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: -1834.39, 110.773, 154.367, 70.0279, 678.702, -651.93, -2205.14, 7.62962, 1.17656 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.740638E-03,0.479833,1.21816,42.5855,5.778411E-03,0.323094 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 72, 21 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:14:00 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 5.084 0.432 -19.781 1.00 3.24 ATOM 2 CB MET 1 3.670 1.806 -20.641 1.00 41.15 ATOM 3 HB1 MET 1 2.781 1.288 -20.305 1.00 38.14 ATOM 4 HB2 MET 1 3.476 2.237 -21.612 1.00 53.20 ATOM 5 CG MET 1 3.953 2.944 -19.667 1.00 14.22 ATOM 6 HG1 MET 1 4.841 3.466 -19.991 1.00 38.14 ATOM 7 HG2 MET 1 4.122 2.528 -18.683 1.00 5.54 ATOM 8 SD MET 1 2.595 4.127 -19.562 1.00 74.52 ATOM 9 CE MET 1 1.264 3.079 -18.975 1.00 54.31 ATOM 10 HE1 MET 1 1.538 2.652 -18.021 1.00 43.31 ATOM 11 HE2 MET 1 1.088 2.288 -19.687 1.00 54.21 ATOM 12 HE3 MET 1 0.364 3.667 -18.862 1.00 3.15 ATOM 13 C MET 1 4.370 -0.409 -21.611 1.00 0.31 ATOM 14 O MET 1 4.791 -0.567 -22.757 1.00 22.14 ATOM 15 N MET 1 6.026 1.440 -21.353 1.00 23.42 ATOM 16 HT1 MET 1 6.325 2.244 -20.768 1.00 38.14 ATOM 17 HT2 MET 1 5.825 1.785 -22.313 1.00 38.14 ATOM 18 HT3 MET 1 6.811 0.758 -21.407 1.00 38.14 ATOM 19 CA MET 1 4.821 0.791 -20.767 1.00 53.32 ATOM 20 N GLY 2 3.519 -1.256 -21.033 1.00 34.24 ATOM 21 HN GLY 2 3.248 -1.101 -20.102 1.00 38.14 ATOM 22 CA GLY 2 2.991 -2.412 -21.755 1.00 45.34 ATOM 23 HA1 GLY 2 3.439 -2.451 -22.738 1.00 38.14 ATOM 24 HA2 GLY 2 1.924 -2.288 -21.868 1.00 0.21 ATOM 25 C GLY 2 3.259 -3.735 -21.043 1.00 63.52 ATOM 26 O GLY 2 4.380 -4.000 -20.603 1.00 22.11 ATOM 27 N HIS 3 2.233 -4.573 -20.941 1.00 4.54 ATOM 28 HN HIS 3 1.373 -4.322 -21.342 1.00 38.14 ATOM 29 CA HIS 3 2.351 -5.866 -20.264 1.00 51.15 ATOM 30 HA HIS 3 2.983 -5.729 -19.396 1.00 40.12 ATOM 31 CB HIS 3 0.974 -6.354 -19.800 1.00 25.40 ATOM 32 HB1 HIS 3 1.085 -7.311 -19.308 1.00 38.14 ATOM 33 HB2 HIS 3 0.331 -6.471 -20.660 1.00 62.04 ATOM 34 CG HIS 3 0.296 -5.424 -18.844 1.00 41.21 ATOM 35 ND1 HIS 3 0.475 -5.498 -17.484 1.00 61.14 ATOM 36 HD1 HIS 3 1.058 -6.138 -17.017 1.00 22.34 ATOM 37 CD2 HIS 3 -0.576 -4.408 -19.050 1.00 60.54 ATOM 38 HD2 HIS 3 -0.949 -4.065 -20.005 1.00 63.43 ATOM 39 CE1 HIS 3 -0.252 -4.578 -16.893 1.00 50.43 ATOM 40 HE1 HIS 3 -0.309 -4.409 -15.828 1.00 32.25 ATOM 41 NE2 HIS 3 -0.900 -3.897 -17.816 1.00 23.34 ATOM 42 HE2 HIS 3 -1.326 -3.028 -17.663 1.00 38.14 ATOM 43 C HIS 3 2.995 -6.919 -21.180 1.00 51.32 ATOM 44 O HIS 3 2.323 -7.535 -22.010 1.00 52.34 ATOM 45 N HIS 4 4.302 -7.105 -21.039 1.00 72.40 ATOM 46 HN HIS 4 4.790 -6.565 -20.379 1.00 38.14 ATOM 47 CA HIS 4 5.037 -8.093 -21.837 1.00 33.32 ATOM 48 HA HIS 4 4.423 -8.366 -22.686 1.00 54.11 ATOM 49 CB HIS 4 6.347 -7.486 -22.344 1.00 51.22 ATOM 50 HB1 HIS 4 6.835 -8.195 -22.999 1.00 38.14 ATOM 51 HB2 HIS 4 6.991 -7.284 -21.500 1.00 10.23 ATOM 52 CG HIS 4 6.172 -6.203 -23.099 1.00 73.32 ATOM 53 ND1 HIS 4 6.170 -4.964 -22.491 1.00 12.42 ATOM 54 HD1 HIS 4 6.276 -4.797 -21.527 1.00 22.24 ATOM 55 CD2 HIS 4 5.999 -5.964 -24.422 1.00 54.23 ATOM 56 HD2 HIS 4 5.952 -6.705 -25.207 1.00 32.45 ATOM 57 CE1 HIS 4 6.006 -4.027 -23.401 1.00 20.45 ATOM 58 HE1 HIS 4 5.961 -2.963 -23.212 1.00 21.00 ATOM 59 NE2 HIS 4 5.900 -4.604 -24.578 1.00 30.44 ATOM 60 HE2 HIS 4 5.650 -4.146 -25.407 1.00 38.14 ATOM 61 C HIS 4 5.336 -9.356 -21.011 1.00 50.42 ATOM 62 O HIS 4 5.777 -9.266 -19.864 1.00 12.01 ATOM 63 N HIS 5 5.092 -10.526 -21.599 1.00 50.42 ATOM 64 HN HIS 5 4.744 -10.532 -22.515 1.00 38.14 ATOM 65 CA HIS 5 5.326 -11.809 -20.919 1.00 72.21 ATOM 66 HA HIS 5 5.464 -11.609 -19.865 1.00 62.14 ATOM 67 CB HIS 5 4.112 -12.735 -21.091 1.00 32.04 ATOM 68 HB1 HIS 5 4.366 -13.721 -20.725 1.00 38.14 ATOM 69 HB2 HIS 5 3.872 -12.805 -22.143 1.00 10.02 ATOM 70 CG HIS 5 2.873 -12.277 -20.371 1.00 61.20 ATOM 71 ND1 HIS 5 2.428 -12.849 -19.198 1.00 42.51 ATOM 72 HD1 HIS 5 2.858 -13.594 -18.722 1.00 33.31 ATOM 73 CD2 HIS 5 1.970 -11.314 -20.678 1.00 35.43 ATOM 74 HD2 HIS 5 2.001 -10.658 -21.538 1.00 73.35 ATOM 75 CE1 HIS 5 1.311 -12.262 -18.817 1.00 23.04 ATOM 76 HE1 HIS 5 0.740 -12.505 -17.935 1.00 24.33 ATOM 77 NE2 HIS 5 1.009 -11.327 -19.696 1.00 60.34 ATOM 78 HE2 HIS 5 0.129 -10.902 -19.768 1.00 38.14 ATOM 79 C HIS 5 6.585 -12.522 -21.451 1.00 35.31 ATOM 80 O HIS 5 6.920 -12.423 -22.632 1.00 45.41 ATOM 81 N HIS 6 7.280 -13.227 -20.558 1.00 2.10 ATOM 82 HN HIS 6 7.034 -13.155 -19.611 1.00 38.14 ATOM 83 CA HIS 6 8.411 -14.091 -20.932 1.00 10.03 ATOM 84 HA HIS 6 8.353 -14.279 -21.996 1.00 32.14 ATOM 85 CB HIS 6 9.750 -13.407 -20.618 1.00 23.41 ATOM 86 HB1 HIS 6 10.553 -14.114 -20.780 1.00 38.14 ATOM 87 HB2 HIS 6 9.755 -13.106 -19.580 1.00 15.01 ATOM 88 CG HIS 6 10.036 -12.190 -21.448 1.00 43.33 ATOM 89 ND1 HIS 6 10.320 -10.959 -20.903 1.00 30.52 ATOM 90 HD1 HIS 6 10.335 -10.746 -19.944 1.00 50.01 ATOM 91 CD2 HIS 6 10.123 -12.030 -22.791 1.00 65.44 ATOM 92 HD2 HIS 6 9.955 -12.792 -23.541 1.00 73.12 ATOM 93 CE1 HIS 6 10.568 -10.097 -21.868 1.00 61.52 ATOM 94 HE1 HIS 6 10.823 -9.056 -21.735 1.00 45.02 ATOM 95 NE2 HIS 6 10.457 -10.719 -23.022 1.00 13.14 ATOM 96 HE2 HIS 6 10.753 -10.353 -23.884 1.00 38.14 ATOM 97 C HIS 6 8.341 -15.437 -20.191 1.00 72.34 ATOM 98 O HIS 6 8.156 -16.493 -20.805 1.00 33.43 ATOM 99 N HIS 7 8.489 -15.384 -18.865 1.00 33.31 ATOM 100 HN HIS 7 8.642 -14.512 -18.446 1.00 38.14 ATOM 101 CA HIS 7 8.462 -16.586 -18.017 1.00 15.40 ATOM 102 HA HIS 7 9.299 -17.206 -18.304 1.00 73.44 ATOM 103 CB HIS 7 8.624 -16.196 -16.539 1.00 63.51 ATOM 104 HB1 HIS 7 9.538 -15.629 -16.423 1.00 38.14 ATOM 105 HB2 HIS 7 8.691 -17.094 -15.942 1.00 32.24 ATOM 106 CG HIS 7 7.497 -15.369 -15.998 1.00 63.31 ATOM 107 ND1 HIS 7 6.439 -15.906 -15.296 1.00 31.15 ATOM 108 HD1 HIS 7 6.324 -16.852 -15.066 1.00 2.35 ATOM 109 CD2 HIS 7 7.259 -14.038 -16.064 1.00 11.23 ATOM 110 HD2 HIS 7 7.885 -13.299 -16.544 1.00 71.30 ATOM 111 CE1 HIS 7 5.602 -14.948 -14.960 1.00 51.00 ATOM 112 HE1 HIS 7 4.683 -15.077 -14.407 1.00 62.13 ATOM 113 NE2 HIS 7 6.075 -13.806 -15.412 1.00 51.45 ATOM 114 HE2 HIS 7 5.591 -12.953 -15.401 1.00 38.14 ATOM 115 C HIS 7 7.167 -17.396 -18.199 1.00 22.30 ATOM 116 O HIS 7 6.069 -16.837 -18.211 1.00 51.21 ATOM 117 N HIS 8 7.307 -18.711 -18.338 1.00 43.42 ATOM 118 HN HIS 8 8.214 -19.089 -18.375 1.00 38.14 ATOM 119 CA HIS 8 6.151 -19.607 -18.470 1.00 32.14 ATOM 120 HA HIS 8 5.523 -19.208 -19.256 1.00 4.45 ATOM 121 CB HIS 8 6.605 -21.018 -18.878 1.00 51.34 ATOM 122 HB1 HIS 8 7.021 -20.978 -19.876 1.00 38.14 ATOM 123 HB2 HIS 8 5.747 -21.676 -18.882 1.00 13.42 ATOM 124 CG HIS 8 7.640 -21.616 -17.968 1.00 23.44 ATOM 125 ND1 HIS 8 7.335 -22.209 -16.761 1.00 54.24 ATOM 126 HD1 HIS 8 6.439 -22.288 -16.369 1.00 62.42 ATOM 127 CD2 HIS 8 8.986 -21.719 -18.101 1.00 41.44 ATOM 128 HD2 HIS 8 9.578 -21.362 -18.931 1.00 3.31 ATOM 129 CE1 HIS 8 8.442 -22.647 -16.194 1.00 34.33 ATOM 130 HE1 HIS 8 8.506 -23.155 -15.243 1.00 15.41 ATOM 131 NE2 HIS 8 9.454 -22.364 -16.985 1.00 65.41 ATOM 132 HE2 HIS 8 10.400 -22.458 -16.741 1.00 38.14 ATOM 133 C HIS 8 5.322 -19.669 -17.172 1.00 32.43 ATOM 134 O HIS 8 5.857 -19.911 -16.087 1.00 44.24 ATOM 135 N SER 9 4.015 -19.456 -17.299 1.00 75.23 ATOM 136 HN SER 9 3.653 -19.275 -18.191 1.00 38.14 ATOM 137 CA SER 9 3.095 -19.496 -16.151 1.00 52.43 ATOM 138 HA SER 9 3.593 -19.037 -15.308 1.00 20.41 ATOM 139 CB SER 9 1.810 -18.708 -16.461 1.00 33.43 ATOM 140 HB1 SER 9 1.166 -18.714 -15.593 1.00 38.14 ATOM 141 HB2 SER 9 1.295 -19.172 -17.289 1.00 53.23 ATOM 142 OG SER 9 2.095 -17.359 -16.806 1.00 22.22 ATOM 143 HG SER 9 2.449 -17.326 -17.705 1.00 54.01 ATOM 144 C SER 9 2.734 -20.943 -15.784 1.00 75.12 ATOM 145 O SER 9 2.792 -21.833 -16.632 1.00 50.14 ATOM 146 N HIS 10 2.345 -21.159 -14.520 1.00 22.01 ATOM 147 HN HIS 10 2.291 -20.391 -13.908 1.00 38.14 ATOM 148 CA HIS 10 2.007 -22.498 -13.996 1.00 74.43 ATOM 149 HA HIS 10 1.558 -22.349 -13.023 1.00 61.53 ATOM 150 CB HIS 10 0.989 -23.220 -14.893 1.00 72.32 ATOM 151 HB1 HIS 10 0.766 -24.188 -14.467 1.00 38.14 ATOM 152 HB2 HIS 10 1.417 -23.356 -15.876 1.00 10.55 ATOM 153 CG HIS 10 -0.303 -22.478 -15.051 1.00 61.23 ATOM 154 ND1 HIS 10 -0.611 -21.728 -16.165 1.00 73.34 ATOM 155 HD1 HIS 10 -0.036 -21.608 -16.951 1.00 72.53 ATOM 156 CD2 HIS 10 -1.374 -22.376 -14.230 1.00 35.34 ATOM 157 HD2 HIS 10 -1.482 -22.836 -13.257 1.00 74.11 ATOM 158 CE1 HIS 10 -1.808 -21.200 -16.022 1.00 53.22 ATOM 159 HE1 HIS 10 -2.309 -20.566 -16.738 1.00 0.35 ATOM 160 NE2 HIS 10 -2.293 -21.577 -14.858 1.00 13.04 ATOM 161 HE2 HIS 10 -3.074 -21.167 -14.423 1.00 38.14 ATOM 162 C HIS 10 3.260 -23.373 -13.812 1.00 5.52 ATOM 163 O HIS 10 3.909 -23.767 -14.780 1.00 60.14 ATOM 164 N MET 11 3.589 -23.674 -12.555 1.00 53.43 ATOM 165 HN MET 11 3.026 -23.342 -11.826 1.00 38.14 ATOM 166 CA MET 11 4.766 -24.491 -12.228 1.00 40.01 ATOM 167 HA MET 11 5.294 -24.698 -13.150 1.00 52.42 ATOM 168 CB MET 11 5.698 -23.710 -11.290 1.00 64.41 ATOM 169 HB1 MET 11 6.522 -24.349 -11.005 1.00 38.14 ATOM 170 HB2 MET 11 5.147 -23.434 -10.401 1.00 61.52 ATOM 171 CG MET 11 6.270 -22.440 -11.908 1.00 23.11 ATOM 172 HG1 MET 11 6.839 -21.914 -11.155 1.00 38.14 ATOM 173 HG2 MET 11 5.452 -21.815 -12.238 1.00 74.14 ATOM 174 SD MET 11 7.346 -22.773 -13.318 1.00 73.13 ATOM 175 CE MET 11 8.661 -23.709 -12.538 1.00 23.44 ATOM 176 HE1 MET 11 9.395 -23.984 -13.280 1.00 0.34 ATOM 177 HE2 MET 11 8.250 -24.602 -12.090 1.00 55.21 ATOM 178 HE3 MET 11 9.130 -23.107 -11.773 1.00 11.43 ATOM 179 C MET 11 4.361 -25.833 -11.582 1.00 63.12 ATOM 180 O MET 11 3.316 -25.932 -10.931 1.00 51.12 ATOM 181 N PRO 12 5.191 -26.888 -11.743 1.00 54.52 ATOM 182 CA PRO 12 4.889 -28.240 -11.226 1.00 24.41 ATOM 183 HA PRO 12 3.898 -28.550 -11.523 1.00 35.31 ATOM 184 CB PRO 12 5.933 -29.141 -11.925 1.00 2.45 ATOM 185 HB1 PRO 12 5.434 -29.991 -12.370 1.00 38.14 ATOM 186 HB2 PRO 12 6.659 -29.489 -11.201 1.00 64.32 ATOM 187 CG PRO 12 6.579 -28.282 -12.968 1.00 30.00 ATOM 188 HG1 PRO 12 6.053 -28.385 -13.907 1.00 38.14 ATOM 189 HG2 PRO 12 7.616 -28.562 -13.087 1.00 21.31 ATOM 190 CD PRO 12 6.473 -26.870 -12.464 1.00 73.32 ATOM 191 HD1 PRO 12 6.445 -26.172 -13.289 1.00 38.14 ATOM 192 HD2 PRO 12 7.293 -26.639 -11.797 1.00 0.10 ATOM 193 C PRO 12 5.009 -28.380 -9.692 1.00 23.10 ATOM 194 O PRO 12 5.048 -29.496 -9.172 1.00 12.31 ATOM 195 N ASP 13 5.022 -27.262 -8.963 1.00 44.14 ATOM 196 HN ASP 13 4.926 -26.396 -9.414 1.00 38.14 ATOM 197 CA ASP 13 5.184 -27.292 -7.499 1.00 32.24 ATOM 198 HA ASP 13 5.976 -27.997 -7.275 1.00 33.41 ATOM 199 CB ASP 13 5.615 -25.909 -6.988 1.00 55.44 ATOM 200 HB1 ASP 13 6.556 -25.645 -7.451 1.00 38.14 ATOM 201 HB2 ASP 13 5.757 -25.960 -5.917 1.00 70.30 ATOM 202 CG ASP 13 4.609 -24.808 -7.286 1.00 2.42 ATOM 203 OD1 ASP 13 3.830 -24.439 -6.383 1.00 52.52 ATOM 204 OD2 ASP 13 4.605 -24.293 -8.419 1.00 64.32 ATOM 205 C ASP 13 3.902 -27.760 -6.771 1.00 43.03 ATOM 206 O ASP 13 3.797 -27.650 -5.548 1.00 34.05 ATOM 207 N HIS 14 2.938 -28.297 -7.522 1.00 34.54 ATOM 208 HN HIS 14 3.086 -28.391 -8.482 1.00 38.14 ATOM 209 CA HIS 14 1.658 -28.741 -6.948 1.00 54.32 ATOM 210 HA HIS 14 1.686 -28.571 -5.881 1.00 41.22 ATOM 211 CB HIS 14 0.509 -27.925 -7.554 1.00 64.33 ATOM 212 HB1 HIS 14 -0.377 -28.052 -6.946 1.00 38.14 ATOM 213 HB2 HIS 14 0.306 -28.283 -8.553 1.00 11.34 ATOM 214 CG HIS 14 0.801 -26.464 -7.644 1.00 13.03 ATOM 215 ND1 HIS 14 1.262 -25.867 -8.796 1.00 52.32 ATOM 216 HD1 HIS 14 1.442 -26.322 -9.646 1.00 10.53 ATOM 217 CD2 HIS 14 0.712 -25.477 -6.724 1.00 23.22 ATOM 218 HD2 HIS 14 0.383 -25.583 -5.699 1.00 74.23 ATOM 219 CE1 HIS 14 1.443 -24.585 -8.581 1.00 41.25 ATOM 220 HE1 HIS 14 1.800 -23.870 -9.306 1.00 14.15 ATOM 221 NE2 HIS 14 1.119 -24.317 -7.332 1.00 35.43 ATOM 222 HE2 HIS 14 1.405 -23.512 -6.852 1.00 38.14 ATOM 223 C HIS 14 1.400 -30.236 -7.206 1.00 15.13 ATOM 224 O HIS 14 0.493 -30.823 -6.616 1.00 51.14 ATOM 225 N GLY 15 2.199 -30.845 -8.083 1.00 12.25 ATOM 226 HN GLY 15 2.983 -30.371 -8.426 1.00 38.14 ATOM 227 CA GLY 15 1.928 -32.214 -8.517 1.00 41.32 ATOM 228 HA1 GLY 15 1.573 -32.788 -7.673 1.00 38.14 ATOM 229 HA2 GLY 15 2.848 -32.652 -8.875 1.00 23.04 ATOM 230 C GLY 15 0.884 -32.276 -9.634 1.00 14.22 ATOM 231 O GLY 15 0.665 -31.280 -10.331 1.00 55.23 ATOM 232 N ASP 16 0.252 -33.443 -9.813 1.00 51.45 ATOM 233 HN ASP 16 0.501 -34.204 -9.248 1.00 38.14 ATOM 234 CA ASP 16 -0.805 -33.630 -10.825 1.00 11.21 ATOM 235 HA ASP 16 -1.213 -34.620 -10.671 1.00 71.34 ATOM 236 CB ASP 16 -1.936 -32.608 -10.623 1.00 11.44 ATOM 237 HB1 ASP 16 -2.531 -32.555 -11.524 1.00 38.14 ATOM 238 HB2 ASP 16 -1.506 -31.636 -10.428 1.00 53.50 ATOM 239 CG ASP 16 -2.847 -32.976 -9.467 1.00 2.05 ATOM 240 OD1 ASP 16 -2.559 -32.587 -8.318 1.00 5.33 ATOM 241 OD2 ASP 16 -3.868 -33.654 -9.708 1.00 60.31 ATOM 242 C ASP 16 -0.270 -33.565 -12.269 1.00 31.41 ATOM 243 O ASP 16 -1.024 -33.294 -13.208 1.00 1.44 ATOM 244 N TRP 17 1.021 -33.846 -12.449 1.00 22.41 ATOM 245 HN TRP 17 1.577 -34.035 -11.666 1.00 38.14 ATOM 246 CA TRP 17 1.631 -33.880 -13.789 1.00 21.41 ATOM 247 HA TRP 17 0.976 -33.341 -14.462 1.00 12.42 ATOM 248 CB TRP 17 3.000 -33.182 -13.777 1.00 74.10 ATOM 249 HB1 TRP 17 3.545 -33.454 -14.672 1.00 38.14 ATOM 250 HB2 TRP 17 3.558 -33.509 -12.912 1.00 73.40 ATOM 251 CG TRP 17 2.905 -31.683 -13.729 1.00 75.45 ATOM 252 CD1 TRP 17 2.516 -30.916 -12.670 1.00 32.13 ATOM 253 HD1 TRP 17 2.219 -31.311 -11.711 1.00 71.22 ATOM 254 CD2 TRP 17 3.208 -30.770 -14.793 1.00 33.10 ATOM 255 NE1 TRP 17 2.548 -29.588 -13.013 1.00 22.43 ATOM 256 HE1 TRP 17 2.307 -28.841 -12.423 1.00 32.42 ATOM 257 CE2 TRP 17 2.974 -29.471 -14.309 1.00 0.23 ATOM 258 CE3 TRP 17 3.655 -30.927 -16.110 1.00 73.12 ATOM 259 HE3 TRP 17 3.847 -31.907 -16.522 1.00 11.13 ATOM 260 CZ2 TRP 17 3.169 -28.336 -15.090 1.00 70.33 ATOM 261 HZ2 TRP 17 2.988 -27.342 -14.707 1.00 21.12 ATOM 262 CZ3 TRP 17 3.849 -29.799 -16.885 1.00 65.13 ATOM 263 HZ3 TRP 17 4.195 -29.899 -17.904 1.00 24.31 ATOM 264 CH2 TRP 17 3.608 -28.517 -16.373 1.00 15.44 ATOM 265 HH2 TRP 17 3.773 -27.665 -17.015 1.00 24.13 ATOM 266 C TRP 17 1.782 -35.316 -14.315 1.00 4.11 ATOM 267 O TRP 17 1.969 -35.531 -15.516 1.00 74.24 ATOM 268 N THR 18 1.708 -36.299 -13.421 1.00 5.02 ATOM 269 HN THR 18 1.547 -36.075 -12.480 1.00 38.14 ATOM 270 CA THR 18 1.851 -37.710 -13.808 1.00 2.31 ATOM 271 HA THR 18 2.494 -37.748 -14.680 1.00 44.00 ATOM 272 CB THR 18 2.516 -38.556 -12.689 1.00 14.13 ATOM 273 HB THR 18 2.619 -39.574 -13.041 1.00 32.45 ATOM 274 OG1 THR 18 1.702 -38.558 -11.506 1.00 42.42 ATOM 275 HG1 THR 18 1.503 -39.471 -11.259 1.00 1.33 ATOM 276 CG2 THR 18 3.903 -38.020 -12.346 1.00 44.24 ATOM 277 HG21 THR 18 3.822 -36.992 -12.021 1.00 65.22 ATOM 278 HG22 THR 18 4.539 -38.071 -13.219 1.00 11.50 ATOM 279 HG23 THR 18 4.334 -38.614 -11.553 1.00 2.34 ATOM 280 C THR 18 0.498 -38.337 -14.174 1.00 54.53 ATOM 281 O THR 18 -0.431 -38.368 -13.363 1.00 44.31 ATOM 282 N TYR 19 0.392 -38.825 -15.409 1.00 