 -1.624 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -1.773 -53.792 -2.259 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -5.419 -58.591 14.431 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -4.991 -58.422 13.567 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -5.480 -59.548 14.481 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -15.009 -47.717 2.889 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -14.054 -47.914 2.816 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -15.195 -47.792 3.847 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -2.487 -55.594 -0.131 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -2.267 -54.776 0.373 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -1.697 -56.154 -0.027 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -1.884 -58.523 -1.680 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -1.428 -57.894 -2.273 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -1.198 -59.194 -1.471 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -7.907 -56.432 3.739 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -8.339 -56.992 3.048 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -8.410 -55.589 3.710 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -4.270 -57.964 11.984 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -5.022 -57.475 11.582 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.678 -57.255 12.324 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -0.308 -62.145 9.342 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -0.835 -62.896 9.628 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 0.604 -62.359 9.655 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -2.313 -61.278 0.399 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -1.529 -61.325 -0.174 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -2.348 -60.338 0.675 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -4.303 -58.770 2.867 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -3.548 -58.613 2.257 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -4.406 -59.742 2.869 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -11.656 -47.792 8.306 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -10.739 -47.502 8.135 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -12.041 -47.062 8.831 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -7.599 -53.985 11.781 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -7.535 -53.357 12.529 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -8.119 -53.498 11.108 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -16.301 -50.381 5.455 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -16.013 -49.445 5.456 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -17.235 -50.341 5.665 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -13.768 -51.326 4.828 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -14.742 -51.231 4.870 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -13.437 -50.606 5.399 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -13.176 -49.420 6.746 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -12.584 -48.762 7.179 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -13.417 -50.025 7.458 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -4.443 -53.226 20.858 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -3.516 -53.088 21.144 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -4.736 -52.336 20.570 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -6.315 -54.319 18.048 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -6.021 -53.484 18.429 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -5.946 -54.997 18.651 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -3.136 -49.291 15.973 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -2.796 -50.209 15.961 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -2.760 -48.907 16.792 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.711 -50.591 19.944 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -3.833 -50.757 19.541 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -4.728 -49.626 20.083 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -6.750 -56.742 15.922 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -6.238 -57.429 15.437 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -6.097 -56.315 16.489 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -2.488 -52.012 15.431 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -3.119 -51.868 14.702 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -1.781 -52.561 15.029 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -8.961 -55.723 14.786 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -8.975 -56.147 13.904 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -8.250 -56.208 15.273 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -5.036 -55.742 20.021 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -4.828 -54.858 20.411 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -5.231 -56.297 20.783 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -1.905 -52.316 21.418 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -1.758 -51.643 22.114 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -1.937 -51.795 20.585 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -8.165 -52.127 13.773 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -9.056 -52.512 13.628 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -7.907 -52.458 14.659 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -10.487 -53.628 13.839 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -10.116 -54.432 14.260 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -10.864 -53.954 12.994 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -2.541 -55.978 12.677 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -2.213 -56.221 13.571 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -2.225 -55.052 12.555 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 1.292 -48.008 24.526 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 1.525 -48.596 23.774 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 0.967 -47.191 24.098 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -3.047 -45.442 26.776 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -4.009 -45.464 26.936 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -2.861 -44.498 26.605 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -1.407 -55.943 15.177 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -1.708 -55.709 16.076 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -1.136 -55.076 14.785 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.241 -55.776 19.643 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -3.205 -55.900 19.638 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -2.064 -55.250 18.835 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -0.554 -54.800 21.564 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -1.101 -55.302 20.917 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -0.935 -53.895 21.540 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -1.759 -54.261 17.385 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -2.128 -53.423 17.054 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -0.792 -54.145 17.307 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -10.129 -46.165 26.189 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -10.556 -45.320 25.946 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -10.236 -46.721 25.390 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -6.977 -46.202 23.609 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -7.399 -45.869 24.410 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -7.071 -45.460 22.959 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -4.282 -45.971 23.168 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -5.198 -46.216 23.410 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -3.743 -46.750 23.434 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -8.940 -49.441 13.650 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -9.211 -49.279 14.573 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -8.587 -50.356 13.663 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -2.113 -50.758 19.134 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -1.366 -51.142 18.614 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -2.130 -49.815 18.863 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -0.823 -36.051 -28.885 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -0.701 -36.566 -29.687 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -1.796 -35.963 -28.801 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 2.023 -33.070 -23.462 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 1.401 -33.788 -23.209 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 2.871 -33.337 -23.039 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.342 -40.880 -24.159 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -4.710 -41.750 -24.349 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.593 -40.711 -23.218 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -2.778 -31.373 -20.719 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -2.669 -32.352 -20.625 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -2.755 -31.223 -21.682 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -5.278 -37.780 -27.420 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -5.851 -38.521 -27.631 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -5.048 -37.912 -26.477 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -0.074 -35.515 -26.325 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -0.181 -35.690 -27.288 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 0.402 -34.654 -26.292 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -3.540 -35.934 -28.356 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -4.218 -36.625 -28.160 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -4.055 -35.129 -28.482 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -4.867 -33.300 -22.815 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -4.508 -34.178 -23.051 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -5.622 -33.499 -22.229 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -2.269 -37.186 -26.178 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -1.374 -36.800 -26.091 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -2.631 -36.764 -26.981 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -4.835 -40.240 -21.576 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -4.308 -39.421 -21.451 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.637 -40.779 -20.770 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -4.305 -41.517 -19.236 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -3.438 -41.966 -19.187 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -4.648 -41.562 -18.333 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -3.788 -35.859 -23.355 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -3.848 -36.534 -24.062 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -2.922 -35.405 -23.529 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -1.385 -34.762 -23.977 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -0.646 -34.909 -23.351 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -1.008 -34.996 -24.849 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 0.835 -40.394 -23.347 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 1.245 -41.128 -22.873 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -0.116 -40.645 -23.401 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -3.440 -31.056 -23.522 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -4.035 -31.811 -23.295 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -2.751 -31.459 -24.068 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -9.277 -35.004 -15.329 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -9.965 -35.505 -15.814 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -9.397 -34.089 -15.633 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.446 -36.009 -13.634 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.237 -35.708 -14.144 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -6.689 -35.736 -14.194 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -7.637 -34.219 -18.349 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -6.773 -33.960 -17.962 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -8.300 -33.732 -17.808 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -3.576 -45.355 -12.730 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -3.581 -44.670 -13.430 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -3.687 -44.844 -11.904 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -7.905 -40.628 -13.208 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -7.526 -40.968 -14.047 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -7.515 -39.736 -13.114 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -4.867 -43.279 -16.795 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -5.409 -44.046 -16.479 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -4.374 -43.633 -17.545 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -2.343 -47.095 -10.655 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -2.827 -46.853 -11.463 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -2.775 -47.926 -10.350 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -11.191 -35.871 -17.097 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -11.837 -36.583 -17.127 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -10.757 -35.902 -17.978 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -1.005 -44.691 -14.669 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -0.158 -44.695 -15.125 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -1.080 -45.593 -14.303 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -2.776 -36.343 -11.012 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -2.379 -35.922 -11.801 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -3.288 -37.088 -11.377 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -5.506 -35.201 -15.382 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -5.308 -34.643 -16.159 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -4.733 -35.823 -15.329 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -6.474 -38.304 -20.338 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -6.429 -37.818 -21.181 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -6.062 -39.162 -20.541 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -2.752 -40.953 -10.836 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -3.708 -40.769 -10.844 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -2.359 -40.153 -10.473 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -5.519 -41.218 -11.369 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -6.327 -40.689 -11.385 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -5.147 -41.113 -12.271 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -9.451 -34.520 -9.099 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -9.026 -34.669 -9.978 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -9.772 -35.407 -8.837 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -12.179 -38.885 -3.942 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -11.581 -38.988 -4.710 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -12.794 -38.200 -4.215 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -3.594 -37.809 -21.339 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -3.951 -37.303 -20.582 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -3.517 -37.145 -22.051 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -9.984 -33.169 -17.324 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -10.717 -33.804 -17.260 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -10.135 -32.714 -18.183 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -7.835 -34.735 -11.225 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -6.942 -34.360 -11.128 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -7.800 -35.220 -12.075 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -10.106 -32.395 -19.947 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -9.556 -31.659 -20.265 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -10.395 -32.847 -20.768 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -4.745 -36.071 -19.470 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -4.123 -36.270 -18.718 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -5.480 -36.706 -19.345 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -6.926 -33.765 -20.992 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -7.422 -34.490 -21.434 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -7.138 -33.883 -20.040 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -9.999 -48.585 -4.599 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -9.464 -48.215 -5.331 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -10.139 -47.828 -4.000 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -4.231 -45.646 -9.187 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -4.123 -44.802 -9.676 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -3.465 -46.181 -9.466 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -1.479 -39.539 -21.066 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -2.173 -38.855 -21.136 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -1.623 -40.108 -21.848 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -6.945 -36.798 -17.314 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -7.469 -36.126 -17.776 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -6.664 -36.358 -16.497 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -6.446 -41.272 -15.493 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -6.708 -40.683 -16.242 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -6.041 -42.045 -15.931 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -10.201 -43.542 -7.183 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.779 -43.993 -6.422 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -10.764 -44.215 -7.571 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -8.399 -35.894 -21.906 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -7.742 -36.478 -22.345 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -8.711 -36.414 -21.144 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -4.026 -38.128 -12.899 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -3.761 -37.650 -13.717 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -4.015 -39.075 -13.163 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -7.911 -38.651 -9.879 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -7.496 -38.395 -10.731 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -8.332 -39.514 -10.069 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -6.967 -39.545 -17.560 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -7.047 -39.544 -18.522 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -6.960 -38.593 -17.323 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -6.209 -37.204 -22.873 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -5.921 -37.894 -23.498 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -5.483 -36.552 -22.895 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -10.190 -40.827 -7.814 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -9.793 -40.877 -8.694 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -10.192 -41.758 -7.499 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 0.074 -40.723 -19.240 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 0.208 -40.064 -18.524 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -0.425 -40.227 -19.935 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -6.702 -38.297 -12.357 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -7.074 -37.503 -12.809 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -5.729 -38.193 -12.457 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -2.166 -35.206 -13.422 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -2.498 -35.790 -14.143 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -2.858 -34.518 -13.337 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -6.065 -38.004 -7.862 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -6.273 -38.722 -7.259 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -6.680 -38.131 -8.608 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -8.264 -47.496 -6.422 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -7.699 -48.262 -6.159 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -7.711 -47.007 -7.069 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -9.878 -35.455 -19.454 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -10.284 -34.806 -20.052 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -9.080 -35.002 -19.115 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -9.118 -45.183 -5.203 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -9.509 -45.482 -4.350 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -8.875 -46.019 -5.660 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -5.265 -46.795 -5.451 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -5.613 -46.582 -6.338 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -4.666 -47.535 -5.601 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -4.381 -40.708 -13.813 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -5.099 -40.784 -14.480 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -3.837 -41.517 -13.956 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -0.972 -31.256 -11.513 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -0.620 -32.090 -11.894 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -0.707 -30.571 -12.159 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -10.398 -34.035 -22.107 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -9.718 -34.739 -22.180 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -10.742 -33.945 -23.002 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -10.053 -37.294 -8.780 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -9.181 -37.677 -9.024 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -10.678 -37.751 -9.353 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -4.334 -38.235 -24.857 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -4.243 -39.195 -24.651 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -3.487 -38.008 -25.321 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -3.165 -34.426 -9.107 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -2.920 -35.205 -9.662 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -2.346 -33.884 -9.078 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -9.145 -40.990 -10.795 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -8.794 -40.816 -11.701 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -9.493 -41.885 -10.848 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -8.420 -42.027 -3.661 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -7.784 -41.651 -4.307 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -8.868 -42.725 -4.150 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -6.529 -44.703 -4.198 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -6.038 -45.494 -4.515 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -7.425 -44.819 -4.562 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -12.035 -52.289 -5.769 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -11.242 -51.959 -5.280 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.825 -52.127 -6.693 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -14.069 -51.402 -4.128 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -13.370 -51.742 -4.729 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -14.836 -51.295 -4.696 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 0.173 -33.636 -12.574 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 0.957 -33.847 -12.037 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -0.354 -34.455 -12.567 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -1.772 -41.257 -23.205 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -2.581 -41.075 -23.719 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -1.970 -42.107 -22.742 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -6.219 -45.440 -15.917 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -5.923 -46.373 -16.032 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -6.808 -45.474 -15.157 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -3.298 -43.158 -14.486 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -3.702 -43.179 -15.375 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -2.416 -43.578 -14.611 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -3.957 -43.450 -10.766 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -4.756 -42.901 -10.900 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -3.225 -42.797 -10.753 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -5.397 -48.026 -15.869 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -4.562 -47.873 -15.362 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -5.531 -48.974 -15.817 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -6.517 -45.901 -7.792 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -5.702 -45.901 -8.355 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -6.730 -44.967 -7.689 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -2.624 -43.378 -21.719 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -3.177 -44.187 -21.673 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -2.319 -43.245 -20.799 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -4.971 -33.765 -17.749 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -4.092 -33.642 -17.316 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -4.806 -34.449 -18.429 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -8.800 -31.812 -9.037 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -8.895 -31.793 -8.059 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -9.260 -32.635 -9.303 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -3.264 -49.259 -9.254 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -2.549 -49.694 -8.764 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -4.067 -49.548 -8.808 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -4.503 -33.680 -13.272 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -4.589 -32.715 -13.463 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -4.928 -34.112 -14.037 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -6.479 -31.055 -10.594 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -7.277 -31.232 -10.051 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -6.026 -31.920 -10.635 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -5.291 -33.693 -10.674 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -4.476 -33.866 -10.152 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -4.982 -33.721 -11.612 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -3.217 -47.546 -14.343 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -2.247 -47.645 -14.259 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -3.430 -46.791 -13.756 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -7.912 -31.114 -21.431 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -7.787 -32.068 -21.557 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -7.163 -30.849 -20.869 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -4.844 -40.280 2.163 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -5.141 -40.794 2.936 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -4.706 -40.955 1.467 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -12.554 -45.608 4.232 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -12.575 -46.479 3.785 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -12.031 -45.045 3.628 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -4.940 -33.263 4.444 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -5.384 -32.632 5.028 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -5.010 -32.855 3.552 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -8.327 -38.085 10.194 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -7.453 -38.516 10.208 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -8.214 -37.312 10.770 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -13.134 -44.069 0.728 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -13.876 -44.718 0.768 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -13.376 -43.389 1.392 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -9.773 -41.986 3.080 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.509 -41.728 3.668 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -9.181 -42.496 3.656 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -12.401 -45.470 9.848 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -12.914 -44.798 9.353 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -11.462 -45.240 9.650 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -5.292 -37.022 -2.277 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -6.184 -36.629 -2.341 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -4.845 -36.491 -1.585 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -14.245 -45.343 6.291 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -13.712 -44.902 6.984 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -13.630 -45.404 5.519 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -1.082 -34.581 0.378 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -0.877 -35.281 -0.271 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -1.737 -34.021 -0.080 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -4.627 -40.337 12.319 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -5.069 -39.747 11.671 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -3.755 -40.491 11.936 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -4.578 -39.201 -0.748 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -5.116 -39.387 0.033 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -5.045 -38.467 -1.198 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -5.220 -44.653 12.266 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -5.758 -45.128 12.934 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -4.845 -43.912 12.750 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -11.527 -42.423 5.177 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -11.359 -42.065 6.072 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -11.021 -43.253 5.159 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -5.928 -37.082 8.055 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -6.814 -37.074 7.682 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -5.850 -36.214 8.509 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -4.534 -37.495 2.019 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -4.585 -38.476 2.010 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -4.291 -37.258 1.105 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -3.325 -33.324 -0.644 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -2.883 -32.495 -0.352 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -4.220 -33.030 -0.911 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -5.610 -31.821 -0.814 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -5.923 -31.610 -1.720 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -5.235 -30.973 -0.490 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -15.151 -47.875 5.629 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -14.980 -46.951 5.918 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -14.410 -48.387 6.018 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -8.139 -40.772 -1.299 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -8.347 -41.221 -2.157 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -7.200 -40.941 -1.169 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -15.046 -42.681 6.323 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -14.939 -43.638 6.155 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -15.892 -42.465 5.928 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -13.322 -42.386 2.971 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -12.887 -42.561 3.830 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -13.587 -41.465 3.025 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -6.655 -44.941 9.944 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -6.032 -44.684 10.659 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -7.305 -45.521 10.394 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.021 -46.322 -2.886 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -9.731 -47.013 -2.248 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.445 -45.641 -2.321 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -8.074 -43.029 8.555 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -7.638 -42.188 8.735 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -7.489 -43.699 8.982 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -10.922 -44.537 -0.901 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -10.502 -43.686 -0.641 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -11.844 -44.454 -0.570 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -12.256 -47.851 2.640 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -11.683 -48.610 2.879 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -11.940 -47.584 1.766 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -9.362 -38.269 -1.565 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.302 -38.501 -1.404 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -8.891 -39.122 -1.472 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -7.895 -35.985 -1.756 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -8.026 -35.757 -0.830 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -8.467 -36.783 -1.887 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -5.539 -38.478 10.412 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -5.605 -37.660 10.931 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -5.480 -38.166 9.482 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -10.342 -39.596 9.097 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -11.058 -38.962 9.174 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -9.573 -39.138 9.502 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -3.735 -36.032 -0.283 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -2.827 -36.351 -0.406 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -3.647 -35.053 -0.286 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -3.075 -32.212 12.226 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -3.900 -31.693 12.152 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -3.326 -33.099 11.944 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 0.844 -31.945 -3.895 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 1.356 -32.677 -3.490 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 0.631 -32.271 -4.796 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -10.755 -36.133 -4.896 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -10.793 -36.949 -5.436 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -10.355 -36.419 -4.067 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -6.196 -30.925 -3.295 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -5.762 -31.008 -4.168 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -5.912 -30.045 -2.976 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.997 -44.355 2.366 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -11.713 -44.196 1.710 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -10.603 -43.472 2.505 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -7.826 -46.860 11.492 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -8.070 -46.581 12.391 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -8.518 -47.517 11.251 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -9.927 -46.345 0.912 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -10.198 -45.830 0.124 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -10.207 -45.783 1.665 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -15.242 -45.778 1.015 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -15.122 -46.441 1.735 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -16.123 -45.953 0.681 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -11.426 -33.629 -5.795 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -12.361 -33.765 -5.971 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -11.117 -34.500 -5.451 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.297 -33.552 15.594 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -6.845 -34.184 16.208 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -6.575 -32.954 15.298 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -6.837 -33.912 -3.296 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -6.941 -33.098 -2.787 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -7.279 -34.597 -2.751 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -4.764 -37.565 16.231 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -4.788 -38.138 17.033 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -3.888 -37.715 15.856 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -11.845 -39.412 -1.260 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -11.946 -40.358 -1.113 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -12.065 -39.291 -2.211 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -12.947 -43.527 7.943 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -12.120 -43.002 7.914 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -13.609 -42.954 7.504 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -10.828 -38.521 -6.384 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -10.637 -39.435 -6.691 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -10.554 -37.960 -7.136 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -6.347 -40.788 14.478 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -5.729 -40.648 13.727 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -7.167 -41.135 14.052 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -9.917 -45.063 8.913 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.498 -45.768 8.385 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -9.342 -44.286 8.775 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -12.119 -47.243 11.923 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -12.855 -47.074 12.513 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -12.227 -46.580 11.204 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.638 -41.975 7.766 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -9.776 -42.402 7.937 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.593 -41.133 8.278 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -4.900 -43.131 16.437 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -3.988 -43.140 16.784 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -4.874 -42.486 15.717 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -5.045 -38.885 18.626 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -5.910 -39.182 18.946 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -4.477 -38.909 19.422 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -7.587 -47.756 17.222 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -8.368 -48.269 16.921 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -7.755 -46.852 16.902 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -9.898 -48.679 11.246 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -9.582 -49.052 12.103 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -10.733 -48.212 11.482 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -10.294 -51.870 15.986 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -10.657 -52.395 15.244 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -9.512 -52.384 16.277 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.736 -32.420 16.052 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -8.816 -32.760 15.956 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -10.021 -32.754 16.934 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -9.762 -32.443 13.243 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -9.931 -32.356 14.203 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -9.409 -33.355 13.148 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -5.955 -34.887 9.656 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -6.221 -35.321 10.493 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -6.159 -33.940 9.803 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -6.510 -32.214 10.042 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -6.138 -31.703 