45.12 ATOM 283 HN TYR 19 1.147 -38.718 -16.025 1.00 38.14 ATOM 284 CA TYR 19 -0.818 -39.511 -15.884 1.00 32.45 ATOM 285 HA TYR 19 -1.655 -38.837 -15.762 1.00 23.34 ATOM 286 CB TYR 19 -0.654 -39.854 -17.374 1.00 44.34 ATOM 287 HB1 TYR 19 0.036 -40.682 -17.469 1.00 38.14 ATOM 288 HB2 TYR 19 -0.240 -38.997 -17.885 1.00 43.25 ATOM 289 CG TYR 19 -1.942 -40.233 -18.088 1.00 32.33 ATOM 290 CD1 TYR 19 -2.882 -39.263 -18.420 1.00 62.44 ATOM 291 HD1 TYR 19 -2.695 -38.234 -18.145 1.00 3.33 ATOM 292 CD2 TYR 19 -2.206 -41.550 -18.453 1.00 51.33 ATOM 293 HD2 TYR 19 -1.489 -42.320 -18.202 1.00 15.22 ATOM 294 CE1 TYR 19 -4.046 -39.591 -19.090 1.00 33.41 ATOM 295 HE1 TYR 19 -4.761 -38.820 -19.338 1.00 53.31 ATOM 296 CE2 TYR 19 -3.371 -41.887 -19.121 1.00 50.55 ATOM 297 HE2 TYR 19 -3.557 -42.916 -19.395 1.00 52.54 ATOM 298 CZ TYR 19 -4.285 -40.903 -19.439 1.00 55.40 ATOM 299 OH TYR 19 -5.443 -41.232 -20.113 1.00 62.43 ATOM 300 HH TYR 19 -5.570 -40.614 -20.847 1.00 74.23 ATOM 301 C TYR 19 -1.071 -40.782 -15.054 1.00 13.33 ATOM 302 O TYR 19 -2.207 -41.100 -14.691 1.00 3.33 ATOM 303 N GLU 20 0.006 -41.507 -14.770 1.00 50.41 ATOM 304 HN GLU 20 0.858 -41.272 -15.194 1.00 38.14 ATOM 305 CA GLU 20 -0.036 -42.654 -13.859 1.00 4.11 ATOM 306 HA GLU 20 -1.046 -43.043 -13.863 1.00 51.02 ATOM 307 CB GLU 20 0.922 -43.746 -14.359 1.00 13.53 ATOM 308 HB1 GLU 20 0.937 -44.556 -13.643 1.00 38.14 ATOM 309 HB2 GLU 20 1.916 -43.330 -14.443 1.00 61.55 ATOM 310 CG GLU 20 0.521 -44.317 -15.721 1.00 33.23 ATOM 311 HG1 GLU 20 0.372 -43.495 -16.409 1.00 38.14 ATOM 312 HG2 GLU 20 -0.409 -44.856 -15.610 1.00 53.03 ATOM 313 CD GLU 20 1.557 -45.263 -16.308 1.00 53.32 ATOM 314 OE1 GLU 20 2.256 -44.870 -17.270 1.00 53.10 ATOM 315 OE2 GLU 20 1.675 -46.406 -15.815 1.00 52.45 ATOM 316 C GLU 20 0.316 -42.210 -12.426 1.00 2.14 ATOM 317 O GLU 20 1.388 -41.656 -12.177 1.00 23.15 ATOM 318 N GLU 21 -0.603 -42.456 -11.495 1.00 3.23 ATOM 319 HN GLU 21 -1.380 -42.998 -11.740 1.00 38.14 ATOM 320 CA GLU 21 -0.509 -41.934 -10.119 1.00 35.44 ATOM 321 HA GLU 21 -0.378 -40.864 -10.193 1.00 31.43 ATOM 322 CB GLU 21 -1.824 -42.206 -9.362 1.00 1.51 ATOM 323 HB1 GLU 21 -2.648 -41.842 -9.960 1.00 38.14 ATOM 324 HB2 GLU 21 -1.806 -41.655 -8.431 1.00 22.13 ATOM 325 CG GLU 21 -2.087 -43.683 -9.036 1.00 1.04 ATOM 326 HG1 GLU 21 -3.053 -43.764 -8.556 1.00 38.14 ATOM 327 HG2 GLU 21 -1.323 -44.025 -8.352 1.00 24.12 ATOM 328 CD GLU 21 -2.077 -44.583 -10.264 1.00 72.13 ATOM 329 OE1 GLU 21 -2.892 -44.351 -11.181 1.00 53.12 ATOM 330 OE2 GLU 21 -1.247 -45.518 -10.324 1.00 62.33 ATOM 331 C GLU 21 0.676 -42.511 -9.320 1.00 62.20 ATOM 332 O GLU 21 1.236 -41.831 -8.456 1.00 43.31 ATOM 333 N GLN 22 1.047 -43.760 -9.592 1.00 65.14 ATOM 334 HN GLN 22 0.590 -44.249 -10.308 1.00 38.14 ATOM 335 CA GLN 22 2.112 -44.428 -8.835 1.00 64.10 ATOM 336 HA GLN 22 1.867 -44.341 -7.785 1.00 13.31 ATOM 337 CB GLN 22 2.170 -45.915 -9.205 1.00 62.21 ATOM 338 HB1 GLN 22 2.716 -46.022 -10.132 1.00 38.14 ATOM 339 HB2 GLN 22 1.160 -46.273 -9.353 1.00 61.00 ATOM 340 CG GLN 22 2.836 -46.796 -8.150 1.00 33.04 ATOM 341 HG1 GLN 22 3.827 -46.415 -7.951 1.00 38.14 ATOM 342 HG2 GLN 22 2.912 -47.801 -8.539 1.00 11.33 ATOM 343 CD GLN 22 2.056 -46.843 -6.840 1.00 14.45 ATOM 344 OE1 GLN 22 0.838 -46.692 -6.817 1.00 23.52 ATOM 345 NE2 GLN 22 2.745 -47.077 -5.739 1.00 54.43 ATOM 346 HE21 GLN 22 3.712 -47.212 -5.815 1.00 24.25 ATOM 347 HE22 GLN 22 2.256 -47.112 -4.894 1.00 73.23 ATOM 348 C GLN 22 3.476 -43.753 -9.076 1.00 65.53 ATOM 349 O GLN 22 4.219 -44.117 -9.991 1.00 32.02 ATOM 350 N PHE 23 3.782 -42.753 -8.253 1.00 31.23 ATOM 351 HN PHE 23 3.153 -42.528 -7.536 1.00 38.14 ATOM 352 CA PHE 23 5.004 -41.956 -8.398 1.00 31.33 ATOM 353 HA PHE 23 5.057 -41.627 -9.427 1.00 0.43 ATOM 354 CB PHE 23 4.908 -40.717 -7.492 1.00 33.21 ATOM 355 HB1 PHE 23 5.114 -41.014 -6.473 1.00 38.14 ATOM 356 HB2 PHE 23 3.901 -40.326 -7.543 1.00 23.51 ATOM 357 CG PHE 23 5.852 -39.590 -7.850 1.00 32.34 ATOM 358 CD1 PHE 23 5.935 -39.123 -9.156 1.00 53.32 ATOM 359 HD1 PHE 23 5.336 -39.589 -9.926 1.00 1.10 ATOM 360 CD2 PHE 23 6.632 -38.976 -6.876 1.00 12.13 ATOM 361 HD2 PHE 23 6.576 -39.325 -5.855 1.00 63.11 ATOM 362 CE1 PHE 23 6.777 -38.074 -9.481 1.00 30.22 ATOM 363 HE1 PHE 23 6.832 -37.720 -10.502 1.00 1.04 ATOM 364 CE2 PHE 23 7.476 -37.931 -7.200 1.00 34.44 ATOM 365 HE2 PHE 23 8.082 -37.468 -6.432 1.00 74.23 ATOM 366 CZ PHE 23 7.549 -37.479 -8.503 1.00 24.05 ATOM 367 HZ PHE 23 8.206 -36.659 -8.756 1.00 21.52 ATOM 368 C PHE 23 6.267 -42.785 -8.079 1.00 24.43 ATOM 369 O PHE 23 6.680 -42.906 -6.922 1.00 2.34 ATOM 370 N LYS 24 6.862 -43.354 -9.129 1.00 13.42 ATOM 371 HN LYS 24 6.475 -43.204 -10.017 1.00 38.14 ATOM 372 CA LYS 24 8.049 -44.223 -9.024 1.00 34.33 ATOM 373 HA LYS 24 7.743 -45.146 -8.552 1.00 2.35 ATOM 374 CB LYS 24 8.554 -44.539 -10.441 1.00 53.34 ATOM 375 HB1 LYS 24 8.874 -43.617 -10.908 1.00 38.14 ATOM 376 HB2 LYS 24 7.737 -44.952 -11.015 1.00 70.33 ATOM 377 CG LYS 24 9.715 -45.527 -10.492 1.00 75.20 ATOM 378 HG1 LYS 24 10.473 -45.211 -9.789 1.00 38.14 ATOM 379 HG2 LYS 24 10.130 -45.526 -11.490 1.00 1.34 ATOM 380 CD LYS 24 9.274 -46.946 -10.142 1.00 60.32 ATOM 381 HD1 LYS 24 8.524 -47.266 -10.853 1.00 38.14 ATOM 382 HD2 LYS 24 8.852 -46.947 -9.147 1.00 71.01 ATOM 383 CE LYS 24 10.444 -47.923 -10.182 1.00 73.10 ATOM 384 HE1 LYS 24 10.066 -48.924 -10.021 1.00 38.14 ATOM 385 HE2 LYS 24 11.133 -47.671 -9.389 1.00 35.24 ATOM 386 NZ LYS 24 11.170 -47.883 -11.484 1.00 25.15 ATOM 387 HZ1 LYS 24 10.510 -48.053 -12.271 1.00 32.22 ATOM 388 HZ2 LYS 24 11.910 -48.615 -11.507 1.00 41.44 ATOM 389 HZ3 LYS 24 11.619 -46.952 -11.616 1.00 43.11 ATOM 390 C LYS 24 9.194 -43.596 -8.197 1.00 51.15 ATOM 391 O LYS 24 9.992 -44.310 -7.579 1.00 23.34 ATOM 392 N GLN 25 9.259 -42.266 -8.180 1.00 12.01 ATOM 393 HN GLN 25 8.546 -41.754 -8.614 1.00 38.14 ATOM 394 CA GLN 25 10.365 -41.542 -7.537 1.00 33.11 ATOM 395 HA GLN 25 11.254 -41.724 -8.123 1.00 43.34 ATOM 396 CB GLN 25 10.079 -40.037 -7.544 1.00 21.33 ATOM 397 HB1 GLN 25 9.185 -39.852 -6.964 1.00 38.14 ATOM 398 HB2 GLN 25 9.902 -39.723 -8.563 1.00 3.12 ATOM 399 CG GLN 25 11.205 -39.181 -6.971 1.00 52.11 ATOM 400 HG1 GLN 25 11.391 -39.488 -5.951 1.00 38.14 ATOM 401 HG2 GLN 25 10.893 -38.146 -6.980 1.00 23.43 ATOM 402 CD GLN 25 12.500 -39.301 -7.758 1.00 73.15 ATOM 403 OE1 GLN 25 12.733 -38.564 -8.709 1.00 74.25 ATOM 404 NE2 GLN 25 13.353 -40.231 -7.370 1.00 11.35 ATOM 405 HE21 GLN 25 13.113 -40.791 -6.604 1.00 73.05 ATOM 406 HE22 GLN 25 14.195 -40.317 -7.866 1.00 52.25 ATOM 407 C GLN 25 10.627 -42.017 -6.095 1.00 33.43 ATOM 408 O GLN 25 11.782 -42.145 -5.688 1.00 24.34 ATOM 409 N LEU 26 9.559 -42.287 -5.333 1.00 71.14 ATOM 410 HN LEU 26 8.662 -42.177 -5.715 1.00 38.14 ATOM 411 CA LEU 26 9.695 -42.756 -3.940 1.00 43.11 ATOM 412 HA LEU 26 10.179 -41.970 -3.377 1.00 60.24 ATOM 413 CB LEU 26 8.318 -43.034 -3.316 1.00 52.11 ATOM 414 HB1 LEU 26 8.466 -43.598 -2.405 1.00 38.14 ATOM 415 HB2 LEU 26 7.755 -43.646 -4.007 1.00 15.52 ATOM 416 CG LEU 26 7.476 -41.794 -2.979 1.00 2.01 ATOM 417 HG LEU 26 7.239 -41.269 -3.893 1.00 43.35 ATOM 418 CD1 LEU 26 6.161 -42.205 -2.320 1.00 0.12 ATOM 419 HD11 LEU 26 6.365 -42.757 -1.413 1.00 50.23 ATOM 420 HD12 LEU 26 5.596 -42.827 -3.000 1.00 24.12 ATOM 421 HD13 LEU 26 5.586 -41.322 -2.082 1.00 73.13 ATOM 422 CD2 LEU 26 8.256 -40.839 -2.076 1.00 12.51 ATOM 423 HD21 LEU 26 8.523 -41.344 -1.157 1.00 71.32 ATOM 424 HD22 LEU 26 7.644 -39.978 -1.848 1.00 21.25 ATOM 425 HD23 LEU 26 9.155 -40.517 -2.581 1.00 70.03 ATOM 426 C LEU 26 10.555 -44.024 -3.847 1.00 51.14 ATOM 427 O LEU 26 11.406 -44.150 -2.964 1.00 35.15 ATOM 428 N TYR 27 10.325 -44.954 -4.766 1.00 72.40 ATOM 429 HN TYR 27 9.650 -44.782 -5.456 1.00 38.14 ATOM 430 CA TYR 27 11.058 -46.222 -4.789 1.00 13.33 ATOM 431 HA TYR 27 10.975 -46.671 -3.810 1.00 14.41 ATOM 432 CB TYR 27 10.443 -47.172 -5.830 1.00 33.11 ATOM 433 HB1 TYR 27 11.009 -48.094 -5.843 1.00 38.14 ATOM 434 HB2 TYR 27 10.498 -46.711 -6.805 1.00 33.45 ATOM 435 CG TYR 27 8.989 -47.519 -5.559 1.00 1.54 ATOM 436 CD1 TYR 27 8.641 -48.715 -4.938 1.00 74.45 ATOM 437 HD1 TYR 27 9.421 -49.406 -4.653 1.00 14.23 ATOM 438 CD2 TYR 27 7.967 -46.646 -5.919 1.00 75.23 ATOM 439 HD2 TYR 27 8.218 -45.714 -6.405 1.00 23.15 ATOM 440 CE1 TYR 27 7.320 -49.030 -4.684 1.00 22.30 ATOM 441 HE1 TYR 27 7.071 -49.963 -4.201 1.00 22.42 ATOM 442 CE2 TYR 27 6.644 -46.955 -5.669 1.00 60.10 ATOM 443 HE2 TYR 27 5.865 -46.263 -5.955 1.00 51.31 ATOM 444 CZ TYR 27 6.326 -48.147 -5.051 1.00 54.42 ATOM 445 OH TYR 27 5.007 -48.455 -4.797 1.00 51.41 ATOM 446 HH TYR 27 4.933 -48.827 -3.910 1.00 51.25 ATOM 447 C TYR 27 12.541 -45.997 -5.107 1.00 11.25 ATOM 448 O TYR 27 13.424 -46.537 -4.437 1.00 71.22 ATOM 449 N GLU 28 12.805 -45.173 -6.118 1.00 13.15 ATOM 450 HN GLU 28 12.062 -44.694 -6.549 1.00 38.14 ATOM 451 CA GLU 28 14.172 -44.970 -6.614 1.00 73.23 ATOM 452 HA GLU 28 14.767 -45.805 -6.271 1.00 65.25 ATOM 453 CB GLU 28 14.165 -44.988 -8.153 1.00 44.21 ATOM 454 HB1 GLU 28 15.180 -44.900 -8.512 1.00 38.14 ATOM 455 HB2 GLU 28 13.588 -44.147 -8.513 1.00 44.53 ATOM 456 CG GLU 28 13.561 -46.270 -8.727 1.00 64.13 ATOM 457 HG1 GLU 28 12.514 -46.307 -8.460 1.00 38.14 ATOM 458 HG2 GLU 28 14.066 -47.118 -8.285 1.00 43.20 ATOM 459 CD GLU 28 13.676 -46.374 -10.242 1.00 2.02 ATOM 460 OE1 GLU 28 12.902 -45.701 -10.952 1.00 71.22 ATOM 461 OE2 GLU 28 14.514 -47.162 -10.728 1.00 21.45 ATOM 462 C GLU 28 14.817 -43.675 -6.069 1.00 73.01 ATOM 463 O GLU 28 15.700 -43.096 -6.705 1.00 55.11 ATOM 464 N LEU 29 14.389 -43.230 -4.879 1.00 55.34 ATOM 465 HN LEU 29 13.598 -43.642 -4.472 1.00 38.14 ATOM 466 CA LEU 29 15.068 -42.119 -4.182 1.00 4.34 ATOM 467 HA LEU 29 15.066 -41.260 -4.840 1.00 43.41 ATOM 468 CB LEU 29 14.321 -41.763 -2.882 1.00 74.32 ATOM 469 HB1 LEU 29 14.951 -41.107 -2.296 1.00 38.14 ATOM 470 HB2 LEU 29 14.170 -42.677 -2.321 1.00 61.31 ATOM 471 CG LEU 29 12.955 -41.077 -3.067 1.00 32.41 ATOM 472 HG LEU 29 12.377 -41.630 -3.793 1.00 25.24 ATOM 473 CD1 LEU 29 12.170 -41.059 -1.760 1.00 13.24 ATOM 474 HD11 LEU 29 11.222 -40.562 -1.916 1.00 14.31 ATOM 475 HD12 LEU 29 12.734 -40.528 -1.007 1.00 13.13 ATOM 476 HD13 LEU 29 11.994 -42.072 -1.431 1.00 54.42 ATOM 477 CD2 LEU 29 13.132 -39.655 -3.590 1.00 70.42 ATOM 478 HD21 LEU 29 13.669 -39.677 -4.528 1.00 55.14 ATOM 479 HD22 LEU 29 13.688 -39.072 -2.868 1.00 60.11 ATOM 480 HD23 LEU 29 12.162 -39.205 -3.742 1.00 3.45 ATOM 481 C LEU 29 16.524 -42.501 -3.863 1.00 24.23 ATOM 482 O LEU 29 17.463 -41.798 -4.235 1.00 32.42 ATOM 483 N ASP 30 16.690 -43.630 -3.174 1.00 70.44 ATOM 484 HN ASP 30 15.908 -44.047 -2.765 1.00 38.14 ATOM 485 CA ASP 30 18.008 -44.252 -2.982 1.00 33.04 ATOM 486 HA ASP 30 18.746 -43.635 -3.480 1.00 21.44 ATOM 487 CB ASP 30 18.356 -44.341 -1.494 1.00 13.05 ATOM 488 HB1 ASP 30 19.261 -44.922 -1.373 1.00 38.14 ATOM 489 HB2 ASP 30 17.548 -44.835 -0.973 1.00 62.44 ATOM 490 CG ASP 30 18.571 -42.980 -0.861 1.00 20.14 ATOM 491 OD1 ASP 30 19.699 -42.453 -0.939 1.00 72.35 ATOM 492 OD2 ASP 30 17.616 -42.432 -0.276 1.00 4.11 ATOM 493 C ASP 30 18.043 -45.657 -3.610 1.00 25.12 ATOM 494 O ASP 30 19.099 -46.141 -4.016 1.00 30.33 ATOM 495 N GLY 31 16.876 -46.306 -3.682 1.00 22.35 ATOM 496 HN GLY 31 16.066 -45.866 -3.357 1.00 38.14 ATOM 497 CA GLY 31 16.790 -47.650 -4.253 1.00 4.31 ATOM 498 HA1 GLY 31 17.538 -47.749 -5.027 1.00 38.14 ATOM 499 HA2 GLY 31 15.814 -47.770 -4.701 1.00 44.23 ATOM 500 C GLY 31 16.995 -48.766 -3.227 1.00 71.01 ATOM 501 O GLY 31 17.180 -49.925 -3.602 1.00 21.33 ATOM 502 N ASP 32 16.950 -48.418 -1.936 1.00 22.13 ATOM 503 HN ASP 32 16.798 -47.478 -1.706 1.00 38.14 ATOM 504 CA ASP 32 17.151 -49.392 -0.848 1.00 31.12 ATOM 505 HA ASP 32 18.182 -49.713 -0.879 1.00 42.55 ATOM 506 CB ASP 32 16.878 -48.738 0.511 1.00 30.21 ATOM 507 HB1 ASP 32 17.211 -49.403 1.297 1.00 38.14 ATOM 508 HB2 ASP 32 15.815 -48.571 0.618 1.00 1.51 ATOM 509 CG ASP 32 17.590 -47.415 0.665 1.00 51.24 ATOM 510 OD1 ASP 32 18.779 -47.416 1.042 1.00 2.14 ATOM 511 OD2 ASP 32 16.961 -46.373 0.399 1.00 72.43 ATOM 512 C ASP 32 16.236 -50.621 -0.990 1.00 23.33 ATOM 513 O ASP 32 15.041 -50.484 -1.273 1.00 41.22 ATOM 514 N PRO 33 16.772 -51.836 -0.759 1.00 75.21 ATOM 515 CA PRO 33 15.977 -53.077 -0.813 1.00 13.43 ATOM 516 HA PRO 33 15.615 -53.266 -1.815 1.00 41.22 ATOM 517 CB PRO 33 16.981 -54.173 -0.411 1.00 73.20 ATOM 518 HB1 PRO 33 17.306 -54.707 -1.294 1.00 38.14 ATOM 519 HB2 PRO 33 16.511 -54.864 0.276 1.00 3.21 ATOM 520 CG PRO 33 18.119 -53.449 0.236 1.00 61.24 ATOM 521 HG1 PRO 33 19.038 -53.994 0.081 1.00 38.14 ATOM 522 HG2 PRO 33 17.927 -53.330 1.294 1.00 65.22 ATOM 523 CD PRO 33 18.186 -52.105 -0.435 1.00 55.41 ATOM 524 HD1 PRO 33 18.787 -52.156 -1.334 1.00 38.14 ATOM 525 HD2 PRO 33 18.580 -51.360 0.243 1.00 60.14 ATOM 526 C PRO 33 14.784 -53.050 0.157 1.00 74.05 ATOM 527 O PRO 33 13.711 -53.570 -0.142 1.00 22.35 ATOM 528 N LYS 34 14.977 -52.423 1.314 1.00 50.14 ATOM 529 HN LYS 34 15.854 -52.026 1.498 1.00 38.14 ATOM 530 CA LYS 34 13.920 -52.323 2.327 1.00 35.50 ATOM 531 HA LYS 34 13.324 -53.223 2.263 1.00 31.12 ATOM 532 CB LYS 34 14.545 -52.250 3.726 1.00 35.01 ATOM 533 HB1 LYS 34 13.764 -52.083 4.454 1.00 38.14 ATOM 534 HB2 LYS 34 15.240 -51.422 3.758 1.00 75.22 ATOM 535 CG LYS 34 15.294 -53.523 4.109 1.00 53.34 ATOM 536 HG1 LYS 34 15.682 -53.415 5.113 1.00 38.14 ATOM 537 HG2 LYS 34 16.112 -53.672 3.418 1.00 21.20 ATOM 538 CD LYS 34 14.371 -54.737 4.060 1.00 50.24 ATOM 539 HD1 LYS 34 13.842 -54.737 3.116 1.00 38.14 ATOM 540 HD2 LYS 34 13.657 -54.666 4.867 1.00 44.33 ATOM 541 CE LYS 34 15.130 -56.049 4.194 1.00 14.44 ATOM 542 HE1 LYS 34 15.587 -56.092 5.172 1.00 38.14 ATOM 543 HE2 LYS 34 15.897 -56.091 3.434 1.00 43.14 ATOM 544 NZ LYS 34 14.225 -57.215 4.029 1.00 31.20 ATOM 545 HZ1 LYS 34 13.717 -57.146 3.121 1.00 51.44 ATOM 546 HZ2 LYS 34 13.531 -57.244 4.801 1.00 15.23 ATOM 547 HZ3 LYS 34 14.771 -58.100 4.038 1.00 61.14 ATOM 548 C LYS 34 12.997 -51.122 2.083 1.00 41.32 ATOM 549 O LYS 34 11.988 -50.957 2.769 1.00 43.05 ATOM 550 N ARG 35 13.334 -50.292 1.098 1.00 51.13 ATOM 551 HN ARG 35 14.156 -50.459 0.592 1.00 38.14 ATOM 552 CA ARG 35 12.500 -49.138 0.751 1.00 25.23 ATOM 553 HA ARG 35 12.209 -48.657 1.674 1.00 71.54 ATOM 554 CB ARG 35 13.284 -48.133 -0.103 1.00 41.44 ATOM 555 HB1 ARG 35 13.621 -48.628 -1.003 1.00 38.14 ATOM 556 HB2 ARG 35 14.147 -47.799 0.457 1.00 2.12 ATOM 557 CG ARG 35 12.470 -46.905 -0.506 1.00 4.40 ATOM 558 HG1 ARG 35 12.063 -46.450 0.386 1.00 38.14 ATOM 559 HG2 ARG 35 11.662 -47.214 -1.154 1.00 13.15 ATOM 560 CD ARG 35 13.321 -45.877 -1.239 1.00 21.44 ATOM 561 HD1 ARG 35 12.702 -45.028 -1.495 1.00 38.14 ATOM 562 HD2 ARG 35 13.706 -46.325 -2.145 1.00 22.14 ATOM 563 NE ARG 35 14.443 -45.424 -0.423 1.00 25.45 ATOM 564 HE ARG 35 15.204 -46.030 -0.320 1.00 51.11 ATOM 565 CZ ARG 35 14.499 -44.270 0.182 1.00 34.40 ATOM 566 NH1 ARG 35 13.521 -43.427 0.097 1.00 52.11 ATOM 567 HH11 ARG 35 12.714 -43.654 -0.434 1.00 15.23 ATOM 568 HH12 ARG 35 13.579 -42.546 0.571 1.00 61.44 ATOM 569 NH2 ARG 35 15.540 -43.965 0.877 1.00 34.13 ATOM 570 HH21 ARG 35 16.300 -44.615 0.947 1.00 2.02 ATOM 571 HH22 ARG 35 15.592 -43.085 1.339 1.00 74.31 ATOM 572 C ARG 35 11.231 -49.579 0.012 1.00 44.25 ATOM 573 O ARG 35 10.121 -49.347 0.485 1.00 44.15 ATOM 574 N LYS 36 11.397 -50.214 -1.153 1.00 63.43 ATOM 575 HN LYS 36 12.300 -50.343 -1.502 1.00 38.14 ATOM 576 CA LYS 36 10.244 -50.701 -1.923 1.00 54.45 ATOM 577 HA LYS 36 9.623 -49.837 -2.131 1.00 74.12 ATOM 578 CB LYS 36 10.662 -51.328 -3.270 1.00 74.04 ATOM 579 HB1 LYS 36 11.242 -50.599 -3.820 1.00 38.14 ATOM 580 HB2 LYS 36 9.768 -51.548 -3.836 1.00 12.04 ATOM 581 CG LYS 36 11.486 -52.617 -3.176 1.00 21.15 ATOM 582 HG1 LYS 36 11.431 -53.133 -4.125 1.00 38.14 ATOM 583 HG2 LYS 36 11.063 -53.246 -2.406 1.00 34.14 ATOM 584 CD LYS 36 12.951 -52.356 -2.842 1.00 55.35 ATOM 585 HD1 LYS 36 13.468 -53.305 -2.796 1.00 38.14 ATOM 586 HD2 LYS 36 13.011 -51.874 -1.879 1.00 10.24 ATOM 587 CE LYS 36 13.634 -51.473 -3.886 1.00 3.31 ATOM 588 HE1 LYS 36 14.640 -51.259 -3.554 1.00 38.14 ATOM 589 HE2 LYS 36 13.085 -50.548 -3.974 1.00 51.15 ATOM 590 NZ LYS 36 13.699 -52.121 -5.223 1.00 73.10 ATOM 591 HZ1 LYS 36 12.741 -52.268 -5.599 1.00 74.24 ATOM 592 HZ2 LYS 36 14.178 -53.041 -5.154 1.00 11.14 ATOM 593 HZ3 LYS 36 14.229 -51.516 -5.885 1.00 23.03 ATOM 594 C LYS 36 9.406 -51.693 -1.101 1.00 61.12 ATOM 595 O LYS 36 8.183 -51.733 -1.235 1.00 70.23 ATOM 596 N GLU 37 10.067 -52.487 -0.248 1.00 25.24 ATOM 597 HN GLU 37 11.046 -52.509 -0.273 1.00 38.14 ATOM 598 CA GLU 37 9.354 -53.334 0.716 1.00 22.42 ATOM 599 HA GLU 37 8.726 -54.016 0.158 1.00 50.31 ATOM 600 CB GLU 37 10.334 -54.150 1.581 1.00 32.45 ATOM 601 HB1 GLU 37 9.788 -54.583 2.409 1.00 38.14 ATOM 602 HB2 GLU 37 11.087 -53.483 1.976 1.00 11.25 ATOM 603 CG GLU 37 11.043 -55.280 0.842 1.00 1.03 ATOM 604 HG1 GLU 37 11.713 -54.851 0.110 1.00 38.14 ATOM 605 HG2 GLU 37 10.302 -55.887 0.339 1.00 32.21 ATOM 606 CD GLU 37 11.844 -56.171 1.785 1.00 11.11 ATOM 607 OE1 GLU 37 11.255 -56.698 2.756 1.00 45.12 ATOM 608 OE2 GLU 37 13.055 -56.368 1.557 1.00 2.01 ATOM 609 C GLU 37 8.466 -52.476 1.627 1.00 5.51 ATOM 610 O GLU 37 7.243 -52.609 1.622 1.00 25.13 ATOM 611 N PHE 38 9.096 -51.571 2.382 1.00 21.40 ATOM 612 HN PHE 38 10.071 -51.498 2.320 1.00 38.14 ATOM 613 CA PHE 38 8.376 -50.679 3.300 1.00 55.24 ATOM 614 HA PHE 38 7.981 -51.287 4.101 1.00 23.53 ATOM 615 CB PHE 38 9.338 -49.639 3.896 1.00 3.55 ATOM 616 HB1 PHE 38 9.804 -49.086 3.091 1.00 38.14 ATOM 617 HB2 PHE 38 10.104 -50.152 4.459 1.00 21.33 ATOM 618 CG PHE 38 8.673 -48.646 4.820 1.00 72.41 ATOM 619 CD1 PHE 38 8.355 -47.368 4.378 1.00 10.43 ATOM 620 HD1 PHE 38 8.589 -47.085 3.362 1.00 72.20 ATOM 621 CD2 PHE 38 8.363 -48.991 6.128 1.00 31.34 ATOM 622 HD2 PHE 38 8.604 -49.982 6.486 1.00 13.42 ATOM 623 CE1 PHE 38 7.742 -46.460 5.220 1.00 60.11 ATOM 624 HE1 PHE 38 7.502 -45.468 4.864 1.00 55.42 ATOM 625 CE2 PHE 38 7.751 -48.086 6.973 1.00 52.23 ATOM 626 HE2 PHE 38 7.515 -48.369 7.989 1.00 11.43 ATOM 627 CZ PHE 38 7.441 -46.819 6.518 1.00 43.45 ATOM 628 HZ PHE 38 6.961 -46.109 7.178 1.00 71.35 ATOM 629 C PHE 38 7.206 -49.971 2.600 1.00 5.23 ATOM 630 O PHE 38 6.120 -49.860 3.160 1.00 33.32 ATOM 631 N LEU 39 7.436 -49.505 1.373 1.00 1.35 ATOM 632 HN LEU 39 8.324 -49.627 0.980 1.00 38.14 ATOM 633 CA LEU 39 6.401 -48.814 0.594 1.00 5.31 ATOM 634 HA LEU 39 6.035 -47.993 1.195 1.00 42.25 ATOM 635 CB LEU 39 7.002 -48.242 -0.700 1.00 73.13 ATOM 636 HB1 LEU 39 6.199 -47.822 -1.292 1.00 38.14 ATOM 637 HB2 LEU 39 7.443 -49.058 -1.257 1.00 4.43 ATOM 638 CG LEU 39 8.073 -47.154 -0.504 1.00 11.44 ATOM 639 HG LEU 39 8.903 -47.573 0.049 1.00 60.55 ATOM 640 CD1 LEU 39 8.609 -46.672 -1.850 1.00 4.42 ATOM 641 HD11 LEU 39 9.344 -45.896 -1.690 1.00 12.51 ATOM 642 HD12 LEU 39 7.797 -46.280 -2.445 1.00 44.34 ATOM 643 HD13 LEU 39 9.069 -47.500 -2.372 1.00 20.41 ATOM 644 CD2 LEU 39 7.515 -45.983 0.304 1.00 44.34 ATOM 645 HD21 LEU 39 6.678 -45.546 -0.222 1.00 4.12 ATOM 646 HD22 LEU 39 8.285 -45.237 0.436 1.00 50.21 ATOM 647 HD23 LEU 39 7.187 -46.334 1.271 1.00 13.15 ATOM 648 C LEU 39 5.216 -49.740 0.268 1.00 71.31 ATOM 649 O LEU 39 4.061 -49.377 0.488 1.00 53.12 ATOM 650 N ASP 40 5.502 -50.935 -0.248 1.00 3.35 ATOM 651 HN ASP 40 6.442 -51.178 -0.401 1.00 38.14 ATOM 652 CA ASP 40 4.449 -51.902 -0.581 1.00 71.11 ATOM 653 HA ASP 40 3.769 -51.420 -1.271 1.00 53.22 ATOM 654 CB ASP 40 5.058 -53.131 -1.266 1.00 63.13 ATOM 655 HB1 ASP 40 5.796 -53.572 -0.610 1.00 38.14 ATOM 656 HB2 ASP 40 5.540 -52.822 -2.183 1.00 23.51 ATOM 657 CG ASP 40 4.017 -54.183 -1.607 1.00 33.13 ATOM 658 OD1 ASP 40 4.136 -55.329 -1.123 1.00 22.21 ATOM 659 OD2 ASP 40 3.063 -53.867 -2.349 1.00 3.53 ATOM 660 C ASP 40 3.661 -52.316 0.675 1.00 2.31 ATOM 661 O ASP 40 2.426 -52.288 0.686 1.00 71.20 ATOM 662 N ASP 41 4.385 -52.687 1.729 1.00 54.10 ATOM 663 HN ASP 41 5.362 -52.737 1.640 1.00 38.14 ATOM 664 CA ASP 41 3.774 -53.035 3.012 1.00 33.22 ATOM 665 HA ASP 41 3.085 -53.850 2.834 1.00 11.32 ATOM 666 CB ASP 41 4.853 -53.506 3.998 1.00 63.01 ATOM 667 HB1 ASP 41 4.425 -53.568 4.990 1.00 38.14 ATOM 668 HB2 ASP 41 5.661 -52.787 4.008 1.00 13.34 ATOM 669 CG ASP 41 5.428 -54.869 3.633 1.00 74.13 ATOM 670 OD1 ASP 41 6.322 -54.941 2.769 1.00 13.10 ATOM 671 OD2 ASP 41 4.979 -55.881 4.213 1.00 22.14 ATOM 672 C ASP 41 2.985 -51.851 3.611 1.00 63.12 ATOM 673 O ASP 41 1.930 -52.044 4.216 1.00 12.31 ATOM 674 N LEU 42 3.497 -50.633 3.434 1.00 21.14 ATOM 675 HN LEU 42 4.341 -50.540 2.940 1.00 38.14 ATOM 676 CA LEU 42 2.846 -49.424 3.964 1.00 30.04 ATOM 677 HA LEU 42 2.624 -49.598 5.007 1.00 41.10 ATOM 678 CB LEU 42 3.798 -48.222 3.854 1.00 1.22 ATOM 679 HB1 LEU 42 4.092 -48.120 2.818 1.00 38.14 ATOM 680 HB2 LEU 42 4.682 -48.440 4.437 1.00 14.10 ATOM 681 CG LEU 42 3.229 -46.873 4.326 1.00 0.44 ATOM 682 HG LEU 42 2.278 -46.704 3.840 1.00 64.42 ATOM 683 CD1 LEU 42 2.980 -46.885 5.831 1.00 25.34 ATOM 684 HD11 LEU 42 2.595 -45.924 6.141 1.00 71.31 ATOM 685 HD12 LEU 42 3.906 -47.085 6.350 1.00 2.15 ATOM 686 HD13 LEU 42 2.260 -47.654 6.071 1.00 1.22 ATOM 687 CD2 LEU 42 4.164 -45.729 3.936 1.00 24.43 ATOM 688 HD21 LEU 42 5.133 -45.881 4.391 1.00 51.44 ATOM 689 HD22 LEU 42 3.751 -44.791 4.278 1.00 61.41 ATOM 690 HD23 LEU 42 4.272 -45.702 2.862 1.00 15.43 ATOM 691 C LEU 42 1.535 -49.106 3.224 1.00 50.44 ATOM 692 O LEU 42 0.463 -49.062 3.834 1.00 22.33 ATOM 693 N PHE 43 1.631 -48.902 1.908 1.00 43.11 ATOM 694 HN PHE 43 2.503 -49.015 1.474 1.00 38.14 ATOM 695 CA PHE 43 0.473 -48.512 1.091 1.00 74.44 ATOM 696 HA PHE 43 0.129 -47.551 1.449 1.00 22.33 ATOM 697 CB PHE 43 0.870 -48.373 -0.390 1.00 41.21 ATOM 698 HB1 PHE 43 -0.001 -48.080 -0.960 1.00 38.14 ATOM 699 HB2 PHE 43 1.217 -49.331 -0.750 1.00 45.15 ATOM 700 CG PHE 43 1.961 -47.356 -0.655 1.00 0.01 ATOM 701 CD1 PHE 43 2.090 -46.219 0.135 1.00 72.55 ATOM 702 HD1 PHE 43 1.403 -46.062 0.955 1.00 60.34 ATOM 703 CD2 PHE 43 2.855 -47.538 -1.705 1.00 12.40 ATOM 704 HD2 PHE 43 2.768 -48.414 -2.330 1.00 61.53 ATOM 705 CE1 PHE 43 3.085 -45.290 -0.114 1.00 42.33 ATOM 706 HE1 PHE 43 3.172 -44.412 0.508 1.00 74.54 ATOM 707 CE2 PHE 43 3.852 -46.611 -1.956 1.00 43.42 ATOM 708 HE2 PHE 43 4.540 -46.766 -2.775 1.00 24.10 ATOM 709 CZ PHE 43 3.966 -45.487 -1.160 1.00 42.30 ATOM 710 HZ PHE 43 4.745 -44.762 -1.355 1.00 21.40 ATOM 711 C PHE 43 -0.675 -49.521 1.222 1.00 20.33 ATOM 712 O PHE 43 -1.832 -49.142 1.417 1.00 5.24 ATOM 713 N SER 44 -0.348 -50.806 1.117 1.00 24.34 ATOM 714 HN SER 44 0.588 -51.048 0.937 1.00 38.14 ATOM 715 CA SER 44 -1.350 -51.866 1.252 1.00 32.31 ATOM 716 HA SER 44 -2.121 -51.686 0.513 1.00 13.10 ATOM 717 CB SER 44 -0.721 -53.239 0.986 1.00 40.45 ATOM 718 HB1 SER 44 -1.480 -54.003 1.070 1.00 38.14 ATOM 719 HB2 SER 44 0.058 -53.424 1.712 1.00 1.02 ATOM 720 OG SER 44 -0.153 -53.303 -0.316 1.00 52.13 ATOM 721 HG SER 44 0.560 -53.957 -0.319 1.00 64.52 ATOM 722 C SER 44 -1.994 -51.852 2.644 1.00 43.04 ATOM 723 O SER 44 -3.217 -51.910 2.770 1.00 62.54 ATOM 724 N PHE 45 -1.161 -51.751 3.681 1.00 10.15 ATOM 725 HN PHE 45 -0.197 -51.674 3.510 1.00 38.14 ATOM 726 CA PHE 45 -1.635 -51.745 5.072 1.00 62.23 ATOM 727 HA PHE 45 -2.140 -52.684 5.250 1.00 43.31 ATOM 728 CB PHE 45 -0.439 -51.638 6.032 1.00 14.10 ATOM 729 HB1 PHE 45 0.131 -50.752 5.787 1.00 38.14 ATOM 730 HB2 PHE 45 0.192 -52.507 5.907 1.00 32.15 ATOM 731 CG PHE 45 -0.828 -51.559 7.488 1.00 72.14 ATOM 732 CD1 PHE 45 -1.249 -52.691 8.170 1.00 70.05 ATOM 733 HD1 PHE 45 -1.292 -53.638 7.650 1.00 43.04 ATOM 734 CD2 PHE 45 -0.777 -50.352 8.172 1.00 62.15 ATOM 735 HD2 PHE 45 -0.451 -49.460 7.653 1.00 51.52 ATOM 736 CE1 PHE 45 -1.611 -52.621 9.501 1.00 1.30 ATOM 737 HE1 PHE 45 -1.937 -53.511 10.021 1.00 64.31 ATOM 738 CE2 PHE 45 -1.137 -50.280 9.502 1.00 3.43 ATOM 739 HE2 PHE 45 -1.092 -49.334 10.022 1.00 74.25 ATOM 740 CZ PHE 45 -1.554 -51.415 10.167 1.00 31.03 ATOM 741 HZ PHE 45 -1.838 -51.359 11.208 1.00 2.31 ATOM 742 C PHE 45 -2.627 -50.598 5.336 1.00 44.11 ATOM 743 O PHE 45 -3.773 -50.828 5.735 1.00 3.13 ATOM 744 N MET 46 -2.186 -49.361 5.107 1.00 51.23 ATOM 745 HN MET 46 -1.271 -49.233 4.769 1.00 38.14 ATOM 746 CA MET 46 -3.033 -48.189 5.352 1.00 31.54 ATOM 747 HA MET 46 -3.297 -48.200 6.401 1.00 31.32 ATOM 748 CB MET 46 -2.255 -46.895 5.059 1.00 30.11 ATOM 749 HB1 MET 46 -1.378 -46.864 5.694 1.00 38.14 ATOM 750 HB2 MET 46 -2.886 -46.052 5.299 1.00 20.34 ATOM 751 CG MET 46 -1.800 -46.746 3.613 1.00 54.03 ATOM 752 HG1 MET 46 -2.673 -46.661 2.981 1.00 38.14 ATOM 753 HG2 MET 46 -1.239 -47.625 3.331 1.00 12.35 ATOM 754 SD MET 46 -0.761 -45.294 3.360 1.00 71.00 ATOM 755 CE MET 46 -1.824 -43.996 3.990 1.00 61.43 ATOM 756 HE1 MET 46 -2.721 -43.939 3.390 1.00 32.43 ATOM 757 HE2 MET 46 -1.300 -43.053 3.948 1.00 62.33 ATOM 758 HE3 MET 46 -2.088 -44.213 5.014 1.00 61.33 ATOM 759 C MET 46 -4.333 -48.252 4.525 1.00 3.14 ATOM 760 O MET 46 -5.404 -47.866 4.999 1.00 74.13 ATOM 761 N GLN 47 -4.238 -48.770 3.302 1.00 4.12 ATOM 762 HN GLN 47 -3.356 -49.046 2.968 1.00 38.14 ATOM 763 CA GLN 47 -5.411 -48.926 2.435 1.00 42.12 ATOM 764 HA GLN 47 -5.891 -47.961 2.356 1.00 62.12 ATOM 765 CB GLN 47 -4.973 -49.377 1.036 1.00 21.04 ATOM 766 HB1 GLN 47 -4.456 -50.323 1.121 1.00 38.14 ATOM 767 HB2 GLN 47 -4.291 -48.643 0.630 1.00 12.04 ATOM 768 CG GLN 47 -6.128 -49.551 0.054 1.00 54.41 ATOM 769 HG1 GLN 47 -6.617 -48.597 -0.079 1.00 38.14 ATOM 770 HG2 GLN 47 -6.830 -50.259 0.468 1.00 23.31 ATOM 771 CD GLN 47 -5.675 -50.059 -1.304 1.00 73.41 ATOM 772 OE1 GLN 47 -4.700 -50.794 -1.413 1.00 63.15 ATOM 773 NE2 GLN 47 -6.381 -49.678 -2.347 1.00 63.31 ATOM 774 HE21 GLN 47 -7.151 -49.091 -2.199 1.00 45.11 ATOM 775 HE22 GLN 47 -6.103 -50.002 -3.233 1.00 63.33 ATOM 776 C GLN 47 -6.421 -49.934 3.018 1.00 53.15 ATOM 777 O GLN 47 -7.635 -49.730 2.940 1.00 62.42 ATOM 778 N LYS 48 -5.911 -51.016 3.606 1.00 41.52 ATOM 779 HN LYS 48 -4.934 -51.105 3.668 1.00 38.14 ATOM 780 CA LYS 48 -6.760 -52.079 4.164 1.00 52.40 ATOM 781 HA LYS 48 -7.499 -52.330 3.415 1.00 34.25 ATOM 782 CB LYS 48 -5.919 -53.329 4.456 1.00 1.42 ATOM 783 HB1 LYS 48 -6.530 -54.052 4.978 1.00 38.14 ATOM 784 HB2 LYS 48 -5.086 -53.050 5.090 1.00 61.50 ATOM 785 CG LYS 48 -5.366 -53.989 3.195 1.00 52.11 ATOM 786 HG1 LYS 48 -4.856 -53.239 2.605 1.00 38.14 ATOM 787 HG2 LYS 48 -6.190 -54.392 2.624 1.00 41.12 ATOM 788 CD LYS 48 -4.389 -55.117 3.513 1.00 30.43 ATOM 789 HD1 LYS 48 -4.914 -55.893 4.054 1.00 38.14 ATOM 790 HD2 LYS 48 -3.591 -54.727 4.127 1.00 15.22 ATOM 791 CE LYS 48 -3.790 -55.716 2.244 1.00 61.04 ATOM 792 HE1 LYS 48 -3.354 -54.921 1.655 1.00 38.14 ATOM 793 HE2 LYS 48 -4.577 -56.190 1.676 1.00 54.52 ATOM 794 NZ LYS 48 -2.741 -56.725 2.541 1.00 73.30 ATOM 795 HZ1 LYS 48 -3.138 -57.500 3.110 1.00 65.40 ATOM 796 HZ2 LYS 48 -1.962 -56.288 3.071 1.00 52.04 ATOM 797 HZ3 LYS 48 -2.363 -57.121 1.654 1.00 61.33 ATOM 798 C LYS 48 -7.500 -51.622 5.430 1.00 23.44 ATOM 799 O LYS 48 -8.589 -52.112 5.732 1.00 54.41 ATOM 800 N ARG 49 -6.916 -50.681 6.167 1.00 43.11 ATOM 801 HN ARG 49 -6.028 -50.352 5.909 1.00 38.14 ATOM 802 CA ARG 49 -7.564 -50.143 7.371 1.00 71.22 ATOM 803 HA ARG 49 -8.249 -50.899 7.732 1.00 14.54 ATOM 804 CB ARG 49 -6.520 -49.877 8.464 1.00 21.12 ATOM 805 HB1 ARG 49 -6.039 -50.812 8.716 1.00 38.14 ATOM 806 HB2 ARG 49 -7.026 -49.500 9.341 1.00 53.24 ATOM 807 CG ARG 49 -5.439 -48.875 8.074 1.00 20.22 ATOM 808 HG1 ARG 49 -5.888 -47.897 7.970 1.00 38.14 ATOM 809 HG2 ARG 49 -5.004 -49.175 7.131 1.00 32.41 ATOM 810 CD ARG 49 -4.335 -48.803 9.122 1.00 51.41 ATOM 811 HD1 ARG 49 -3.602 -48.078 8.800 1.00 38.14 ATOM 812 HD2 ARG 49 -3.864 -49.774 9.200 1.00 52.33 ATOM 813 NE ARG 49 -4.839 -48.407 10.439 1.00 44.21 ATOM 814 HE ARG 49 -5.259 -47.525 10.516 1.00 24.41 ATOM 815 CZ ARG 49 -4.744 -49.140 11.518 1.00 3.11 ATOM 816 NH1 ARG 49 -4.227 -50.324 11.468 1.00 2.34 ATOM 817 HH11 ARG 49 -3.899 -50.689 10.604 1.00 64.14 ATOM 818 HH12 ARG 49 -4.153 -50.869 12.303 1.00 63.41 ATOM 819 NH2 ARG 49 -5.180 -48.689 12.650 1.00 53.41 ATOM 820 HH21 ARG 49 -5.594 -47.778 12.699 1.00 30.12 ATOM 821 HH22 ARG 49 -5.099 -49.247 13.475 1.00 1.24 ATOM 822 C ARG 49 -8.382 -48.872 7.062 1.00 32.12 ATOM 823 O ARG 49 -8.777 -48.138 7.970 1.00 21.54 ATOM 824 N GLY 50 -8.639 -48.623 5.776 1.00 1.45 ATOM 825 HN GLY 50 -8.216 -49.180 5.089 1.00 38.14 ATOM 826 CA GLY 50 -9.553 -47.552 5.381 1.00 40.21 ATOM 827 HA1 GLY 50 -10.340 -47.482 6.120 1.00 38.14 ATOM 828 HA2 GLY 50 -10.000 -47.822 4.437 1.00 21.30 ATOM 829 C GLY 50 -8.907 -46.175 5.224 1.00 45.41 ATOM 830 O GLY 50 -9.519 -45.158 5.565 1.00 70.44 ATOM 831 N THR 51 -7.678 -46.127 4.710 1.00 11.04 ATOM 832 HN THR 51 -7.202 -46.966 4.531 1.00 38.14 ATOM 833 CA THR 51 -7.014 -44.843 4.411 1.00 15.41 ATOM 834 HA THR 51 -7.748 -44.215 3.923 1.00 65.43 ATOM 835 CB THR 51 -6.551 -44.102 5.699 1.00 35.10 ATOM 836 HB THR 51 -7.434 -43.829 6.263 1.00 61.53 ATOM 837 OG1 THR 51 -5.846 -42.893 5.357 1.00 43.25 ATOM 838 HG1 THR 51 -4.894 -43.046 5.415 1.00 55.41 ATOM 839 CG2 THR 51 -5.674 -44.989 6.585 1.00 21.33 ATOM 840 HG21 THR 51 -4.812 -45.322 6.026 1.00 21.33 ATOM 841 HG22 THR 51 -6.243 -45.847 6.913 1.00 62.01 ATOM 842 HG23 THR 51 -5.347 -44.426 7.447 1.00 12.25 ATOM 843 C THR 51 -5.826 -45.016 3.444 1.00 73.13 ATOM 844 O THR 51 -4.692 -45.243 3.861 1.00 14.11 ATOM 845 N PRO 52 -6.081 -44.935 2.121 1.00 3.24 ATOM 846 CA PRO 52 -5.033 -45.073 1.096 1.00 33.55 ATOM 847 HA PRO 52 -4.322 -45.845 1.359 1.00 50.23 ATOM 848 CB PRO 52 -5.839 -45.515 -0.130 1.00 54.53 ATOM 849 HB1 PRO 52 -5.961 -46.589 -0.121 1.00 38.14 ATOM 850 HB2 PRO 52 -5.327 -45.212 -1.036 1.00 51.32 ATOM 851 CG PRO 52 -7.149 -44.815 0.022 1.00 70.45 ATOM 852 HG1 PRO 52 -7.929 -45.387 -0.461 1.00 38.14 ATOM 853 HG2 PRO 52 -7.089 -43.826 -0.414 1.00 71.50 ATOM 854 CD PRO 52 -7.411 -44.720 1.511 1.00 72.22 ATOM 855 HD1 PRO 52 -8.105 -45.489 1.823 1.00 38.14 ATOM 856 HD2 PRO 52 -7.797 -43.742 1.764 1.00 75.04 ATOM 857 C PRO 52 -4.274 -43.759 0.809 1.00 75.51 ATOM 858 O PRO 52 -4.406 -42.768 1.534 1.00 23.41 ATOM 859 N VAL 53 -3.478 -43.762 -0.261 1.00 21.23 ATOM 860 HN VAL 53 -3.426 -44.573 -0.812 1.00 38.14 ATOM 861 CA VAL 53 -2.681 -42.589 -0.645 1.00 73.01 ATOM 862 HA VAL 53 -2.609 -41.937 0.217 1.00 2.53 ATOM 863 CB VAL 53 -1.245 -43.002 -1.059 1.00 71.30 ATOM 864 HB VAL 53 -1.315 -43.648 -1.924 1.00 51.53 ATOM 865 CG1 VAL 53 -0.409 -41.779 -1.448 1.00 33.35 ATOM 866 HG11 VAL 53 -0.324 -41.114 -0.600 1.00 51.22 ATOM 867 HG12 VAL 53 -0.888 -41.258 -2.264 1.00 1.43 ATOM 868 HG13 VAL 53 0.578 -42.097 -1.755 1.00 51.50 ATOM 869 CG2 VAL 53 -0.571 -43.787 0.065 1.00 1.41 ATOM 870 HG21 VAL 53 -0.504 -43.167 0.949 1.00 75.31 ATOM 871 HG22 VAL 53 0.422 -44.082 -0.243 1.00 42.11 ATOM 872 HG23 VAL 53 -1.153 -44.670 0.289 1.00 34.21 ATOM 873 C VAL 53 -3.336 -41.813 -1.801 1.00 14.12 ATOM 874 O VAL 53 -3.443 -42.321 -2.920 1.00 53.44 ATOM 875 N ASN 54 -3.778 -40.588 -1.518 1.00 41.50 ATOM 876 HN ASN 54 -3.725 -40.269 -0.591 1.00 38.14 ATOM 877 CA ASN 54 -4.356 -39.708 -2.541 1.00 64.22 ATOM 878 HA ASN 54 -5.062 -40.289 -3.119 1.00 24.14 ATOM 879 CB ASN 54 -5.100 -38.546 -1.864 1.00 75.52 ATOM 880 HB1 ASN 54 -4.431 -38.055 -1.172 1.00 38.14 ATOM 881 HB2 ASN 54 -5.945 -38.940 -1.317 1.00 3.21 ATOM 882 CG ASN 54 -5.612 -37.512 -2.853 1.00 11.14 ATOM 883 OD1 ASN 54 -4.931 -36.539 -3.166 1.00 24.35 ATOM 884 ND2 ASN 54 -6.810 -37.710 -3.354 1.00 11.15 ATOM 885 HD21 ASN 54 -7.306 -38.504 -3.068 1.00 34.52 ATOM 886 HD22 ASN 54 -7.158 -37.051 -3.996 1.00 21.15 ATOM 887 C ASN 54 -3.266 -39.168 -3.484 1.00 25.32 ATOM 888 O ASN 54 -3.157 -39.589 -4.637 1.00 45.32 ATOM 889 N ARG 55 -2.467 -38.232 -2.976 1.00 61.40 ATOM 890 HN ARG 55 -2.628 -37.926 -2.059 1.00 38.14 ATOM 891 CA ARG 55 -1.354 -37.640 -3.727 1.00 3.43 ATOM 892 HA ARG 55 -0.982 -38.391 -4.412 1.00 51.20 ATOM 893 CB ARG 55 -1.833 -36.415 -4.534 1.00 1.33 ATOM 894 HB1 ARG 55 -0.978 -35.792 -4.763 1.00 38.14 ATOM 895 HB2 ARG 55 -2.523 -35.848 -3.925 1.00 43.22 ATOM 896 CG ARG 55 -2.531 -36.774 -5.849 1.00 54.50 ATOM 897 HG1 ARG 55 -3.256 -37.553 -5.658 1.00 38.14 ATOM 898 HG2 ARG 55 -1.792 -37.138 -6.548 1.00 2.51 ATOM 899 CD ARG 55 -3.245 -35.577 -6.471 1.00 23.13 ATOM 900 HD1 ARG 55 -3.543 -35.834 -7.479 1.00 38.14 ATOM 901 HD2 ARG 55 -2.564 -34.738 -6.503 1.00 1.14 ATOM 902 NE ARG 55 -4.433 -35.197 -5.709 1.00 13.21 ATOM 903 HE ARG 55 -4.731 -35.805 -5.003 1.00 25.22 ATOM 904 CZ ARG 55 -5.132 -34.118 -5.927 1.00 71.43 ATOM 905 NH1 ARG 55 -4.785 -33.273 -6.847 1.00 35.33 ATOM 906 HH11 ARG 55 -3.972 -33.442 -7.406 1.00 51.13 ATOM 907 HH12 ARG 55 -5.336 -32.457 -7.005 1.00 43.25 ATOM 908 NH2 ARG 55 -6.185 -33.882 -5.219 1.00 42.23 ATOM 909 HH21 ARG 55 -6.466 -34.528 -4.510 1.00 21.20 ATOM 910 HH22 ARG 55 -6.716 -33.055 -5.379 1.00 1.54 ATOM 911 C ARG 55 -0.217 -37.245 -2.772 1.00 3.21 ATOM 912 O ARG 55 -0.465 -36.779 -1.660 1.00 4.42 ATOM 913 N ILE 56 1.022 -37.430 -3.211 1.00 31.31 ATOM 914 HN ILE 56 1.158 -37.733 -4.132 1.00 38.14 ATOM 915 CA ILE 56 2.195 -37.189 -2.361 1.00 4.12 ATOM 916 HA ILE 56 2.056 -37.747 -1.444 1.00 2.44 ATOM 917 CB ILE 56 3.480 -37.711 -3.048 1.00 44.43 ATOM 918 HB ILE 56 3.624 -37.150 -3.962 1.00 63.44 ATOM 919 CG1 ILE 56 3.326 -39.202 -3.396 1.00 71.13 ATOM 920 HG11 ILE 56 2.446 -39.335 -4.011 1.00 38.14 ATOM 921 HG12 ILE 56 3.209 -39.770 -2.485 1.00 13.45 ATOM 922 CG2 ILE 56 4.705 -37.484 -2.157 1.00 62.33 ATOM 923 HG21 ILE 56 4.821 -36.428 -1.965 1.00 14.34 ATOM 924 HG22 ILE 56 5.588 -37.855 -2.656 1.00 42.54 ATOM 925 HG23 ILE 56 4.575 -38.007 -1.220 1.00 2.21 ATOM 926 CD1 ILE 56 4.506 -39.775 -4.147 1.00 2.30 ATOM 927 HD11 ILE 56 5.392 -39.709 -3.532 1.00 74.03 ATOM 928 HD12 ILE 56 4.660 -39.217 -5.059 1.00 34.34 ATOM 929 HD13 ILE 56 4.311 -40.809 -4.388 1.00 0.22 ATOM 930 C ILE 56 2.373 -35.696 -2.017 1.00 55.14 ATOM 931 O ILE 56 2.326 -34.838 -2.901 1.00 55.45 ATOM 932 N PRO 57 2.570 -35.366 -0.722 1.00 24.22 ATOM 933 CA PRO 57 2.832 -33.981 -0.288 1.00 11.43 ATOM 934 HA PRO 57 2.045 -33.314 -0.615 1.00 25.33 ATOM 935 CB PRO 57 2.816 -34.079 1.247 1.00 52.05 ATOM 936 HB1 PRO 57 1.835 -33.820 1.618 1.00 38.14 ATOM 937 HB2 PRO 57 3.551 -33.405 1.667 1.00 61.12 ATOM 938 CG PRO 57 3.148 -35.504 1.540 1.00 31.41 ATOM 939 HG1 PRO 57 2.721 -35.795 2.489 1.00 38.14 ATOM 940 HG2 PRO 57 4.221 -35.636 1.553 1.00 40.53 ATOM 941 CD PRO 57 2.535 -36.303 0.420 1.00 61.11 ATOM 942 HD1 PRO 57 1.517 -36.578 0.662 1.00 38.14 ATOM 943 HD2 PRO 57 3.126 -37.186 0.215 1.00 74.43 ATOM 944 C PRO 57 4.189 -33.445 -0.786 1.00 42.53 ATOM 945 O PRO 57 5.252 -33.940 -0.399 1.00 72.55 ATOM 946 N ILE 58 4.144 -32.439 -1.661 1.00 14.44 ATOM 947 HN ILE 58 3.273 -32.123 -1.976 1.00 38.14 ATOM 948 CA ILE 58 5.363 -31.803 -2.171 1.00 55.04 ATOM 949 HA ILE 58 6.101 -32.580 -2.326 1.00 70.54 ATOM 950 CB ILE 58 5.108 -31.099 -3.533 1.00 23.33 ATOM 951 HB ILE 58 4.357 -30.335 -3.380 1.00 44.14 ATOM 952 CG1 ILE 58 4.583 -32.111 -4.572 1.00 73.44 ATOM 953 HG11 ILE 58 4.434 -31.605 -5.517 1.00 38.14 ATOM 954 HG12 ILE 58 3.639 -32.508 -4.232 1.00 71.04 ATOM 955 CG2 ILE 58 6.379 -30.412 -4.037 1.00 72.14 ATOM 956 HG21 ILE 58 7.169 -31.142 -4.139 1.00 10.12 ATOM 957 HG22 ILE 58 6.681 -29.652 -3.332 1.00 14.31 ATOM 958 HG23 ILE 58 6.187 -29.953 -4.998 1.00 73.35 ATOM 959 CD1 ILE 58 5.512 -33.284 -4.817 1.00 73.33 ATOM 960 HD11 ILE 58 5.640 -33.841 -3.900 1.00 34.02 ATOM 961 HD12 ILE 58 6.472 -32.922 -5.157 1.00 12.34 ATOM 962 HD13 ILE 58 5.085 -33.928 -5.571 1.00 62.22 ATOM 963 C ILE 58 5.921 -30.791 -1.156 1.00 72.00 ATOM 964 O ILE 58 5.346 -29.719 -0.944 1.00 72.20 ATOM 965 N MET 59 7.038 -31.143 -0.525 1.00 53.51 ATOM 966 HN MET 59 7.474 -31.986 -0.773 1.00 38.14 ATOM 967 CA MET 59 7.652 -30.305 0.509 1.00 54.42 ATOM 968 HA MET 59 6.905 -29.613 0.875 1.00 1.21 ATOM 969 CB MET 59 8.139 -31.185 1.674 1.00 65.31 ATOM 970 HB1 MET 59 9.056 -31.677 1.381 1.00 38.14 ATOM 971 HB2 MET 59 7.389 -31.939 1.875 1.00 31.45 ATOM 972 CG MET 59 8.398 -30.424 2.971 1.00 71.54 ATOM 973 HG1 MET 59 8.979 -29.534 2.749 1.00 38.14 ATOM 974 HG2 MET 59 8.958 -31.058 3.643 1.00 71.45 ATOM 975 SD MET 59 6.868 -29.922 3.786 1.00 60.54 ATOM 976 CE MET 59 7.492 -29.386 5.379 1.00 4.41 ATOM 977 HE1 MET 59 8.189 -28.574 5.238 1.00 35.11 ATOM 978 HE2 MET 59 7.994 -30.212 5.864 1.00 75.10 ATOM 979 HE3 MET 59 6.670 -29.053 5.996 1.00 12.22 ATOM 980 C MET 59 8.833 -29.515 -0.073 1.00 53.20 ATOM 981 O MET 59 9.812 -30.106 -0.526 1.00 21.24 ATOM 982 N ALA 60 8.732 -28.187 -0.072 1.00 60.04 ATOM 983 HN ALA 60 7.922 -27.773 0.295 1.00 38.14 ATOM 984 CA ALA 60 9.805 -27.320 -0.586 1.00 14.53 ATOM 985 HA ALA 60 9.439 -26.303 -0.564 1.00 11.54 ATOM 986 CB ALA 60 11.020 -27.399 0.331 1.00 34.43 ATOM 987 HB1 ALA 60 11.788 -26.728 -0.029 1.00 45.14 ATOM 988 HB2 ALA 60 11.401 -28.409 0.340 1.00 74.55 ATOM 989 HB3 ALA 60 10.734 -27.114 1.334 1.00 20.25 ATOM 990 C ALA 60 10.197 -27.668 -2.035 1.00 31.21 ATOM 991 O ALA 60 11.379 -27.855 -2.346 1.00 51.22 ATOM 992 N LYS 61 9.193 -27.759 -2.912 1.00 3.33 ATOM 993 HN LYS 61 8.275 -27.640 -2.586 1.00 38.14 ATOM 994 CA LYS 61 9.400 -28.020 -4.349 1.00 41.45 ATOM 995 HA LYS 61 8.440 -27.913 -4.831 1.00 61.43 ATOM 996 CB LYS 61 10.365 -26.986 -4.957 1.00 64.43 ATOM 997 HB1 LYS 61 10.451 -27.180 -6.018 1.00 38.14 ATOM 998 HB2 LYS 61 11.337 -27.108 -4.501 1.00 53.04 ATOM 999 CG LYS 61 9.931 -25.533 -4.773 1.00 53.44 ATOM 1000 HG1 LYS 61 10.763 -24.888 -5.018 1.00 38.14 ATOM 1001 HG2 LYS 61 9.652 -25.379 -3.740 1.00 51.34 ATOM 1002 CD LYS 61 8.745 -25.169 -5.660 1.00 71.31 ATOM 1003 HD1 LYS 61 8.446 -24.152 -5.444 1.00 38.14 ATOM 1004 HD2 LYS 61 7.925 -25.837 -5.441 1.00 52.23 ATOM 1005 CE LYS 61 9.087 -25.279 -7.145 1.00 60.12 ATOM 1006 HE1 LYS 61 8.225 -24.977 -7.724 1.00 38.14 ATOM 1007 HE2 LYS 61 9.329 -26.307 -7.373 1.00 30.31 ATOM 1008 NZ LYS 61 10.242 -24.420 -7.515 1.00 44.43 ATOM 1009 HZ1 LYS 61 10.403 -24.457 -8.540 1.00 34.35 ATOM 1010 HZ2 LYS 61 11.104 -24.746 -7.032 1.00 45.42 ATOM 1011 HZ3 LYS 61 10.061 -23.436 -7.241 1.00 40.53 ATOM 1012 C LYS 61 9.923 -29.443 -4.640 1.00 15.32 ATOM 1013 O LYS 61 10.187 -29.780 -5.797 1.00 20.02 ATOM 1014 N GLN 62 10.070 -30.277 -3.609 1.00 72.12 ATOM 1015 HN GLN 62 9.851 -29.968 -2.704 1.00 38.14 ATOM 1016 CA GLN 62 10.554 -31.651 -3.797 1.00 44.23 ATOM 1017 HA GLN 62 10.550 -31.858 -4.859 1.00 44.12 ATOM 1018 CB GLN 62 11.996 -31.793 -3.277 1.00 62.13 ATOM 1019 HB1 GLN 62 12.615 -31.055 -3.769 1.00 38.14 ATOM 1020 HB2 GLN 62 12.361 -32.778 -3.535 1.00 2.34 ATOM 1021 CG GLN 62 12.146 -31.612 -1.770 1.00 52.54 ATOM 1022 HG1 GLN 62 11.504 -32.323 -1.267 1.00 38.14 ATOM 1023 HG2 GLN 62 11.840 -30.609 -1.509 1.00 51.34 ATOM 1024 CD GLN 62 13.575 -31.824 -1.293 1.00 34.33 ATOM 1025 OE1 GLN 62 14.370 -30.892 -1.231 1.00 42.24 ATOM 1026 NE2 GLN 62 13.920 -33.052 -0.959 1.00 33.41 ATOM 1027 HE21 GLN 62 13.250 -33.762 -1.037 1.00 52.12 ATOM 1028 HE22 GLN 62 14.834 -33.203 -0.649 1.00 1.43 ATOM 1029 C GLN 62 9.638 -32.674 -3.107 1.00 42.22 ATOM 1030 O GLN 62 8.767 -32.318 -2.310 1.00 13.01 ATOM 1031 N VAL 63 9.840 -33.951 -3.423 1.00 11.12 ATOM 1032 HN VAL 63 10.544 -34.174 -4.072 1.00 38.14 ATOM 1033 CA VAL 63 9.042 -35.034 -2.836 1.00 44.04 ATOM 1034 HA VAL 63 8.013 -34.697 -2.787 1.00 51.23 ATOM 1035 CB VAL 63 9.088 -36.307 -3.727 1.00 31.44 ATOM 1036 HB VAL 63 8.717 -36.041 -4.709 1.00 23.50 ATOM 1037 CG1 VAL 63 10.519 -36.817 -3.891 1.00 0.04 ATOM 1038 HG11 VAL 63 10.917 -37.097 -2.927 1.00 43.53 ATOM 1039 HG12 VAL 63 11.132 -36.038 -4.320 1.00 33.25 ATOM 1040 HG13 VAL 63 10.523 -37.677 -4.546 1.00 35.30 ATOM 1041 CG2 VAL 63 8.181 -37.400 -3.164 1.00 13.01 ATOM 1042 HG21 VAL 63 8.504 -37.661 -2.167 1.00 14.33 ATOM 1043 HG22 VAL 63 8.231 -38.274 -3.799 1.00 32.24 ATOM 1044 HG23 VAL 63 7.162 -37.041 -3.129 1.00 5.13 ATOM 1045 C VAL 63 9.515 -35.380 -1.411 1.00 45.41 ATOM 1046 O VAL 63 10.716 -35.495 -1.151 1.00 35.33 ATOM 1047 N LEU 64 8.568 -35.535 -0.488 1.00 42.22 ATOM 1048 HN LEU 64 7.630 -35.408 -0.743 1.00 38.14 ATOM 1049 CA LEU 64 8.888 -35.883 0.902 1.00 60.25 ATOM 1050 HA LEU 64 9.769 -35.325 1.186 1.00 62.02 ATOM 1051 CB LEU 64 7.727 -35.478 1.829 1.00 21.03 ATOM 1052 HB1 LEU 64 6.849 -36.034 1.532 1.00 38.14 ATOM 1053 HB2 LEU 64 7.529 -34.425 1.682 1.00 23.00 ATOM 1054 CG LEU 64 7.961 -35.719 3.332 1.00 32.12 ATOM 1055 HG LEU 64 8.167 -36.769 3.492 1.00 4.50 ATOM 1056 CD1 LEU 64 9.171 -34.929 3.828 1.00 50.54 ATOM 1057 HD11 LEU 64 9.016 -33.874 3.646 1.00 55.32 ATOM 1058 HD12 LEU 64 10.056 -35.258 3.304 1.00 15.11 ATOM 1059 HD13 LEU 64 9.301 -35.096 4.888 1.00 51.52 ATOM 1060 CD2 LEU 64 6.713 -35.357 4.138 1.00 3.33 ATOM 1061 HD21 LEU 64 6.896 -35.540 5.188 1.00 51.32 ATOM 1062 HD22 LEU 64 5.882 -35.965 3.811 1.00 32.54 ATOM 1063 HD23 LEU 64 6.474 -34.312 3.992 1.00 52.55 ATOM 1064 C LEU 64 9.188 -37.387 1.047 1.00 42.12 ATOM 1065 O LEU 64 8.312 -38.231 0.843 1.00 65.15 ATOM 1066 N ASP 65 10.434 -37.714 1.391 1.00 72.23 ATOM 1067 HN ASP 65 11.092 -37.001 1.521 1.00 38.14 ATOM 1068 CA ASP 65 10.848 -39.111 1.572 1.00 33.32 ATOM 1069 HA ASP 65 10.511 -39.667 0.706 1.00 52.41 ATOM 1070 CB ASP 65 12.383 -39.204 1.658 1.00 53.53 ATOM 1071 HB1 ASP 65 12.711 -38.780 2.595 1.00 38.14 ATOM 1072 HB2 ASP 65 12.812 -38.633 0.848 1.00 75.54 ATOM 1073 CG ASP 65 12.913 -40.634 1.566 1.00 72.24 ATOM 1074 OD1 ASP 65 13.984 -40.838 0.959 1.00 55.43 ATOM 1075 OD2 ASP 65 12.268 -41.563 2.092 1.00 5.50 ATOM 1076 C ASP 65 10.194 -39.715 2.832 1.00 53.42 ATOM 1077 O ASP 65 10.651 -39.489 3.958 1.00 3.14 ATOM 1078 N LEU 66 9.119 -40.476 2.626 1.00 32.32 ATOM 1079 HN LEU 66 8.809 -40.610 1.706 1.00 38.14 ATOM 1080 CA LEU 66 8.378 -41.104 3.732 1.00 65.55 ATOM 1081 HA LEU 66 8.135 -40.328 4.443 1.00 33.51 ATOM 1082 CB LEU 66 7.068 -41.721 3.214 1.00 65.34 ATOM 1083 HB1 LEU 66 6.579 -42.223 4.039 1.00 38.14 ATOM 1084 HB2 LEU 66 7.315 -42.461 2.463 1.00 3.52 ATOM 1085 CG LEU 66 6.069 -40.725 2.600 1.00 42.14 ATOM 1086 HG LEU 66 6.532 -40.242 1.749 1.00 73.22 ATOM 1087 CD1 LEU 66 4.820 -41.448 2.101 1.00 61.42 ATOM 1088 HD11 LEU 66 4.327 -41.936 2.930 1.00 22.30 ATOM 1089 HD12 LEU 66 5.101 -42.188 1.365 1.00 34.23 ATOM 1090 HD13 LEU 66 4.146 -40.734 1.650 1.00 60.40 ATOM 1091 CD2 LEU 66 5.695 -39.639 3.610 1.00 55.42 ATOM 1092 HD21 LEU 66 6.585 -39.107 3.915 1.00 2.54 ATOM 1093 HD22 LEU 66 5.231 -40.092 4.475 1.00 0.52 ATOM 1094 HD23 LEU 66 5.003 -38.946 3.154 1.00 31.12 ATOM 1095 C LEU 66 9.213 -42.177 4.453 1.00 35.44 ATOM 1096 O LEU 66 9.051 -42.395 5.656 1.00 60.44 ATOM 1097 N PHE 67 10.110 -42.833 3.721 1.00 63.43 ATOM 1098 HN PHE 67 10.227 -42.587 2.780 1.00 38.14 ATOM 1099 CA PHE 67 10.952 -43.889 4.295 1.00 35.32 ATOM 1100 HA PHE 67 10.302 -44.601 4.787 1.00 45.35 ATOM 1101 CB PHE 67 11.727 -44.608 3.178 1.00 73.44 ATOM 1102 HB1 PHE 67 12.339 -43.886 2.653 1.00 38.14 ATOM 1103 HB2 PHE 67 11.020 -45.037 2.481 1.00 73.24 ATOM 1104 CG PHE 67 12.627 -45.720 3.666 1.00 44.22 ATOM 1105 CD1 PHE 67 12.098 -46.953 4.026 1.00 71.34 ATOM 1106 HD1 PHE 67 11.030 -47.114 3.958 1.00 71.14 ATOM 1107 CD2 PHE 67 14.002 -45.535 3.760 1.00 22.41 ATOM 1108 HD2 PHE 67 14.430 -44.580 3.483 1.00 43.01 ATOM 1109 CE1 PHE 67 12.918 -47.973 4.469 1.00 51.52 ATOM 1110 HE1 PHE 67 12.492 -48.926 4.746 1.00 53.02 ATOM 1111 CE2 PHE 67 14.825 -46.553 4.203 1.00 3.21 ATOM 1112 HE2 PHE 67 15.892 -46.396 4.273 1.00 52.42 ATOM 1113 CZ PHE 67 14.283 -47.773 4.557 1.00 44.15 ATOM 1114 HZ PHE 67 14.926 -48.571 4.903 1.00 1.33 ATOM 1115 C PHE 67 11.924 -43.305 5.334 1.00 34.15 ATOM 1116 O PHE 67 12.021 -43.795 6.464 1.00 4.52 ATOM 1117 N MET 68 12.626 -42.243 4.947 1.00 71.44 ATOM 1118 HN MET 68 12.523 -41.916 4.025 1.00 38.14 ATOM 1119 CA MET 68 13.549 -41.552 5.855 1.00 24.34 ATOM 1120 HA MET 68 14.222 -42.292 6.267 1.00 20.11 ATOM 1121 CB MET 68 14.369 -40.505 5.092 1.00 3.23 ATOM 1122 HB1 MET 68 14.982 -39.957 5.795 1.00 38.14 ATOM 1123 HB2 MET 68 13.690 -39.813 4.610 1.00 44.25 ATOM 1124 CG MET 68 15.278 -41.100 4.028 1.00 55.24 ATOM 1125 HG1 MET 68 15.810 -40.299 3.537 1.00 38.14 ATOM 1126 HG2 MET 68 14.665 -41.617 3.307 1.00 33.44 ATOM 1127 SD MET 68 16.482 -42.262 4.706 1.00 63.40 ATOM 1128 CE MET 68 17.358 -41.206 5.860 1.00 42.23 ATOM 1129 HE1 MET 68 17.783 -40.365 5.331 1.00 2.05 ATOM 1130 HE2 MET 68 18.148 -41.769 6.334 1.00 52.05 ATOM 1131 HE3 MET 68 16.671 -40.848 6.611 1.00 41.55 ATOM 1132 C MET 68 12.792 -40.882 7.007 1.00 62.41 ATOM 1133 O MET 68 13.200 -40.973 8.165 1.00 33.23 ATOM 1134 N LEU 69 11.686 -40.217 6.679 1.00 21.22 ATOM 1135 HN LEU 69 11.426 -40.163 5.734 1.00 38.14 ATOM 1136 CA LEU 69 10.850 -39.555 7.686 1.00 5.04 ATOM 1137 HA LEU 69 11.430 -38.751 8.122 1.00 41.23 ATOM 1138 CB LEU 69 9.593 -38.967 7.025 1.00 41.14 ATOM 1139 HB1 LEU 69 8.962 -39.786 6.708 1.00 38.14 ATOM 1140 HB2 LEU 69 9.900 -38.414 6.147 1.00 42.43 ATOM 1141 CG LEU 69 8.759 -38.034 7.918 1.00 63.31 ATOM 1142 HG LEU 69 8.495 -38.555 8.828 1.00 33.44 ATOM 1143 CD1 LEU 69 9.576 -36.807 8.306 1.00 34.43 ATOM 1144 HD11 LEU 69 8.986 -36.163 8.941 1.00 42.02 ATOM 1145 HD12 LEU 69 9.865 -36.267 7.414 1.00 12.13 ATOM 1146 HD13 LEU 69 10.462 -37.121 8.837 1.00 35.02 ATOM 1147 CD2 LEU 69 7.466 -37.628 7.215 1.00 42.11 ATOM 1148 HD21 LEU 69 6.899 -38.514 6.968 1.00 3.33 ATOM 1149 HD22 LEU 69 7.698 -37.084 6.310 1.00 11.14 ATOM 1150 HD23 LEU 69 6.881 -37.000 7.872 1.00 42.24 ATOM 1151 C LEU 69 10.447 -40.538 8.797 1.00 20.04 ATOM 1152 O LEU 69 10.541 -40.226 9.987 1.00 55.30 ATOM 1153 N TYR 70 10.013 -41.734 8.395 1.00 53.20 ATOM 1154 HN TYR 70 9.940 -41.913 7.431 1.00 38.14 ATOM 1155 CA TYR 70 9.636 -42.785 9.344 1.00 23.11 ATOM 1156 HA TYR 70 8.814 -42.414 9.939 1.00 24.03 ATOM 1157 CB TYR 70 9.172 -44.038 8.583 1.00 64.52 ATOM 1158 HB1 TYR 70 10.020 -44.471 8.068 1.00 38.14 ATOM 1159 HB2 TYR 70 8.429 -43.750 7.853 1.00 63.53 ATOM 1160 CG TYR 70 8.560 -45.112 9.467 1.00 1.23 ATOM 1161 CD1 TYR 70 7.243 -45.009 9.906 1.00 53.42 ATOM 1162 HD1 TYR 70 6.659 -44.147 9.616 1.00 31.41 ATOM 1163 CD2 TYR 70 9.291 -46.231 9.853 1.00 53.43 ATOM 1164 HD2 TYR 70 10.316 -46.329 9.524 1.00 4.41 ATOM 1165 CE1 TYR 70 6.675 -45.986 10.702 1.00 12.11 ATOM 1166 HE1 TYR 70 5.650 -45.886 11.031 1.00 34.13 ATOM 1167 CE2 TYR 70 8.729 -47.211 10.652 1.00 71.01 ATOM 1168 HE2 TYR 70 9.316 -48.070 10.943 1.00 25.22 ATOM 1169 CZ TYR 70 7.421 -47.083 11.072 1.00 72.14 ATOM 1170 OH TYR 70 6.856 -48.061 11.859 1.00 73.14 ATOM 1171 HH TYR 70 7.481 -48.329 12.537 1.00 34.13 ATOM 1172 C TYR 70 10.808 -43.131 10.279 1.00 54.45 ATOM 1173 O TYR 70 10.641 -43.230 11.496 1.00 43.24 ATOM 1174 N VAL 71 11.997 -43.300 9.700 1.00 23.05 ATOM 1175 HN VAL 71 12.068 -43.203 8.722 1.00 38.14 ATOM 1176 CA VAL 71 13.204 -43.626 10.475 1.00 21.13 ATOM 1177 HA VAL 71 13.003 -44.536 11.026 1.00 22.24 ATOM 1178 CB VAL 71 14.417 -43.887 9.543 1.00 61.32 ATOM 1179 HB VAL 71 14.594 -42.992 8.963 1.00 40.20 ATOM 1180 CG1 VAL 71 15.682 -44.182 10.354 1.00 73.52 ATOM 1181 HG11 VAL 71 16.514 -44.345 9.684 1.00 20.44 ATOM 1182 HG12 VAL 71 15.528 -45.067 10.957 1.00 23.41 ATOM 1183 HG13 VAL 71 15.900 -43.343 10.999 1.00 72.13 ATOM 1184 CG2 VAL 71 14.118 -45.030 8.573 1.00 54.13 ATOM 1185 HG21 VAL 71 13.241 -44.788 7.990 1.00 63.11 ATOM 1186 HG22 VAL 71 13.940 -45.941 9.128 1.00 53.05 ATOM 1187 HG23 VAL 71 14.960 -45.173 7.910 1.00 34.43 ATOM 1188 C VAL 71 13.566 -42.512 11.479 1.00 42.25 ATOM 1189 O VAL 71 13.662 -42.762 12.683 1.00 5.10 ATOM 1190 N LEU 72 13.744 -41.286 10.977 1.00 21.52 ATOM 1191 HN LEU 72 13.596 -41.143 10.017 1.00 38.14 ATOM 1192 CA LEU 72 14.155 -40.142 11.813 1.00 24.22 ATOM 1193 HA LEU 72 15.117 -40.389 12.242 1.00 21.01 ATOM 1194 CB LEU 72 14.318 -38.874 10.952 1.00 5.31 ATOM 1195 HB1 LEU 72 14.201 -38.011 11.594 1.00 38.14 ATOM 1196 HB2 LEU 72 13.522 -38.860 10.220 1.00 60.34 ATOM 1197 CG LEU 72 15.660 -38.732 10.205 1.00 22.31 ATOM 1198 HG LEU 72 15.641 -37.817 9.628 1.00 3.10 ATOM 1199 CD1 LEU 72 16.821 -38.628 11.192 1.00 73.33 ATOM 1200 HD11 LEU 72 17.747 -38.505 10.649 1.00 2.45 ATOM 1201 HD12 LEU 72 16.873 -39.528 11.789 1.00 15.20 ATOM 1202 HD13 LEU 72 16.669 -37.776 11.840 1.00 54.30 ATOM 1203 CD2 LEU 72 15.881 -39.889 9.233 1.00 24.11 ATOM 1204 HD21 LEU 72 15.901 -40.823 9.777 1.00 71.50 ATOM 1205 HD22 LEU 72 16.820 -39.753 8.717 1.00 50.41 ATOM 1206 HD23 LEU 72 15.077 -39.911 8.511 1.00 35.11 ATOM 1207 C LEU 72 13.174 -39.869 12.968 1.00 23.14 ATOM 1208 O LEU 72 13.574 -39.378 14.026 1.00 2.31 ATOM 1209 N VAL 73 11.896 -40.177 12.763 1.00 3.21 ATOM 1210 HN VAL 73 11.623 -40.515 11.882 1.00 38.14 ATOM 1211 CA VAL 73 10.879 -40.003 13.810 1.00 63.21 ATOM 1212 HA VAL 73 11.114 -39.092 14.348 1.00 53.21 ATOM 1213 CB VAL 73 9.465 -39.842 13.191 1.00 53.30 ATOM 1214 HB VAL 73 9.284 -40.684 12.538 1.00 3.54 ATOM 1215 CG1 VAL 73 8.376 -39.834 14.266 1.00 34.15 ATOM 1216 HG11 VAL 73 8.549 -39.018 14.952 1.00 54.25 ATOM 1217 HG12 VAL 73 8.395 -40.769 14.808 1.00 32.05 ATOM 1218 HG13 VAL 73 7.408 -39.712 13.800 1.00 34.15 ATOM 1219 CG2 VAL 73 9.400 -38.567 12.351 1.00 21.51 ATOM 1220 HG21 VAL 73 8.413 -38.464 11.922 1.00 32.11 ATOM 1221 HG22 VAL 73 10.132 -38.621 11.557 1.00 25.42 ATOM 1222 HG23 VAL 73 9.612 -37.711 12.975 1.00 62.34 ATOM 1223 C VAL 73 10.881 -41.171 14.814 1.00 52.35 ATOM 1224 O VAL 73 10.996 -40.960 16.025 1.00 74.11 ATOM 1225 N THR 74 10.774 -42.402 14.311 1.00 54.24 ATOM 1226 HN THR 74 10.745 -42.520 13.338 1.00 38.14 ATOM 1227 CA THR 74 10.705 -43.592 15.182 1.00 65.44 ATOM 1228 HA THR 74 9.839 -43.472 15.822 1.00 11.00 ATOM 1229 CB THR 74 10.523 -44.900 14.374 1.00 22.01 ATOM 1230 HB THR 74 10.590 -45.738 15.055 1.00 41.21 ATOM 1231 OG1 THR 74 11.560 -45.021 13.386 1.00 23.21 ATOM 1232 HG1 THR 74 11.224 -44.712 12.535 1.00 71.42 ATOM 1233 CG2 THR 74 9.157 -44.939 13.695 1.00 63.15 ATOM 1234 HG21 THR 74 9.064 -44.098 13.023 1.00 53.14 ATOM 1235 HG22 THR 74 8.379 -44.890 14.444 1.00 43.22 ATOM 1236 HG23 THR 74 9.060 -45.858 13.135 1.00 34.43 ATOM 1237 C THR 74 11.948 -43.733 16.074 1.00 51.21 ATOM 1238 O THR 74 11.834 -44.071 17.252 1.00 63.30 ATOM 1239 N GLU 75 13.129 -43.453 15.520 1.00 52.52 ATOM 1240 HN GLU 75 13.161 -43.181 14.577 1.00 38.14 ATOM 1241 CA GLU 75 14.388 -43.553 16.282 1.00 35.14 ATOM 1242 HA GLU 75 14.517 -44.589 16.565 1.00 34.23 ATOM 1243 CB GLU 75 15.582 -43.123 15.415 1.00 24.44 ATOM 1244 HB1 GLU 75 15.612 -43.748 14.533 1.00 38.14 ATOM 1245 HB2 GLU 75 16.493 -43.270 15.978 1.00 61.11 ATOM 1246 CG GLU 75 15.523 -41.666 14.966 1.00 4.54 ATOM 1247 HG1 GLU 75 15.337 -41.047 15.832 1.00 38.14 ATOM 1248 HG2 GLU 75 14.705 -41.554 14.269 1.00 42.03 ATOM 1249 CD GLU 75 16.798 -41.188 14.290 1.00 74.15 ATOM 1250 OE1 GLU 75 17.079 -41.628 13.160 1.00 14.11 ATOM 1251 OE2 GLU 75 17.515 -40.353 14.890 1.00 53.10 ATOM 1252 C GLU 75 14.353 -42.694 17.560 1.00 23.32 ATOM 1253 O GLU 75 14.944 -43.054 18.580 1.00 25.14 ATOM 1254 N LYS 76 13.651 -41.560 17.496 1.00 45.31 ATOM 1255 HN LYS 76 13.179 -41.340 16.665 1.00 38.14 ATOM 1256 CA LYS 76 13.561 -40.637 18.633 1.00 4.41 ATOM 1257 HA LYS 76 14.564 -40.455 18.994 1.00 72.53 ATOM 1258 CB LYS 76 12.946 -39.302 18.184 1.00 14.24 ATOM 1259 HB1 LYS 76 12.923 -38.628 19.027 1.00 38.14 ATOM 1260 HB2 LYS 76 11.930 -39.483 17.860 1.00 71.33 ATOM 1261 CG LYS 76 13.690 -38.610 17.040 1.00 72.53 ATOM 1262 HG1 LYS 76 13.183 -37.682 16.809 1.00 38.14 ATOM 1263 HG2 LYS 76 13.669 -39.253 16.172 1.00 2.03 ATOM 1264 CD LYS 76 15.149 -38.304 17.389 1.00 72.34 ATOM 1265 HD1 LYS 76 15.687 -39.236 17.492 1.00 38.14 ATOM 1266 HD2 LYS 76 15.181 -37.766 18.326 1.00 12.35 ATOM 1267 CE LYS 76 15.827 -37.457 16.311 1.00 32.03 ATOM 1268 HE1 LYS 76 16.856 -37.285 16.597 1.00 38.14 ATOM 1269 HE2 LYS 76 15.317 -36.505 16.240 1.00 34.21 ATOM 1270 NZ LYS 76 15.800 -38.116 14.977 1.00 53.22 ATOM 1271 HZ1 LYS 76 14.828 -38.383 14.727 1.00 22.10 ATOM 1272 HZ2 LYS 76 16.392 -38.969 14.985 1.00 1.10 ATOM 1273 HZ3 LYS 76 16.164 -37.462 14.249 1.00 53.31 ATOM 1274 C LYS 76 12.726 -41.234 19.779 1.00 53.22 ATOM 1275 O LYS 76 12.899 -40.864 20.941 1.00 23.51 ATOM 1276 N GLY 77 11.840 -42.174 19.445 1.00 12.15 ATOM 1277 HN GLY 77 11.797 -42.478 18.515 1.00 38.14 ATOM 1278 CA GLY 77 10.961 -42.780 20.445 1.00 23.02 ATOM 1279 HA1 GLY 77 11.108 -42.281 21.393 1.00 38.14 ATOM 1280 HA2 GLY 77 11.234 -43.819 20.558 1.00 11.51 ATOM 1281 C GLY 77 9.481 -42.706 20.076 1.00 30.31 ATOM 1282 O GLY 77 8.614 -42.817 20.943 1.00 52.14 ATOM 1283 N GLY 78 9.189 -42.514 18.790 1.00 33.15 ATOM 1284 HN GLY 78 9.916 -42.392 18.149 1.00 38.14 ATOM 1285 CA GLY 78 7.803 -42.481 18.325 1.00 42.24 ATOM 1286 HA1 GLY 78 7.158 -42.840 19.116 1.00 38.14 ATOM 1287 HA2 GLY 78 7.711 -43.147 17.479 1.00 50.10 ATOM 1288 C GLY 78 7.331 -41.092 17.903 1.00 54.13 ATOM 1289 O GLY 78 7.974 -40.084 18.204 1.00 3.54 ATOM 1290 N LEU 79 6.192 -41.045 17.208 1.00 2.11 ATOM 1291 HN LEU 79 5.733 -41.887 17.005 1.00 38.14 ATOM 1292 CA LEU 79 5.611 -39.783 16.726 1.00 63.52 ATOM 1293 HA LEU 79 6.320 -39.338 16.039 1.00 72.20 ATOM 1294 CB LEU 79 4.301 -40.065 15.966 1.00 3.22 ATOM 1295 HB1 LEU 79 3.643 -40.618 16.623 1.00 38.14 ATOM 1296 HB2 LEU 79 4.534 -40.690 15.115 1.00 3.12 ATOM 1297 CG LEU 79 3.539 -38.825 15.460 1.00 53.54 ATOM 1298 HG LEU 79 3.286 -38.200 16.305 1.00 20.24 ATOM 1299 CD1 LEU 79 4.402 -37.995 14.511 1.00 12.12 ATOM 1300 HD11 LEU 79 3.833 -37.146 14.159 1.00 44.10 ATOM 1301 HD12 LEU 79 4.702 -38.601 13.668 1.00 21.22 ATOM 1302 HD13 LEU 79 5.279 -37.646 15.035 1.00 65.42 ATOM 1303 CD2 LEU 79 2.236 -39.236 14.777 1.00 75.51 ATOM 1304 HD21 LEU 79 1.716 -38.353 14.433 1.00 34.03 ATOM 1305 HD22 LEU 79 1.612 -39.765 15.482 1.00 40.01 ATOM 1306 HD23 LEU 79 2.454 -39.878 13.936 1.00 72.12 ATOM 1307 C LEU 79 5.352 -38.789 17.872 1.00 0.03 ATOM 1308 O LEU 79 5.777 -37.633 17.811 1.00 20.13 ATOM 1309 N VAL 80 4.662 -39.245 18.916 1.00 24.33 ATOM 1310 HN VAL 80 4.391 -40.189 18.933 1.00 38.14 ATOM 1311 CA VAL 80 4.309 -38.380 20.050 1.00 5.12 ATOM 1312 HA VAL 80 3.763 -37.532 19.655 1.00 54.13 ATOM 1313 CB VAL 80 3.387 -39.120 21.046 1.00 41.30 ATOM 1314 HB VAL 80 3.902 -40.003 21.397 1.00 20.12 ATOM 1315 CG1 VAL 80 3.059 -38.245 22.256 1.00 4.34 ATOM 1316 HG11 VAL 80 2.552 -37.350 21.928 1.00 73.13 ATOM 1317 HG12 VAL 80 3.973 -37.974 22.765 1.00 32.11 ATOM 1318 HG13 VAL 80 2.420 -38.792 22.935 1.00 14.31 ATOM 1319 CG2 VAL 80 2.113 -39.565 20.338 1.00 22.12 ATOM 1320 HG21 VAL 80 2.367 -40.218 19.514 1.00 22.20 ATOM 1321 HG22 VAL 80 1.589 -38.700 19.959 1.00 31.45 ATOM 1322 HG23 VAL 80 1.477 -40.095 21.031 1.00 63.32 ATOM 1323 C VAL 80 5.556 -37.862 20.780 1.00 31.31 ATOM 1324 O VAL 80 5.622 -36.689 21.161 1.00 34.24 ATOM 1325 N GLU 81 6.545 -38.737 20.963 1.00 64.24 ATOM 1326 HN GLU 81 6.402 -39.672 20.709 1.00 38.14 ATOM 1327 CA GLU 81 7.834 -38.340 21.540 1.00 53.41 ATOM 1328 HA GLU 81 7.662 -38.051 22.568 1.00 24.14 ATOM 1329 CB GLU 81 8.822 -39.519 21.508 1.00 54.40 ATOM 1330 HB1 GLU 81 8.897 -39.881 20.492 1.00 38.14 ATOM 1331 HB2 GLU 81 8.433 -40.313 22.130 1.00 62.34 ATOM 1332 CG GLU 81 10.232 -39.176 21.998 1.00 53.12 ATOM 1333 HG1 GLU 81 10.586 -38.313 21.452 1.00 38.14 ATOM 1334 HG2 GLU 81 10.882 -40.015 21.789 1.00 60.32 ATOM 1335 CD GLU 81 10.300 -38.871 23.489 1.00 63.04 ATOM 1336 OE1 GLU 81 9.929 -37.747 23.896 1.00 14.20 ATOM 1337 OE2 GLU 81 10.746 -39.746 24.263 1.00 33.24 ATOM 1338 C GLU 81 8.422 -37.143 20.777 1.00 4.41 ATOM 1339 O GLU 81 8.785 -36.131 21.372 1.00 62.43 ATOM 1340 N VAL 82 8.484 -37.262 19.450 1.00 12.33 ATOM 1341 HN VAL 82 8.184 -38.101 19.037 1.00 38.14 ATOM 1342 CA VAL 82 8.982 -36.183 18.587 1.00 31.14 ATOM 1343 HA VAL 82 10.014 -35.997 18.857 1.00 22.22 ATOM 1344 CB VAL 82 8.941 -36.610 17.095 1.00 10.11 ATOM 1345 HB VAL 82 7.931 -36.916 16.858 1.00 31.21 ATOM 1346 CG1 VAL 82 9.313 -35.454 16.168 1.00 30.54 ATOM 1347 HG11 VAL 82 9.286 -35.791 15.141 1.00 63.53 ATOM 1348 HG12 VAL 82 10.306 -35.105 16.404 1.00 22.13 ATOM 1349 HG13 VAL 82 8.608 -34.645 16.297 1.00 14.34 ATOM 1350 CG2 VAL 82 9.864 -37.804 16.861 1.00 21.11 ATOM 1351 HG21 VAL 82 9.519 -38.647 17.442 1.00 3.52 ATOM 1352 HG22 VAL 82 10.869 -37.548 17.162 1.00 5.42 ATOM 1353 HG23 VAL 82 9.861 -38.065 15.811 1.00 71.52 ATOM 1354 C VAL 82 8.179 -34.881 18.781 1.00 52.04 ATOM 1355 O VAL 82 8.749 -33.785 18.827 1.00 40.22 ATOM 1356 N ILE 83 6.860 -35.010 18.914 1.00 13.24 ATOM 1357 HN ILE 83 6.463 -35.906 18.858 1.00 38.14 ATOM 1358 CA ILE 83 5.983 -33.854 19.143 1.00 1.43 ATOM 1359 HA ILE 83 6.155 -33.146 18.343 1.00 43.24 ATOM 1360 CB ILE 83 4.486 -34.269 19.112 1.00 34.34 ATOM 1361 HB ILE 83 4.319 -34.985 19.905 1.00 61.11 ATOM 1362 CG1 ILE 83 4.138 -34.927 17.765 1.00 22.42 ATOM 1363 HG11 ILE 83 4.818 -35.749 17.587 1.00 38.14 ATOM 1364 HG12 ILE 83 4.249 -34.199 16.974 1.00 20.12 ATOM 1365 CG2 ILE 83 3.578 -33.063 19.370 1.00 54.10 ATOM 1366 HG21 ILE 83 3.733 -32.321 18.599 1.00 54.15 ATOM 1367 HG22 ILE 83 3.812 -32.633 20.333 1.00 12.13 ATOM 1368 HG23 ILE 83 2.544 -33.379 19.361 1.00 54.35 ATOM 1369 CD1 ILE 83 2.724 -35.470 17.695 1.00 32.11 ATOM 1370 HD11 ILE 83 2.586 -36.218 18.461 1.00 1.22 ATOM 1371 HD12 ILE 83 2.558 -35.915 16.724 1.00 13.33 ATOM 1372 HD13 ILE 83 2.019 -34.664 17.846 1.00 31.33 ATOM 1373 C ILE 83 6.298 -33.169 20.487 1.00 54.35 ATOM 1374 O ILE 83 6.320 -31.942 20.581 1.00 22.11 ATOM 1375 N ASN 84 6.546 -33.971 21.521 1.00 33.45 ATOM 1376 HN ASN 84 6.482 -34.944 21.395 1.00 38.14 ATOM 1377 CA ASN 84 6.897 -33.444 22.848 1.00 65.00 ATOM 1378 HA ASN 84 6.249 -32.600 23.046 1.00 53.14 ATOM 1379 CB ASN 84 6.652 -34.514 23.918 1.00 5.12 ATOM 1380 HB1 ASN 84 7.008 -34.152 24.872 1.00 38.14 ATOM 1381 HB2 ASN 84 7.193 -35.411 23.653 1.00 15.15 ATOM 1382 CG ASN 84 5.179 -34.862 24.056 1.00 24.24 ATOM 1383 OD1 ASN 84 4.307 -34.022 23.863 1.00 62.14 ATOM 1384 ND2 ASN 84 4.888 -36.101 24.393 1.00 33.32 ATOM 1385 HD21 ASN 84 5.627 -36.730 24.540 1.00 11.22 ATOM 1386 HD22 ASN 84 3.945 -36.346 24.473 1.00 21.21 ATOM 1387 C ASN 84 8.359 -32.958 22.902 1.00 54.12 ATOM 1388 O ASN 84 8.700 -32.064 23.678 1.00 45.13 ATOM 1389 N LYS 85 9.219 -33.553 22.075 1.00 52.22 ATOM 1390 HN LYS 85 8.904 -34.301 21.524 1.00 38.14 ATOM 1391 CA LYS 85 10.626 -33.132 21.973 1.00 63.10 ATOM 1392 HA LYS 85 11.001 -32.973 22.973 1.00 54.41 ATOM 1393 CB LYS 85 11.458 -34.230 21.291 1.00 62.23 ATOM 1394 HB1 LYS 85 12.411 -33.810 21.002 1.00 38.14 ATOM 1395 HB2 LYS 85 10.935 -34.542 20.400 1.00 43.41 ATOM 1396 CG LYS 85 11.727 -35.482 22.131 1.00 4.23 ATOM 1397 HG1 LYS 85 12.059 -36.274 21.472 1.00 38.14 ATOM 1398 HG2 LYS 85 10.807 -35.783 22.611 1.00 61.11 ATOM 1399 CD LYS 85 12.794 -35.256 23.206 1.00 54.03 ATOM 1400 HD1 LYS 85 13.499 -34.516 22.851 1.00 38.14 ATOM 1401 HD2 LYS 85 13.314 -36.187 23.380 1.00 65.23 ATOM 1402 CE LYS 85 12.202 -34.781 24.525 1.00 64.34 ATOM 1403 HE1 LYS 85 11.615 -33.893 24.346 1.00 38.14 ATOM 1404 HE2 LYS 85 13.009 -34.544 25.201 1.00 63.53 ATOM 1405 NZ LYS 85 11.335 -35.817 25.147 1.00 13.15 ATOM 1406 HZ1 LYS 85 10.614 -36.140 24.468 1.00 12.52 ATOM 1407 HZ2 LYS 85 10.854 -35.428 25.982 1.00 12.35 ATOM 1408 HZ3 LYS 85 11.906 -36.637 25.442 1.00 21.23 ATOM 1409 C LYS 85 10.770 -31.824 21.174 1.00 24.11 ATOM 1410 O LYS 85 11.805 -31.161 21.241 1.00 41.24 ATOM 1411 N LYS 86 9.728 -31.475 20.411 1.00 61.52 ATOM 1412 HN LYS 86 8.951 -32.072 20.380 1.00 38.14 ATOM 1413 CA LYS 86 9.699 -30.235 19.611 1.00 31.33 ATOM 1414 HA LYS 86 8.763 -30.219 19.071 1.00 43.54 ATOM 1415 CB LYS 86 9.761 -29.000 20.534 1.00 10.15 ATOM 1416 HB1 LYS 86 9.536 -28.117 19.950 1.00 38.14 ATOM 1417 HB2 LYS 86 10.765 -28.910 20.925 1.00 62.12 ATOM 1418 CG LYS 86 8.794 -29.048 21.718 1.00 4.12 ATOM 1419 HG1 LYS 86 8.958 -28.173 22.333 1.00 38.14 ATOM 1420 HG2 LYS 86 9.001 -29.936 22.299 1.00 43.41 ATOM 1421 CD LYS 86 7.331 -29.078 21.283 1.00 45.51 ATOM 