10.788 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -7.488 -32.149 10.171 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -10.275 -49.700 3.167 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -9.443 -49.276 2.875 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -10.049 -50.103 4.032 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -9.986 -42.181 0.255 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -9.890 -41.903 1.188 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -9.420 -41.554 -0.241 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -9.295 -32.081 -6.373 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -9.262 -31.470 -5.629 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.132 -32.591 -6.230 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -5.177 -32.025 14.733 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -5.347 -31.561 13.888 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -4.315 -32.439 14.605 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -7.653 -42.348 19.782 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -7.698 -42.123 18.836 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -7.400 -41.508 20.215 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -6.862 -35.231 25.160 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -7.698 -35.714 25.006 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -6.584 -35.513 26.047 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -6.945 -39.960 21.027 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -7.606 -39.298 21.251 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -6.668 -40.325 21.898 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -7.270 -44.570 21.456 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -7.021 -45.226 20.778 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -7.458 -43.757 20.943 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -0.129 -43.338 27.173 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 0.781 -42.976 27.241 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -0.009 -44.301 27.250 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -3.090 -40.842 28.046 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -2.663 -39.965 28.054 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -3.080 -41.126 28.980 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -11.643 -40.304 17.472 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -12.591 -40.314 17.321 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -11.536 -39.766 18.286 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -8.679 -41.820 13.515 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -9.222 -41.847 14.337 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.250 -42.203 12.843 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -6.277 -35.579 28.033 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -7.260 -35.620 27.955 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -6.074 -34.610 27.986 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -9.950 -41.815 15.935 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -10.609 -41.276 16.426 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.179 -41.843 16.526 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -10.517 -35.261 22.694 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -11.076 -34.590 23.142 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -10.015 -34.745 22.030 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -3.764 -51.589 12.962 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -4.547 -52.076 12.669 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -3.008 -52.193 12.741 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -3.800 -35.550 29.527 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -3.891 -36.410 29.981 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -4.625 -35.466 29.004 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -9.196 -33.486 21.010 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -9.000 -32.980 21.827 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -8.314 -33.716 20.648 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -5.050 -43.578 29.847 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -4.664 -44.315 30.335 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -4.436 -42.836 30.014 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -8.136 -44.976 27.593 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -8.858 -45.572 27.286 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -8.430 -44.673 28.472 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -5.531 -44.328 27.206 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -6.468 -44.615 27.263 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -5.333 -43.985 28.099 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -7.303 -41.855 16.987 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -6.467 -42.360 17.027 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -7.163 -41.226 16.250 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -5.486 -48.133 15.319 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -6.051 -48.231 16.111 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -4.615 -48.510 15.597 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -7.277 -44.857 16.510 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -7.840 -44.125 16.802 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -6.368 -44.527 16.647 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -7.879 -43.197 29.818 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -6.917 -43.362 29.767 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -7.998 -42.756 30.690 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -11.153 -43.824 25.197 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -11.530 -44.124 24.343 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -11.880 -43.324 25.619 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -4.340 -30.050 29.882 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -3.619 -29.597 29.394 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -4.057 -30.989 29.910 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -14.220 -43.320 24.281 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -15.162 -43.379 24.467 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -13.841 -42.908 25.088 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -13.074 -42.385 26.596 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -12.539 -41.587 26.834 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -13.340 -42.750 27.450 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -11.876 -38.887 19.813 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -12.094 -37.994 20.164 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -11.847 -39.445 20.594 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -6.767 -46.075 14.077 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -6.285 -46.802 14.539 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -7.165 -45.556 14.807 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -11.485 -40.422 27.585 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -10.614 -40.849 27.747 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -11.375 -39.529 27.935 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -6.363 -38.059 29.214 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -6.336 -37.178 28.780 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -5.425 -38.288 29.339 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -1.735 -38.367 28.099 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -1.592 -37.404 28.047 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -0.831 -38.747 28.017 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -12.292 -36.442 20.935 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -11.642 -36.127 21.600 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -13.071 -35.846 21.064 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -14.248 -37.234 23.856 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -13.964 -37.886 23.215 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -14.399 -37.735 24.659 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -8.900 -36.070 27.457 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -9.192 -36.167 26.533 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -9.096 -36.942 27.862 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -5.406 -31.052 26.201 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -5.662 -31.516 25.381 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -4.896 -30.271 25.890 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -8.580 -34.887 13.613 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -8.074 -34.416 14.317 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -8.834 -35.723 14.024 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -11.443 -35.774 18.374 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -11.769 -35.973 19.274 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -11.493 -36.618 17.914 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -8.691 -42.964 25.837 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -8.449 -43.726 26.401 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -9.557 -43.218 25.452 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -4.362 -47.781 20.278 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -4.086 -47.382 21.118 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -5.219 -47.347 20.077 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -9.241 -36.628 24.724 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -9.725 -36.183 23.992 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -9.353 -37.568 24.544 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -9.866 -49.219 16.332 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -9.955 -50.205 16.278 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -10.751 -48.918 16.556 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -8.959 -41.359 28.034 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -8.599 -41.973 28.712 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -8.725 -41.785 27.178 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -12.333 -44.752 22.875 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -12.373 -44.492 21.949 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -13.139 -44.353 23.274 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -14.106 -34.472 21.374 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -13.836 -33.535 21.302 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -15.017 -34.436 21.681 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -2.591 -42.817 26.302 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -2.896 -42.091 26.895 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -1.651 -42.958 26.565 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -10.475 -33.254 18.554 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -9.976 -33.422 19.382 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -10.901 -34.123 18.354 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -5.907 -35.228 17.152 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -6.034 -35.314 18.106 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -5.518 -36.086 16.878 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -6.599 -37.912 14.119 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -6.006 -37.597 14.829 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -6.674 -38.869 14.282 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -6.057 -39.744 31.414 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -5.119 -39.535 31.350 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -6.475 -39.164 30.748 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -8.967 -38.636 28.382 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -8.960 -39.607 28.255 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -8.080 -38.439 28.747 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -3.651 -38.306 30.124 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -3.100 -38.323 29.314 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -3.055 -38.660 30.821 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -7.802 -41.729 32.137 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -7.121 -41.052 31.914 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -8.186 -41.414 32.958 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -13.158 -31.830 21.411 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -12.402 -31.567 20.841 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -13.750 -31.070 21.383 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -0.865 -30.351 27.365 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -0.623 -30.253 26.428 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -1.649 -29.781 27.474 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -1.679 -39.605 31.540 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -1.230 -39.123 32.279 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -0.946 -40.006 31.041 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -2.810 -41.973 30.617 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -2.667 -41.208 31.211 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -2.384 -42.729 31.095 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 1.412 -45.902 28.962 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 0.774 -46.104 28.249 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 2.014 -46.676 28.968 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -6.664 -28.294 26.237 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -5.771 -28.411 25.830 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -6.502 -28.396 27.198 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -3.512 -43.410 23.785 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -3.296 -43.395 24.737 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -3.858 -44.317 23.629 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -9.284 -32.295 23.596 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -10.225 -32.551 23.709 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -9.179 -31.511 24.175 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -6.654 -32.657 24.303 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -6.468 -33.562 24.650 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -7.611 -32.678 24.096 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -10.611 -46.908 23.572 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -10.053 -47.094 22.800 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -11.227 -46.215 23.264 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -6.881 -46.805 19.785 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -7.508 -47.219 20.417 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -7.117 -47.200 18.919 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -8.360 -47.834 21.917 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -7.841 -47.277 22.542 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -8.298 -48.722 22.287 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -2.367 -48.139 18.384 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -1.724 -47.429 18.606 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.116 -47.982 19.000 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -11.136 -30.880 19.717 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -11.278 -30.285 18.970 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -10.960 -31.755 19.297 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -5.427 -33.042 28.011 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.471 -32.306 27.360 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.701 -32.785 28.610 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -5.931 -18.714 -29.509 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -6.366 -17.970 -29.037 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -6.658 -19.361 -29.657 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -6.076 -14.320 -28.713 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -6.733 -13.831 -28.178 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -6.367 -15.251 -28.651 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -2.397 -26.324 -25.893 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -2.274 -27.098 -25.299 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -2.062 -26.624 -26.744 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -6.537 -9.149 -29.737 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -6.911 -9.846 -29.147 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -7.308 -8.762 -30.162 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.786 -18.653 -31.301 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.620 -18.608 -30.784 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -3.415 -19.531 -31.076 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -1.622 -20.162 -26.809 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -1.297 -19.830 -27.663 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.174 -19.439 -26.470 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -7.529 -23.749 -22.755 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -7.518 -24.658 -23.104 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -7.113 -23.828 -21.872 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -7.773 -20.740 -29.728 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -8.706 -20.972 -29.673 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -7.315 -21.460 -29.235 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -7.083 -26.574 -23.270 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -6.760 -27.439 -23.601 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -6.781 -26.555 -22.341 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -6.169 -23.954 -26.164 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -6.432 -23.139 -25.687 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -6.933 -24.566 -26.032 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -4.434 -20.552 -28.143 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -4.947 -19.809 -28.525 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -3.775 -20.770 -28.842 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -8.089 -16.024 -25.667 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -7.980 -16.707 -24.992 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -8.662 -15.348 -25.233 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -4.320 -17.311 -33.932 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -4.213 -16.826 -33.098 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -4.299 -18.239 -33.668 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -6.152 -22.635 -28.584 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -6.159 -23.273 -27.838 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -5.483 -21.969 -28.321 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -9.041 -20.195 -24.745 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -9.003 -19.588 -23.970 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -9.971 -20.423 -24.819 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -8.280 -25.525 -25.512 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -7.948 -25.957 -24.696 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -9.023 -26.072 -25.783 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -1.969 -23.092 -27.528 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -2.200 -22.221 -27.160 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -2.656 -23.682 -27.196 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -8.943 -18.697 -22.451 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -9.530 -18.797 -21.689 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -8.046 -18.803 -22.072 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -6.861 -21.821 -24.556 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -7.248 -22.447 -23.896 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -7.595 -21.186 -24.738 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -10.280 -21.825 -18.339 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -10.647 -22.343 -17.619 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -9.950 -22.500 -18.978 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.656 -22.574 -22.981 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -5.416 -22.254 -23.509 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -4.446 -23.450 -23.372 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -9.230 -19.606 -19.559 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -9.628 -18.928 -19.006 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -9.572 -20.451 -19.184 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 0.494 -18.162 -34.154 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 0.075 -18.461 -33.316 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 0.890 -18.964 -34.517 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -0.744 -21.693 -32.272 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -0.533 -22.076 -31.393 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -1.591 -22.112 -32.518 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -4.397 -20.692 -25.399 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -5.334 -20.881 -25.214 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -4.359 -20.596 -26.375 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -6.031 -29.177 -23.416 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -6.672 -29.758 -22.981 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -5.223 -29.707 -23.465 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.102 -24.768 -24.497 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -4.858 -24.594 -25.098 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -3.471 -25.285 -25.051 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -3.670 -15.062 -32.257 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -3.983 -14.342 -31.663 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -3.855 -14.728 -33.157 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -7.190 -11.037 -27.915 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -7.604 -11.869 -27.612 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -6.357 -10.992 -27.416 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -6.841 -9.947 -24.013 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -5.867 -10.053 -24.058 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -7.050 -9.372 -24.754 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -7.346 -16.738 -28.210 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -8.216 -16.748 -28.628 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -7.540 -16.586 -27.256 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -4.151 -14.822 -35.002 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.195 -15.791 -34.812 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.914 -14.661 -35.570 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -5.457 -31.308 -20.164 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -5.664 -32.228 -20.402 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -4.494 -31.226 -20.340 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -1.004 -32.674 -9.156 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -0.070 -32.789 -9.451 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -1.384 -32.075 -9.831 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -1.061 -25.184 -10.193 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -1.763 -25.807 -9.892 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -1.344 -24.311 -9.826 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -4.474 -27.461 -12.843 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -4.163 -27.932 -13.645 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -5.382 -27.186 -13.060 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -4.699 -28.552 -10.306 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -4.561 -28.256 -11.235 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -5.198 -29.384 -10.391 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.455 -13.456 -18.519 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -5.414 -14.210 -17.924 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -4.935 -12.761 -18.063 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -2.283 -19.258 -18.547 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -2.868 -19.081 -19.308 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -2.656 -20.064 -18.141 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 0.083 -17.204 -12.547 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 0.657 -17.076 -13.334 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -0.142 -16.294 -12.271 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -9.165 -23.592 -20.052 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -8.240 -23.885 -19.917 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -9.258 -23.544 -21.012 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -1.631 -20.796 -11.186 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -1.020 -20.550 -11.911 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -2.452 -21.067 -11.651 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -3.836 -22.097 -12.216 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -4.284 -21.823 -11.381 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -4.323 -22.904 -12.489 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -4.823 -21.355 -20.581 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -4.746 -22.066 -19.916 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -4.780 -21.831 -21.445 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -2.383 -27.820 -17.240 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -1.525 -27.355 -17.269 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -2.290 -28.525 -17.900 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -0.843 -17.365 -9.379 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -1.184 -17.509 -10.270 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -0.966 -18.230 -8.932 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -6.866 -7.735 -19.525 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -6.777 -8.372 -20.244 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -7.688 -7.273 -19.715 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -6.502 -12.266 -20.688 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -7.335 -11.968 -20.308 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -6.100 -12.823 -19.977 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -7.800 -29.015 -11.922 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -7.268 -29.748 -11.565 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -8.620 -29.033 -11.381 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -6.383 -26.607 -9.336 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -6.115 -26.499 -8.406 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -5.798 -27.314 -9.671 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -1.765 -23.188 -13.761 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -2.385 -22.701 -13.187 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -2.276 -23.354 -14.572 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -6.535 -24.354 -20.209 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -6.266 -25.285 -20.378 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -5.813 -23.997 -19.654 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 0.958 -24.490 -18.242 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 0.067 -24.155 -18.490 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 0.801 -25.439 -18.037 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -0.982 -19.998 -8.602 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -1.261 -20.306 -9.491 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -1.308 -20.687 -7.998 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -1.391 -16.966 -20.680 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -1.123 -17.339 -19.825 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -2.261 -17.370 -20.851 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -3.832 -21.296 -17.101 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -3.750 -21.977 -16.395 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -4.508 -20.694 -16.770 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -2.661 -27.131 -9.092 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -2.707 -27.527 -8.209 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -3.363 -27.593 -9.598 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -3.826 -18.777 -20.795 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -4.685 -18.328 -20.880 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -4.061 -19.732 -20.789 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -6.778 -19.309 -20.820 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -6.242 -20.119 -20.732 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -7.574 -19.487 -20.273 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -5.423 -26.303 -6.661 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -5.483 -25.348 -6.558 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -5.884 -26.662 -5.864 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -6.427 -27.242 -4.293 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -7.296 -27.409 -3.919 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -5.808 -27.666 -3.658 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -9.659 -29.341 -9.929 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -9.449 -30.238 -9.602 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -9.811 -28.827 -9.133 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 2.647 -13.221 -10.287 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 1.915 -13.811 -10.019 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 3.442 -13.650 -9.920 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 0.917 -15.319 -9.548 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 0.166 -15.943 -9.412 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 1.613 -15.654 -8.944 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -1.479 -22.175 -6.394 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -1.396 -23.146 -6.542 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -0.555 -21.853 -6.432 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 1.144 -19.575 -15.882 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 0.920 -20.456 -16.217 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 0.691 -18.957 -16.512 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -4.405 -23.436 -18.687 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -4.176 -22.659 -18.128 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -4.392 -24.193 -18.062 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 0.044 -19.851 -13.213 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -0.055 -18.923 -12.894 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 0.241 -19.754 -14.163 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -0.121 -14.492 -11.978 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 0.245 -14.771 -11.110 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -0.200 -13.515 -11.898 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -1.635 -24.090 -19.129 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -1.688 -25.010 -19.477 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -2.556 -23.788 -19.121 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -3.979 -23.497 -15.408 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -4.025 -24.334 -15.922 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -4.421 -23.717 -14.561 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -2.090 -22.839 -9.345 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -2.937 -22.663 -8.907 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -2.031 -22.157 -10.039 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -4.925 -21.458 -9.804 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -4.632 -21.589 -8.876 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -5.818 -21.116 -9.724 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -5.673 -26.849 -20.851 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -5.612 -27.616 -20.268 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -4.849 -26.885 -21.385 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -4.238 -25.750 -16.964 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -4.992 -26.371 -16.864 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -3.483 -26.336 -17.183 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -5.059 -24.491 -12.973 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -4.463 -25.218 -12.721 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -5.952 -24.834 -12.759 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -7.018 -26.363 -12.072 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -6.916 -26.228 -11.106 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -7.434 -27.250 -12.143 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 1.217 -29.217 -4.371 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 1.690 -29.270 -5.227 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 1.171 -30.148 -4.067 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -5.818 -28.037 -16.745 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -6.654 -28.154 -16.284 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -5.556 -28.949 -17.002 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 0.036 -27.232 -6.284 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 1.013 -27.229 -6.434 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -0.100 -27.949 -5.652 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -1.989 -26.618 -20.129 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -2.458 -26.582 -20.988 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -1.777 -27.563 -20.013 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -0.200 -17.860 -17.466 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -0.956 -18.393 -17.801 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -0.599 -16.984 -17.261 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -4.935 -31.018 -13.622 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -4.425 -30.314 -14.073 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -5.432 -30.551 -12.939 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -3.324 -29.071 -14.838 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -3.252 -28.542 -15.657 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -2.553 -29.669 -14.874 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -5.402 -30.698 -17.494 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -5.464 -30.824 -18.463 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -5.351 -31.597 -17.143 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -4.384 -30.316 -5.307 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -3.648 -30.044 -4.732 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -4.354 -29.688 -6.041 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -4.550 -28.265 11.931 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -5.371 -27.739 11.754 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -3.883 -27.852 11.371 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -6.294 -30.406 5.400 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -6.111 -30.988 6.173 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -6.093 -29.521 5.720 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -5.503 -30.784 12.269 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -5.134 -29.888 12.077 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -6.412 -30.596 12.622 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -3.874 -20.499 10.440 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -3.507 -19.658 10.795 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -4.053 -20.305 9.517 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -8.771 -23.719 13.801 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -8.006 -23.651 14.415 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -9.453 -23.176 14.213 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -2.059 -31.112 0.259 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -1.615 -30.986 -0.617 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -1.314 -31.135 0.905 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -5.759 -26.145 14.572 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -6.631 -26.401 14.201 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -5.402 -25.495 13.921 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -6.868 -36.283 11.937 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -7.438 -35.622 12.380 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -6.648 -36.923 12.657 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -7.912 -30.328 13.388 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -8.336 -29.636 13.913 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -8.597 -31.019 13.305 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -6.556 -23.669 15.428 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -5.925 -23.262 14.807 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -6.290 -24.611 15.449 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 0.567 -15.939 16.287 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -0.064 -15.469 16.851 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 0.183 -16.844 16.201 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -9.174 -32.105 10.538 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -9.496 -32.151 11.461 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -9.970 -31.984 10.014 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -4.199 -28.334 14.743 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -4.158 -28.512 13.785 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -4.744 -27.519 14.807 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -4.002 -21.823 -7.258 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -4.518 -21.657 -6.464 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -3.082 -21.953 -6.923 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -0.848 -25.754 15.359 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -1.681 -26.229 15.273 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -0.986 -24.933 14.821 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -1.320 -23.630 13.802 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -0.499 -23.309 13.377 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -2.031 -23.094 13.385 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -6.722 -26.717 11.470 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -6.853 -25.792 11.197 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -7.390 -26.852 12.174 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -5.258 -30.018 16.628 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -5.358 -30.857 16.134 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -4.863 -29.403 15.970 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -11.241 -30.164 15.934 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -10.670 -30.963 16.007 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -11.999 -30.461 15.420 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -2.613 -18.218 11.222 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -1.784 -18.579 11.596 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -2.319 -17.448 10.692 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -3.196 -19.808 14.051 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -3.320 -18.975 13.577 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -3.193 -19.550 14.996 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 1.155 -22.776 13.005 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 1.475 -22.253 12.230 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 1.848 -23.430 13.149 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -2.984 -27.516 -6.225 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -2.286 -26.852 -6.359 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -3.819 -27.034 -6.426 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -5.132 -24.001 13.009 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -5.757 -23.905 12.263 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -4.405 -23.372 12.797 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -4.298 -29.570 0.029 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -3.445 -30.056 0.138 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -4.468 -29.196 0.901 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -4.877 -28.642 -2.485 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -3.985 -28.671 -2.895 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -4.712 -28.856 -1.539 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -5.635 -32.075 7.433 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -6.002 -31.980 8.339 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -5.179 -32.923 7.454 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -2.310 -33.249 2.660 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -2.952 -32.665 2.222 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -1.730 -33.553 1.937 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -7.289 -30.820 2.902 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -6.954 -30.669 3.816 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -8.218 -30.578 2.948 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -5.166 -32.210 1.926 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -5.946 -31.681 2.216 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -5.299 -32.316 0.966 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -6.615 -22.246 23.689 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -7.117 -22.038 24.504 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -6.912 -23.141 23.449 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -9.785 -18.868 23.633 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -10.016 -19.794 23.788 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -10.532 -18.373 23.990 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -5.669 -18.115 27.183 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -4.897 -18.561 26.762 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -6.402 -18.262 26.546 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -6.209 -16.822 19.817 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -7.058 -17.304 19.869 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -5.656 -17.242 20.511 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -4.458 -23.288 26.417 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -5.279 -23.191 26.940 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -4.354 -24.261 26.310 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -11.927 -33.059 23.582 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -12.347 -32.623 22.809 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -12.653 -33.193 24.202 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -8.217 -18.776 20.648 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -9.020 -18.659 21.168 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -7.581 -19.185 21.277 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -6.341 -20.072 22.116 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -6.464 -20.829 22.731 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -5.908 -20.472 21.330 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -8.346 -26.537 13.650 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -8.746 -25.648 13.681 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -8.889 -27.070 14.278 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -3.986 -22.583 21.763 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -3.703 -22.140 22.582 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -4.144 -23.512 22.039 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -8.071 -15.021 27.688 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -9.049 -14.902 27.730 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -7.911 -15.381 26.791 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -5.001 -20.898 19.935 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -4.244 -20.304 19.753 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -4.602 -21.643 20.452 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -3.052 -19.049 16.704 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -3.614 -18.269 16.934 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -3.030 -19.571 17.519 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -8.303 -30.283 25.321 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -7.898 -30.937 25.909 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -7.902 -29.431 25.605 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -0.919 -20.626 18.368 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -0.741 -20.987 17.492 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -0.890 -21.412 18.963 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -9.654 -27.985 15.551 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -9.674 -27.566 16.416 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -10.242 -28.768 15.649 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -7.634 -21.255 19.282 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -6.664 -21.130 19.380 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -8.010 -20.384 19.505 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -6.356 -25.306 33.034 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -7.218 -24.830 33.121 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -5.862 -25.048 33.841 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -4.255 -24.988 23.092 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -4.325 -24.731 24.019 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -4.256 -25.974 23.121 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -7.407 -23.976 11.388 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -7.819 -23.407 10.730 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -7.973 -23.872 12.185 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -6.769 -22.896 27.915 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -6.408 -22.566 28.766 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -7.056 -23.815 28.117 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -8.488 -29.974 20.438 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -9.369 -30.376 20.291 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -8.207 -30.326 21.312 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -4.256 -26.256 28.770 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -4.416 -25.557 29.438 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -5.022 -26.858 28.866 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -0.876 -17.506 30.974 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -1.456 -16.910 31.502 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 0.030 -17.292 31.289 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -8.139 -25.081 22.831 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -8.276 -25.992 22.498 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -8.165 -24.527 22.016 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -9.294 -23.641 24.944 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -9.191 -24.038 24.058 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -9.026 -24.352 25.551 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -7.601 -18.643 25.334 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -8.240 -18.550 24.598 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -7.674 -19.588 25.591 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -10.683 -14.292 27.532 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -11.571 -14.455 27.857 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -10.695 -13.347 27.262 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -3.614 -19.416 25.989 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -3.237 -19.914 26.745 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -3.720 -20.095 25.283 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -1.417 -15.049 19.465 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -2.390 -14.955 19.451 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -1.265 -16.009 19.340 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -4.052 -21.558 24.403 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -4.023 -22.203 25.148 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -4.954 -21.665 24.038 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -7.320 -15.765 25.200 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -7.297 -16.742 25.206 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -6.420 -15.505 24.942 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -5.666 -15.815 28.718 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -5.710 -16.699 28.300 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -6.559 -15.434 28.561 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -4.455 -16.963 17.677 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -5.196 -17.068 18.307 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -4.076 -16.102 17.900 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -2.787 -19.323 19.846 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -2.287 -18.490 19.733 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -2.163 -20.012 19.540 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -7.423 -25.575 28.248 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -7.606 -25.598 27.281 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -7.145 -26.480 28.455 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -8.345 -23.742 20.452 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -8.109 -22.800 20.396 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -8.385 -24.026 19.518 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -7.740 -25.885 25.556 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -7.668 -25.692 24.600 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -7.359 -26.787 25.648 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -8.691 -27.303 21.233 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -8.650 -28.207 20.871 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -8.891 -26.752 20.471 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -4.173 -25.966 26.021 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -4.144 -26.207 26.968 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -4.216 -26.829 25.553 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -10.416 -11.703 26.614 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -9.622 -12.034 26.149 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -10.352 -10.747 26.541 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -6.041 -19.006 29.737 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -6.520 -19.843 29.688 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -5.989 -18.703 28.806 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -5.537 -22.121 30.254 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -5.173 -23.013 30.465 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -4.799 -21.507 30.457 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -0.655 -17.699 19.198 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -0.465 -18.563 18.793 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 0.151 -17.500 19.726 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -8.028 -21.421 25.924 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -8.682 -22.111 25.666 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -7.563 -21.812 26.697 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -5.358 -23.953 35.198 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -5.789 -23.148 34.884 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -5.233 -23.805 36.140 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -2.603 -20.498 28.283 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -3.206 -20.362 29.044 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -1.774 -20.039 28.553 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -8.557 -23.792 33.235 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -8.046 -22.975 33.023 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -9.415 -23.468 33.517 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -4.652 -24.596 30.987 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -5.346 -24.842 31.637 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -3.823 -24.924 31.392 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -6.204 -28.193 28.956 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -5.694 -28.999 29.195 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -6.654 -27.937 29.796 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -5.921 -19.334 33.485 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -5.407 -18.738 32.897 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -6.325 -18.741 34.124 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 0.016 -13.680 21.353 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -0.736 -13.395 21.908 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -0.406 -14.150 20.601 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 1.802 -19.884 16.878 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 1.870 -20.205 17.807 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 1.039 -19.273 16.892 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -3.285 -32.688 29.683 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -3.460 -33.630 29.875 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -2.333 -32.665 29.452 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -0.235 -27.405 30.045 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 0.308 -28.198 29.836 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 0.188 -27.032 30.848 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -7.034 -11.043 24.142 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -7.473 -11.648 24.776 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -6.222 -11.515 23.885 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -2.486 -28.325 28.822 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -3.104 -27.562 28.779 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -1.795 -28.035 29.455 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -8.121 -13.006 25.724 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -7.990 -13.300 26.645 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -8.088 -13.831 25.207 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -4.545 -18.063 21.599 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -3.889 -18.568 21.071 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -5.101 -18.757 22.016 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -7.167 -30.376 22.777 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -7.585 -30.022 23.589 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -6.728 -31.195 23.081 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -8.060 -23.583 17.727 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -7.947 -22.688 18.108 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -7.515 -23.568 16.915 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -4.210 -14.823 19.668 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.006 -15.394 19.724 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -4.557 -13.915 19.810 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -0.143 -16.748 28.426 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -0.510 -16.992 29.302 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 0.776 -16.455 28.623 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -4.704 -17.655 31.696 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -4.387 -16.750 31.566 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -5.329 -17.800 30.953 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -6.953 -21.719 32.646 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -6.558 -21.819 31.759 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -6.607 -20.855 32.967 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -7.239 -26.910 31.062 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -7.869 -26.329 30.613 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -6.986 -26.408 31.868 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -3.596 -20.211 30.830 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.076 -20.114 31.638 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -4.180 -19.423 30.829 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 3.037 -25.501 33.981 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 3.140 -25.356 34.926 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 3.839 -25.093 33.586 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -0.403 -24.574 31.615 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 0.317 -25.161 31.921 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -1.223 -25.031 31.905 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -2.672 -25.957 32.378 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -3.186 -26.733 32.044 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -2.735 -26.031 33.338 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -4.409 -27.944 31.671 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -4.369 -28.774 31.152 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -5.357 -27.779 31.783 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 3.899 -9.980 -30.464 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 4.002 -9.039 -30.299 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 2.936 -10.095 -30.607 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -0.486 -8.003 -27.855 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -1.309 -7.579 -27.601 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -0.581 -8.154 -28.819 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -4.158 -10.510 -29.831 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -4.981 -9.977 -29.889 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -3.597 -10.164 -30.554 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -1.343 -5.800 -31.483 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -2.029 -5.125 -31.531 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -0.526 -5.324 -31.667 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -0.932 -8.348 -30.558 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -1.042 -7.432 -30.899 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -1.615 -8.862 -31.037 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -9.470 -13.935 -24.547 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -8.869 -13.360 -24.009 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -10.327 -13.844 -24.117 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -4.712 -10.032 -27.030 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -4.207 -10.447 -27.754 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -5.147 -9.279 -27.450 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -1.642 -12.885 -29.564 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -1.246 -12.428 -30.339 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -2.591 -12.960 -29.792 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -2.899 -9.560 -32.129 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -3.556 -9.007 -32.568 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -2.564 -10.147 -32.841 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -4.269 -13.184 -30.352 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -4.955 -13.595 -29.771 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -4.372 -12.219 -30.196 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -7.973 -13.504 -26.891 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -7.774 -14.402 -26.566 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -8.678 -13.194 -26.297 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -4.195 -11.040 -21.520 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -5.031 -11.451 -21.207 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -4.337 -10.916 -22.481 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -4.562 -7.477 -18.088 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -5.360 -7.617 -18.645 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -4.916 -7.250 -17.226 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -4.117 -10.322 -24.256 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -3.172 -10.176 -24.070 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -4.170 -10.337 -25.235 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -3.914 -11.627 -17.154 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -3.686 -12.289 -16.458 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -4.042 -10.804 -16.668 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -7.904 -12.288 -23.097 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -7.623 -11.411 -23.445 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -7.332 -12.427 -22.319 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -1.417 -15.467 -17.007 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -2.262 -15.020 -17.132 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -1.074 -15.099 -16.165 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -3.465 -13.719 -15.485 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -4.025 -14.168 -14.843 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -2.550 -13.897 -15.169 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -2.377 -11.233 -19.385 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -3.030 -11.159 -20.110 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -2.923 -11.400 -18.588 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 2.519 -2.939 16.793 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 1.549 -3.008 16.877 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 2.814 -2.640 17.669 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 0.457 -10.350 15.354 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 0.468 -9.710 14.638 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 0.359 -11.217 14.897 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -2.392 -5.934 15.940 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -2.553 -5.244 16.614 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -3.258 -6.040 15.497 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 1.072 -11.585 23.807 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 0.186 -11.203 23.654 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 1.684 -10.949 23.380 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -1.962 -12.906 23.074 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -1.683 -11.962 23.099 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -2.933 -12.866 23.075 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -4.758 -14.321 24.696 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -4.580 -14.838 23.870 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -4.851 -13.400 24.378 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -5.465 -12.417 20.356 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -6.422 -12.335 20.251 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -5.122 -11.544 20.109 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -1.744 -5.186 20.142 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -1.357 -6.084 20.228 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -1.177 -4.629 20.703 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 0.240 -3.678 21.481 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -0.191 -4.072 22.279 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 1.101 -3.347 21.813 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 0.856 -1.946 19.403 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 1.799 -1.861 19.604 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 0.482 -2.376 20.195 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 0.326 -6.024 16.262 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 0.289 -5.099 16.575 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 -0.588 -6.200 15.944 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -4.975 -6.013 14.997 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -5.659 -6.590 15.347 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -5.403 -5.546 14.272 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -2.909 -8.776 19.593 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -2.914 -8.575 18.652 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -2.065 -8.389 19.914 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -2.824 -14.077 30.194 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -3.656 -14.142 29.712 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -2.153 -13.942 29.499 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -3.850 -9.759 21.953 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -3.547 -9.385 21.090 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -4.723 -9.329 22.106 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 0.351 -8.396 17.735 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 0.314 -9.052 17.014 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 0.372 -7.532 17.272 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -3.710 -15.097 27.032 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -4.278 -14.700 26.335 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -4.344 -15.338 27.747 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -4.139 -15.485 22.402 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -3.929 -15.136 21.519 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -4.184 -16.457 22.268 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -4.703 -12.112 23.014 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -4.989 -12.469 22.146 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -4.317 -11.230 22.791 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -6.464 -9.053 22.385 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -7.162 -8.394 22.361 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -6.758 -9.693 23.075 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 2.983 -51.298 -8.933 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 3.631 -51.192 -9.657 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 3.165 -52.199 -8.577 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 5.957 -51.625 -5.229 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 5.576 -52.479 -4.970 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 5.193 -51.010 -5.219 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 11.382 -55.559 -11.189 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 12.116 -55.875 -10.603 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 10.943 -56.369 -11.471 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 11.616 -47.905 -15.580 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 12.591 -47.957 -15.552 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 11.405 -47.933 -16.517 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 13.794 -51.996 -9.678 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 13.334 -52.515 -10.376 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 14.026 -51.157 -10.122 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 13.217 -59.321 -6.978 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 12.426 -58.774 -6.777 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 12.956 -60.224 -6.722 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 9.968 -52.840 -8.250 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 9.099 -52.576 -7.871 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 10.273 -53.570 -7.670 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 9.170 -53.820 -10.670 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 9.868 -54.455 -10.903 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 9.492 -53.405 -9.844 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 3.237 -56.343 -2.246 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 3.012 -55.381 -2.161 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 3.548 -56.432 -3.166 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 4.630 -54.180 -5.249 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 4.423 -55.132 -5.115 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 3.923 -53.708 -4.751 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 6.649 -52.732 -10.794 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 7.594 -52.993 -10.868 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 6.217 -53.516 -10.442 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 1.196 -56.623 -5.479 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 0.643 -56.935 -6.204 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 1.287 -55.654 -5.643 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 19.287 -51.421 -6.846 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 20.167 -51.015 -6.645 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 18.708 -51.098 -6.130 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 10.575 -49.863 -8.817 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 10.862 -50.050 -9.737 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 9.614 -49.825 -8.875 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 6.287 -46.275 -19.860 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 5.640 -46.905 -20.216 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 5.745 -45.648 -19.340 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 1.615 -47.451 -16.020 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 1.743 -46.499 -15.799 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 2.483 -47.848 -15.861 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 8.799 -46.313 -18.660 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 7.892 -46.390 -19.024 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 9.354 -46.178 -19.434 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 10.205 -61.952 -7.088 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 10.084 -62.801 -7.521 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 11.139 -61.968 -6.785 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 1.417 -53.934 -5.875 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 1.765 -53.385 -5.138 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 0.503 -53.609 -6.004 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 9.113 -59.605 -6.210 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 9.430 -60.444 -6.619 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 9.878 -59.002 -6.283 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 1.699 -54.838 0.187 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 2.247 -54.403 -0.514 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 2.014 -54.446 1.010 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 13.410 -56.503 -9.630 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 14.388 -56.525 -9.595 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 13.137 -56.836 -8.766 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 7.050 -54.403 -6.455 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 6.206 -54.312 -5.967 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 7.212 -53.513 -6.821 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 8.378 -60.319 -3.692 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 7.686 -60.954 -3.908 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 8.677 -59.982 -4.570 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 15.582 -51.436 -6.794 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 15.363 -50.674 -7.376 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 16.267 -51.088 -6.190 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 7.715 -51.753 -7.209 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 7.190 -51.651 -6.379 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 7.358 -51.054 -7.799 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 3.675 -48.139 -10.186 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 3.675 -48.285 -9.220 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 4.104 -48.935 -10.544 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 8.742 -56.498 -6.687 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 8.140 -55.719 -6.642 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 8.148 -57.257 -6.676 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 3.549 -50.276 -5.104 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 3.290 -51.135 -4.699 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 2.876 -49.643 -4.766 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 13.948 -49.464 -11.028 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 13.476 -48.591 -11.122 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 14.766 -49.350 -11.564 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 1.605 -48.678 -4.183 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 1.599 -47.839 -4.663 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 0.678 -48.997 -4.243 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 -0.059 -54.367 -1.960 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 0.385 -53.634 -2.436 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 0.512 -54.524 -1.179 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 6.997 -57.045 -2.548 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 7.268 -56.739 -3.417 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 7.841 -57.144 -2.054 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 11.673 -54.267 -6.646 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 11.298 -54.809 -5.926 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 12.559 -54.673 -6.806 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 0.182 -60.176 -0.905 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 0.513 -60.021 -0.003 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 0.933 -59.916 -1.477 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 3.440 -53.653 -7.701 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 2.629 -53.735 -7.161 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 4.157 -53.871 -7.083 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 11.659 -55.760 -4.305 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 11.951 -54.932 -3.888 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 11.428 -56.334 -3.541 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 12.649 -62.016 -3.447 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 11.842 -61.652 -3.029 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 13.309 -62.004 -2.732 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 11.142 -57.647 -6.330 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 10.344 -57.155 -6.635 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 11.502 -57.089 -5.610 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 3.851 -56.788 -4.932 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 2.891 -56.851 -5.147 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 4.176 -57.691 -5.030 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 2.062 -46.145 -18.570 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 1.944 -46.815 -17.868 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 1.371 -45.489 -18.387 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 -0.462 -47.363 -14.116 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 0.146 -47.470 -13.364 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 0.086 -47.587 -14.896 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 3.853 -49.594 -12.934 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 4.414 -48.899 -13.340 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 2.975 -49.180 -12.867 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 20.601 -52.676 -10.759 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 21.279 -52.830 -10.095 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 19.754 -52.754 -10.259 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 18.807 -49.041 -8.815 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 19.467 -48.604 -8.226 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 19.025 -49.983 -8.756 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 12.572 -53.177 -11.839 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 12.082 -53.995 -11.587 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 12.888 -53.359 -12.732 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 11.504 -50.668 -11.298 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 11.673 -51.603 -11.531 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 12.389 -50.249 -11.333 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 14.180 -55.180 -6.810 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 14.575 -56.047 -6.589 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 14.833 -54.764 -7.404 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 15.334 -57.710 -6.630 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 14.615 -58.377 -6.753 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 15.630 -57.506 -7.539 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 9.648 -46.461 -14.297 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 10.163 -45.739 -13.871 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 10.335 -47.094 -14.608 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 3.842 -49.096 -7.582 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 3.776 -49.241 -6.615 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 3.404 -49.887 -7.970 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 10.268 -48.359 -12.006 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 11.057 -47.785 -11.877 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 10.616 -49.267 -11.898 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 0.421 -50.368 -8.566 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 1.315 -50.730 -8.747 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 0.311 -49.654 -9.239 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 4.980 -50.620 -10.723 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 5.606 -51.377 -10.846 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 4.613 -50.461 -11.627 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 6.405 -49.716 -8.515 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 6.019 -50.086 -9.333 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 5.629 -49.399 -8.011 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 8.521 -59.319 8.076 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 8.076 -59.256 7.198 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 9.334 -59.813 7.895 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 0.626 -56.636 5.641 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 -0.198 -57.177 5.588 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 1.259 -57.105 5.054 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 2.129 -60.001 6.930 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 1.424 -59.698 7.536 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 1.648 -60.398 6.191 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 0.229 -54.828 3.387 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 1.198 -54.704 3.472 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 -0.012 -55.334 4.177 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 12.415 -60.208 5.940 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 12.216 -60.017 6.889 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 12.635 -61.146 5.931 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 9.405 -59.905 2.239 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 9.989 -59.345 1.677 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 9.579 -60.815 1.917 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 -1.357 -60.887 6.099 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 -1.153 -61.384 6.897 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 -2.219 -61.260 5.796 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 4.378 -58.730 5.740 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 3.837 -58.268 5.060 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 3.732 -59.299 6.206 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 14.009 -54.520 4.954 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 13.357 -53.786 5.017 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 14.873 -54.061 4.816 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 7.836 -59.535 -1.127 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 8.395 -58.765 -0.887 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 7.971 -59.636 -2.094 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 14.561 -56.785 8.165 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 14.843 -56.907 9.098 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 15.355 -56.969 7.655 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 5.182 -56.857 7.562 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 5.632 -56.185 7.002 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 4.754 -57.456 6.913 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 9.655 -53.887 2.733 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 9.770 -54.301 3.614 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 8.852 -54.286 2.387 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 6.232 -55.176 5.666 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 5.417 -54.617 5.573 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 6.481 -55.384 4.755 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 2.128 -56.554 11.871 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 1.700 -56.465 12.754 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 1.995 -57.502 11.633 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 17.162 -54.127 14.731 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 17.415 -53.373 14.163 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 17.024 -53.727 15.614 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 15.139 -58.082 -0.916 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 14.309 -58.284 -1.395 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 15.782 -57.907 -1.615 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 5.085 -59.586 -0.769 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 5.008 -59.608 0.202 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 6.048 -59.509 -0.931 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 1.527 -57.217 8.344 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 1.263 -56.897 7.461 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 0.891 -57.925 8.542 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 2.660 -57.494 4.054 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 2.812 -56.514 4.052 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 2.780 -57.750 3.126 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 8.271 -57.708 3.545 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 7.979 -57.225 2.740 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 8.776 -58.469 3.194 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 -0.020 -59.480 8.913 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 -0.847 -59.060 9.242 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 -0.165 -60.445 9.070 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 9.517 -57.369 9.753 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 9.119 -58.017 9.134 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 10.373 -57.146 9.347 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 4.568 -59.457 1.996 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 4.588 -58.473 2.065 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 5.328 -59.749 2.543 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 1.987 -59.015 0.990 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 2.249 -58.902 0.050 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 2.813 -59.295 1.433 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 2.607 -58.990 -1.679 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 2.719 -58.041 -1.906 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 3.529 -59.311 -1.530 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 12.402 -49.592 11.237 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 13.355 -49.629 11.490 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 12.255 -48.650 11.035 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 7.174 -59.001 5.713 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 7.535 -58.386 5.032 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 6.205 -58.843 5.690 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 10.078 -55.134 5.109 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 9.564 -54.703 5.820 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 10.118 -56.070 5.376 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 11.034 -58.673 0.471 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 11.730 -59.002 -0.115 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 10.515 -58.056 -0.096 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 8.005 -57.052 11.934 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 8.406 -57.516 12.705 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 8.583 -57.309 11.175 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 7.614 -56.558 1.155 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 6.781 -56.375 0.678 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 8.259 -56.763 0.441 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -2.179 -58.220 10.136 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -1.730 -57.514 10.624 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 -2.944 -58.449 10.703 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 5.458 -57.099 10.884 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 5.528 -57.948 10.400 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 6.347 -56.982 11.289 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 8.252 -53.850 6.965 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 7.541 -54.396 6.566 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 7.805 -53.015 7.191 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 14.882 -59.856 1.233 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 15.010 -59.056 0.679 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 14.396 -59.532 2.022 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 15.168 -52.195 12.087 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 14.473 -52.144 11.420 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 14.676 -52.295 12.941 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 11.336 -57.611 5.617 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 11.524 -58.570 5.607 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 11.516 -57.342 6.543 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 0.041 -56.996 0.750 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 0.597 -56.206 0.571 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 0.688 -57.690 0.988 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 8.802 -54.594 10.913 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 9.361 -54.730 10.126 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 8.509 -55.492 11.154 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 11.709 -51.704 9.012 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 11.706 -50.865 9.497 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 11.981 -51.450 8.104 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 9.996 -62.138 0.715 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 10.452 -62.975 0.595 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 9.115 -62.278 0.290 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 5.683 -62.125 1.373 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 4.832 -61.677 1.315 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 6.110 -61.725 2.156 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 6.843 -60.497 3.277 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 7.714 -60.305 2.868 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 6.969 -60.277 4.217 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 15.263 -57.034 4.354 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 15.314 -56.178 4.809 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 16.194 -57.372 4.367 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 10.498 -54.299 8.567 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 9.707 -54.122 8.013 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 10.903 -53.417 8.690 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 1.851 -59.098 10.950 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 1.124 -59.198 10.313 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 2.572 -59.635 10.572 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 4.285 -56.759 1.906 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 4.659 -56.453 1.051 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 3.975 -55.943 2.339 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 3.549 -60.521 9.247 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 3.198 -60.356 8.346 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 4.433 -60.095 9.242 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 5.384 -56.213 -0.523 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 5.999 -56.559 -1.211 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 4.523 -56.163 -0.986 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 12.020 -57.595 12.562 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 12.676 -56.871 12.631 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 11.368 -57.393 13.246 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 5.913 -59.075 9.043 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 5.738 -58.284 8.487 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 6.842 -59.306 8.839 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 11.846 -56.742 8.218 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 12.832 -56.638 8.208 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 11.508 -55.824 8.345 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 2.202 -62.683 10.236 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 2.729 -61.950 9.845 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 2.781 -63.056 10.906 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 12.484 -50.332 6.709 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 13.378 -50.353 6.295 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 12.461 -49.475 7.184 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 12.317 -48.003 8.375 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 11.628 -47.363 8.172 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 12.735 -47.653 9.187 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 14.046 -61.177 -1.012 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 13.596 -60.411 -1.415 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 14.311 -60.853 -0.123 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 12.342 -52.369 4.675 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 12.206 -51.634 5.310 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 11.568 -52.329 4.096 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 12.785 -61.990 -6.167 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 13.653 -62.359 -6.363 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 12.729 -62.017 -5.179 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 12.650 -58.887 -1.885 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 11.933 -59.504 -2.153 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 12.208 -57.997 -1.877 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 2.345 -54.842 6.843 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 1.663 -55.260 6.285 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 2.925 -54.366 6.198 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 15.509 -57.318 10.682 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 15.346 -58.254 10.952 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 16.452 -57.313 10.393 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 10.613 -60.741 -2.038 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 10.284 -60.978 -1.151 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 9.798 -60.625 -2.573 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 11.754 -59.504 8.475 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 11.928 -59.760 9.407 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 11.871 -58.533 8.471 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 12.100 -59.866 11.165 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 11.352 -60.339 11.548 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 12.071 -58.976 11.606 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 -1.573 -58.194 5.536 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -1.489 -59.170 5.597 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 -2.159 -57.959 6.283 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 9.491 -49.677 11.686 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 10.435 -49.729 11.477 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 9.220 -50.612 11.811 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 7.636 -62.200 -0.528 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 7.609 -61.246 -0.744 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 6.858 -62.334 0.058 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 11.876 -52.245 11.768 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 11.816 -52.466 10.820 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 12.108 -51.294 11.776 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 8.408 -57.158 18.395 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 7.485 -57.292 18.105 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 8.323 -56.668 19.231 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 10.735 -52.140 19.350 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 11.363 -52.850 19.147 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 9.852 -52.578 19.276 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 1.305 -54.558 23.561 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 0.624 -54.626 22.849 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 1.254 -55.406 24.016 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 10.856 -48.047 25.001 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 11.324 -47.204 25.117 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 11.386 -48.521 24.339 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 8.558 -53.770 18.946 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 8.014 -53.921 18.150 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 8.163 -54.362 19.615 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 0.859 -53.885 16.420 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 0.361 -53.827 15.566 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 1.757 -53.569 16.189 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 8.970 -50.486 21.010 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 9.310 -49.668 21.401 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 9.745 -50.892 20.584 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 11.670 -49.931 17.756 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 11.414 -50.503 18.506 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 12.359 -49.335 18.130 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 5.736 -56.911 17.738 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 5.947 -55.974 17.530 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 5.185 -56.856 18.547 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 9.084 -58.218 14.162 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 8.198 -58.367 14.552 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 9.620 -57.879 14.914 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 10.250 -57.121 16.380 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 9.555 -57.148 17.078 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 11.087 -57.084 16.882 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 4.527 -56.623 20.171 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 4.293 -55.882 20.771 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 3.780 -57.237 20.259 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 3.676 -51.291 24.992 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 4.001 -50.910 24.150 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 4.180 -50.829 25.670 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 6.599 -57.839 15.301 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 6.231 -57.688 16.200 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 5.827 -57.706 14.702 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 6.449 -51.419 21.023 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 7.367 -51.053 21.079 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 6.206 -51.303 20.077 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 4.616 -57.171 13.527 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 3.665 -57.000 13.547 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 4.832 -57.200 12.576 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 13.649 -52.534 14.277 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 12.771 -52.870 14.064 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 13.726 -52.652 15.246 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 -1.033 -50.323 23.211 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 -0.616 -50.858 23.912 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 -0.280 -50.009 22.675 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 15.282 -56.085 15.043 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 14.773 -56.057 14.207 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 15.995 -55.424 14.909 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 7.153 -55.618 20.514 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 6.354 -56.143 20.314 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 6.861 -55.001 21.215 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 9.167 -52.337 12.281 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 10.141 -52.403 12.281 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 8.874 -53.148 11.801 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 1.796 -56.743 21.287 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 2.422 -56.076 21.623 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 0.971 -56.251 21.158 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 3.658 -54.865 22.095 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 4.486 -54.376 22.285 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 2.997 -54.460 22.689 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 5.727 -47.092 24.735 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 6.462 -47.741 24.762 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 6.112 -46.284 25.127 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 15.076 -49.329 11.870 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 15.779 -48.657 11.951 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 15.498 -50.152 12.160 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 12.029 -54.228 17.664 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 12.139 -55.190 17.831 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 12.934 -53.913 17.460 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 1.110 -51.922 24.257 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 1.954 -51.791 24.744 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 1.099 -52.882 24.052 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 1.244 -56.344 14.471 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 0.308 -56.484 14.718 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 1.583 -55.760 15.161 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 0.026 -51.598 17.724 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 0.665 -50.935 17.390 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 0.357 -52.444 17.370 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 6.811 -54.536 16.887 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 7.177 -55.004 16.111 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 6.446 -53.714 16.512 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 7.664 -55.498 14.393 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 7.437 -56.390 14.739 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 7.679 -55.619 13.431 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 14.138 -55.767 12.523 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 14.613 -56.345 11.880 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 14.300 -54.873 12.200 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 -2.401 -47.877 23.582 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 -2.074 -48.794 23.493 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 -1.606 -47.358 23.754 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 -0.644 -46.023 18.960 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 0.144 -45.749 19.463 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 -0.504 -45.638 18.077 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 14.153 -52.602 17.001 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 14.155 -51.684 17.304 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 15.094 -52.882 17.080 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 12.423 -56.935 18.107 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 13.389 -57.013 17.925 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 12.280 -57.497 18.876 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 12.854 -48.491 22.789 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 13.601 -49.096 22.581 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 12.756 -47.953 21.981 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 4.513 -50.202 22.534 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 5.183 -50.755 22.075 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 4.642 -49.314 22.152 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 0.567 -48.839 27.058 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 -0.013 -48.073 27.188 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 0.831 -48.778 26.118 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 3.324 -46.901 25.990 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 2.633 -47.306 25.421 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 4.168 -47.124 25.536 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 8.066 -48.576 25.130 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 9.020 -48.470 25.339 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 7.674 -48.930 25.959 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 1.676 -49.879 22.544 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 1.515 -50.690 23.075 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 2.621 -49.933 22.310 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 3.690 -46.753 22.932 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 4.039 -47.116 22.101 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 4.451 -46.781 23.543 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 6.183 -53.752 22.346 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 6.698 -53.523 23.128 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 6.230 -52.941 21.781 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 16.304 -48.508 19.617 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 16.994 -48.992 19.111 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 16.679 -47.623 19.735 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 2.403 -29.308 -22.455 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 3.078 -28.714 -22.059 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 2.874 -29.741 -23.204 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 1.018 -33.040 -26.002 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 1.011 -32.106 -26.230 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 1.440 -33.070 -25.120 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 4.178 -34.179 -22.222 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 4.239 -35.121 -22.481 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 5.103 -33.930 -22.012 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 2.728 -39.206 -24.957 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 1.949 -39.611 -24.518 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 2.350 -38.664 -25.657 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 -2.186 -28.505 -24.175 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 -2.810 -29.238 -24.029 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 -1.305 -28.901 -23.978 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 2.802 -33.045 -20.067 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 3.280 -33.462 -20.810 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 3.354 -33.251 -19.283 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 0.818 -35.227 -22.379 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 1.044 -36.188 -22.458 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 1.017 -35.013 -21.458 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 4.568 -39.663 -23.017 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 4.841 -40.610 -23.085 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 3.980 -39.530 -23.798 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 4.917 -36.895 -22.722 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 5.334 -36.868 -21.831 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 4.809 -37.853 -22.905 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 6.063 -36.958 -20.278 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 5.674 -36.705 -19.406 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 5.961 -37.937 -20.307 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 3.517 -46.814 -20.824 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 2.996 -46.580 -20.023 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 2.954 -47.435 -21.297 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 5.011 -44.692 -21.850 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 4.366 -45.401 -21.658 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 5.818 -44.979 -21.393 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 5.178 -42.324 -23.203 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 5.507 -42.699 -24.024 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 5.051 -43.106 -22.617 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 3.344 -30.900 -24.450 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 2.897 -31.699 -24.101 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 3.986 -31.242 -25.078 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 6.786 -39.041 -16.325 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 7.227 -38.252 -15.936 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 7.156 -39.096 -17.231 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 9.854 -35.642 -13.746 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 10.732 -35.601 -13.356 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 9.249 -35.690 -12.969 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 14.835 -44.172 -12.243 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 15.245 -43.655 -11.521 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 13.926 -44.362 -11.914 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 8.227 -36.827 -15.725 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 8.736 -36.539 -14.944 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 8.461 -36.183 -16.408 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 10.804 -37.331 -10.644 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 11.365 -37.355 -9.843 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 11.323 -37.797 -11.306 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 9.318 -34.140 -16.213 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 9.507 -33.182 -16.136 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 9.506 -34.494 -15.323 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 10.299 -40.073 -17.953 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 10.514 -40.996 -18.199 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 9.363 -39.969 -18.213 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 15.578 -40.803 -7.725 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 15.964 -40.322 -6.960 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 15.547 -41.733 -7.432 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 9.935 -37.186 -18.495 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 10.580 -36.631 -18.008 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 10.161 -38.100 -18.229 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 8.531 -35.898 -11.319 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 8.190 -35.362 -10.580 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 9.296 -36.382 -10.935 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 7.839 -39.237 -18.839 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 7.200 -39.468 -19.547 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 8.277 -38.435 -19.163 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 15.647 -34.002 -6.595 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 15.204 -34.819 -6.914 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 15.498 -34.010 -5.623 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 9.808 -31.391 -16.366 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 10.416 -31.447 -17.135 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 9.144 -30.725 -16.638 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 4.440 -44.525 -18.713 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 4.085 -43.837 -19.297 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 3.658 -45.064 -18.476 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 6.610 -41.718 -16.178 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 6.512 -40.736 -16.201 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 7.579 -41.857 -16.091 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 7.568 -42.183 -13.406 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 6.836 -41.743 -13.856 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 8.304 -42.142 -14.053 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 2.221 -42.364 -18.666 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 1.576 -41.742 -19.068 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 1.663 -42.978 -18.154 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 -1.787 -42.797 -19.114 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 -1.210 -42.011 -19.233 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 -1.279 -43.368 -18.508 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 9.256 -42.232 -15.601 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 9.932 -41.763 -16.118 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 9.401 -43.179 -15.820 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 8.297 -35.462 -19.875 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 8.899 -36.100 -19.421 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 7.512 -36.007 -20.116 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 15.496 -35.952 -2.330 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 14.961 -36.700 -2.640 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 15.383 -35.968 -1.356 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 13.314 -31.379 -16.780 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 12.727 -31.477 -17.558 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 13.246 -32.232 -16.322 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 12.870 -31.323 -9.932 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 13.621 -31.829 -9.556 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 12.437 -30.921 -9.143 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 11.807 -35.477 -17.331 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 11.543 -34.804 -16.674 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 12.720 -35.684 -17.104 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 5.115 -36.598 -17.791 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 4.716 -37.500 -17.750 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 5.362 -36.404 -16.859 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 4.512 -33.914 -18.008 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 5.445 -33.614 -17.973 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 4.577 -34.888 -17.940 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 10.861 -44.218 -13.318 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 10.673 -43.296 -13.118 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 11.443 -44.517 -12.563 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 7.286 -33.621 -18.088 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 7.643 -34.258 -18.740 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 7.890 -33.703 -17.322 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 6.016 -44.342 -16.474 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 6.240 -43.393 -16.350 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 5.558 -44.366 -17.341 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 7.007 -44.858 -13.882 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 7.207 -43.939 -13.615 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 6.674 -44.774 -14.796 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 0.212 -43.750 -17.333 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 0.900 -44.129 -16.732 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 -0.247 -43.074 -16.780 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 1.501 -37.822 -22.426 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 1.020 -38.649 -22.627 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 2.427 -38.050 -22.568 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 12.292 -33.480 -15.146 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 11.839 -32.646 -14.908 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 12.713 -33.762 -14.320 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 0.342 -32.490 -6.588 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 -0.329 -32.601 -7.290 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 1.200 -32.566 -7.063 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 6.884 -33.798 -21.676 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 7.497 -34.256 -21.072 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 7.041 -34.228 -22.547 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 5.706 -39.648 -20.482 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 5.335 -40.344 -19.893 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 5.251 -39.790 -21.339 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 6.860 -35.386 -23.916 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 6.148 -35.985 -23.605 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 7.142 -35.769 -24.752 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 3.720 -38.929 -17.739 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 2.781 -39.166 -17.737 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 4.175 -39.752 -18.015 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 4.762 -41.327 -18.520 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 3.902 -41.807 -18.498 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 5.282 -41.734 -17.804 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 2.419 -32.796 -16.425 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 2.400 -31.945 -16.907 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 3.173 -33.274 -16.817 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 -0.064 -33.286 -15.257 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 0.089 -33.395 -14.291 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 0.841 -33.202 -15.635 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 -2.680 -33.867 -16.294 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 -2.709 -34.808 -16.598 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 -1.822 -33.795 -15.827 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 12.506 -32.798 -12.165 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 12.566 -32.255 -11.345 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 11.946 -32.262 -12.761 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 15.086 -32.479 -8.832 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 15.281 -33.041 -8.048 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 15.693 -31.732 -8.744 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 15.440 -38.527 -0.682 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 14.474 -38.582 -0.911 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 15.506 -37.715 -0.156 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 17.814 -46.786 -19.201 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 17.090 -46.120 -19.221 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 17.990 -46.970 -20.125 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 16.375 -37.275 -9.441 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 15.730 -36.702 -8.997 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 17.018 -37.504 -8.735 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 14.231 -35.992 -8.036 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 13.999 -35.458 -8.832 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 13.647 -36.771 -8.098 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 10.511 -42.876 -18.312 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 10.054 -43.528 -17.756 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 11.152 -43.412 -18.827 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 15.784 -44.964 -19.251 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 15.099 -45.240 -18.601 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 15.785 -44.004 -19.200 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 13.837 -45.654 -17.479 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 14.139 -46.458 -17.000 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 13.336 -45.144 -16.794 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 5.241 -47.393 -13.743 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 4.973 -47.170 -14.663 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 5.042 -46.574 -13.232 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 0.114 -48.379 -10.372 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 -0.692 -47.831 -10.466 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 0.675 -48.111 -11.122 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 14.624 -49.302 -8.286 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 14.265 -49.295 -9.193 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 15.217 -48.517 -8.260 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 14.436 -46.614 -13.384 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 14.729 -45.692 -13.199 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 13.684 -46.752 -12.756 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 14.450 -47.777 -15.838 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 15.283 -48.291 -15.823 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 14.443 -47.311 -14.968 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 1.895 -47.547 -12.375 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 2.038 -46.692 -12.846 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 2.552 -47.530 -11.644 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 4.366 -46.511 -16.167 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 3.596 -45.903 -16.163 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 5.132 -45.922 -16.315 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 4.459 -45.258 -12.173 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 3.649 -45.229 -12.728 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 4.444 -44.411 -11.689 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 12.154 -44.458 -15.756 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 12.030 -44.357 -14.795 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 11.255 -44.616 -16.095 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 -4.148 -45.676 -21.435 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 -3.926 -46.610 -21.498 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 -5.069 -45.667 -21.155 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 9.515 -44.850 -16.497 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 9.191 -45.393 -17.257 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 9.361 -45.425 -15.713 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 6.311 -31.722 -19.825 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 6.690 -32.238 -19.084 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 