1422 HD1 LYS 86 7.193 -29.877 20.567 1.00 38.14 ATOM 1423 HD2 LYS 86 7.084 -28.132 20.820 1.00 30.22 ATOM 1424 CE LYS 86 6.397 -29.308 22.469 1.00 32.33 ATOM 1425 HE1 LYS 86 6.660 -30.243 22.942 1.00 38.14 ATOM 1426 HE2 LYS 86 5.381 -29.366 22.105 1.00 53.51 ATOM 1427 NZ LYS 86 6.481 -28.217 23.477 1.00 34.32 ATOM 1428 HZ1 LYS 86 6.015 -27.358 23.114 1.00 62.34 ATOM 1429 HZ2 LYS 86 7.474 -27.995 23.687 1.00 52.54 ATOM 1430 HZ3 LYS 86 6.011 -28.505 24.358 1.00 70.05 ATOM 1431 C LYS 86 10.855 -30.177 18.587 1.00 1.30 ATOM 1432 O LYS 86 11.099 -29.140 17.971 1.00 42.20 ATOM 1433 N LEU 87 11.537 -31.304 18.373 1.00 52.03 ATOM 1434 HN LEU 87 11.200 -32.141 18.750 1.00 38.14 ATOM 1435 CA LEU 87 12.784 -31.315 17.590 1.00 21.24 ATOM 1436 HA LEU 87 13.250 -30.348 17.723 1.00 34.32 ATOM 1437 CB LEU 87 13.747 -32.391 18.145 1.00 53.44 ATOM 1438 HB1 LEU 87 13.641 -32.402 19.222 1.00 38.14 ATOM 1439 HB2 LEU 87 14.758 -32.085 17.916 1.00 30.14 ATOM 1440 CG LEU 87 13.563 -33.837 17.637 1.00 13.42 ATOM 1441 HG LEU 87 13.784 -33.866 16.578 1.00 54.15 ATOM 1442 CD1 LEU 87 14.543 -34.773 18.337 1.00 73.30 ATOM 1443 HD11 LEU 87 14.399 -35.781 17.977 1.00 53.23 ATOM 1444 HD12 LEU 87 14.373 -34.744 19.403 1.00 61.33 ATOM 1445 HD13 LEU 87 15.554 -34.457 18.125 1.00 23.22 ATOM 1446 CD2 LEU 87 12.132 -34.324 17.829 1.00 3.42 ATOM 1447 HD21 LEU 87 11.457 -33.691 17.272 1.00 41.42 ATOM 1448 HD22 LEU 87 11.876 -34.287 18.873 1.00 21.32 ATOM 1449 HD23 LEU 87 12.046 -35.341 17.473 1.00 32.01 ATOM 1450 C LEU 87 12.536 -31.512 16.077 1.00 43.15 ATOM 1451 O LEU 87 13.426 -31.950 15.347 1.00 1.51 ATOM 1452 N TRP 88 11.342 -31.143 15.599 1.00 42.50 ATOM 1453 HN TRP 88 10.665 -30.804 16.221 1.00 38.14 ATOM 1454 CA TRP 88 11.021 -31.231 14.161 1.00 14.22 ATOM 1455 HA TRP 88 11.059 -32.277 13.885 1.00 72.32 ATOM 1456 CB TRP 88 9.607 -30.698 13.880 1.00 43.53 ATOM 1457 HB1 TRP 88 9.468 -30.613 12.811 1.00 38.14 ATOM 1458 HB2 TRP 88 9.502 -29.720 14.327 1.00 23.43 ATOM 1459 CG TRP 88 8.508 -31.573 14.418 1.00 71.04 ATOM 1460 CD1 TRP 88 7.722 -31.335 15.511 1.00 51.11 ATOM 1461 HD1 TRP 88 7.803 -30.461 16.140 1.00 44.15 ATOM 1462 CD2 TRP 88 8.069 -32.826 13.877 1.00 41.04 ATOM 1463 NE1 TRP 88 6.828 -32.364 15.683 1.00 1.04 ATOM 1464 HE1 TRP 88 6.163 -32.424 16.397 1.00 21.54 ATOM 1465 CE2 TRP 88 7.019 -33.290 14.692 1.00 60.21 ATOM 1466 CE3 TRP 88 8.463 -33.600 12.782 1.00 52.33 ATOM 1467 HE3 TRP 88 9.266 -33.282 12.133 1.00 73.01 ATOM 1468 CZ2 TRP 88 6.359 -34.491 14.444 1.00 61.11 ATOM 1469 HZ2 TRP 88 5.552 -34.841 15.072 1.00 63.31 ATOM 1470 CZ3 TRP 88 7.808 -34.792 12.537 1.00 75.13 ATOM 1471 HZ3 TRP 88 8.099 -35.403 11.694 1.00 13.40 ATOM 1472 CH2 TRP 88 6.765 -35.228 13.365 1.00 10.45 ATOM 1473 HH2 TRP 88 6.281 -36.167 13.135 1.00 4.31 ATOM 1474 C TRP 88 12.052 -30.469 13.305 1.00 34.45 ATOM 1475 O TRP 88 12.242 -30.767 12.123 1.00 61.13 ATOM 1476 N ARG 89 12.709 -29.482 13.912 1.00 73.45 ATOM 1477 HN ARG 89 12.437 -29.221 14.817 1.00 38.14 ATOM 1478 CA ARG 89 13.810 -28.756 13.265 1.00 13.52 ATOM 1479 HA ARG 89 13.415 -28.290 12.372 1.00 74.24 ATOM 1480 CB ARG 89 14.326 -27.657 14.210 1.00 43.31 ATOM 1481 HB1 ARG 89 13.548 -26.918 14.338 1.00 38.14 ATOM 1482 HB2 ARG 89 15.186 -27.183 13.758 1.00 74.00 ATOM 1483 CG ARG 89 14.730 -28.168 15.596 1.00 33.50 ATOM 1484 HG1 ARG 89 15.616 -28.781 15.497 1.00 38.14 ATOM 1485 HG2 ARG 89 13.925 -28.765 15.997 1.00 11.04 ATOM 1486 CD ARG 89 15.026 -27.028 16.568 1.00 21.53 ATOM 1487 HD1 ARG 89 15.239 -27.450 17.540 1.00 38.14 ATOM 1488 HD2 ARG 89 14.152 -26.396 16.638 1.00 51.13 ATOM 1489 NE ARG 89 16.163 -26.215 16.146 1.00 65.31 ATOM 1490 HE ARG 89 16.562 -26.410 15.276 1.00 63.30 ATOM 1491 CZ ARG 89 16.679 -25.250 16.858 1.00 52.40 ATOM 1492 NH1 ARG 89 16.180 -24.938 18.011 1.00 21.24 ATOM 1493 HH11 ARG 89 15.390 -25.435 18.363 1.00 10.22 ATOM 1494 HH12 ARG 89 16.584 -24.198 18.548 1.00 51.22 ATOM 1495 NH2 ARG 89 17.691 -24.589 16.404 1.00 43.04 ATOM 1496 HH21 ARG 89 18.071 -24.815 15.512 1.00 40.02 ATOM 1497 HH22 ARG 89 18.092 -23.853 16.948 1.00 41.44 ATOM 1498 C ARG 89 14.957 -29.704 12.857 1.00 64.00 ATOM 1499 O ARG 89 15.570 -29.533 11.800 1.00 14.34 ATOM 1500 N GLU 90 15.238 -30.705 13.694 1.00 3.30 ATOM 1501 HN GLU 90 14.732 -30.786 14.527 1.00 38.14 ATOM 1502 CA GLU 90 16.281 -31.695 13.394 1.00 53.22 ATOM 1503 HA GLU 90 17.143 -31.155 13.024 1.00 32.45 ATOM 1504 CB GLU 90 16.686 -32.460 14.683 1.00 2.42 ATOM 1505 HB1 GLU 90 16.412 -31.859 15.540 1.00 38.14 ATOM 1506 HB2 GLU 90 17.758 -32.585 14.687 1.00 1.13 ATOM 1507 CG GLU 90 16.057 -33.845 14.865 1.00 63.21 ATOM 1508 HG1 GLU 90 15.047 -33.822 14.478 1.00 38.14 ATOM 1509 HG2 GLU 90 16.026 -34.075 15.921 1.00 63.53 ATOM 1510 CD GLU 90 16.830 -34.952 14.155 1.00 52.33 ATOM 1511 OE1 GLU 90 16.196 -35.847 13.565 1.00 52.44 ATOM 1512 OE2 GLU 90 18.079 -34.933 14.205 1.00 35.32 ATOM 1513 C GLU 90 15.800 -32.656 12.293 1.00 54.10 ATOM 1514 O GLU 90 16.573 -33.062 11.428 1.00 73.54 ATOM 1515 N ILE 91 14.506 -32.995 12.330 1.00 61.12 ATOM 1516 HN ILE 91 13.948 -32.639 13.052 1.00 38.14 ATOM 1517 CA ILE 91 13.896 -33.889 11.333 1.00 23.45 ATOM 1518 HA ILE 91 14.413 -34.840 11.376 1.00 41.01 ATOM 1519 CB ILE 91 12.393 -34.137 11.645 1.00 42.22 ATOM 1520 HB ILE 91 11.874 -33.190 11.569 1.00 15.54 ATOM 1521 CG1 ILE 91 12.216 -34.687 13.073 1.00 40.41 ATOM 1522 HG11 ILE 91 11.160 -34.805 13.278 1.00 38.14 ATOM 1523 HG12 ILE 91 12.633 -33.981 13.775 1.00 3.32 ATOM 1524 CG2 ILE 91 11.776 -35.090 10.620 1.00 21.01 ATOM 1525 HG21 ILE 91 12.315 -36.026 10.627 1.00 23.21 ATOM 1526 HG22 ILE 91 11.837 -34.649 9.635 1.00 44.20 ATOM 1527 HG23 ILE 91 10.740 -35.271 10.867 1.00 41.21 ATOM 1528 CD1 ILE 91 12.888 -36.025 13.318 1.00 74.10 ATOM 1529 HD11 ILE 91 13.950 -35.936 13.138 1.00 35.03 ATOM 1530 HD12 ILE 91 12.471 -36.767 12.653 1.00 71.12 ATOM 1531 HD13 ILE 91 12.721 -36.327 14.341 1.00 12.11 ATOM 1532 C ILE 91 14.031 -33.311 9.914 1.00 32.12 ATOM 1533 O ILE 91 14.480 -33.994 8.991 1.00 45.44 ATOM 1534 N THR 92 13.649 -32.043 9.750 1.00 3.44 ATOM 1535 HN THR 92 13.265 -31.561 10.512 1.00 38.14 ATOM 1536 CA THR 92 13.792 -31.350 8.459 1.00 75.34 ATOM 1537 HA THR 92 13.188 -31.880 7.733 1.00 53.23 ATOM 1538 CB THR 92 13.294 -29.884 8.524 1.00 4.14 ATOM 1539 HB THR 92 13.647 -29.363 7.644 1.00 72.34 ATOM 1540 OG1 THR 92 13.826 -29.230 9.684 1.00 73.01 ATOM 1541 HG1 THR 92 13.159 -29.217 10.378 1.00 64.13 ATOM 1542 CG2 THR 92 11.772 -29.814 8.539 1.00 0.22 ATOM 1543 HG21 THR 92 11.392 -30.360 9.390 1.00 12.24 ATOM 1544 HG22 THR 92 11.383 -30.248 7.628 1.00 4.14 ATOM 1545 HG23 THR 92 11.459 -28.782 8.606 1.00 2.12 ATOM 1546 C THR 92 15.246 -31.347 7.979 1.00 51.14 ATOM 1547 O THR 92 15.538 -31.754 6.852 1.00 12.03 ATOM 1548 N LYS 93 16.155 -30.890 8.834 1.00 11.51 ATOM 1549 HN LYS 93 15.865 -30.580 9.723 1.00 38.14 ATOM 1550 CA LYS 93 17.575 -30.827 8.480 1.00 44.21 ATOM 1551 HA LYS 93 17.660 -30.234 7.580 1.00 41.53 ATOM 1552 CB LYS 93 18.375 -30.146 9.601 1.00 1.24 ATOM 1553 HB1 LYS 93 18.517 -30.852 10.409 1.00 38.14 ATOM 1554 HB2 LYS 93 17.810 -29.301 9.971 1.00 23.43 ATOM 1555 CG LYS 93 19.746 -29.647 9.153 1.00 33.40 ATOM 1556 HG1 LYS 93 20.293 -30.468 8.709 1.00 38.14 ATOM 1557 HG2 LYS 93 20.286 -29.280 10.014 1.00 41.33 ATOM 1558 CD LYS 93 19.626 -28.518 8.127 1.00 51.34 ATOM 1559 HD1 LYS 93 19.167 -27.663 8.603 1.00 38.14 ATOM 1560 HD2 LYS 93 19.002 -28.851 7.310 1.00 64.41 ATOM 1561 CE LYS 93 20.983 -28.104 7.569 1.00 23.53 ATOM 1562 HE1 LYS 93 20.840 -27.288 6.874 1.00 38.14 ATOM 1563 HE2 LYS 93 21.417 -28.945 7.047 1.00 13.03 ATOM 1564 NZ LYS 93 21.923 -27.667 8.637 1.00 15.34 ATOM 1565 HZ1 LYS 93 21.504 -26.897 9.194 1.00 1.03 ATOM 1566 HZ2 LYS 93 22.810 -27.325 8.212 1.00 63.42 ATOM 1567 HZ3 LYS 93 22.145 -28.463 9.271 1.00 71.32 ATOM 1568 C LYS 93 18.144 -32.232 8.194 1.00 22.14 ATOM 1569 O LYS 93 19.015 -32.397 7.335 1.00 63.32 ATOM 1570 N GLY 94 17.629 -33.238 8.905 1.00 24.31 ATOM 1571 HN GLY 94 16.951 -33.042 9.586 1.00 38.14 ATOM 1572 CA GLY 94 18.059 -34.621 8.697 1.00 21.11 ATOM 1573 HA1 GLY 94 17.640 -35.235 9.481 1.00 38.14 ATOM 1574 HA2 GLY 94 19.137 -34.663 8.764 1.00 54.23 ATOM 1575 C GLY 94 17.628 -35.188 7.348 1.00 63.22 ATOM 1576 O GLY 94 18.222 -36.148 6.847 1.00 72.30 ATOM 1577 N LEU 95 16.582 -34.605 6.762 1.00 31.03 ATOM 1578 HN LEU 95 16.095 -33.904 7.247 1.00 38.14 ATOM 1579 CA LEU 95 16.130 -34.987 5.421 1.00 74.20 ATOM 1580 HA LEU 95 16.475 -35.993 5.222 1.00 53.21 ATOM 1581 CB LEU 95 14.596 -34.959 5.350 1.00 54.23 ATOM 1582 HB1 LEU 95 14.296 -35.310 4.372 1.00 38.14 ATOM 1583 HB2 LEU 95 14.273 -33.932 5.457 1.00 22.04 ATOM 1584 CG LEU 95 13.866 -35.804 6.409 1.00 70.03 ATOM 1585 HG LEU 95 14.065 -35.386 7.385 1.00 3.53 ATOM 1586 CD1 LEU 95 12.357 -35.759 6.188 1.00 10.43 ATOM 1587 HD11 LEU 95 12.013 -34.737 6.254 1.00 1.44 ATOM 1588 HD12 LEU 95 11.865 -36.351 6.945 1.00 74.00 ATOM 1589 HD13 LEU 95 12.121 -36.156 5.211 1.00 65.44 ATOM 1590 CD2 LEU 95 14.370 -37.245 6.404 1.00 13.24 ATOM 1591 HD21 LEU 95 13.833 -37.818 7.148 1.00 61.14 ATOM 1592 HD22 LEU 95 15.425 -37.258 6.635 1.00 0.23 ATOM 1593 HD23 LEU 95 14.209 -37.683 5.429 1.00 44.12 ATOM 1594 C LEU 95 16.718 -34.042 4.360 1.00 54.32 ATOM 1595 O LEU 95 16.364 -34.119 3.182 1.00 34.33 ATOM 1596 N ASN 96 17.624 -33.158 4.799 1.00 62.13 ATOM 1597 HN ASN 96 17.886 -33.188 5.744 1.00 38.14 ATOM 1598 CA ASN 96 18.258 -32.155 3.927 1.00 54.15 ATOM 1599 HA ASN 96 18.998 -31.640 4.521 1.00 75.30 ATOM 1600 CB ASN 96 18.966 -32.847 2.747 1.00 2.22 ATOM 1601 HB1 ASN 96 18.221 -33.213 2.054 1.00 38.14 ATOM 1602 HB2 ASN 96 19.535 -33.685 3.123 1.00 10.24 ATOM 1603 CG ASN 96 19.920 -31.934 1.987 1.00 33.44 ATOM 1604 OD1 ASN 96 20.088 -32.065 0.777 1.00 52.52 ATOM 1605 ND2 ASN 96 20.576 -31.024 2.685 1.00 50.11 ATOM 1606 HD21 ASN 96 20.427 -30.978 3.654 1.00 35.10 ATOM 1607 HD22 ASN 96 21.186 -30.430 2.202 1.00 64.04 ATOM 1608 C ASN 96 17.233 -31.113 3.431 1.00 14.14 ATOM 1609 O ASN 96 17.446 -30.432 2.424 1.00 21.54 ATOM 1610 N LEU 97 16.133 -30.969 4.170 1.00 21.43 ATOM 1611 HN LEU 97 16.030 -31.519 4.974 1.00 38.14 ATOM 1612 CA LEU 97 15.078 -30.007 3.824 1.00 64.50 ATOM 1613 HA LEU 97 15.017 -29.954 2.746 1.00 2.03 ATOM 1614 CB LEU 97 13.721 -30.479 4.379 1.00 34.11 ATOM 1615 HB1 LEU 97 12.968 -29.767 4.073 1.00 38.14 ATOM 1616 HB2 LEU 97 13.776 -30.472 5.460 1.00 12.44 ATOM 1617 CG LEU 97 13.271 -31.877 3.928 1.00 31.43 ATOM 1618 HG LEU 97 13.975 -32.607 4.302 1.00 62.14 ATOM 1619 CD1 LEU 97 11.899 -32.218 4.508 1.00 71.40 ATOM 1620 HD11 LEU 97 11.624 -33.224 4.221 1.00 35.21 ATOM 1621 HD12 LEU 97 11.161 -31.524 4.131 1.00 54.02 ATOM 1622 HD13 LEU 97 11.935 -32.152 5.586 1.00 10.20 ATOM 1623 CD2 LEU 97 13.259 -31.978 2.404 1.00 50.43 ATOM 1624 HD21 LEU 97 14.256 -31.805 2.024 1.00 62.05 ATOM 1625 HD22 LEU 97 12.585 -31.239 1.996 1.00 61.32 ATOM 1626 HD23 LEU 97 12.931 -32.965 2.111 1.00 34.03 ATOM 1627 C LEU 97 15.397 -28.606 4.374 1.00 54.41 ATOM 1628 O LEU 97 16.139 -28.468 5.351 1.00 50.34 ATOM 1629 N PRO 98 14.850 -27.542 3.751 1.00 52.51 ATOM 1630 CA PRO 98 15.013 -26.171 4.256 1.00 13.13 ATOM 1631 HA PRO 98 16.060 -25.916 4.372 1.00 11.45 ATOM 1632 CB PRO 98 14.393 -25.300 3.152 1.00 42.43 ATOM 1633 HB1 PRO 98 15.170 -24.943 2.491 1.00 38.14 ATOM 1634 HB2 PRO 98 13.880 -24.456 3.593 1.00 73.22 ATOM 1635 CG PRO 98 13.449 -26.204 2.436 1.00 43.43 ATOM 1636 HG1 PRO 98 13.352 -25.894 1.404 1.00 38.14 ATOM 1637 HG2 PRO 98 12.483 -26.185 2.923 1.00 71.45 ATOM 1638 CD PRO 98 14.049 -27.584 2.512 1.00 42.24 ATOM 1639 HD1 PRO 98 14.677 -27.771 1.652 1.00 38.14 ATOM 1640 HD2 PRO 98 13.272 -28.331 2.584 1.00 54.11 ATOM 1641 C PRO 98 14.292 -25.966 5.597 1.00 14.54 ATOM 1642 O PRO 98 13.072 -25.812 5.648 1.00 2.04 ATOM 1643 N THR 99 15.056 -25.972 6.687 1.00 74.11 ATOM 1644 HN THR 99 16.030 -26.065 6.584 1.00 38.14 ATOM 1645 CA THR 99 14.485 -25.862 8.041 1.00 10.15 ATOM 1646 HA THR 99 13.767 -26.663 8.156 1.00 35.53 ATOM 1647 CB THR 99 15.579 -26.042 9.126 1.00 25.03 ATOM 1648 HB THR 99 16.114 -26.958 8.916 1.00 73.23 ATOM 1649 OG1 THR 99 14.991 -26.144 10.434 1.00 10.31 ATOM 1650 HG1 THR 99 15.050 -27.059 10.735 1.00 74.14 ATOM 1651 CG2 THR 99 16.577 -24.888 9.101 1.00 13.32 ATOM 1652 HG21 THR 99 17.051 -24.839 8.131 1.00 13.32 ATOM 1653 HG22 THR 99 17.330 -25.047 9.860 1.00 71.21 ATOM 1654 HG23 THR 99 16.061 -23.959 9.297 1.00 75.43 ATOM 1655 C THR 99 13.752 -24.521 8.259 1.00 21.15 ATOM 1656 O THR 99 13.055 -24.337 9.256 1.00 52.32 ATOM 1657 N SER 100 13.892 -23.595 7.305 1.00 52.21 ATOM 1658 HN SER 100 14.456 -23.797 6.532 1.00 38.14 ATOM 1659 CA SER 100 13.232 -22.279 7.385 1.00 53.34 ATOM 1660 HA SER 100 13.390 -21.897 8.384 1.00 12.04 ATOM 1661 CB SER 100 13.858 -21.297 6.382 1.00 13.12 ATOM 1662 HB1 SER 100 13.702 -21.663 5.377 1.00 38.14 ATOM 1663 HB2 SER 100 14.919 -21.217 6.572 1.00 11.23 ATOM 1664 OG SER 100 13.280 -20.003 6.493 1.00 12.40 ATOM 1665 HG SER 100 12.891 -19.753 5.646 1.00 13.13 ATOM 1666 C SER 100 11.713 -22.374 7.136 1.00 71.10 ATOM 1667 O SER 100 10.991 -21.378 7.256 1.00 33.44 ATOM 1668 N ILE 101 11.228 -23.563 6.766 1.00 11.30 ATOM 1669 HN ILE 101 11.851 -24.294 6.566 1.00 38.14 ATOM 1670 CA ILE 101 9.780 -23.795 6.651 1.00 31.14 ATOM 1671 HA ILE 101 9.373 -23.048 5.982 1.00 22.41 ATOM 1672 CB ILE 101 9.459 -25.205 6.073 1.00 3.33 ATOM 1673 HB ILE 101 9.834 -25.944 6.768 1.00 52.42 ATOM 1674 CG1 ILE 101 10.139 -25.413 4.707 1.00 12.33 ATOM 1675 HG11 ILE 101 11.183 -25.144 4.782 1.00 38.14 ATOM 1676 HG12 ILE 101 9.661 -24.783 3.973 1.00 24.12 ATOM 1677 CG2 ILE 101 7.944 -25.402 5.943 1.00 72.14 ATOM 1678 HG21 ILE 101 7.543 -24.675 5.249 1.00 44.33 ATOM 1679 HG22 ILE 101 7.478 -25.270 6.908 1.00 33.24 ATOM 1680 HG23 ILE 101 7.738 -26.399 5.580 1.00 23.22 ATOM 1681 CD1 ILE 101 10.059 -26.838 4.200 1.00 12.14 ATOM 1682 HD11 ILE 101 10.534 -27.502 4.908 1.00 52.35 ATOM 1683 HD12 ILE 101 10.562 -26.908 3.247 1.00 3.20 ATOM 1684 HD13 ILE 101 9.023 -27.120 4.080 1.00 35.44 ATOM 1685 C ILE 101 9.116 -23.650 8.035 1.00 63.32 ATOM 1686 O ILE 101 9.079 -24.596 8.820 1.00 61.22 ATOM 1687 N THR 102 8.611 -22.453 8.333 1.00 41.25 ATOM 1688 HN THR 102 8.602 -21.760 7.641 1.00 38.14 ATOM 1689 CA THR 102 8.095 -22.122 9.675 1.00 44.15 ATOM 1690 HA THR 102 8.943 -22.079 10.345 1.00 32.34 ATOM 1691 CB THR 102 7.414 -20.733 9.683 1.00 4.31 ATOM 1692 HB THR 102 6.537 -20.775 9.052 1.00 61.21 ATOM 1693 OG1 THR 102 8.312 -19.737 9.161 1.00 5.43 ATOM 1694 HG1 THR 102 9.228 -20.030 9.292 1.00 51.31 ATOM 1695 CG2 THR 102 6.979 -20.335 11.092 1.00 31.11 ATOM 1696 HG21 THR 102 6.503 -19.366 11.061 1.00 41.10 ATOM 1697 HG22 THR 102 7.844 -20.290 11.738 1.00 23.02 ATOM 1698 HG23 THR 102 6.282 -21.067 11.475 1.00 64.30 ATOM 1699 C THR 102 7.100 -23.163 10.218 1.00 0.13 ATOM 1700 O THR 102 7.228 -23.623 11.354 1.00 74.51 ATOM 1701 N SER 103 6.110 -23.533 9.410 1.00 5.24 ATOM 1702 HN