6.436 -32.300 -20.603 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 12.613 -29.132 -15.458 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 13.015 -29.833 -16.025 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 12.057 -28.610 -16.082 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 1.244 -30.742 -20.390 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 1.679 -30.290 -21.145 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 1.682 -31.626 -20.353 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 15.549 -33.726 -3.860 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 15.061 -33.139 -3.242 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 15.563 -34.596 -3.397 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 12.959 -46.761 10.834 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 12.480 -46.161 11.448 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 13.899 -46.555 10.993 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 12.784 -42.166 25.773 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 11.812 -42.187 25.739 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 13.055 -42.350 24.854 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 3.402 -39.966 27.016 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 4.271 -39.681 27.370 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 3.530 -39.957 26.036 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 10.807 -45.821 22.177 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 10.118 -46.514 22.285 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 11.360 -45.905 22.983 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 1.281 -36.881 29.116 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 1.139 -37.753 28.693 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 0.388 -36.474 29.132 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 12.780 -46.064 24.106 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 13.366 -45.433 23.633 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 13.065 -46.941 23.785 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 15.862 -37.487 27.750 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 14.944 -37.785 27.903 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 16.253 -38.195 27.199 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 18.686 -37.379 27.512 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 17.867 -37.158 27.988 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 18.505 -38.264 27.133 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 13.114 -38.372 27.552 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 13.622 -39.159 27.265 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 12.199 -38.558 27.248 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 9.915 -33.355 26.295 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 10.079 -34.257 25.950 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 9.064 -33.435 26.775 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 3.569 -36.788 30.601 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 3.566 -35.828 30.434 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 2.768 -37.108 30.134 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 1.639 -43.369 29.910 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 2.058 -43.045 29.083 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 1.542 -44.338 29.760 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 2.815 -34.579 29.032 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 3.191 -34.454 28.128 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 2.241 -35.368 28.943 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 14.325 -46.214 17.074 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 13.908 -46.991 17.491 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 13.576 -45.681 16.755 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 14.958 -28.955 30.286 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 14.270 -28.670 29.640 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 14.676 -28.568 31.117 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 6.065 -37.492 29.712 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 5.914 -38.105 28.959 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 5.172 -37.357 30.096 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 0.835 -39.392 28.116 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 0.620 -40.181 28.657 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 1.714 -39.601 27.724 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 6.416 -49.180 27.305 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 5.853 -49.615 27.949 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 6.329 -48.221 27.519 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 10.171 -41.787 24.715 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 9.967 -42.368 23.952 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 10.690 -41.044 24.318 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 10.658 -38.694 26.240 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 10.820 -38.749 25.269 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 9.907 -39.294 26.387 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 7.815 -45.043 23.285 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 7.063 -44.807 22.704 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 8.498 -44.370 23.074 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 2.448 -38.459 32.600 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 2.993 -37.868 32.051 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 2.512 -39.331 32.152 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 6.060 -41.526 24.765 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 5.238 -41.004 24.608 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 5.830 -42.424 24.455 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 13.734 -38.265 24.584 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 13.019 -38.804 24.171 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 13.264 -37.508 24.972 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 8.206 -35.993 29.206 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 8.964 -36.588 29.231 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 7.429 -36.582 29.394 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 -0.142 -41.340 29.884 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 -1.050 -41.693 29.866 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 0.427 -42.146 29.884 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 5.982 -39.069 27.453 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 6.762 -39.635 27.306 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 5.870 -38.592 26.599 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 6.744 -34.297 30.881 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 6.121 -34.965 31.191 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 7.427 -34.810 30.407 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 18.200 -33.656 28.032 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 18.405 -32.956 28.662 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 19.022 -34.200 28.002 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 7.509 -33.936 27.518 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 6.778 -34.257 26.967 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 7.750 -34.709 28.076 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 10.340 -36.017 25.476 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 10.105 -36.748 26.074 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 10.426 -36.458 24.590 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 12.726 -30.389 26.829 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 11.891 -30.528 26.323 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 12.984 -31.286 27.119 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 7.068 -44.877 25.931 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 6.860 -43.942 26.053 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 7.486 -44.917 25.043 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 8.194 -40.469 26.092 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 8.936 -40.971 25.686 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 7.395 -40.830 25.648 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -0.585 -32.725 28.801 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.323 -32.601 29.133 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -0.714 -31.977 28.177 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -0.162 -38.314 33.372 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -0.129 -37.966 34.266 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 0.782 -38.325 33.084 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 12.997 -35.940 26.208 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 13.104 -36.672 26.853 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 12.031 -35.908 26.038 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 2.260 -40.810 31.222 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 1.344 -40.864 30.905 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 2.609 -41.701 31.083 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 2.425 -42.448 27.464 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 3.112 -43.085 27.147 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 2.834 -41.564 27.318 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 4.099 -44.357 26.593 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 3.811 -45.293 26.559 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 4.505 -44.200 25.712 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 4.850 -43.870 24.020 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 4.110 -43.232 23.838 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 5.054 -44.252 23.143 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 5.737 -38.331 24.851 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 4.958 -38.878 24.590 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 6.482 -38.757 24.413 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 -1.382 -45.524 34.062 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 -1.189 -46.454 33.916 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 -1.356 -45.424 35.038 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 6.134 -46.550 27.866 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 6.641 -45.990 27.241 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 5.408 -45.984 28.151 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 -1.121 -45.694 36.814 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 -0.327 -45.972 37.282 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 -1.736 -45.447 37.513 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 12.589 -32.150 29.630 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 12.841 -31.368 30.135 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 11.646 -32.252 29.802 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 14.087 -32.721 27.474 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 14.627 -33.540 27.591 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 13.555 -32.665 28.304 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 9.718 -43.338 22.417 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 9.558 -43.081 21.486 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 10.280 -44.142 22.345 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 13.308 -41.924 23.070 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 12.658 -41.185 23.099 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 14.181 -41.479 23.172 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 -1.394 -43.897 31.844 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 -1.499 -44.380 32.695 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 -0.554 -44.220 31.494 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 13.634 -48.347 18.792 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 14.580 -48.484 19.005 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 13.324 -47.718 19.485 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 -0.398 -46.163 26.839 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 -1.375 -46.018 26.894 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 -0.211 -46.154 25.882 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 -1.138 -35.578 28.855 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 -0.881 -34.640 28.748 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 -2.084 -35.536 29.111 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 3.674 -33.980 26.508 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 4.426 -33.885 25.888 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 3.093 -33.219 26.295 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 6.400 -32.098 29.308 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 6.423 -32.794 30.006 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 6.878 -32.506 28.556 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 10.539 -30.879 25.324 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 10.304 -31.731 25.760 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 10.145 -30.956 24.427 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 14.489 -30.723 24.742 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 13.846 -30.451 25.429 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 15.354 -30.658 25.191 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 12.990 -46.570 20.735 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 12.080 -46.283 20.960 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 13.559 -45.890 21.155 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 14.054 -44.466 22.255 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 13.718 -43.580 22.524 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 14.881 -44.267 21.758 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 8.726 -47.592 22.622 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 8.552 -48.151 23.406 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 8.257 -46.757 22.821 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 2.898 -48.187 28.392 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 3.229 -47.777 27.570 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 2.108 -48.689 28.106 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 12.947 -28.299 28.567 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 12.440 -27.601 28.140 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 12.918 -29.044 27.923 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 -2.849 -21.055 -30.274 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 -3.125 -21.588 -31.050 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 -1.972 -21.423 -30.035 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 -3.444 -22.452 -32.614 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 -4.336 -22.394 -32.190 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 -3.637 -22.640 -33.539 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 10.399 -18.257 -32.315 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 11.035 -18.939 -32.559 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 10.336 -17.699 -33.097 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 4.879 -19.484 -27.523 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 4.708 -18.742 -28.143 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 5.858 -19.520 -27.466 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 -0.139 -16.023 -35.814 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 0.018 -16.784 -35.216 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 -0.053 -16.396 -36.698 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 6.268 -18.499 -31.385 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 5.721 -18.429 -32.172 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 5.687 -18.183 -30.660 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 8.683 -18.329 -30.201 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 7.829 -18.412 -30.692 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 9.365 -18.346 -30.910 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 3.779 -21.775 -28.565 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 3.878 -21.596 -29.506 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 4.141 -20.971 -28.129 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 6.430 -14.683 -26.763 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 7.090 -14.016 -26.531 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 6.860 -15.533 -26.533 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 0.716 -13.586 -33.725 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 1.443 -13.636 -34.357 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 -0.092 -13.625 -34.285 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 3.678 -23.527 -26.478 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 3.710 -24.381 -26.926 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 3.670 -22.869 -27.216 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 7.863 -22.468 -21.750 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 8.566 -21.996 -21.253 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 8.341 -22.894 -22.492 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 4.824 -22.162 -24.355 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 4.956 -22.855 -23.675 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 4.527 -22.657 -25.146 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 12.192 -12.743 -24.505 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 11.775 -13.615 -24.671 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 12.940 -12.720 -25.107 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 9.502 -16.272 -28.566 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 10.232 -15.924 -29.091 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 9.141 -17.004 -29.116 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 -0.473 -22.340 -29.676 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 0.422 -22.294 -29.321 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 -0.992 -22.784 -28.965 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 3.276 -20.125 -25.386 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 3.845 -19.854 -26.137 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 3.841 -20.736 -24.871 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 9.010 -24.010 -23.781 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 8.383 -24.723 -23.496 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 8.809 -23.882 -24.714 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 9.051 -16.573 -23.850 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 8.551 -16.738 -24.677 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 9.076 -17.444 -23.409 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 4.874 -17.397 -29.294 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 4.010 -16.916 -29.305 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 5.520 -16.708 -29.086 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 7.665 -10.624 -31.847 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 7.208 -9.922 -32.317 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 8.485 -10.763 -32.366 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 11.269 -15.294 -24.745 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 10.464 -15.762 -24.422 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 11.976 -15.598 -24.142 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 -1.620 -13.798 -35.129 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 -1.132 -14.570 -35.499 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 -2.560 -14.090 -35.129 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 9.492 -18.935 -22.326 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 9.563 -19.812 -21.894 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 10.391 -18.787 -22.705 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 7.919 -16.987 -26.409 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 7.653 -17.883 -26.698 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 8.570 -16.705 -27.086 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 5.236 -23.709 -22.089 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 4.485 -23.640 -21.459 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 5.905 -23.096 -21.734 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 6.027 -20.489 -22.455 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 5.546 -20.916 -23.187 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 6.741 -21.118 -22.242 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 7.609 -19.360 -27.878 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 7.974 -19.013 -28.725 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 8.082 -20.188 -27.739 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 11.202 -23.169 -22.385 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 11.963 -23.705 -22.623 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 10.463 -23.559 -22.900 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 4.309 -27.919 -20.997 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 4.320 -28.626 -20.313 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 4.198 -27.093 -20.480 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 0.008 -30.069 -23.563 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 0.254 -31.001 -23.539 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 0.768 -29.611 -23.138 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 -1.805 -11.185 -34.156 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 -1.865 -12.113 -34.480 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 -1.463 -10.695 -34.914 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 0.377 -15.965 -32.422 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 0.644 -16.586 -33.124 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 0.579 -15.081 -32.795 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 12.638 -16.042 -22.446 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 11.797 -15.713 -22.049 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 13.304 -15.895 -21.744 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 -0.552 -19.041 -31.719 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 -0.647 -19.975 -32.024 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 -0.402 -19.121 -30.763 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 -3.422 -26.672 -22.504 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 -3.727 -25.955 -23.097 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 -2.982 -27.310 -23.106 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 -5.742 -22.044 -31.280 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 -5.794 -22.509 -30.421 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 -6.486 -21.424 -31.255 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 10.310 -15.039 -21.450 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 9.570 -15.404 -21.963 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 9.877 -14.621 -20.664 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 9.634 -14.196 -26.693 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 9.539 -14.859 -27.404 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 10.261 -14.608 -26.063 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 0.644 -14.132 -28.877 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 -0.241 -13.733 -29.037 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 1.270 -13.384 -29.020 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 6.038 -11.506 -27.111 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 7.005 -11.519 -26.974 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 5.936 -11.502 -28.085 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 9.849 -10.636 -33.564 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 10.776 -10.515 -33.333 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 9.853 -10.736 -34.521 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 2.851 -15.692 -29.076 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 1.994 -15.229 -29.153 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 3.521 -14.970 -29.133 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 4.900 -13.956 -28.950 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 5.463 -14.141 -28.169 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 5.355 -13.215 -29.402 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 10.811 -34.092 -19.589 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 9.997 -34.529 -19.892 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 11.181 -34.706 -18.927 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 11.481 -12.566 -21.839 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 11.097 -13.468 -21.800 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 11.802 -12.482 -22.767 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 3.155 -24.061 -16.607 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 3.733 -23.512 -17.152 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 2.328 -24.141 -17.139 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 3.200 -24.815 -13.985 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 2.615 -25.589 -14.060 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 3.242 -24.459 -14.899 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 16.460 -28.782 -12.085 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 15.705 -29.117 -12.618 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 16.893 -28.125 -12.669 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 2.614 -24.272 -10.939 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 1.888 -24.349 -11.595 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 3.350 -23.882 -11.445 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 12.863 -14.514 -9.292 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 11.988 -14.948 -9.401 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 12.825 -13.743 -9.896 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 9.552 -17.873 -16.177 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 10.200 -18.594 -16.212 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 10.088 -17.077 -16.014 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 8.091 -24.424 -19.677 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 8.335 -23.619 -19.159 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 7.858 -24.074 -20.553 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 14.306 -21.306 -5.288 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 13.932 -20.453 -5.571 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 15.019 -21.476 -5.928 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 12.139 -20.399 -19.009 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 12.544 -19.511 -19.104 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 12.768 -20.891 -18.436 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 8.360 -22.094 -18.332 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 7.858 -21.927 -17.517 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 9.201 -21.635 -18.187 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 4.789 -14.875 -9.600 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 4.836 -14.946 -10.581 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 5.525 -15.449 -9.282 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 11.339 -31.620 -18.648 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 11.169 -31.048 -19.405 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 11.186 -32.531 -18.998 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 14.168 -15.562 -20.177 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 13.705 -14.730 -19.916 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 15.101 -15.325 -20.160 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 1.655 -17.034 -14.789 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 1.769 -16.416 -15.539 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 1.510 -17.899 -15.213 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 12.414 -15.542 -4.822 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 12.231 -16.446 -4.489 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 12.339 -14.978 -4.023 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 10.499 -15.850 -9.222 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 10.906 -16.331 -8.466 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 9.784 -15.315 -8.808 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 6.832 -14.168 -17.507 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 7.730 -13.912 -17.209 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 6.561 -13.446 -18.109 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 10.199 -21.163 -20.881 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 10.858 -20.903 -20.202 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 10.662 -21.861 -21.406 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 7.037 -28.014 -21.363 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 6.063 -27.977 -21.238 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 7.204 -28.918 -21.657 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 6.675 -25.215 -17.489 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 7.189 -24.958 -18.285 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 7.166 -24.804 -16.749 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 10.400 -20.758 -16.925 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 10.763 -21.602 -16.580 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 11.038 -20.489 -17.617 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 0.365 -29.638 -13.288 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 0.443 -29.548 -14.250 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 1.112 -30.233 -13.041 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 0.274 -27.144 -17.900 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 0.027 -27.550 -18.745 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 0.531 -27.902 -17.337 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 3.543 -26.772 -16.522 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 3.508 -25.794 -16.461 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 2.921 -27.073 -15.829 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 1.555 -27.094 -14.669 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 0.772 -26.811 -14.176 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 1.260 -27.901 -15.143 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 3.549 -20.486 -14.499 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 3.056 -21.226 -14.084 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 2.900 -20.078 -15.096 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 4.306 -25.950 -19.035 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 5.153 -25.628 -18.670 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 3.878 -26.401 -18.277 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 11.084 -11.734 -3.378 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 11.424 -11.648 -4.302 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 10.756 -10.853 -3.166 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 0.648 -29.293 -16.119 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 -0.155 -29.865 -16.128 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 1.304 -29.792 -16.665 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 7.081 -25.672 -22.938 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 7.074 -26.472 -22.378 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 6.296 -25.166 -22.645 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 8.675 -23.753 -15.694 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 9.578 -23.612 -16.035 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 8.640 -23.218 -14.890 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 13.723 -18.644 -5.833 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 14.506 -18.503 -5.250 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 12.954 -18.479 -5.239 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 13.593 -18.068 -19.056 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 13.540 -17.150 -19.395 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 14.480 -18.357 -19.300 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 13.515 -13.819 -6.658 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 13.304 -14.207 -7.535 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 13.132 -14.456 -6.016 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 13.112 -13.082 -19.636 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 13.276 -12.212 -19.197 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 12.536 -12.856 -20.400 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 7.879 -20.533 -15.951 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 8.810 -20.461 -16.248 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 7.950 -20.742 -15.002 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 8.783 -27.147 -19.381 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 8.711 -26.173 -19.453 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 8.246 -27.480 -20.130 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 5.934 -27.860 -17.338 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 6.394 -26.994 -17.368 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 5.072 -27.654 -16.916 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 2.315 -30.464 -17.909 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 3.216 -30.182 -18.183 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 1.839 -30.593 -18.757 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 1.949 -23.575 -24.310 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 2.568 -23.566 -25.069 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 2.391 -24.123 -23.650 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 6.662 -12.895 -9.181 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 6.265 -12.025 -8.936 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 5.898 -13.500 -9.222 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 5.143 -18.087 -7.317 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 5.725 -17.599 -7.935 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 5.602 -18.019 -6.456 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 9.026 -17.925 -3.215 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 8.671 -18.789 -2.931 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 9.039 -17.390 -2.390 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 9.294 -13.509 -19.447 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 9.434 -13.555 -18.478 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 9.144 -12.569 -19.619 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 -0.736 -24.747 -6.934 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 -0.113 -24.512 -7.650 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -0.449 -25.643 -6.655 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 6.853 -16.418 -8.750 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 7.530 -15.828 -8.342 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 7.372 -17.079 -9.231 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 3.436 -21.894 -5.581 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 3.371 -22.409 -4.751 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 4.049 -22.428 -6.145 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 3.089 -23.865 -20.274 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 3.512 -24.675 -19.915 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 2.233 -23.825 -19.816 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 12.015 -18.565 -23.228 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 12.772 -18.914 -23.706 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 12.288 -17.657 -22.973 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 14.624 -12.001 -8.533 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 14.269 -12.481 -7.760 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 15.515 -12.389 -8.661 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 16.000 -15.764 -5.152 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 15.271 -15.178 -5.393 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 16.701 -15.551 -5.801 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 11.690 -18.115 -4.072 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 11.945 -18.794 -3.407 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 10.724 -18.000 -3.934 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 12.644 -18.162 -16.423 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 12.998 -18.121 -17.332 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 13.295 -18.711 -15.935 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 14.641 -19.577 -15.096 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 15.019 -19.023 -14.393 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 15.187 -20.398 -15.065 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 13.661 -21.619 -17.027 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 13.903 -21.023 -16.293 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 14.469 -22.156 -17.175 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 1.725 -22.038 -13.212 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 1.294 -22.910 -13.097 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 0.989 -21.396 -13.140 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 15.924 -23.229 -17.429 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 16.504 -23.284 -18.195 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 15.881 -24.158 -17.091 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 1.494 -24.169 -8.446 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 2.300 -24.401 -7.922 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 1.805 -24.180 -9.377 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 12.257 -30.237 -7.539 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 11.429 -29.927 -7.113 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 12.952 -29.928 -6.953 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 10.860 -27.959 -17.241 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 10.103 -28.570 -17.153 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 10.570 -27.322 -17.909 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 0.295 -24.314 -12.434 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 -0.425 -23.976 -13.018 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 -0.183 -24.658 -11.645 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 15.601 -27.156 -8.475 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 16.426 -27.279 -8.986 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 15.018 -27.876 -8.799 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 -1.464 -31.040 -15.803 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 -0.891 -31.785 -15.505 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 -2.268 -31.478 -16.115 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 10.984 -15.350 -13.074 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 11.025 -15.574 -14.027 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 11.283 -14.420 -13.037 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 3.035 -16.459 -8.163 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 3.612 -17.094 -7.691 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 3.656 -15.793 -8.517 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 11.885 -17.014 -7.197 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 11.818 -16.401 -6.443 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 12.595 -17.628 -6.938 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 9.673 -13.286 -5.723 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 9.730 -13.325 -4.762 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 10.388 -12.669 -5.980 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 14.741 -29.283 -9.927 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 15.227 -29.242 -10.774 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 14.010 -29.906 -10.100 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 -0.933 -14.217 -14.605 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 -0.661 -13.273 -14.645 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 -0.680 -14.500 -13.700 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 8.384 -12.886 -11.366 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 7.767 -12.868 -10.602 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 8.793 -13.757 -11.320 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 15.280 -15.820 -9.190 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 14.404 -15.389 -9.241 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 15.899 -15.080 -9.058 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 11.439 -23.271 -16.411 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 12.259 -22.765 -16.586 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 11.747 -24.170 -16.245 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 2.287 -31.352 -12.467 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 2.842 -32.022 -12.895 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 1.969 -31.799 -11.647 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 -1.164 -29.296 -19.606 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 -0.312 -29.700 -19.872 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 -1.834 -29.946 -19.905 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 8.403 -29.176 -17.512 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 8.529 -28.533 -18.244 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 7.493 -29.002 -17.203 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 4.689 -29.686 -18.995 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 5.270 -30.428 -19.291 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 5.262 -29.152 -18.401 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 11.453 -15.834 -15.742 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 11.908 -16.692 -15.920 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 12.033 -15.165 -16.179 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 1.795 -30.079 -6.895 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 2.320 -30.744 -7.397 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 0.995 -30.562 -6.638 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 12.264 -14.013 -2.500 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 11.745 -13.217 -2.764 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 13.107 -13.653 -2.195 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 9.276 -20.174 4.164 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 8.741 -19.749 4.873 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 10.148 -19.732 4.225 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 1.807 -14.017 5.517 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 1.541 -13.272 6.070 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 2.444 -14.509 6.071 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 4.033 -26.482 3.550 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 3.261 -26.262 4.121 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 4.283 -25.639 3.158 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 0.909 -16.602 5.227 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 1.036 -15.631 5.193 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 1.610 -16.952 4.654 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 10.395 -11.650 7.318 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 10.391 -11.684 6.357 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 10.889 -12.457 7.584 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 0.168 -29.091 9.213 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 -0.333 -29.778 9.692 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 1.045 -29.116 9.619 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 9.040 -19.705 -0.086 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 9.994 -19.478 -0.042 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 8.609 -19.037 0.490 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 9.960 -12.888 0.034 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 10.447 -12.440 -0.663 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 10.589 -12.909 0.791 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 13.156 -15.598 1.354 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 13.148 -16.468 1.809 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 12.683 -15.768 0.510 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 14.227 -18.805 8.681 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 14.071 -17.836 8.735 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 14.913 -18.974 9.357 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 8.893 -21.862 1.765 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 9.038 -21.398 2.610 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 8.909 -21.153 1.100 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 11.732 -18.988 4.787 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 11.775 -18.177 5.310 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 12.072 -19.681 5.392 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 5.724 -17.665 5.069 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 4.903 -17.550 4.554 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 5.852 -16.799 5.508 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 11.779 -13.952 7.737 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 12.366 -13.930 6.941 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 11.816 -14.872 8.032 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 8.963 -23.669 -0.504 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 9.598 -23.160 -1.050 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 9.001 -23.235 0.374 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 7.629 -14.148 -0.551 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 8.483 -13.711 -0.304 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 6.975 -13.446 -0.463 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 4.619 -17.114 12.923 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 4.476 -18.046 12.668 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 4.892 -17.160 13.857 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 3.593 -19.633 -4.026 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 2.812 -19.042 -4.100 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 3.460 -20.296 -4.739 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 -1.196 -16.761 7.020 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 -1.918 -16.800 6.388 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 -0.387 -16.795 6.462 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 8.091 -15.416 10.463 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 7.327 -15.110 10.997 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 8.425 -16.194 10.948 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 1.536 -17.231 12.114 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 0.804 -17.890 12.100 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 2.339 -17.771 12.162 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 10.273 -21.994 -2.311 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 9.566 -21.330 -2.355 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 11.098 -21.465 -2.323 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 5.110 -17.384 1.592 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 5.187 -16.831 0.775 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 4.784 -18.232 1.271 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 0.083 -31.277 1.932 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 0.390 -31.927 2.572 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 0.903 -30.851 1.606 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 -2.464 -28.813 -3.844 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 -1.733 -28.288 -3.436 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 -2.605 -28.384 -4.718 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 5.346 -31.311 2.785 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 5.803 -31.458 1.957 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 4.887 -30.458 2.660 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 6.816 -23.909 -2.190 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 7.572 -24.012 -1.567 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 6.318 -23.163 -1.834 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 4.928 -25.265 -4.635 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 4.475 -25.043 -5.482 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 5.110 -26.211 -4.707 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 -0.249 -19.308 12.167 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 -0.200 -19.705 13.063 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 -0.021 -20.037 11.573 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 4.298 -28.811 2.193 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 4.845 -28.613 1.403 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 4.242 -27.950 2.670 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 7.942 -20.394 -2.516 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 7.027 -20.754 -2.506 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 8.147 -20.226 -1.565 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 3.422 -15.591 7.052 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 3.185 -16.489 6.781 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 4.389 -15.535 6.879 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 8.937 -16.535 -0.807 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 8.465 -15.672 -0.819 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 8.635 -16.957 0.027 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -3.244 -22.077 12.580 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -3.455 -21.680 11.705 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -3.238 -21.304 13.194 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 11.037 -16.070 9.978 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 10.631 -15.223 10.216 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 10.465 -16.735 10.413 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 17.117 -24.851 -2.236 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 16.560 -25.494 -2.733 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 16.471 -24.189 -1.894 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 16.493 -21.978 10.490 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 15.791 -22.436 10.990 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 16.331 -21.033 10.665 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 14.598 -13.973 3.026 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 15.495 -13.863 2.696 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 14.186 -14.610 2.402 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 3.466 -16.689 3.712 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 3.290 -15.745 3.627 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 3.990 -16.910 2.911 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 3.482 -23.391 -3.265 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 2.624 -23.777 -3.049 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 4.020 -24.158 -3.573 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 5.543 -16.127 -0.736 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 5.349 -16.423 -1.645 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 6.277 -15.493 -0.840 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 8.217 -15.053 7.777 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 9.061 -14.595 7.708 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 8.113 -15.221 8.744 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 11.788 -18.734 0.082 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 12.305 -18.650 0.913 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 11.796 -17.828 -0.295 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 14.046 -15.220 11.767 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 14.910 -14.811 11.988 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 13.501 -14.467 11.430 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 13.120 -18.151 2.456 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 12.524 -18.472 3.162 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 14.019 -18.413 2.768 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 1.319 -14.999 10.579 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 2.052 -14.489 10.977 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 1.378 -15.879 11.018 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 7.563 -20.403 -5.341 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 7.951 -20.354 -4.448 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 7.131 -19.532 -5.456 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 4.657 -17.185 -3.276 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 3.895 -16.653 -3.543 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 4.364 -18.110 -3.426 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 1.640 -17.712 -4.187 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 0.983 -17.553 -3.499 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 1.175 -17.519 -5.010 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 5.456 -20.908 -8.423 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 5.113 -20.146 -7.930 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 5.277 -21.678 -7.840 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 -0.280 -27.415 -3.049 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 0.133 -26.573 -3.260 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 0.355 -28.087 -3.390 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 12.530 -10.580 10.524 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 11.681 -10.263 10.145 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 13.115 -9.821 10.458 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 0.327 -12.648 13.785 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 0.838 -13.471 13.894 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 -0.326 -12.867 13.087 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 6.470 -14.697 14.576 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 6.741 -13.766 14.658 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 6.331 -14.817 13.615 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 11.667 -16.141 -0.850 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 10.687 -16.212 -0.854 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 11.856 -15.419 -1.487 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 0.425 -20.541 14.531 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 0.562 -21.419 14.120 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 1.090 -20.507 15.246 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 8.200 -20.991 -8.283 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 7.248 -21.019 -8.527 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 8.194 -20.727 -7.348 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 6.222 -21.425 11.918 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 7.120 -21.536 11.571 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 6.357 -21.231 12.879 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 6.724 -17.822 -5.013 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 6.088 -17.467 -4.358 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 7.597 -17.600 -4.639 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 12.114 -19.574 10.236 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 12.707 -19.323 9.497 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 12.061 -20.554 10.174 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 2.289 -21.307 11.036 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 2.885 -21.616 10.320 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 2.805 -20.612 11.493 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 5.394 -21.448 -2.986 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 4.705 -22.148 -2.957 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 4.904 -20.649 -3.280 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 8.932 -24.826 10.932 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 9.764 -24.854 11.418 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 8.781 -23.879 10.771 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 12.275 -20.086 -2.246 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 13.194 -20.428 -2.261 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 12.171 -19.717 -1.340 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 10.613 -20.292 12.401 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 11.139 -19.850 11.704 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 10.506 -19.606 13.093 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 1.135 -21.800 -7.017 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 1.176 -22.669 -7.470 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 1.934 -21.789 -6.448 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 13.451 -14.112 5.569 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 14.168 -14.594 6.035 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 13.803 -13.980 4.665 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 12.929 -21.536 13.491 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 12.984 -20.943 14.270 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 12.060 -21.327 13.096 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 15.410 -18.987 3.679 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 15.285 -19.304 4.598 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 16.341 -18.749 3.635 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 18.505 -24.005 0.056 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 18.061 -24.312 -0.758 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 18.633 -24.820 0.580 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 13.643 -16.189 9.204 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 12.685 -16.201 9.440 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 14.063 -15.725 9.957 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 15.696 -22.843 -1.111 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 15.365 -22.047 -1.577 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 16.233 -22.492 -0.394 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 -1.257 -16.274 9.748 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 -0.373 -15.894 9.847 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 -1.330 -16.461 8.784 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 11.554 -22.256 10.208 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 10.795 -22.073 10.778 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 11.166 -22.706 9.426 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 2.202 -25.902 5.482 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 1.383 -25.708 5.948 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 2.646 -26.575 6.043 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 15.717 -26.494 -3.931 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 14.827 -26.863 -3.990 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 16.012 -26.419 -4.858 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 2.217 -29.907 0.855 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 1.779 -29.121 0.507 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 2.934 -29.550 1.428 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 12.059 -13.073 1.799 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 12.675 -12.724 2.459 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 12.366 -13.988 1.649 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 1.695 -15.095 13.869 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 1.612 -15.901 13.314 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 1.325 -15.362 14.737 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 5.798 -14.912 11.934 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 5.004 -14.359 11.810 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 5.434 -15.799 12.167 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 9.370 -17.609 11.614 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 9.683 -17.596 12.544 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 9.179 -18.541 11.443 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 2.322 -13.501 8.433 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 2.770 -14.263 8.009 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 1.714 -13.912 9.075 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 10.332 -9.684 9.180 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 9.766 -9.032 8.762 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 10.349 -10.435 8.539 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 12.685 -13.310 10.408 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 12.404 -13.402 9.481 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 12.682 -12.338 10.562 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 7.902 -17.722 1.498 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 8.248 -17.740 2.400 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 6.941 -17.561 1.614 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 5.990 -15.241 6.296 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 6.771 -15.280 6.902 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 6.056 -14.372 5.885 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 -1.139 -30.886 -2.271 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 -0.435 -31.292 -2.818 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 -1.585 -30.270 -2.876 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 2.672 -27.099 -6.577 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 3.472 -27.648 -6.638 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 2.991 -26.190 -6.788 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 8.411 -19.924 21.823 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 8.328 -20.520 21.051 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 9.217 -20.234 22.280 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 7.814 -21.805 19.931 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 6.895 -21.985 20.160 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 8.300 -22.610 20.243 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 10.641 -11.371 25.286 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 11.127 -10.772 25.861 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 9.849 -11.632 25.820 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 4.678 -23.763 24.715 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 4.113 -24.552 24.823 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 5.313 -24.019 24.030 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 10.887 -25.459 24.108 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 10.127 -25.054 24.587 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 10.818 -26.422 24.314 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 7.436 -18.856 16.451 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 6.705 -18.253 16.214 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 8.106 -18.271 16.840 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 3.899 -20.792 29.262 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 3.350 -20.062 29.617 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 4.160 -20.480 28.368 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 13.491 -28.551 23.287 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 13.883 -29.380 23.627 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 14.261 -28.014 23.023 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 -0.088 -18.788 26.583 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 0.302 -19.576 26.978 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 -0.042 -18.112 27.299 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 16.222 -29.502 21.880 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 16.883 -29.922 22.478 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 16.139 -28.586 22.219 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 12.356 -13.566 25.154 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 12.468 -13.729 24.215 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 11.748 -12.802 25.193 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 10.608 -23.585 17.351 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 10.935 -23.549 18.275 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 10.144 -22.726 17.228 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 13.445 -23.241 17.667 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 13.075 -23.342 18.569 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 12.709 -23.486 17.085 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 8.790 -24.121 20.845 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 9.499 -24.705 21.160 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 7.958 -24.613 21.050 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 12.447 -21.230 25.287 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 13.104 -20.873 25.891 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 12.680 -22.182 25.211 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 5.068 -22.825 30.688 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 4.777 -22.012 30.221 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 5.458 -23.381 29.980 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 2.976 -21.619 25.255 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 3.606 -22.320 24.973 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 2.337 -21.558 24.511 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 11.518 -12.189 18.568 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 12.351 -12.125 18.094 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 11.391 -11.293 18.952 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 2.304 -15.723 28.935 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 2.248 -14.839 28.510 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 3.101 -16.135 28.534 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 8.754 -16.379 17.844 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 9.074 -15.473 17.634 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 8.072 -16.233 18.516 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 10.348 -8.004 22.906 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 10.421 -7.096 23.209 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 10.063 -7.926 21.971 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 2.437 -31.516 26.142 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 3.142 -31.161 26.722 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 1.920 -30.726 25.884 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 6.569 -23.057 26.741 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 6.392 -23.513 27.587 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 5.835 -23.340 26.160 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 8.078 -24.655 17.194 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 7.676 -23.779 17.253 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 9.043 -24.471 17.159 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 5.255 -24.465 32.797 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 6.062 -24.173 33.235 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 5.121 -23.802 32.073 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 8.983 -21.384 17.511 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 8.532 -20.642 17.079 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 8.572 -21.429 18.403 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 2.078 -23.704 26.812 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 2.317 -22.841 26.423 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 2.059 -23.534 27.782 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 10.545 -20.442 23.544 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 10.150 -19.676 23.972 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 11.238 -20.741 24.181 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 10.968 -28.181 24.330 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 10.763 -29.035 24.748 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 11.857 -28.318 23.930 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 2.260 -18.655 29.810 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 2.819 -18.125 29.205 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 2.124 -18.066 30.583 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 5.352 -16.959 15.690 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 5.881 -16.181 15.385 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 4.622 -16.556 16.220 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 6.741 -20.567 25.519 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 6.775 -21.469 25.914 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 7.610 -20.196 25.706 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 10.573 -18.291 16.996 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 10.026 -17.521 17.270 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 10.783 -18.735 17.826 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 3.271 -26.007 26.138 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 2.747 -25.190 26.307 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 3.110 -26.560 26.939 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 5.856 -19.708 22.765 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 5.966 -20.051 23.669 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 6.770 -19.702 22.400 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 1.799 -25.523 16.217 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 1.813 -25.199 17.142 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 0.858 -25.437 15.949 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 6.597 -16.385 27.397 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 7.522 -16.474 27.648 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 6.572 -15.559 26.864 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 4.363 -19.860 26.722 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 3.752 -20.443 26.213 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 5.235 -20.001 26.294 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 13.108 -17.252 14.457 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 13.496 -16.369 14.491 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 13.387 -17.602 13.578 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 12.847 -19.723 15.648 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 12.001 -19.597 16.111 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 13.066 -18.827 15.307 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 7.833 -11.691 16.680 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 7.540 -11.872 15.766 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 8.379 -12.469 16.918 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 3.216 -15.937 17.058 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 2.299 -16.035 16.717 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 3.139 -15.274 17.750 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 8.647 -24.336 25.260 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 8.107 -23.845 25.906 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 7.993 -24.805 24.711 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 9.259 -13.679 17.972 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 10.072 -13.184 18.227 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 8.699 -13.648 18.769 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 13.001 -23.794 24.583 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 12.255 -24.439 24.571 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 13.693 -24.223 24.048 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 3.947 -19.372 15.243 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 3.205 -19.546 15.867 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 4.335 -18.531 15.558 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 2.000 -12.995 30.574 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 2.962 -13.195 30.587 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 1.765 -13.022 29.626 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 11.428 -9.623 19.527 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 12.074 -9.318 20.171 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 10.659 -9.034 19.663 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 1.624 -16.539 31.461 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 2.000 -16.093 30.670 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 1.380 -15.800 32.056 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 3.987 -19.734 12.503 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 3.890 -19.772 13.482 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 4.787 -20.270 12.319 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 10.492 -18.109 14.124 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 11.348 -17.639 14.210 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 10.185 -18.206 15.046 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 2.383 -23.054 29.429 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 2.883 -22.216 29.344 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 2.827 -23.519 30.147 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 6.297 -20.579 14.500 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 5.426 -20.351 14.879 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 6.934 -20.139 15.094 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 6.867 -25.867 23.812 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 7.266 -26.745 23.762 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 6.661 -25.642 22.866 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 4.427 -26.376 17.088 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 3.857 -25.721 16.655 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 4.525 -26.031 18.016 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 14.194 -23.232 11.730 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 13.770 -23.301 10.849 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 13.626 -22.595 12.217 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 5.972 -26.069 26.549 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 6.373 -25.999 25.667 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 5.010 -26.153 26.369 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 2.917 -27.293 28.520 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 3.429 -27.022 29.301 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 2.433 -28.085 28.813 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 4.268 -30.822 28.072 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 4.502 -29.995 28.518 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 5.001 -31.431 28.301 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 4.598 -26.405 30.808 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 4.784 -25.815 31.564 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 4.167 -27.182 31.211 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 5.885 -24.784 28.948 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 5.451 -25.396 29.579 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 6.009 -25.327 28.137 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 3.159 -28.743 31.306 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 4.048 -29.123 31.103 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 2.546 -29.466 31.111 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 5.545 -29.675 30.382 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 5.871 -30.574 30.154 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 6.286 -29.095 30.174 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 -0.450 -18.444 16.112 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 -0.306 -19.078 15.380 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 -1.390 -18.580 16.363 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 11.819 -23.478 19.839 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 11.582 -24.334 20.256 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 11.927 -22.870 20.600 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 12.140 -22.436 22.324 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 12.390 -22.768 23.207 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 11.484 -21.736 22.512 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 14.905 -21.075 16.988 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 14.213 -20.458 16.685 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 14.402 -21.822 17.389 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 11.292 -25.630 21.414 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 11.141 -25.503 22.380 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 12.022 -26.262 21.373 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 -0.376 -26.974 27.287 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 -0.306 -27.127 28.250 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 -1.275 -27.257 27.067 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 0.705 -14.189 32.645 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 0.924 -13.644 33.407 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 1.083 -13.693 31.877 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 4.159 -17.465 27.994 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 4.190 -18.291 27.463 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 5.051 -17.066 27.863 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 16.309 -31.076 26.788 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 16.730 -30.458 27.434 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 15.583 -31.488 27.292 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 1.483 -13.351 27.867 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 1.738 -12.759 27.137 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 0.513 -13.460 27.763 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 5.216 -12.648 24.180 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 4.434 -12.362 24.682 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 5.280 -11.998 23.446 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 12.285 -15.688 26.926 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 13.012 -15.485 27.514 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 12.274 -14.944 26.290 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 14.822 -29.429 19.518 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 15.411 -29.315 20.296 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 14.006 -29.802 19.896 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 9.237 -7.880 16.988 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 8.713 -8.561 17.460 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 9.911 -8.382 16.523 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 1.121 -29.548 29.114 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 0.445 -29.759 28.434 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 1.513 -30.422 29.334 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 2.197 -31.998 29.453 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 2.928 -31.643 28.905 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 2.386 -32.965 29.496 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 -0.342 -19.659 29.439 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 -0.663 -18.946 30.039 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 0.632 -19.614 29.521 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 1.457 -26.613 32.061 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 2.021 -27.383 31.846 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 1.928 -26.175 32.809 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 -1.831 -15.396 32.381 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 -1.010 -14.925 32.619 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 -2.252 -14.818 31.708 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 0.561 -10.089 -26.499 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 