SER 103 6.063 -23.151 8.509 1.00 38.14 ATOM 1703 CA SER 103 5.074 -24.486 9.843 1.00 35.34 ATOM 1704 HA SER 103 4.963 -24.384 10.913 1.00 20.15 ATOM 1705 CB SER 103 3.729 -24.145 9.180 1.00 21.11 ATOM 1706 HB1 SER 103 2.972 -24.836 9.525 1.00 38.14 ATOM 1707 HB2 SER 103 3.827 -24.228 8.108 1.00 2.30 ATOM 1708 OG SER 103 3.317 -22.819 9.500 1.00 71.13 ATOM 1709 HG SER 103 3.342 -22.698 10.462 1.00 42.34 ATOM 1710 C SER 103 5.452 -25.946 9.535 1.00 1.03 ATOM 1711 O SER 103 4.591 -26.829 9.553 1.00 72.14 ATOM 1712 N ALA 104 6.740 -26.206 9.284 1.00 71.21 ATOM 1713 HN ALA 104 7.387 -25.469 9.300 1.00 38.14 ATOM 1714 CA ALA 104 7.216 -27.567 8.986 1.00 44.25 ATOM 1715 HA ALA 104 6.787 -27.866 8.039 1.00 32.43 ATOM 1716 CB ALA 104 8.734 -27.584 8.842 1.00 33.20 ATOM 1717 HB1 ALA 104 9.028 -26.887 8.073 1.00 4.35 ATOM 1718 HB2 ALA 104 9.063 -28.578 8.569 1.00 41.50 ATOM 1719 HB3 ALA 104 9.190 -27.298 9.779 1.00 20.55 ATOM 1720 C ALA 104 6.785 -28.569 10.063 1.00 14.32 ATOM 1721 O ALA 104 6.319 -29.666 9.755 1.00 53.45 ATOM 1722 N ALA 105 6.937 -28.174 11.328 1.00 45.54 ATOM 1723 HN ALA 105 7.328 -27.292 11.503 1.00 38.14 ATOM 1724 CA ALA 105 6.550 -29.018 12.465 1.00 22.15 ATOM 1725 HA ALA 105 7.207 -29.878 12.479 1.00 10.34 ATOM 1726 CB ALA 105 6.747 -28.253 13.770 1.00 41.22 ATOM 1727 HB1 ALA 105 6.084 -27.399 13.792 1.00 64.24 ATOM 1728 HB2 ALA 105 7.770 -27.913 13.839 1.00 63.14 ATOM 1729 HB3 ALA 105 6.527 -28.901 14.606 1.00 43.42 ATOM 1730 C ALA 105 5.096 -29.507 12.350 1.00 23.54 ATOM 1731 O ALA 105 4.776 -30.642 12.708 1.00 42.25 ATOM 1732 N PHE 106 4.221 -28.640 11.851 1.00 72.44 ATOM 1733 HN PHE 106 4.534 -27.754 11.577 1.00 38.14 ATOM 1734 CA PHE 106 2.810 -28.980 11.682 1.00 74.44 ATOM 1735 HA PHE 106 2.492 -29.510 12.570 1.00 64.45 ATOM 1736 CB PHE 106 1.972 -27.702 11.548 1.00 65.34 ATOM 1737 HB1 PHE 106 2.226 -27.206 10.621 1.00 38.14 ATOM 1738 HB2 PHE 106 2.198 -27.042 12.374 1.00 50.31 ATOM 1739 CG PHE 106 0.485 -27.955 11.553 1.00 13.23 ATOM 1740 CD1 PHE 106 -0.270 -27.800 10.399 1.00 60.24 ATOM 1741 HD1 PHE 106 0.214 -27.487 9.486 1.00 14.01 ATOM 1742 CD2 PHE 106 -0.153 -28.359 12.718 1.00 72.12 ATOM 1743 HD2 PHE 106 0.424 -28.484 13.624 1.00 52.21 ATOM 1744 CE1 PHE 106 -1.631 -28.040 10.408 1.00 55.43 ATOM 1745 HE1 PHE 106 -2.209 -27.915 9.502 1.00 44.31 ATOM 1746 CE2 PHE 106 -1.513 -28.598 12.731 1.00 34.54 ATOM 1747 HE2 PHE 106 -1.999 -28.911 13.646 1.00 71.24 ATOM 1748 CZ PHE 106 -2.253 -28.439 11.575 1.00 63.31 ATOM 1749 HZ PHE 106 -3.316 -28.627 11.585 1.00 32.33 ATOM 1750 C PHE 106 2.592 -29.892 10.461 1.00 33.01 ATOM 1751 O PHE 106 1.907 -30.914 10.554 1.00 30.44 ATOM 1752 N THR 107 3.177 -29.518 9.321 1.00 71.52 ATOM 1753 HN THR 107 3.720 -28.698 9.310 1.00 38.14 ATOM 1754 CA THR 107 3.025 -30.293 8.076 1.00 53.33 ATOM 1755 HA THR 107 1.965 -30.358 7.865 1.00 10.10 ATOM 1756 CB THR 107 3.709 -29.593 6.874 1.00 64.11 ATOM 1757 HB THR 107 4.754 -29.449 7.111 1.00 13.52 ATOM 1758 OG1 THR 107 3.103 -28.312 6.644 1.00 22.21 ATOM 1759 HG1 THR 107 2.144 -28.422 6.586 1.00 63.24 ATOM 1760 CG2 THR 107 3.609 -30.437 5.603 1.00 1.40 ATOM 1761 HG21 THR 107 2.570 -30.608 5.364 1.00 43.41 ATOM 1762 HG22 THR 107 4.104 -31.386 5.755 1.00 3.31 ATOM 1763 HG23 THR 107 4.082 -29.913 4.786 1.00 31.43 ATOM 1764 C THR 107 3.582 -31.720 8.210 1.00 25.22 ATOM 1765 O THR 107 2.884 -32.690 7.914 1.00 31.42 ATOM 1766 N LEU 108 4.833 -31.843 8.663 1.00 22.04 ATOM 1767 HN LEU 108 5.343 -31.034 8.881 1.00 38.14 ATOM 1768 CA LEU 108 5.467 -33.159 8.845 1.00 35.30 ATOM 1769 HA LEU 108 5.542 -33.628 7.873 1.00 25.23 ATOM 1770 CB LEU 108 6.876 -33.003 9.434 1.00 1.24 ATOM 1771 HB1 LEU 108 7.272 -33.991 9.632 1.00 38.14 ATOM 1772 HB2 LEU 108 6.792 -32.477 10.376 1.00 71.42 ATOM 1773 CG LEU 108 7.887 -32.253 8.554 1.00 75.51 ATOM 1774 HG LEU 108 7.516 -31.255 8.364 1.00 13.23 ATOM 1775 CD1 LEU 108 9.227 -32.123 9.273 1.00 21.12 ATOM 1776 HD11 LEU 108 9.097 -31.538 10.173 1.00 14.20 ATOM 1777 HD12 LEU 108 9.938 -31.633 8.626 1.00 73.33 ATOM 1778 HD13 LEU 108 9.595 -33.105 9.535 1.00 51.42 ATOM 1779 CD2 LEU 108 8.060 -32.956 7.207 1.00 33.24 ATOM 1780 HD21 LEU 108 8.784 -32.420 6.610 1.00 33.21 ATOM 1781 HD22 LEU 108 7.114 -32.978 6.688 1.00 15.12 ATOM 1782 HD23 LEU 108 8.405 -33.967 7.369 1.00 63.44 ATOM 1783 C LEU 108 4.625 -34.056 9.760 1.00 75.54 ATOM 1784 O LEU 108 4.361 -35.215 9.444 1.00 1.35 ATOM 1785 N ARG 109 4.204 -33.500 10.892 1.00 41.03 ATOM 1786 HN ARG 109 4.489 -32.585 11.102 1.00 38.14 ATOM 1787 CA ARG 109 3.341 -34.209 11.840 1.00 44.25 ATOM 1788 HA ARG 109 3.888 -35.070 12.200 1.00 2.42 ATOM 1789 CB ARG 109 3.031 -33.289 13.027 1.00 1.51 ATOM 1790 HB1 ARG 109 2.718 -32.326 12.647 1.00 38.14 ATOM 1791 HB2 ARG 109 3.936 -33.154 13.605 1.00 63.41 ATOM 1792 CG ARG 109 1.945 -33.808 13.962 1.00 51.11 ATOM 1793 HG1 ARG 109 2.197 -34.814 14.270 1.00 38.14 ATOM 1794 HG2 ARG 109 1.001 -33.818 13.434 1.00 60.50 ATOM 1795 CD ARG 109 1.810 -32.929 15.199 1.00 44.33 ATOM 1796 HD1 ARG 109 2.709 -33.029 15.792 1.00 38.14 ATOM 1797 HD2 ARG 109 0.966 -33.275 15.774 1.00 33.11 ATOM 1798 NE ARG 109 1.608 -31.515 14.872 1.00 72.11 ATOM 1799 HE ARG 109 0.988 -31.302 14.145 1.00 4.11 ATOM 1800 CZ ARG 109 2.192 -30.530 15.503 1.00 15.51 ATOM 1801 NH1 ARG 109 3.030 -30.775 16.462 1.00 14.03 ATOM 1802 HH11 ARG 109 3.229 -31.715 16.718 1.00 43.55 ATOM 1803 HH12 ARG 109 3.469 -30.023 16.952 1.00 64.34 ATOM 1804 NH2 ARG 109 1.941 -29.303 15.170 1.00 21.32 ATOM 1805 HH21 ARG 109 1.300 -29.110 14.434 1.00 52.04 ATOM 1806 HH22 ARG 109 2.389 -28.555 15.652 1.00 43.31 ATOM 1807 C ARG 109 2.038 -34.692 11.177 1.00 61.30 ATOM 1808 O ARG 109 1.630 -35.841 11.353 1.00 21.02 ATOM 1809 N THR 110 1.399 -33.810 10.412 1.00 51.21 ATOM 1810 HN THR 110 1.777 -32.911 10.306 1.00 38.14 ATOM 1811 CA THR 110 0.142 -34.144 9.724 1.00 64.15 ATOM 1812 HA THR 110 -0.561 -34.489 10.472 1.00 4.40 ATOM 1813 CB THR 110 -0.470 -32.901 9.024 1.00 32.42 ATOM 1814 HB THR 110 0.227 -32.549 8.274 1.00 73.51 ATOM 1815 OG1 THR 110 -0.689 -31.852 9.982 1.00 24.31 ATOM 1816 HG1 THR 110 0.035 -31.216 9.931 1.00 60.25 ATOM 1817 CG2 THR 110 -1.791 -33.244 8.340 1.00 54.54 ATOM 1818 HG21 THR 110 -1.622 -33.993 7.580 1.00 2.11 ATOM 1819 HG22 THR 110 -2.202 -32.355 7.883 1.00 73.50 ATOM 1820 HG23 THR 110 -2.489 -33.627 9.071 1.00 11.33 ATOM 1821 C THR 110 0.344 -35.256 8.683 1.00 4.35 ATOM 1822 O THR 110 -0.377 -36.254 8.679 1.00 11.32 ATOM 1823 N GLN 111 1.338 -35.087 7.810 1.00 64.01 ATOM 1824 HN GLN 111 1.906 -34.292 7.884 1.00 38.14 ATOM 1825 CA GLN 111 1.609 -36.066 6.747 1.00 3.01 ATOM 1826 HA GLN 111 0.689 -36.208 6.195 1.00 31.14 ATOM 1827 CB GLN 111 2.683 -35.535 5.784 1.00 33.45 ATOM 1828 HB1 GLN 111 2.828 -36.256 4.991 1.00 38.14 ATOM 1829 HB2 GLN 111 3.612 -35.422 6.326 1.00 55.23 ATOM 1830 CG GLN 111 2.334 -34.190 5.148 1.00 43.23 ATOM 1831 HG1 GLN 111 3.098 -33.940 4.424 1.00 38.14 ATOM 1832 HG2 GLN 111 2.318 -33.436 5.921 1.00 31.13 ATOM 1833 CD GLN 111 0.984 -34.189 4.445 1.00 14.40 ATOM 1834 OE1 GLN 111 0.525 -35.207 3.933 1.00 41.43 ATOM 1835 NE2 GLN 111 0.335 -33.044 4.416 1.00 21.34 ATOM 1836 HE21 GLN 111 0.749 -32.265 4.837 1.00 74.01 ATOM 1837 HE22 GLN 111 -0.536 -33.021 3.973 1.00 41.43 ATOM 1838 C GLN 111 2.039 -37.421 7.330 1.00 23.24 ATOM 1839 O GLN 111 1.586 -38.475 6.876 1.00 12.31 ATOM 1840 N TYR 112 2.903 -37.386 8.343 1.00 74.02 ATOM 1841 HN TYR 112 3.270 -36.523 8.628 1.00 38.14 ATOM 1842 CA TYR 112 3.319 -38.605 9.044 1.00 43.54 ATOM 1843 HA TYR 112 3.806 -39.254 8.327 1.00 22.43 ATOM 1844 CB TYR 112 4.309 -38.262 10.172 1.00 24.13 ATOM 1845 HB1 TYR 112 3.786 -37.719 10.948 1.00 38.14 ATOM 1846 HB2 TYR 112 5.093 -37.633 9.774 1.00 22.34 ATOM 1847 CG TYR 112 4.967 -39.476 10.812 1.00 73.34 ATOM 1848 CD1 TYR 112 4.280 -40.275 11.723 1.00 13.25 ATOM 1849 HD1 TYR 112 3.261 -40.022 11.981 1.00 10.50 ATOM 1850 CD2 TYR 112 6.277 -39.824 10.500 1.00 41.14 ATOM 1851 HD2 TYR 112 6.830 -39.216 9.798 1.00 51.15 ATOM 1852 CE1 TYR 112 4.876 -41.379 12.299 1.00 12.00 ATOM 1853 HE1 TYR 112 4.325 -41.985 13.003 1.00 10.13 ATOM 1854 CE2 TYR 112 6.879 -40.927 11.074 1.00 32.42 ATOM 1855 HE2 TYR 112 7.897 -41.178 10.819 1.00 64.55 ATOM 1856 CZ TYR 112 6.174 -41.702 11.970 1.00 61.12 ATOM 1857 OH TYR 112 6.770 -42.801 12.540 1.00 11.34 ATOM 1858 HH TYR 112 7.630 -42.557 12.888 1.00 12.43 ATOM 1859 C TYR 112 2.091 -39.322 9.621 1.00 62.51 ATOM 1860 O TYR 112 1.932 -40.534 9.471 1.00 13.32 ATOM 1861 N MET 113 1.218 -38.547 10.264 1.00 14.34 ATOM 1862 HN MET 113 1.411 -37.587 10.344 1.00 38.14 ATOM 1863 CA MET 113 -0.017 -39.069 10.860 1.00 74.33 ATOM 1864 HA MET 113 0.255 -39.771 11.634 1.00 11.41 ATOM 1865 CB MET 113 -0.813 -37.916 11.486 1.00 1.35 ATOM 1866 HB1 MET 113 -1.217 -37.299 10.696 1.00 38.14 ATOM 1867 HB2 MET 113 -0.140 -37.316 12.083 1.00 55.14 ATOM 1868 CG MET 113 -1.962 -38.359 12.379 1.00 62.44 ATOM 1869 HG1 MET 113 -1.551 -38.813 13.271 1.00 38.14 ATOM 1870 HG2 MET 113 -2.560 -39.087 11.848 1.00 2.44 ATOM 1871 SD MET 113 -3.022 -36.981 12.867 1.00 2.23 ATOM 1872 CE MET 113 -1.801 -35.808 13.461 1.00 62.34 ATOM 1873 HE1 MET 113 -1.218 -36.262 14.250 1.00 20.41 ATOM 1874 HE2 MET 113 -2.302 -34.932 13.846 1.00 21.23 ATOM 1875 HE3 MET 113 -1.148 -35.521 12.650 1.00 23.43 ATOM 1876 C MET 113 -0.885 -39.787 9.812 1.00 41.20 ATOM 1877 O MET 113 -1.442 -40.854 10.072 1.00 55.10 ATOM 1878 N LYS 114 -0.983 -39.184 8.631 1.00 23.12 ATOM 1879 HN LYS 114 -0.504 -38.337 8.495 1.00 38.14 ATOM 1880 CA LYS 114 -1.787 -39.728 7.529 1.00 72.12 ATOM 1881 HA LYS 114 -2.798 -39.861 7.888 1.00 14.52 ATOM 1882 CB LYS 114 -1.804 -38.731 6.360 1.00 21.01 ATOM 1883 HB1 LYS 114 -2.299 -39.193 5.517 1.00 38.14 ATOM 1884 HB2 LYS 114 -0.782 -38.509 6.082 1.00 12.41 ATOM 1885 CG LYS 114 -2.513 -37.411 6.663 1.00 24.32 ATOM 1886 HG1 LYS 114 -2.188 -37.051 7.630 1.00 38.14 ATOM 1887 HG2 LYS 114 -3.580 -37.583 6.684 1.00 25.14 ATOM 1888 CD LYS 114 -2.202 -36.348 5.608 1.00 53.43 ATOM 1889 HD1 LYS 114 -1.154 -36.090 5.672 1.00 38.14 ATOM 1890 HD2 LYS 114 -2.799 -35.469 5.810 1.00 45.42 ATOM 1891 CE LYS 114 -2.507 -36.833 4.194 1.00 72.03 ATOM 1892 HE1 LYS 114 -3.572 -36.991 4.101 1.00 38.14 ATOM 1893 HE2 LYS 114 -1.992 -37.767 4.027 1.00 11.55 ATOM 1894 NZ LYS 114 -2.071 -35.856 3.161 1.00 14.33 ATOM 1895 HZ1 LYS 114 -1.055 -35.658 3.260 1.00 23.32 ATOM 1896 HZ2 LYS 114 -2.597 -34.965 3.265 1.00 53.52 ATOM 1897 HZ3 LYS 114 -2.247 -36.236 2.208 1.00 72.23 ATOM 1898 C LYS 114 -1.256 -41.080 7.019 1.00 3.41 ATOM 1899 O LYS 114 -2.008 -42.046 6.893 1.00 75.22 ATOM 1900 N TYR 115 0.041 -41.135 6.712 1.00 31.15 ATOM 1901 HN TYR 115 0.619 -40.379 6.949 1.00 38.14 ATOM 1902 CA TYR 115 0.622 -42.297 6.019 1.00 34.32 ATOM 1903 HA TYR 115 -0.189 -42.861 5.582 1.00 13.33 ATOM 1904 CB TYR 115 1.544 -41.814 4.887 1.00 31.32 ATOM 1905 HB1 TYR 115 1.897 -42.670 4.327 1.00 38.14 ATOM 1906 HB2 TYR 115 2.392 -41.300 5.317 1.00 1.12 ATOM 1907 CG TYR 115 0.866 -40.865 3.913 1.00 73.43 ATOM 1908 CD1 TYR 115 0.068 -41.348 2.883 1.00 3.52 ATOM 1909 HD1 TYR 115 -0.056 -42.416 2.772 1.00 53.54 ATOM 1910 CD2 TYR 115 1.009 -39.486 4.035 1.00 14.53 ATOM 1911 HD2 TYR 115 1.628 -39.089 4.828 1.00 61.20 ATOM 1912 CE1 TYR 115 -0.563 -40.491 2.005 1.00 25.33 ATOM 1913 HE1 TYR 115 -1.179 -40.890 1.212 1.00 33.30 ATOM 1914 CE2 TYR 115 0.382 -38.622 3.157 1.00 50.31 ATOM 1915 HE2 TYR 115 0.505 -37.554 3.269 1.00 63.53 ATOM 1916 CZ TYR 115 -0.407 -39.130 2.146 1.00 31.25 ATOM 1917 OH TYR 115 -1.047 -38.276 1.278 1.00 12.01 ATOM 1918 HH TYR 115 -1.925 -38.624 1.081 1.00 61.02 ATOM 1919 C TYR 115 1.412 -43.228 6.956 1.00 42.25 ATOM 1920 O TYR 115 1.189 -44.438 6.981 1.00 54.21 ATOM 1921 N LEU 116 2.322 -42.656 7.735 1.00 11.44 ATOM 1922 HN LEU 116 2.325 -41.681 7.825 1.00 38.14 ATOM 1923 CA LEU 116 3.318 -43.446 8.473 1.00 15.31 ATOM 1924 HA LEU 116 3.504 -44.347 7.906 1.00 74.30 ATOM 1925 CB LEU 116 4.626 -42.651 8.554 1.00 24.32 ATOM 1926 HB1 LEU 116 5.348 -43.234 9.108 1.00 38.14 ATOM 1927 HB2 LEU 116 4.435 -41.734 9.096 1.00 32.52 ATOM 1928 CG LEU 116 5.242 -42.290 7.190 1.00 54.51 ATOM 1929 HG LEU 116 4.500 -41.764 6.599 1.00 42.41 ATOM 1930 CD1 LEU 116 6.448 -41.369 7.358 1.00 51.44 ATOM 1931 HD11 LEU 116 7.203 -41.862 7.955 1.00 1.14 ATOM 1932 HD12 LEU 116 6.140 -40.457 7.850 1.00 64.05 ATOM 1933 HD13 LEU 116 6.857 -41.130 6.387 1.00 62.45 ATOM 1934 CD2 LEU 116 5.633 -43.553 6.425 1.00 74.15 ATOM 1935 HD21 LEU 116 6.036 -43.281 5.460 1.00 11.40 ATOM 1936 HD22 LEU 116 4.761 -44.175 6.287 1.00 3.13 ATOM 1937 HD23 LEU 116 6.379 -44.100 6.985 1.00 0.11 ATOM 1938 C LEU 116 2.853 -43.853 9.882 1.00 34.40 ATOM 1939 O LEU 116 3.307 -44.866 10.418 1.00 21.45 ATOM 1940 N TYR 117 1.948 -43.077 10.478 1.00 72.22 ATOM 1941 HN TYR 117 1.577 -42.313 9.990 1.00 38.14 ATOM 1942 CA TYR 117 1.485 -43.357 11.846 1.00 72.34 ATOM 1943 HA TYR 117 2.368 -43.378 12.473 1.00 55.42 ATOM 1944 CB TYR 117 0.559 -42.248 12.368 1.00 40.45 ATOM 1945 HB1 TYR 117 -0.270 -42.124 11.684 1.00 38.14 ATOM 1946 HB2 TYR 117 1.112 -41.320 12.427 1.00 43.45 ATOM 1947 CG TYR 117 -0.005 -42.548 13.747 1.00 14.04 ATOM 1948 CD1 TYR 117 -1.352 -42.847 13.925 1.00 71.11 ATOM 1949 HD1 TYR 117 -2.010 -42.842 13.068 1.00 71.21 ATOM 1950 CD2 TYR 117 0.821 -42.561 14.866 1.00 71.13 ATOM 1951 HD2 TYR 117 1.871 -42.329 14.747 1.00 13.43 ATOM 1952 CE1 TYR 117 -1.856 -43.150 15.176 1.00 13.31 ATOM 1953 HE1 TYR 117 -2.906 -43.381 15.292 1.00 60.43 ATOM 1954 CE2 TYR 117 0.322 -42.858 16.120 1.00 54.35 ATOM 1955 HE2 TYR 117 0.982 -42.859 16.977 1.00 2.55 ATOM 1956 CZ TYR 117 -1.016 -43.152 16.269 1.00 34.54 ATOM 1957 OH TYR 117 -1.514 -43.463 17.513 1.00 52.22 ATOM 1958 HH TYR 117 -2.154 -44.181 17.432 1.00 42.45 ATOM 1959 C TYR 117 0.790 -44.730 11.969 1.00 62.11 ATOM 1960 O TYR 117 1.037 -45.451 12.933 1.00 51.41 ATOM 1961 N PRO 118 -0.112 -45.112 11.030 1.00 35.44 ATOM 1962 CA PRO 118 -0.716 -46.457 11.036 1.00 64.42 ATOM 1963 HA PRO 118 -1.445 -46.557 11.828 1.00 41.40 ATOM 1964 CB PRO 118 -1.418 -46.528 9.674 1.00 53.20 ATOM 1965 HB1 PRO 118 -2.303 -47.143 9.750 1.00 38.14 ATOM 1966 HB2 PRO 118 -0.746 -46.945 8.935 1.00 1.34 ATOM 1967 CG PRO 118 -1.763 -45.113 9.360 1.00 11.42 ATOM 1968 HG1 PRO 118 -2.700 -44.849 9.833 1.00 38.14 ATOM 1969 HG2 PRO 118 -1.832 -44.979 8.289 1.00 52.01 ATOM 1970 CD PRO 118 -0.640 -44.280 9.922 1.00 61.20 ATOM 1971 HD1 PRO 118 -1.018 -43.339 10.294 1.00 38.14 ATOM 1972 HD2 PRO 118 0.120 -44.111 9.170 1.00 14.14 ATOM 1973 C PRO 118 0.337 -47.576 11.166 1.00 12.10 ATOM 1974 O PRO 118 0.164 -48.530 11.931 1.00 41.42 ATOM 1975 N TYR 119 1.432 -47.439 10.421 1.00 33.02 ATOM 1976 HN TYR 119 1.516 -46.650 9.843 1.00 38.14 ATOM 1977 CA TYR 119 2.523 -48.421 10.443 1.00 54.21 ATOM 1978 HA TYR 119 2.097 -49.395 10.247 1.00 52.42 ATOM 1979 CB TYR 119 3.541 -48.084 9.342 1.00 42.13 ATOM 1980 HB1 TYR 119 4.244 -47.354 9.722 1.00 38.14 ATOM 1981 HB2 TYR 119 