1.362 -9.718 -26.089 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 0.180 -9.336 -27.005 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 6.013 -11.609 -29.877 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 6.724 -11.397 -30.526 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 5.256 -11.052 -30.166 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 8.676 -11.702 -26.343 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 9.083 -12.599 -26.431 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 9.337 -11.107 -26.713 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 2.243 -10.480 -22.992 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 1.563 -10.029 -22.449 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 2.344 -9.899 -23.780 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 2.323 -12.051 -28.803 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 1.905 -11.262 -29.210 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 3.269 -11.933 -28.976 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 5.366 -8.730 -24.116 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 6.090 -8.092 -24.331 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 5.814 -9.603 -24.108 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 6.643 -11.149 -24.451 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 6.092 -11.268 -25.254 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 7.554 -11.294 -24.772 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 2.814 -8.901 -25.155 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 2.694 -8.028 -25.547 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 3.760 -8.911 -24.879 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 6.831 -11.911 -21.782 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 7.757 -11.687 -21.579 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 6.725 -11.666 -22.723 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 3.543 -9.443 -20.783 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 3.439 -9.872 -21.655 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 4.163 -8.702 -20.951 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 7.320 -6.866 -24.302 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 7.954 -6.570 -24.960 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 7.420 -6.221 -23.564 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 5.985 -15.412 -19.769 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 5.725 -14.496 -19.998 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 6.528 -15.303 -18.962 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 -1.849 -9.942 -22.448 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 -1.540 -9.151 -21.984 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 -2.644 -10.218 -21.949 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 1.150 -10.172 -30.480 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 0.643 -10.829 -31.004 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 0.528 -9.421 -30.380 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 -0.821 -12.444 -26.863 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 -1.218 -12.391 -27.748 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 -0.405 -11.564 -26.733 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 -0.431 -11.926 -31.853 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 -0.998 -11.559 -32.560 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 0.141 -12.570 -32.322 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 9.414 -10.987 -20.984 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 10.156 -11.606 -21.187 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 9.633 -10.190 -21.480 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 6.318 -8.144 -16.430 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 5.545 -7.604 -16.164 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 7.070 -7.558 -16.307 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 2.305 -9.651 -13.087 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 3.181 -9.195 -13.059 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 2.170 -9.959 -12.164 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 6.086 -10.851 -16.803 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 6.943 -10.976 -17.242 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 6.049 -9.886 -16.624 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 12.480 -10.200 -8.156 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 12.119 -9.945 -9.024 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 13.349 -10.590 -8.363 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 13.290 -10.689 -18.366 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 13.698 -9.825 -18.261 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 12.400 -10.588 -17.950 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 5.421 -10.557 -8.461 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 4.506 -10.217 -8.516 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 5.842 -9.991 -7.808 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 8.325 -10.310 -18.506 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 8.697 -10.503 -19.391 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 7.569 -9.738 -18.686 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 0.807 -9.246 -21.051 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 0.447 -8.358 -20.811 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 1.734 -9.217 -20.741 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 -0.401 -11.581 -14.877 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 -0.668 -10.748 -14.472 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 -0.451 -11.405 -15.851 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 -2.564 -6.314 -19.579 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 -3.133 -5.588 -19.848 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 -3.138 -6.866 -19.002 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 5.600 -12.738 -19.529 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 4.884 -12.105 -19.324 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 6.028 -12.368 -20.341 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 4.127 -6.719 -15.480 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 3.270 -7.197 -15.419 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 3.875 -5.811 -15.686 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 4.955 -7.265 -21.748 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 4.196 -6.744 -22.032 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 5.252 -7.719 -22.562 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 11.646 -9.809 -10.854 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 11.785 -8.928 -11.218 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 10.890 -10.166 -11.372 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 0.046 -6.782 -20.304 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 0.397 -5.915 -20.561 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 -0.876 -6.592 -20.007 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 3.389 -11.147 -18.697 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 2.786 -10.596 -18.163 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 3.586 -10.586 -19.479 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 0.825 -7.561 -7.970 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 -0.005 -7.699 -8.438 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 0.720 -6.702 -7.548 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 2.073 -10.554 -10.489 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 2.399 -11.479 -10.379 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 2.355 -10.103 -9.664 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 10.835 -10.363 -17.244 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 10.677 -10.792 -16.380 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 9.943 -10.285 -17.638 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 9.448 -13.640 -16.685 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 9.672 -12.917 -16.059 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 9.973 -14.395 -16.371 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 1.706 -9.202 -17.630 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 1.708 -8.767 -16.749 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 1.734 -8.467 -18.256 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 1.871 -4.291 -21.303 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 2.197 -3.618 -20.699 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 1.801 -3.838 -22.149 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 4.542 -8.145 -13.110 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 4.646 -7.582 -13.899 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 5.051 -7.696 -12.428 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 2.902 -9.353 -8.071 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 3.144 -9.417 -7.123 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 2.179 -8.687 -8.088 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 8.588 -14.455 -7.952 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 8.923 -14.077 -7.103 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 8.001 -13.755 -8.308 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 1.663 -7.984 -15.153 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 0.920 -7.475 -14.804 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 1.857 -8.643 -14.442 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 -0.327 -11.067 -17.526 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 -0.991 -11.005 -18.247 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 0.318 -10.360 -17.732 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 -0.177 -11.798 -11.564 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 -0.865 -11.544 -10.941 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 0.630 -11.361 -11.219 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 11.900 -11.671 -5.944 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 12.553 -12.364 -6.174 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 12.004 -10.998 -6.659 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 10.348 -11.734 -14.853 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 11.123 -12.196 -14.465 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 9.945 -11.273 -14.093 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 13.045 -12.173 -10.805 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 13.720 -12.059 -10.100 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 12.535 -11.333 -10.785 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 9.498 -10.662 -12.396 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 8.717 -10.099 -12.388 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 9.173 -11.526 -12.036 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 12.309 -12.929 -13.331 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 12.563 -12.624 -12.430 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 13.148 -13.162 -13.747 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 7.443 -5.126 -22.189 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 6.853 -5.530 -21.539 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 7.632 -4.251 -21.830 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 3.588 -9.364 -5.372 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 3.800 -8.592 -4.836 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 3.219 -9.994 -4.745 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 3.896 -2.568 19.262 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 4.218 -3.476 19.021 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 4.586 -1.981 18.931 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 -0.959 -13.847 11.663 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 -0.139 -14.159 11.240 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 -1.652 -14.384 11.258 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 -0.104 -3.537 17.437 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 0.071 -2.806 18.074 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 -1.083 -3.628 17.442 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 7.550 -9.905 12.369 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 6.981 -10.006 11.566 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 8.436 -9.764 12.012 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 3.916 -11.896 10.030 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 3.396 -12.181 9.248 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 3.743 -12.593 10.690 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 4.940 -4.889 18.311 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 4.240 -5.219 17.719 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 5.671 -5.532 18.196 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 5.946 -10.048 10.158 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 5.291 -10.772 10.041 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 5.865 -9.526 9.355 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 5.403 -6.467 15.031 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 4.576 -5.992 15.270 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 6.035 -6.211 15.728 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 3.103 -5.514 16.216 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 2.978 -4.537 16.284 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 2.194 -5.862 16.102 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 6.711 -11.912 14.143 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 7.254 -11.283 13.623 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 5.853 -11.926 13.672 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 5.490 -8.978 13.978 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 5.459 -8.005 14.132 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 6.302 -9.110 13.443 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 4.346 -11.250 12.855 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 4.516 -10.379 13.271 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 4.209 -11.040 11.914 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 3.318 -13.674 12.130 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 3.543 -12.836 12.593 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 2.833 -14.198 12.808 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 -0.500 -7.655 20.289 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 -0.027 -7.914 19.466 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 0.120 -7.893 21.009 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 -0.879 -5.063 23.506 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 -0.291 -5.656 24.019 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 -1.767 -5.354 23.735 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 2.912 -11.880 25.761 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 3.273 -10.967 25.768 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 2.172 -11.841 25.110 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 1.081 -6.597 24.667 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 1.646 -6.144 24.001 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 1.569 -6.483 25.507 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 7.365 -3.552 23.089 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 8.300 -3.443 22.890 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 7.238 -4.526 23.127 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 2.998 -5.828 26.539 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 3.079 -5.198 27.263 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 3.673 -5.534 25.886 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 3.736 -7.524 21.569 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 3.545 -8.321 22.107 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 3.273 -6.797 22.041 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 2.746 -5.408 22.918 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 2.692 -4.577 22.398 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 3.487 -5.250 23.543 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 2.932 -7.264 19.006 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 3.290 -7.362 19.913 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 2.400 -6.436 19.049 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 8.389 -11.963 26.636 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 7.923 -12.806 26.460 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 7.725 -11.415 27.066 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 7.452 -9.533 18.244 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 7.368 -9.871 19.155 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 7.572 -10.347 17.695 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 4.764 -4.864 24.626 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 4.889 -3.930 24.356 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 5.551 -5.325 24.262 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 6.780 -6.229 23.252 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 6.731 -7.099 23.704 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 6.691 -6.456 22.298 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 -1.335 -10.280 23.061 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 -0.706 -9.552 22.865 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 -2.196 -9.945 22.730 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 4.174 -9.476 25.205 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 3.775 -9.598 24.311 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 5.098 -9.212 25.016 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 6.359 -7.391 20.842 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 6.599 -8.332 20.887 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 5.381 -7.388 20.937 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 2.953 -8.513 27.436 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 3.421 -8.863 26.649 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 2.852 -7.564 27.248 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 -2.751 -4.050 17.936 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 -2.420 -4.536 18.735 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 -3.557 -3.623 18.240 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 3.605 -10.508 29.183 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 2.931 -10.598 29.865 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 3.312 -9.732 28.652 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 1.441 -5.023 19.332 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 1.037 -4.644 20.133 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 0.904 -4.664 18.605 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 6.764 -6.824 17.462 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 7.704 -6.879 17.186 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 6.613 -7.658 17.942 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 7.360 -10.030 21.020 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 6.482 -10.366 21.332 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 7.983 -10.304 21.731 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 9.282 -8.068 20.387 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 8.740 -7.399 19.941 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 8.664 -8.812 20.534 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 2.880 -2.944 21.793 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 3.275 -2.841 20.899 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 3.575 -2.611 22.401 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 5.001 -2.325 23.497 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 5.175 -1.472 23.912 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 5.896 -2.653 23.234 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 4.767 -12.422 27.716 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 4.059 -12.427 27.038 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 4.530 -11.657 28.298 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 6.484 -13.917 26.222 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 5.911 -13.453 26.872 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 6.156 -13.601 25.350 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 0.719 -8.486 22.703 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 1.588 -8.948 22.717 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 0.761 -7.872 23.470 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 -1.179 -14.282 27.847 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 -2.053 -14.459 27.444 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 -0.796 -15.176 27.985 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 6.517 -8.967 23.843 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 5.950 -9.514 23.249 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 7.392 -9.405 23.803 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 8.932 -10.274 23.307 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 9.529 -9.499 23.199 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 9.427 -10.870 23.904 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 7.211 -14.387 20.025 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 6.281 -14.102 20.139 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 7.571 -14.377 20.918 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 4.694 -13.511 30.263 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 4.800 -13.169 29.353 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 5.586 -13.734 30.538 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 21.018 -53.599 -6.058 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 20.420 -52.941 -6.446 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 20.446 -54.378 -5.893 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 15.768 -53.534 -8.444 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 15.122 -53.135 -9.064 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 15.793 -52.897 -7.690 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 19.499 -55.675 -5.141 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 18.799 -56.353 -5.244 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 19.770 -55.755 -4.211 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 19.959 -55.574 -2.320 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 20.539 -54.873 -2.709 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 19.472 -55.107 -1.599 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 16.127 -56.302 -8.909 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 17.050 -56.584 -8.697 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 16.181 -55.328 -8.949 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 18.449 -52.822 -9.073 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 17.548 -53.143 -8.890 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 18.726 -52.392 -8.237 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 24.308 -49.456 -4.218 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 24.600 -48.880 -3.479 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 23.602 -50.002 -3.828 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 18.497 -57.033 -7.762 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 18.244 -57.444 -6.912 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 19.304 -56.546 -7.557 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 16.919 -49.008 -15.208 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 16.726 -48.923 -14.251 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 17.407 -49.853 -15.278 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 18.611 -51.232 -15.116 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 19.271 -51.565 -14.465 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 18.689 -51.837 -15.860 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 21.511 -53.594 -3.371 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 21.517 -53.641 -4.354 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 21.723 -52.661 -3.179 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 21.759 -50.505 -6.178 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 21.932 -50.717 -5.242 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 22.584 -50.069 -6.480 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 18.049 -47.348 -10.930 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 18.561 -48.025 -10.444 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 17.352 -47.085 -10.304 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 24.047 -46.209 -12.231 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 24.036 -45.363 -11.785 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 23.520 -46.059 -13.043 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 20.624 -51.857 -13.341 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 21.582 -51.820 -13.438 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 20.489 -52.197 -12.423 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 20.327 -56.398 7.856 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 19.916 -55.562 7.611 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 20.491 -56.311 8.819 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 18.556 -54.816 3.851 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 19.003 -55.403 4.492 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 19.036 -54.975 3.014 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 16.084 -62.946 -0.249 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 15.426 -62.343 -0.649 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 15.681 -63.813 -0.317 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 17.711 -58.116 4.587 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 18.096 -58.900 4.154 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 18.487 -57.572 4.830 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 17.169 -61.271 1.732 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 17.049 -61.990 1.080 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 16.356 -60.728 1.635 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 20.366 -56.009 10.584 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 21.148 -56.214 11.106 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 19.775 -55.528 11.217 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 20.865 -58.242 2.967 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 21.518 -58.666 2.402 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 20.176 -58.932 3.101 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 19.047 -60.259 3.359 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 18.357 -60.520 2.697 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 19.292 -61.091 3.778 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 18.027 -57.242 9.613 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 18.476 -57.461 8.787 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 18.725 -56.842 10.162 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 18.665 -54.949 12.357 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 18.168 -55.300 13.111 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 18.459 -53.991 12.364 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 20.009 -56.726 5.158 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 20.618 -57.218 4.573 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 20.396 -56.825 6.053 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 14.866 -59.861 11.455 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 15.006 -60.471 12.184 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 13.903 -59.909 11.283 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 24.010 -49.397 1.291 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 24.860 -49.003 1.015 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 23.411 -48.629 1.379 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 18.015 -57.775 -2.406 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 18.150 -58.333 -1.631 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 18.735 -57.116 -2.356 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 20.839 -44.799 1.038 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 20.772 -44.702 0.062 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 21.342 -45.630 1.163 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 17.825 -52.352 12.616 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 16.888 -52.269 12.322 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 18.310 -51.711 12.055 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 21.994 -50.754 -3.266 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 21.444 -49.942 -3.388 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 22.170 -50.780 -2.300 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 22.382 -50.688 -0.502 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 23.108 -50.502 0.131 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 21.889 -49.832 -0.552 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 18.853 -54.234 -0.212 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 19.092 -54.747 0.585 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 19.215 -53.334 -0.035 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 24.858 -47.791 -2.088 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 24.084 -47.210 -1.909 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 25.243 -47.954 -1.204 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 19.950 -51.797 0.317 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 20.858 -51.552 0.042 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 19.450 -50.947 0.275 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 17.653 -57.659 -5.206 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 16.736 -57.757 -5.552 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 17.572 -57.855 -4.250 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 18.658 -49.130 13.177 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 18.041 -48.411 12.931 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 18.834 -49.591 12.337 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 15.077 -57.013 17.587 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 15.105 -56.660 16.663 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 15.757 -57.690 17.599 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 20.020 -55.807 1.762 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 20.226 -56.650 2.211 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 20.772 -55.677 1.141 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 21.868 -55.483 -0.258 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 21.349 -55.681 -1.058 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 22.419 -54.734 -0.513 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 22.871 -46.047 -1.437 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 21.969 -46.332 -1.712 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 22.840 -45.083 -1.508 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 13.696 -59.111 3.666 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 14.420 -58.575 4.062 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 13.290 -59.568 4.431 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 19.320 -50.649 10.924 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 19.163 -50.727 9.952 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 20.273 -50.524 10.997 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 14.817 -50.784 5.351 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 15.792 -50.751 5.259 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 14.552 -51.522 4.788 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 16.375 -53.404 4.466 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 17.127 -53.981 4.190 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 16.807 -52.576 4.753 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 22.447 -48.814 6.117 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 23.261 -49.015 5.641 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 22.491 -47.866 6.277 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 18.644 -52.082 18.744 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 19.498 -52.174 19.176 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 18.562 -51.115 18.578 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 16.745 -53.429 17.371 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 17.433 -52.892 17.839 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 16.804 -54.299 17.785 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 15.093 -49.718 21.778 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 15.711 -50.430 21.956 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 15.483 -49.246 21.011 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 18.535 -49.386 18.285 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 18.646 -49.549 17.315 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 18.793 -48.443 18.398 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 15.764 -42.698 -10.111 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 15.631 -42.987 -9.195 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 15.770 -41.722 -10.056 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 18.638 -47.045 -16.552 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 18.420 -46.947 -17.504 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 17.985 -47.685 -16.223 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 18.520 -41.390 -16.334 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 18.109 -42.253 -16.306 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 18.969 -41.310 -15.467 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 19.583 -41.540 -13.796 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 18.865 -41.524 -13.130 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 20.375 -41.731 -13.283 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 20.966 -45.739 -8.953 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 21.223 -44.821 -8.714 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 20.868 -45.714 -9.927 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 20.258 -42.759 -10.872 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 20.180 -43.683 -11.189 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 19.396 -42.354 -11.101 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 19.510 -42.379 -6.387 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 18.675 -42.420 -5.894 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 20.150 -42.001 -5.745 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 20.619 -33.229 -3.703 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 19.695 -32.921 -3.715 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 20.774 -33.473 -2.766 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 16.296 -39.888 -10.191 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 16.355 -38.906 -10.220 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 16.099 -40.084 -9.251 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 13.681 -34.462 -10.184 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 14.270 -33.758 -9.849 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 13.242 -34.060 -10.956 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 18.521 -45.761 -7.686 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 18.921 -45.923 -6.812 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 19.289 -45.702 -8.289 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 16.116 -48.594 -12.546 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 15.558 -47.837 -12.842 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 16.889 -48.168 -12.119 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 18.009 -38.238 -7.476 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 18.760 -38.811 -7.660 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 17.557 -38.670 -6.722 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 16.786 -39.725 -5.529 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 16.719 -39.217 -4.686 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 17.142 -40.592 -5.252 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 19.955 -45.428 -11.572 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 20.099 -45.606 -12.525 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 19.236 -46.046 -11.325 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 19.688 -49.110 -13.605 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 19.202 -49.580 -14.303 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 20.135 -49.815 -13.116 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 17.893 -32.353 -6.612 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 18.318 -32.604 -5.782 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 17.148 -32.986 -6.701 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 20.505 -33.667 -1.017 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 19.561 -33.875 -0.867 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 20.656 -32.853 -0.498 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 16.832 -38.674 -3.034 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 17.304 -37.842 -2.927 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 16.328 -38.772 -2.195 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 21.298 -43.083 -8.366 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 20.570 -42.771 -7.781 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 21.013 -42.815 -9.269 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 23.053 -43.177 -6.259 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 22.547 -43.833 -5.737 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 22.556 -43.107 -7.104 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 22.460 -45.458 -14.335 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 21.548 -45.818 -14.266 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.525 -45.157 -15.244 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 21.814 -44.764 -4.383 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 21.119 -45.347 -4.734 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 21.521 -44.568 -3.470 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 20.681 -47.944 -7.176 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 21.431 -48.524 -6.961 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 21.079 -47.218 -7.698 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 21.459 -41.531 -4.648 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 21.494 -41.773 -3.696 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 22.213 -42.009 -5.047 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 23.827 -48.820 -6.782 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 24.127 -49.024 -5.863 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 24.488 -48.207 -7.115 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 26.490 -45.624 -2.790 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 26.029 -46.479 -2.701 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 25.979 -45.152 -3.485 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 11.340 -31.119 -14.010 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 11.774 -30.359 -14.456 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 10.460 -31.167 -14.432 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 17.841 -41.671 -11.665 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 17.435 -40.841 -11.337 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 17.213 -42.365 -11.386 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 19.925 -46.446 -14.175 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 19.884 -47.386 -13.882 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 19.443 -46.446 -15.033 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 12.146 -44.798 -19.453 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 12.660 -45.029 -20.232 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 12.686 -45.132 -18.703 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 16.599 -47.455 -8.497 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 17.309 -48.126 -8.605 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 17.074 -46.662 -8.157 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 17.946 -32.609 -3.202 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 17.098 -32.914 -3.592 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 17.944 -33.001 -2.302 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 19.227 -43.689 8.404 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 19.814 -43.452 9.143 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 18.396 -43.931 8.835 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 18.665 -44.207 2.690 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.496 -44.380 2.197 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 18.960 -44.045 3.604 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 24.289 -43.596 3.636 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 23.696 -43.239 2.935 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 23.774 -43.491 4.452 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 19.182 -50.925 8.199 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 18.399 -51.358 7.846 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 19.631 -50.559 7.406 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 21.237 -34.217 12.045 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 20.755 -33.984 12.874 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 20.527 -34.518 11.434 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 19.876 -43.493 5.644 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 19.572 -43.602 6.570 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 20.808 -43.246 5.729 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 21.249 -30.958 11.813 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 21.707 -30.190 12.230 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 20.764 -31.381 12.560 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 15.218 -35.869 0.371 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 15.334 -35.125 0.981 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 14.234 -36.067 0.411 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 21.465 -40.423 0.657 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 22.007 -39.600 0.716 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 20.597 -40.153 0.979 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 20.722 -36.095 3.834 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 21.587 -36.490 3.607 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 20.067 -36.714 3.450 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 25.413 -41.670 5.912 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 25.810 -42.247 5.250 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 24.494 -41.981 5.979 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 22.116 -33.062 15.814 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 22.832 -33.333 15.211 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 21.293 -33.287 15.320 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 19.028 -39.831 10.097 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 18.449 -40.387 10.686 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 18.705 -40.019 9.208 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 24.587 -34.974 1.903 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 24.005 -34.971 1.112 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 25.482 -34.761 1.547 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 22.622 -37.939 1.004 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 22.935 -37.697 1.896 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 22.646 -37.099 0.508 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 23.575 -33.841 13.483 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 24.003 -33.154 12.944 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 22.787 -34.104 12.956 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 27.007 -34.073 1.073 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 27.622 -34.246 0.355 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 26.883 -33.101 1.053 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 20.058 -50.067 5.693 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 20.921 -49.623 5.860 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 19.950 -50.021 4.720 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 27.589 -45.414 -0.318 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 27.143 -45.436 -1.199 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 28.464 -45.066 -0.508 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 22.735 -40.631 7.772 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 22.394 -40.535 8.691 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 23.448 -39.964 7.712 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 22.319 -42.712 2.012 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 21.734 -43.431 1.689 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 22.022 -41.921 1.519 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 17.821 -44.046 11.050 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 17.530 -43.103 11.144 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 18.793 -44.000 11.141 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 20.632 -48.444 -3.889 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 20.432 -48.010 -4.732 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 20.447 -47.754 -3.212 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 22.666 -42.353 5.684 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 22.291 -41.762 5.017 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 22.614 -41.830 6.525 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 20.919 -48.461 -0.567 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 20.086 -48.773 -0.137 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 20.633 -47.683 -1.096 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 21.308 -41.641 -1.887 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 21.012 -42.573 -1.753 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 21.439 -41.300 -0.980 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 19.266 -37.645 11.932 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 20.220 -37.697 12.096 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 19.080 -38.420 11.355 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 21.024 -33.830 5.308 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 20.969 -34.716 4.889 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 20.197 -33.756 5.815 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 25.002 -39.185 7.003 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 25.309 -40.093 6.788 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 25.038 -38.721 6.164 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 26.059 -33.252 9.487 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 26.949 -33.581 9.304 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 25.485 -33.783 8.912 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 15.300 -45.140 11.572 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 16.181 -44.769 11.341 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 14.736 -44.353 11.684 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 24.241 -34.873 -2.461 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 24.163 -35.827 -2.697 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 23.973 -34.405 -3.276 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 23.380 -36.749 3.511 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 23.528 -36.392 4.397 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 23.880 -36.137 2.921 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 18.617 -37.659 3.000 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 17.894 -37.711 2.371 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 18.178 -37.464 3.858 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 25.651 -32.655 -1.576 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 25.422 -32.158 -2.391 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 25.255 -33.538 -1.719 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 25.278 -45.390 1.785 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 26.018 -44.979 1.308 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 25.059 -44.744 2.496 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 18.347 -29.890 -2.846 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 18.284 -30.861 -2.963 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 17.431 -29.586 -2.894 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 22.782 -35.251 -0.172 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 21.960 -34.774 -0.396 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 23.341 -35.151 -0.974 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 19.329 -50.344 2.908 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 19.755 -51.109 2.492 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 19.068 -49.777 2.148 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 23.772 -37.434 -3.246 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 22.879 -37.847 -3.302 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 24.377 -38.173 -3.350 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 20.866 -36.787 14.423 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 20.634 -35.868 14.188 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 21.566 -36.686 15.108 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 21.592 -39.075 -3.461 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 21.359 -39.512 -2.629 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 21.510 -39.786 -4.130 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 21.703 -40.324 10.287 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 21.688 -40.636 11.209 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 20.775 -40.064 10.111 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 24.668 -44.687 -4.595 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 24.510 -44.036 -5.303 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 23.778 -45.010 -4.371 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 18.930 -40.221 15.744 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 18.636 -40.597 14.874 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 18.998 -41.005 16.333 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 20.510 -43.293 10.964 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 20.456 -42.522 11.566 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 21.455 -43.412 10.824 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 20.860 -41.150 12.796 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 19.903 -40.901 12.853 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 21.262 -40.731 13.583 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 24.629 -31.609 -3.873 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 24.111 -32.323 -4.299 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 24.107 -30.816 -4.023 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 17.654 -33.934 -0.770 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 17.274 -33.634 0.078 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 17.093 -34.683 -1.028 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 17.540 -50.976 4.963 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 18.268 -50.647 5.522 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 17.865 -50.829 4.051 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 22.588 -32.526 10.181 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 22.307 -33.446 10.330 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 22.019 -32.003 10.803 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 24.805 -31.991 11.711 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 25.458 -32.496 11.186 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 23.973 -32.071 11.193 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 25.184 -30.732 8.773 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 25.534 -31.615 9.006 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 25.411 -30.172 9.545 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 19.090 -35.119 10.630 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 19.068 -36.046 10.933 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 18.154 -34.895 10.476 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 22.964 -46.757 1.240 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 22.921 -46.662 0.267 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 23.747 -46.228 1.498 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 26.023 -47.687 0.443 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 26.872 -47.324 0.139 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 25.667 -46.989 1.031 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 26.410 -31.382 0.649 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 26.350 -30.417 0.478 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 26.142 -31.796 -0.209 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 17.020 -47.213 12.084 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 16.245 -46.611 12.104 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 17.733 -46.662 11.734 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 18.876 -50.087 15.711 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 18.776 -49.602 14.860 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 19.121 -50.976 15.444 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 18.679 -36.303 24.946 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 17.722 -36.443 24.779 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 18.810 -36.622 25.857 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 16.169 -44.024 20.591 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 16.751 -43.270 20.424 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 16.282 -44.591 19.803 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 17.284 -39.447 26.272 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 17.702 -39.805 25.469 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 16.418 -39.913 26.318 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 18.479 -40.335 23.738 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 19.371 -39.967 23.948 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 18.663 -41.014 23.058 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 20.452 -38.761 20.969 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 20.170 -37.921 21.391 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 20.835 -38.479 20.112 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 19.254 -41.263 21.154 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 19.560 -40.336 21.050 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 18.552 -41.361 20.487 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 20.382 -35.256 27.906 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 19.900 -36.110 27.851 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 21.163 -35.389 27.361 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 21.075 -34.673 17.959 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 20.784 -34.440 18.877 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 21.373 -33.824 17.577 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 15.804 -34.763 27.401 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 15.857 -35.729 27.574 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 16.685 -34.419 27.678 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 19.568 -42.270 17.457 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 20.343 -41.701 17.656 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 19.891 -43.182 17.625 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 15.764 -40.816 23.255 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 16.653 -40.759 23.644 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 15.888 -40.514 22.335 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 16.193 -40.042 20.667 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 16.619 -40.694 20.074 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 15.241 -40.071 20.410 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 21.537 -40.345 17.882 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 21.922 -40.247 16.991 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 21.407 -39.422 18.187 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 17.409 -41.903 19.064 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 16.703 -42.176 18.437 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 18.242 -42.043 18.554 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 21.083 -39.631 23.540 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 20.986 -39.329 22.614 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 22.024 -39.794 23.639 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 17.402 -38.191 22.253 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 16.906 -38.680 21.560 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 17.803 -38.896 22.798 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 22.292 -29.586 18.606 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 22.608 -29.940 17.738 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 22.475 -30.295 19.231 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 17.261 -33.042 25.207 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 17.850 -33.598 25.745 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 17.050 -32.281 25.797 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 24.749 -34.922 15.677 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 25.535 -34.387 15.813 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 24.401 -34.623 14.808 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 22.603 -36.395 16.473 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 22.182 -35.662 16.969 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 23.484 -36.033 16.213 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 22.938 -30.514 16.181 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 23.718 -30.499 15.579 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 22.560 -31.415 16.057 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 23.470 -27.143 17.974 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 22.857 -26.503 18.377 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 23.132 -28.010 18.266 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 21.464 -42.341 19.867 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 21.722 -41.558 19.345 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 20.774 -42.006 20.476 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 17.742 -29.967 18.027 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 17.719 -29.897 17.047 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 16.840 -29.753 18.305 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 24.900 -30.623 14.270 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 24.935 -31.128 13.440 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 25.141 -29.717 14.010 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 19.022 -35.686 16.437 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 19.612 -35.448 17.180 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 19.276 -35.058 15.726 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 21.261 -37.656 18.545 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 21.900 -37.438 17.832 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 20.846 -36.804 18.752 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 21.484 -39.577 15.083 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 21.493 -38.642 14.814 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 20.580 -39.719 15.428 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 21.288 -28.462 15.323 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 21.896 -29.193 15.571 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 20.772 -28.301 16.137 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 15.342 -32.012 21.167 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 15.685 -31.188 21.574 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 14.451 -31.772 20.870 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 16.097 -36.840 24.250 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 15.309 -37.388 24.446 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 16.483 -37.258 23.452 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 14.675 -40.258 26.282 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 14.450 -39.705 25.504 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 14.100 -41.055 26.184 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 16.560 -45.136 18.096 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 16.490 -44.279 17.641 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 15.808 -45.663 17.726 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 17.174 -29.503 28.820 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 16.371 -29.375 29.378 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 17.799 -28.858 29.159 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 20.011 -34.418 20.418 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 19.881 -35.090 21.118 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 19.297 -33.766 20.577 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 19.487 -36.464 22.292 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 19.496 -36.250 23.250 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 18.633 -36.929 22.164 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 18.779 -46.638 18.616 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 19.493 -45.972 18.587 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 17.968 -46.124 18.414 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 20.738 -44.570 18.497 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 21.019 -43.880 19.145 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 21.555 -45.028 18.273 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 18.747 -21.639 -13.948 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 19.578 -21.766 -14.414 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 18.998 -21.690 -12.997 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 25.836 -16.627 -8.362 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 26.438 -16.945 -7.687 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 26.349 -15.988 -8.858 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 16.783 -19.036 -13.053 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 17.374 -18.674 -12.359 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 17.208 -19.866 -13.318 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 16.220 -21.750 -15.113 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 17.108 -21.773 -14.696 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 16.300 -22.347 -15.880 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 19.829 -21.774 -11.415 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 20.626 -21.428 -11.007 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 19.399 -22.292 -10.698 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 15.452 -18.913 -8.043 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 14.856 -18.673 -7.309 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 15.731 -19.826 -7.834 1.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 16.129 -16.354 -12.881 1.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 16.819 -16.185 -12.229 1.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 16.264 -17.287 -13.130 1.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 17.915 -17.783 -8.487 1.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 18.341 -18.587 -8.106 1.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 16.951 -17.970 -8.414 1.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 19.428 -26.035 -9.172 1.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 18.770 -26.713 -9.455 1.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 19.722 -26.347 -8.300 1.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 16.017 -25.773 -16.470 1.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 15.658 -26.623 -16.752 1.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 16.487 -25.975 -15.647 1.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 18.612 -20.177 -7.395 1.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 19.283 -20.856 -7.265 1.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 17.769 -20.671 -7.406 1.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 17.801 -28.080 -9.795 1.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 17.979 -28.897 -9.285 1.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 17.369 -28.399 -10.620 1.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 18.288 -17.598 -11.223 1.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 18.113 -17.629 -10.257 1.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 19.245 -17.523 -11.288 1.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 14.954 -20.713 -2.719 1.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 14.713 -21.171 -3.555 1.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 15.292 -19.851 -3.013 1.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 19.070 -23.236 -9.179 1.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 19.304 -24.177 -9.316 1.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 18.599 -23.232 -8.332 1.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 19.137 -27.809 -6.841 1.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 19.015 -28.677 -7.275 1.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 19.556 -28.030 -5.974 1.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 20.751 -26.377 -2.456 1.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 20.390 -25.624 -2.962 1.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 21.203 -25.962 -1.695 1.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 13.153 -14.182 -17.064 1.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 12.913 -13.803 -17.933 1.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 14.059 -13.892 -16.922 1.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 16.166 -21.539 -7.361 1.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 16.712 -22.292 -7.028 1.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 15.503 -21.965 -7.949 1.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 17.010 -26.145 -6.412 1.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 17.793 -26.733 -6.518 1.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 16.389 -26.449 -7.115 1.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 17.696 -26.611 -13.403 1.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 17.370 -25.767 -13.073 1.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 18.604 -26.680 -13.026 1.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 20.015 -26.548 -11.908 1.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 19.844 -26.281 -10.984 1.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 20.919 -26.873 -11.895 1.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 14.079 -29.646 -13.154 1.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 13.625 -30.480 -12.982 1.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 13.628 -29.287 -13.947 1.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 15.862 -18.312 -4.171 1.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 15.904 -17.349 -4.389 1.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 16.786 -18.578 -4.102 1.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 16.891 -13.570 -8.693 1.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 17.628 -13.286 -9.245 1.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 17.308 -14.140 -8.009 1.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 18.537 -30.250 -8.214 1.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 18.240 -30.909 -7.542 1.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 19.010 -30.779 -8.866 1.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 23.073 -33.734 -4.736 1.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 22.896 -34.322 -5.477 1.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 22.175 -33.508 -4.389 1.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 18.983 -14.075 11.180 1.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 19.172 -14.850 10.612 1.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 19.750 -13.506 11.067 1.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 18.675 -27.299 6.805 1.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 18.146 -27.940 6.284 1.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 19.508 -27.203 6.288 1.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 20.767 -27.135 5.061 1.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 21.705 -26.960 4.928 1.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 20.477 -27.548 4.215 1.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 21.790 -19.563 10.965 1.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 21.288 -20.359 10.755 1.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 22.034 -19.681 11.909 1.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 16.787 -17.922 6.947 1.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 17.272 -18.291 7.715 1.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 16.211 -18.658 6.652 1.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 24.361 -29.126 6.743 1.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 25.037 -29.667 7.189 1.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 24.876 -28.451 6.255 1.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 21.817 -17.183 9.651 1.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 22.742 -16.929 9.624 1.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 21.820 -18.058 10.112 1.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 19.030 -22.793 9.671 1.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 18.118 -22.587 9.980 1.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 19.171 -22.177 8.918 1.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 18.146 -18.915 9.149 1.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 17.566 -19.139 9.902 1.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 18.659 -18.145 9.464 1.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 16.884 -16.616 10.746 1.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 17.718 -16.373 10.292 1.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 16.723 -15.875 11.361 1.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 19.322 -20.904 7.729 1.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 20.045 -20.449 7.283 1.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 18.866 -20.193 8.234 1.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 25.398 -29.305 11.097 1.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 25.166 -30.182 11.459 1.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 25.429 -28.722 11.889 1.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 21.943 -27.509 9.472 1.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 21.441 -26.677 9.546 1.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 22.882 -27.225 9.509 1.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 24.725 -25.563 3.668 1.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 24.766 -24.680 3.291 1.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 24.301 -26.105 2.964 1.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 21.464 -25.313 0.125 1.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 21.223 -24.381 0.037 1.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 20.681 -25.722 0.552 1.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 19.120 -28.004 -0.964 1.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 19.699 -27.500 -1.571 1.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 18.846 -28.781 -1.487 1.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 26.040 -29.064 3.477 1.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 26.940 -29.375 3.625 1.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 25.900 -28.394 4.181 1.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 19.159 -26.415 1.179 1.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 18.990 -27.012 0.407 1.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 19.397 -27.030 1.903 1.00 0.00 WAT1 ATOM 6776 OH2 TIP3 1457 23.451 -26.864 1.576 1.00 0.00 WAT1 ATOM 6777 H1 TIP3 1457 23.030 -27.751 1.553 1.00 0.00 WAT1 ATOM 6778 H2 TIP3 1457 22.864 -26.308 1.023 1.00 0.00 WAT1 ATOM 6779 OH2 TIP3 1458 15.906 -19.111 10.896 1.00 0.00 WAT1 ATOM 6780 H1 TIP3 1458 16.299 -18.203 10.878 1.00 0.00 WAT1 ATOM 6781 H2 TIP3 1458 15.127 -19.015 11.482 1.00 0.00 WAT1 ATOM 6782 OH2 TIP3 1459 22.010 -20.679 13.463 1.00 0.00 WAT1 ATOM 6783 H1 TIP3 1459 22.173 -21.128 14.296 1.00 0.00 WAT1 ATOM 6784 H2 TIP3 1459 21.471 -21.318 12.948 1.00 0.00 WAT1 ATOM 6785 OH2 TIP3 1460 20.136 -28.427 2.745 1.00 0.00 WAT1 ATOM 6786 H1 TIP3 1460 20.973 -28.721 2.328 1.00 0.00 WAT1 ATOM 6787 H2 TIP3 1460 19.485 -29.116 2.481 1.00 0.00 WAT1 ATOM 6788 OH2 TIP3 1461 24.609 -26.967 9.672 1.00 0.00 WAT1 ATOM 6789 H1 TIP3 1461 25.076 -27.759 10.005 1.00 0.00 WAT1 ATOM 6790 H2 TIP3 1461 25.211 -26.600 8.989 1.00 0.00 WAT1 ATOM 6791 OH2 TIP3 1462 19.297 -16.249 9.502 1.00 0.00 WAT1 ATOM 6792 H1 TIP3 1462 19.113 -15.981 8.569 1.00 0.00 WAT1 ATOM 6793 H2 TIP3 1462 20.243 -16.543 9.489 1.00 0.00 WAT1 ATOM 6794 OH2 TIP3 1463 19.043 -24.781 -4.157 1.00 0.00 WAT1 ATOM 6795 H1 TIP3 1463 18.714 -25.549 -4.642 1.00 0.00 WAT1 ATOM 6796 H2 TIP3 1463 18.431 -24.703 -3.389 1.00 0.00 WAT1 ATOM 6797 OH2 TIP3 1464 16.609 -14.422 12.442 1.00 0.00 WAT1 ATOM 6798 H1 TIP3 1464 16.781 -14.201 13.363 1.00 0.00 WAT1 ATOM 6799 H2 TIP3 1464 17.439 -14.158 11.973 1.00 0.00 WAT1 ATOM 6800 OH2 TIP3 1465 28.645 -24.956 8.955 1.00 0.00 WAT1 ATOM 6801 H1 TIP3 1465 28.824 -24.412 9.730 1.00 0.00 WAT1 ATOM 6802 H2 TIP3 1465 29.515 -25.237 8.654 1.00 0.00 WAT1 ATOM 6803 OH2 TIP3 1466 26.230 -25.624 7.860 1.00 0.00 WAT1 ATOM 6804 H1 TIP3 1466 25.877 -24.729 7.788 1.00 0.00 WAT1 ATOM 6805 H2 TIP3 1466 27.135 -25.494 8.233 1.00 0.00 WAT1 ATOM 6806 OH2 TIP3 1467 24.416 -31.102 2.521 1.00 0.00 WAT1 ATOM 6807 H1 TIP3 1467 25.075 -31.361 1.838 1.00 0.00 WAT1 ATOM 6808 H2 TIP3 1467 24.870 -30.398 3.031 1.00 0.00 WAT1 ATOM 6809 OH2 TIP3 1468 22.399 -29.433 1.511 1.00 0.00 WAT1 ATOM 6810 H1 TIP3 1468 23.126 -29.986 1.861 1.00 0.00 WAT1 ATOM 6811 H2 TIP3 1468 21.805 -30.075 1.069 1.00 0.00 WAT1 ATOM 6812 OH2 TIP3 1469 17.834 -23.512 -6.482 1.00 0.00 WAT1 ATOM 6813 H1 TIP3 1469 18.374 -23.552 -5.668 1.00 0.00 WAT1 ATOM 6814 H2 TIP3 1469 17.459 -24.417 -6.560 1.00 0.00 WAT1 ATOM 6815 OH2 TIP3 1470 18.274 -15.607 7.066 1.00 0.00 WAT1 ATOM 6816 H1 TIP3 1470 17.860 -16.458 6.828 1.00 0.00 WAT1 ATOM 6817 H2 TIP3 1470 17.571 -14.957 6.932 1.00 0.00 WAT1 ATOM 6818 OH2 TIP3 1471 13.607 -17.975 11.928 1.00 0.00 WAT1 ATOM 6819 H1 TIP3 1471 13.659 -17.023 11.688 1.00 0.00 WAT1 ATOM 6820 H2 TIP3 1471 12.960 -18.349 11.295 1.00 0.00 WAT1 ATOM 6821 OH2 TIP3 1472 20.635 -22.431 11.885 1.00 0.00 WAT1 ATOM 6822 H1 TIP3 1472 20.854 -23.356 12.089 1.00 0.00 WAT1 ATOM 6823 H2 TIP3 1472 20.004 -22.494 11.141 1.00 0.00 WAT1 ATOM 6824 OH2 TIP3 1473 20.443 -25.180 9.534 1.00 0.00 WAT1 ATOM 6825 H1 TIP3 1473 20.040 -24.283 9.583 1.00 0.00 WAT1 ATOM 6826 H2 TIP3 1473 19.978 -25.605 8.799 1.00 0.00 WAT1 ATOM 6827 OH2 TIP3 1474 24.054 -25.745 12.088 1.00 0.00 WAT1 ATOM 6828 H1 TIP3 1474 23.114 -25.489 12.073 1.00 0.00 WAT1 ATOM 6829 H2 TIP3 1474 24.248 -26.000 11.163 1.00 0.00 WAT1 ATOM 6830 OH2 TIP3 1475 19.536 -24.897 15.092 1.00 0.00 WAT1 ATOM 6831 H1 TIP3 1475 19.603 -25.551 14.371 1.00 0.00 WAT1 ATOM 6832 H2 TIP3 1475 20.374 -24.392 15.035 1.00 0.00 WAT1 ATOM 6833 OH2 TIP3 1476 25.084 -27.871 13.415 1.00 0.00 WAT1 ATOM 6834 H1 TIP3 1476 25.269 -27.669 14.366 1.00 0.00 WAT1 ATOM 6835 H2 TIP3 1476 24.811 -27.000 13.036 1.00 0.00 WAT1 ATOM 6836 OH2 TIP3 1477 18.230 -29.768 15.334 1.00 0.00 WAT1 ATOM 6837 H1 TIP3 1477 18.306 -29.211 14.546 1.00 0.00 WAT1 ATOM 6838 H2 TIP3 1477 18.785 -30.545 15.127 1.00 0.00 WAT1 ATOM 6839 OH2 TIP3 1478 22.559 -28.893 12.908 1.00 0.00 WAT1 ATOM 6840 H1 TIP3 1478 23.447 -28.516 13.041 1.00 0.00 WAT1 ATOM 6841 H2 TIP3 1478 22.058 -28.601 13.692 1.00 0.00 WAT1 ATOM 6842 OH2 TIP3 1479 25.427 -27.355 16.045 1.00 0.00 WAT1 ATOM 6843 H1 TIP3 1479 24.673 -27.250 16.671 1.00 0.00 WAT1 ATOM 6844 H2 TIP3 1479 26.205 -27.326 16.609 1.00 0.00 WAT1 ATOM 6845 OH2 TIP3 1480 15.232 -15.633 6.997 1.00 0.00 WAT1 ATOM 6846 H1 TIP3 1480 15.750 -16.461 6.945 1.00 0.00 WAT1 ATOM 6847 H2 TIP3 1480 14.697 -15.737 7.809 1.00 0.00 WAT1 ATOM 6848 OH2 TIP3 1481 25.849 -27.176 5.549 1.00 0.00 WAT1 ATOM 6849 H1 TIP3 1481 26.045 -26.651 6.353 1.00 0.00 WAT1 ATOM 6850 H2 TIP3 1481 25.487 -26.513 4.912 1.00 0.00 WAT1 ATOM 6851 OH2 TIP3 1482 24.491 -33.491 4.214 1.00 0.00 WAT1 ATOM 6852 H1 TIP3 1482 24.425 -32.608 3.828 1.00 0.00 WAT1 ATOM 6853 H2 TIP3 1482 24.580 -34.082 3.442 1.00 0.00 WAT1 ATOM 6854 OH2 TIP3 1483 20.064 -28.320 -4.336 1.00 0.00 WAT1 ATOM 6855 H1 TIP3 1483 20.479 -27.703 -3.701 1.00 0.00 WAT1 ATOM 6856 H2 TIP3 1483 19.539 -28.927 -3.772 1.00 0.00 WAT1 ATOM 6857 OH2 TIP3 1484 25.788 -28.694 0.747 1.00 0.00 WAT1 ATOM 6858 H1 TIP3 1484 25.876 -28.750 1.719 1.00 0.00 WAT1 ATOM 6859 H2 TIP3 1484 25.123 -28.007 0.609 1.00 0.00 WAT1 ATOM 6860 OH2 TIP3 1485 19.895 -27.099 13.420 1.00 0.00 WAT1 ATOM 6861 H1 TIP3 1485 20.416 -27.501 14.153 1.00 0.00 WAT1 ATOM 6862 H2 TIP3 1485 19.504 -27.871 12.960 1.00 0.00 WAT1 ATOM 6863 OH2 TIP3 1486 18.922 -29.596 12.625 1.00 0.00 WAT1 ATOM 6864 H1 TIP3 1486 19.130 -30.424 13.126 1.00 0.00 WAT1 ATOM 6865 H2 TIP3 1486 19.256 -29.774 11.735 1.00 0.00 WAT1 ATOM 6866 OH2 TIP3 1487 14.326 -24.392 22.119 1.00 0.00 WAT1 ATOM 6867 H1 TIP3 1487 14.909 -24.317 21.350 1.00 0.00 WAT1 ATOM 6868 H2 TIP3 1487 13.615 -23.746 21.944 1.00 0.00 WAT1 ATOM 6869 OH2 TIP3 1488 22.074 -23.904 14.523 1.00 0.00 WAT1 ATOM 6870 H1 TIP3 1488 21.982 -24.246 13.615 1.00 0.00 WAT1 ATOM 6871 H2 TIP3 1488 23.000 -24.058 14.742 1.00 0.00 WAT1 ATOM 6872 OH2 TIP3 1489 15.662 -26.854 22.514 1.00 0.00 WAT1 ATOM 6873 H1 TIP3 1489 16.449 -26.547 22.012 1.00 0.00 WAT1 ATOM 6874 H2 TIP3 1489 15.100 -26.059 22.580 1.00 0.00 WAT1 ATOM 6875 OH2 TIP3 1490 16.189 -26.071 18.697 1.00 0.00 WAT1 ATOM 6876 H1 TIP3 1490 15.402 -26.457 18.268 1.00 0.00 WAT1 ATOM 6877 H2 TIP3 1490 16.900 -26.179 18.030 1.00 0.00 WAT1 ATOM 6878 OH2 TIP3 1491 21.071 -26.251 19.250 1.00 0.00 WAT1 ATOM 6879 H1 TIP3 1491 20.621 -26.877 18.651 1.00 0.00 WAT1 ATOM 6880 H2 TIP3 1491 20.903 -26.620 20.149 1.00 0.00 WAT1 ATOM 6881 OH2 TIP3 1492 17.690 -25.855 20.955 1.00 0.00 WAT1 ATOM 6882 H1 TIP3 1492 17.106 -25.984 20.171 1.00 0.00 WAT1 ATOM 6883 H2 TIP3 1492 18.285 -25.116 20.686 1.00 0.00 WAT1 ATOM 6884 OH2 TIP3 1493 19.433 -24.113 19.802 1.00 0.00 WAT1 ATOM 6885 H1 TIP3 1493 19.719 -23.332 19.323 1.00 0.00 WAT1 ATOM 6886 H2 TIP3 1493 20.107 -24.791 19.582 1.00 0.00 WAT1 ATOM 6887 OH2 TIP3 1494 19.958 -28.346 17.793 1.00 0.00 WAT1 ATOM 6888 H1 TIP3 1494 19.200 -28.954 17.966 1.00 0.00 WAT1 ATOM 6889 H2 TIP3 1494 20.728 -28.805 18.201 1.00 0.00 WAT1 ATOM 6890 OH2 TIP3 1495 18.140 -26.369 16.813 1.00 0.00 WAT1 ATOM 6891 H1 TIP3 1495 18.744 -25.792 16.286 1.00 0.00 WAT1 ATOM 6892 H2 TIP3 1495 18.711 -27.105 17.107 1.00 0.00 WAT1 ATOM 6893 OH2 TIP3 1496 18.022 -32.468 20.636 1.00 0.00 WAT1 ATOM 6894 H1 TIP3 1496 17.048 -32.508 20.752 1.00 0.00 WAT1 ATOM 6895 H2 TIP3 1496 18.147 -31.848 19.902 1.00 0.00 WAT1 ATOM 6896 OH2 TIP3 1497 14.350 -27.779 17.398 1.00 0.00 WAT1 ATOM 6897 H1 TIP3 1497 13.434 -28.052 17.230 1.00 0.00 WAT1 ATOM 6898 H2 TIP3 1497 14.621 -28.321 18.172 1.00 0.00 WAT1 ATOM 6899 OH2 TIP3 1498 17.886 -31.220 23.175 1.00 0.00 WAT1 ATOM 6900 H1 TIP3 1498 18.160 -31.757 22.410 1.00 0.00 WAT1 ATOM 6901 H2 TIP3 1498 17.751 -31.872 23.890 1.00 0.00 WAT1 ATOM 6902 OH2 TIP3 1499 19.997 -27.319 21.510 1.00 0.00 WAT1 ATOM 6903 H1 TIP3 1499 19.890 -27.859 22.298 1.00 0.00 WAT1 ATOM 6904 H2 TIP3 1499 19.127 -26.884 21.398 1.00 0.00 WAT1 ATOM 6905 OH2 TIP3 1500 21.313 -25.151 12.144 1.00 0.00 WAT1 ATOM 6906 H1 TIP3 1500 21.034 -25.211 11.203 1.00 0.00 WAT1 ATOM 6907 H2 TIP3 1500 20.837 -25.896 12.581 1.00 0.00 WAT1 ATOM 6908 OH2 TIP3 1501 18.062 -15.452 -7.034 1.00 0.00 WAT1 ATOM 6909 H1 TIP3 1501 17.991 -16.272 -7.578 1.00 0.00 WAT1 ATOM 6910 H2 TIP3 1501 18.936 -15.511 -6.632 1.00 0.00 WAT1 END