3.016 -47.655 8.501 1.00 45.41 ATOM 1982 CG TYR 119 4.334 -49.276 8.833 1.00 70.44 ATOM 1983 CD1 TYR 119 5.506 -49.687 9.458 1.00 75.04 ATOM 1984 HD1 TYR 119 5.854 -49.150 10.328 1.00 62.34 ATOM 1985 CD2 TYR 119 3.907 -49.985 7.714 1.00 23.34 ATOM 1986 HD2 TYR 119 3.000 -49.680 7.215 1.00 74.34 ATOM 1987 CE1 TYR 119 6.229 -50.766 8.981 1.00 14.51 ATOM 1988 HE1 TYR 119 7.138 -51.070 9.480 1.00 53.44 ATOM 1989 CE2 TYR 119 4.622 -51.063 7.235 1.00 2.22 ATOM 1990 HE2 TYR 119 4.271 -51.599 6.365 1.00 50.11 ATOM 1991 CZ TYR 119 5.781 -51.451 7.870 1.00 2.12 ATOM 1992 OH TYR 119 6.497 -52.526 7.388 1.00 61.40 ATOM 1993 HH TYR 119 6.628 -52.424 6.439 1.00 2.21 ATOM 1994 C TYR 119 3.207 -48.441 11.824 1.00 20.41 ATOM 1995 O TYR 119 3.406 -49.504 12.418 1.00 5.10 ATOM 1996 N GLU 120 3.552 -47.251 12.318 1.00 44.34 ATOM 1997 HN GLU 120 3.439 -46.458 11.751 1.00 38.14 ATOM 1998 CA GLU 120 4.103 -47.074 13.673 1.00 62.41 ATOM 1999 HA GLU 120 5.077 -47.542 13.698 1.00 61.42 ATOM 2000 CB GLU 120 4.262 -45.559 13.948 1.00 14.23 ATOM 2001 HB1 GLU 120 3.447 -45.038 13.463 1.00 38.14 ATOM 2002 HB2 GLU 120 5.189 -45.227 13.504 1.00 44.04 ATOM 2003 CG GLU 120 4.273 -45.142 15.425 1.00 40.32 ATOM 2004 HG1 GLU 120 3.366 -45.506 15.889 1.00 38.14 ATOM 2005 HG2 GLU 120 4.281 -44.063 15.474 1.00 4.41 ATOM 2006 CD GLU 120 5.467 -45.660 16.213 1.00 55.40 ATOM 2007 OE1 GLU 120 5.309 -46.665 16.940 1.00 55.11 ATOM 2008 OE2 GLU 120 6.551 -45.047 16.133 1.00 43.25 ATOM 2009 C GLU 120 3.208 -47.738 14.736 1.00 20.14 ATOM 2010 O GLU 120 3.646 -48.625 15.475 1.00 64.11 ATOM 2011 N CYS 121 1.943 -47.326 14.776 1.00 22.25 ATOM 2012 HN CYS 121 1.649 -46.662 14.120 1.00 38.14 ATOM 2013 CA CYS 121 0.977 -47.822 15.768 1.00 0.22 ATOM 2014 HA CYS 121 1.321 -47.513 16.744 1.00 33.10 ATOM 2015 CB CYS 121 -0.398 -47.196 15.513 1.00 13.12 ATOM 2016 HB1 CYS 121 -0.710 -47.428 14.504 1.00 38.14 ATOM 2017 HB2 CYS 121 -0.323 -46.124 15.621 1.00 33.32 ATOM 2018 SG CYS 121 -1.698 -47.765 16.636 1.00 62.12 ATOM 2019 HG CYS 121 -1.316 -47.490 17.877 1.00 72.10 ATOM 2020 C CYS 121 0.848 -49.353 15.756 1.00 53.01 ATOM 2021 O CYS 121 0.583 -49.971 16.790 1.00 55.30 ATOM 2022 N GLU 122 1.026 -49.963 14.590 1.00 10.40 ATOM 2023 HN GLU 122 1.261 -49.427 13.801 1.00 38.14 ATOM 2024 CA GLU 122 0.865 -51.416 14.449 1.00 54.32 ATOM 2025 HA GLU 122 0.121 -51.735 15.166 1.00 34.33 ATOM 2026 CB GLU 122 0.355 -51.748 13.039 1.00 52.14 ATOM 2027 HB1 GLU 122 1.096 -51.433 12.318 1.00 38.14 ATOM 2028 HB2 GLU 122 -0.559 -51.198 12.863 1.00 53.00 ATOM 2029 CG GLU 122 0.069 -53.232 12.813 1.00 1.42 ATOM 2030 HG1 GLU 122 0.985 -53.789 12.966 1.00 38.14 ATOM 2031 HG2 GLU 122 -0.266 -53.372 11.794 1.00 73.13 ATOM 2032 CD GLU 122 -0.996 -53.774 13.755 1.00 50.21 ATOM 2033 OE1 GLU 122 -0.653 -54.558 14.665 1.00 42.35 ATOM 2034 OE2 GLU 122 -2.180 -53.406 13.599 1.00 73.53 ATOM 2035 C GLU 122 2.171 -52.184 14.727 1.00 32.14 ATOM 2036 O GLU 122 2.206 -53.093 15.561 1.00 64.24 ATOM 2037 N LYS 123 3.240 -51.818 14.028 1.00 4.42 ATOM 2038 HN LYS 123 3.194 -51.007 13.477 1.00 38.14 ATOM 2039 CA LYS 123 4.491 -52.588 14.064 1.00 73.23 ATOM 2040 HA LYS 123 4.228 -53.634 14.143 1.00 54.34 ATOM 2041 CB LYS 123 5.264 -52.381 12.754 1.00 14.25 ATOM 2042 HB1 LYS 123 6.165 -52.977 12.780 1.00 38.14 ATOM 2043 HB2 LYS 123 5.539 -51.338 12.673 1.00 34.14 ATOM 2044 CG LYS 123 4.472 -52.763 11.502 1.00 63.21 ATOM 2045 HG1 LYS 123 5.101 -52.617 10.635 1.00 38.14 ATOM 2046 HG2 LYS 123 3.606 -52.120 11.429 1.00 13.25 ATOM 2047 CD LYS 123 4.004 -54.219 11.535 1.00 44.32 ATOM 2048 HD1 LYS 123 3.371 -54.365 12.399 1.00 38.14 ATOM 2049 HD2 LYS 123 4.869 -54.865 11.609 1.00 61.43 ATOM 2050 CE LYS 123 3.221 -54.590 10.279 1.00 41.11 ATOM 2051 HE1 LYS 123 3.864 -54.468 9.418 1.00 38.14 ATOM 2052 HE2 LYS 123 2.372 -53.929 10.189 1.00 10.23 ATOM 2053 NZ LYS 123 2.732 -55.994 10.320 1.00 10.53 ATOM 2054 HZ1 LYS 123 3.529 -56.648 10.458 1.00 71.25 ATOM 2055 HZ2 LYS 123 2.257 -56.235 9.426 1.00 71.33 ATOM 2056 HZ3 LYS 123 2.056 -56.118 11.099 1.00 2.55 ATOM 2057 C LYS 123 5.382 -52.226 15.268 1.00 14.25 ATOM 2058 O LYS 123 6.055 -53.093 15.832 1.00 71.21 ATOM 2059 N ARG 124 5.397 -50.953 15.657 1.00 35.24 ATOM 2060 HN ARG 124 4.830 -50.303 15.189 1.00 38.14 ATOM 2061 CA ARG 124 6.234 -50.501 16.778 1.00 75.33 ATOM 2062 HA ARG 124 6.949 -51.285 16.991 1.00 3.13 ATOM 2063 CB ARG 124 7.006 -49.233 16.388 1.00 33.44 ATOM 2064 HB1 ARG 124 7.536 -48.864 17.255 1.00 38.14 ATOM 2065 HB2 ARG 124 6.300 -48.481 16.065 1.00 42.34 ATOM 2066 CG ARG 124 8.017 -49.449 15.269 1.00 10.14 ATOM 2067 HG1 ARG 124 8.498 -48.507 15.044 1.00 38.14 ATOM 2068 HG2 ARG 124 7.499 -49.809 14.391 1.00 54.50 ATOM 2069 CD ARG 124 9.082 -50.464 15.668 1.00 22.00 ATOM 2070 HD1 ARG 124 8.596 -51.391 15.940 1.00 38.14 ATOM 2071 HD2 ARG 124 9.624 -50.082 16.522 1.00 61.41 ATOM 2072 NE ARG 124 10.028 -50.727 14.587 1.00 61.33 ATOM 2073 HE ARG 124 9.766 -50.465 13.684 1.00 64.22 ATOM 2074 CZ ARG 124 11.191 -51.295 14.756 1.00 44.03 ATOM 2075 NH1 ARG 124 11.580 -51.660 15.937 1.00 11.13 ATOM 2076 HH11 ARG 124 10.988 -51.510 16.727 1.00 4.41 ATOM 2077 HH12 ARG 124 12.476 -52.087 16.059 1.00 23.32 ATOM 2078 NH2 ARG 124 11.964 -51.495 13.740 1.00 24.13 ATOM 2079 HH21 ARG 124 11.671 -51.216 12.829 1.00 40.44 ATOM 2080 HH22 ARG 124 12.852 -51.930 13.870 1.00 1.21 ATOM 2081 C ARG 124 5.402 -50.250 18.046 1.00 21.12 ATOM 2082 O ARG 124 5.512 -50.988 19.030 1.00 14.31 ATOM 2083 N GLY 125 4.570 -49.213 18.020 1.00 63.51 ATOM 2084 HN GLY 125 4.514 -48.660 17.206 1.00 38.14 ATOM 2085 CA GLY 125 3.749 -48.877 19.180 1.00 44.23 ATOM 2086 HA1 GLY 125 3.437 -49.790 19.670 1.00 38.14 ATOM 2087 HA2 GLY 125 2.871 -48.350 18.839 1.00 42.12 ATOM 2088 C GLY 125 4.488 -48.002 20.185 1.00 24.52 ATOM 2089 O GLY 125 4.213 -48.043 21.385 1.00 33.14 ATOM 2090 N LEU 126 5.432 -47.211 19.684 1.00 71.10 ATOM 2091 HN LEU 126 5.604 -47.237 18.717 1.00 38.14 ATOM 2092 CA LEU 126 6.224 -46.299 20.516 1.00 1.34 ATOM 2093 HA LEU 126 6.634 -46.867 21.341 1.00 14.51 ATOM 2094 CB LEU 126 7.379 -45.718 19.686 1.00 3.12 ATOM 2095 HB1 LEU 126 7.959 -45.065 20.324 1.00 38.14 ATOM 2096 HB2 LEU 126 6.954 -45.123 18.887 1.00 23.41 ATOM 2097 CG LEU 126 8.334 -46.751 19.060 1.00 43.30 ATOM 2098 HG LEU 126 7.757 -47.453 18.474 1.00 61.21 ATOM 2099 CD1 LEU 126 9.327 -46.069 18.124 1.00 54.41 ATOM 2100 HD11 LEU 126 8.788 -45.564 17.333 1.00 45.23 ATOM 2101 HD12 LEU 126 9.984 -46.809 17.693 1.00 24.42 ATOM 2102 HD13 LEU 126 9.912 -45.347 18.678 1.00 74.22 ATOM 2103 CD2 LEU 126 9.072 -47.535 20.144 1.00 74.04 ATOM 2104 HD21 LEU 126 9.738 -48.248 19.681 1.00 22.22 ATOM 2105 HD22 LEU 126 8.357 -48.061 20.761 1.00 55.42 ATOM 2106 HD23 LEU 126 9.645 -46.854 20.757 1.00 71.43 ATOM 2107 C LEU 126 5.354 -45.162 21.074 1.00 42.12 ATOM 2108 O LEU 126 5.717 -44.500 22.045 1.00 44.14 ATOM 2109 N SER 127 4.202 -44.938 20.446 1.00 0.04 ATOM 2110 HN SER 127 3.982 -45.475 19.655 1.00 38.14 ATOM 2111 CA SER 127 3.253 -43.911 20.897 1.00 75.04 ATOM 2112 HA SER 127 3.523 -43.628 21.905 1.00 41.41 ATOM 2113 CB SER 127 3.328 -42.670 19.996 1.00 72.51 ATOM 2114 HB1 SER 127 2.656 -41.916 20.378 1.00 38.14 ATOM 2115 HB2 SER 127 3.030 -42.934 18.994 1.00 14.12 ATOM 2116 OG SER 127 4.641 -42.123 19.954 1.00 13.44 ATOM 2117 HG SER 127 5.190 -42.557 20.621 1.00 70.14 ATOM 2118 C SER 127 1.813 -44.449 20.909 1.00 65.40 ATOM 2119 O SER 127 1.503 -45.437 20.240 1.00 41.33 ATOM 2120 N ASN 128 0.936 -43.791 21.667 1.00 71.24 ATOM 2121 HN ASN 128 1.248 -43.019 22.187 1.00 38.14 ATOM 2122 CA ASN 128 -0.481 -44.188 21.746 1.00 25.35 ATOM 2123 HA ASN 128 -0.586 -45.150 21.262 1.00 53.24 ATOM 2124 CB ASN 128 -0.928 -44.315 23.208 1.00 14.12 ATOM 2125 HB1 ASN 128 -1.935 -44.705 23.236 1.00 38.14 ATOM 2126 HB2 ASN 128 -0.917 -43.337 23.667 1.00 23.13 ATOM 2127 CG ASN 128 -0.040 -45.230 24.025 1.00 34.12 ATOM 2128 OD1 ASN 128 -0.224 -46.442 24.055 1.00 2.33 ATOM 2129 ND2 ASN 128 0.910 -44.650 24.719 1.00 54.34 ATOM 2130 HD21 ASN 128 0.990 -43.677 24.671 1.00 75.35 ATOM 2131 HD22 ASN 128 1.498 -45.210 25.256 1.00 41.12 ATOM 2132 C ASN 128 -1.388 -43.170 21.029 1.00 4.22 ATOM 2133 O ASN 128 -1.058 -41.985 20.941 1.00 4.41 ATOM 2134 N PRO 129 -2.559 -43.614 20.525 1.00 11.13 ATOM 2135 CA PRO 129 -3.520 -42.723 19.844 1.00 32.42 ATOM 2136 HA PRO 129 -3.069 -42.256 18.980 1.00 50.34 ATOM 2137 CB PRO 129 -4.635 -43.681 19.386 1.00 13.01 ATOM 2138 HB1 PRO 129 -4.480 -43.949 18.351 1.00 38.14 ATOM 2139 HB2 PRO 129 -5.601 -43.203 19.495 1.00 22.30 ATOM 2140 CG PRO 129 -4.509 -44.870 20.279 1.00 40.15 ATOM 2141 HG1 PRO 129 -4.881 -45.752 19.775 1.00 38.14 ATOM 2142 HG2 PRO 129 -5.056 -44.704 21.196 1.00 2.43 ATOM 2143 CD PRO 129 -3.039 -45.011 20.563 1.00 73.31 ATOM 2144 HD1 PRO 129 -2.557 -45.605 19.799 1.00 38.14 ATOM 2145 HD2 PRO 129 -2.882 -45.449 21.539 1.00 61.31 ATOM 2146 C PRO 129 -4.085 -41.628 20.767 1.00 60.44 ATOM 2147 O PRO 129 -4.426 -40.533 20.308 1.00 41.13 ATOM 2148 N ASN 130 -4.183 -41.922 22.066 1.00 20.35 ATOM 2149 HN ASN 130 -3.896 -42.809 22.378 1.00 38.14 ATOM 2150 CA ASN 130 -4.719 -40.958 23.038 1.00 23.42 ATOM 2151 HA ASN 130 -5.592 -40.503 22.590 1.00 13.31 ATOM 2152 CB ASN 130 -5.152 -41.676 24.321 1.00 70.43 ATOM 2153 HB1 ASN 130 -5.412 -40.941 25.070 1.00 38.14 ATOM 2154 HB2 ASN 130 -4.333 -42.281 24.684 1.00 54.23 ATOM 2155 CG ASN 130 -6.356 -42.576 24.093 1.00 13.23 ATOM 2156 OD1 ASN 130 -7.196 -42.301 23.242 1.00 43.43 ATOM 2157 ND2 ASN 130 -6.456 -43.648 24.848 1.00 0.31 ATOM 2158 HD21 ASN 130 -5.761 -43.813 25.514 1.00 13.43 ATOM 2159 HD22 ASN 130 -7.223 -44.242 24.702 1.00 22.33 ATOM 2160 C ASN 130 -3.710 -39.842 23.360 1.00 42.20 ATOM 2161 O ASN 130 -4.024 -38.656 23.218 1.00 31.14 ATOM 2162 N GLU 131 -2.500 -40.214 23.793 1.00 21.44 ATOM 2163 HN GLU 131 -2.309 -41.172 23.933 1.00 38.14 ATOM 2164 CA GLU 131 -1.450 -39.224 24.081 1.00 44.45 ATOM 2165 HA GLU 131 -1.811 -38.588 24.879 1.00 21.04 ATOM 2166 CB GLU 131 -0.161 -39.916 24.547 1.00 45.41 ATOM 2167 HB1 GLU 131 -0.379 -40.496 25.433 1.00 38.14 ATOM 2168 HB2 GLU 131 0.571 -39.161 24.797 1.00 42.21 ATOM 2169 CG GLU 131 0.448 -40.848 23.508 1.00 71.20 ATOM 2170 HG1 GLU 131 0.698 -40.267 22.632 1.00 38.14 ATOM 2171 HG2 GLU 131 -0.282 -41.598 23.241 1.00 11.41 ATOM 2172 CD GLU 131 1.701 -41.552 24.000 1.00 70.34 ATOM 2173 OE1 GLU 131 1.721 -41.984 25.169 1.00 64.51 ATOM 2174 OE2 GLU 131 2.646 -41.717 23.208 1.00 45.02 ATOM 2175 C GLU 131 -1.157 -38.346 22.854 1.00 30.50 ATOM 2176 O GLU 131 -0.825 -37.166 22.990 1.00 20.23 ATOM 2177 N LEU 132 -1.282 -38.938 21.663 1.00 24.32 ATOM 2178 HN LEU 132 -1.512 -39.892 21.632 1.00 38.14 ATOM 2179 CA LEU 132 -1.071 -38.220 20.399 1.00 21.04 ATOM 2180 HA LEU 132 -0.021 -37.974 20.333 1.00 43.14 ATOM 2181 CB LEU 132 -1.442 -39.130 19.216 1.00 44.43 ATOM 2182 HB1 LEU 132 -2.475 -39.427 19.333 1.00 38.14 ATOM 2183 HB2 LEU 132 -0.826 -40.018 19.270 1.00 14.11 ATOM 2184 CG LEU 132 -1.275 -38.511 17.816 1.00 0.31 ATOM 2185 HG LEU 132 -1.857 -37.602 17.763 1.00 22.40 ATOM 2186 CD1 LEU 132 0.183 -38.144 17.554 1.00 75.11 ATOM 2187 HD11 LEU 132 0.510 -37.417 18.284 1.00 71.14 ATOM 2188 HD12 LEU 132 0.278 -37.722 16.563 1.00 33.55 ATOM 2189 HD13 LEU 132 0.799 -39.029 17.627 1.00 32.12 ATOM 2190 CD2 LEU 132 -1.795 -39.462 16.739 1.00 53.14 ATOM 2191 HD21 LEU 132 -2.841 -39.667 16.913 1.00 5.34 ATOM 2192 HD22 LEU 132 -1.238 -40.388 16.772 1.00 2.23 ATOM 2193 HD23 LEU 132 -1.676 -39.006 15.766 1.00 33.42 ATOM 2194 C LEU 132 -1.885 -36.918 20.334 1.00 1.34 ATOM 2195 O LEU 132 -1.334 -35.841 20.105 1.00 13.52 ATOM 2196 N GLN 133 -3.194 -37.017 20.562 1.00 35.41 ATOM 2197 HN GLN 133 -3.577 -37.895 20.772 1.00 38.14 ATOM 2198 CA GLN 133 -4.076 -35.846 20.498 1.00 41.24 ATOM 2199 HA GLN 133 -3.939 -35.391 19.526 1.00 75.13 ATOM 2200 CB GLN 133 -5.544 -36.277 20.636 1.00 75.13 ATOM 2201 HB1 GLN 133 -5.681 -36.737 21.606 1.00 38.14 ATOM 2202 HB2 GLN 133 -5.763 -37.011 19.873 1.00 31.11 ATOM 2203 CG GLN 133 -6.555 -35.136 20.503 1.00 54.22 ATOM 2204 HG1 GLN 133 -6.489 -34.512 21.384 1.00 38.14 ATOM 2205 HG2 GLN 133 -7.547 -35.559 20.442 1.00 23.13 ATOM 2206 CD GLN 133 -6.325 -34.268 19.271 1.00 44.13 ATOM 2207 OE1 GLN 133 -6.814 -34.558 18.184 1.00 61.31 ATOM 2208 NE2 GLN 133 -5.596 -33.183 19.437 1.00 34.55 ATOM 2209 HE21 GLN 133 -5.244 -32.993 20.330 1.00 24.50 ATOM 2210 HE22 GLN 133 -5.447 -32.605 18.661 1.00 21.42 ATOM 2211 C GLN 133 -3.706 -34.808 21.572 1.00 43.23 ATOM 2212 O GLN 133 -3.685 -33.606 21.305 1.00 51.35 ATOM 2213 N ALA 134 -3.400 -35.278 22.779 1.00 52.31 ATOM 2214 HN ALA 134 -3.472 -36.241 22.947 1.00 38.14 ATOM 2215 CA ALA 134 -2.965 -34.391 23.865 1.00 11.02 ATOM 2216 HA ALA 134 -3.758 -33.677 24.047 1.00 1.34 ATOM 2217 CB ALA 134 -2.753 -35.197 25.143 1.00 31.54 ATOM 2218 HB1 ALA 134 -2.480 -34.532 25.951 1.00 1.11 ATOM 2219 HB2 ALA 134 -1.963 -35.918 24.990 1.00 64.54 ATOM 2220 HB3 ALA 134 -3.667 -35.715 25.397 1.00 73.22 ATOM 2221 C ALA 134 -1.685 -33.624 23.486 1.00 35.52 ATOM 2222 O ALA 134 -1.562 -32.426 23.746 1.00 55.53 ATOM 2223 N ALA 135 -0.746 -34.328 22.851 1.00 23.01 ATOM 2224 HN ALA 135 -0.909 -35.278 22.677 1.00 38.14 ATOM 2225 CA ALA 135 0.518 -33.733 22.398 1.00 62.04 ATOM 2226 HA ALA 135 1.023 -33.316 23.259 1.00 22.34 ATOM 2227 CB ALA 135 1.409 -34.815 21.798 1.00 63.11 ATOM 2228 HB1 ALA 135 0.938 -35.216 20.907 1.00 71.11 ATOM 2229 HB2 ALA 135 1.549 -35.608 22.518 1.00 24.54 ATOM 2230 HB3 ALA 135 2.368 -34.391 21.537 1.00 44.53 ATOM 2231 C ALA 135 0.282 -32.624 21.364 1.00 21.40 ATOM 2232 O ALA 135 0.767 -31.496 21.504 1.00 32.41 ATOM 2233 N ILE 136 -0.464 -32.966 20.321 1.00 41.43 ATOM 2234 HN ILE 136 -0.814 -33.883 20.274 1.00 38.14 ATOM 2235 CA ILE 136 -0.784 -32.031 19.241 1.00 3.41 ATOM 2236 HA ILE 136 0.145 -31.701 18.794 1.00 53.34 ATOM 2237 CB ILE 136 -1.628 -32.735 18.155 1.00 4.30 ATOM 2238 HB ILE 136 -2.587 -32.991 18.586 1.00 33.35 ATOM 2239 CG1 ILE 136 -0.921 -34.022 17.709 1.00 35.43 ATOM 2240 HG11 ILE 136 -0.603 -34.572 18.585 1.00 38.14 ATOM 2241 HG12 ILE 136 -0.054 -33.765 17.124 1.00 21.31 ATOM 2242 CG2 ILE 136 -1.875 -31.806 16.964 1.00 22.41 ATOM 2243 HG21 ILE 136 -2.411 -30.927 17.295 1.00 63.21 ATOM 2244 HG22 ILE 136 -2.460 -32.322 16.217 1.00 41.34 ATOM 2245 HG23 ILE 136 -0.928 -31.508 16.536 1.00 62.53 ATOM 2246 CD1 ILE 136 -1.780 -34.942 16.877 1.00 31.33 ATOM 2247 HD11 ILE 136 -2.659 -35.221 17.440 1.00 70.12 ATOM 2248 HD12 ILE 136 -1.215 -35.828 16.631 1.00 25.51 ATOM 2249 HD13 ILE 136 -2.076 -34.439 15.969 1.00 50.44 ATOM 2250 C ILE 136 -1.550 -30.812 19.767 1.00 70.04 ATOM 2251 O ILE 136 -1.251 -29.670 19.410 1.00 44.13 ATOM 2252 N ASP 137 -2.531 -31.069 20.626 1.00 62.14 ATOM 2253 HN ASP 137 -2.713 -32.001 20.872 1.00 38.14 ATOM 2254 CA ASP 137 -3.347 -30.009 21.217 1.00 24.13 ATOM 2255 HA ASP 137 -3.841 -29.483 20.412 1.00 30.20 ATOM 2256 CB ASP 137 -4.402 -30.627 22.140 1.00 1.33 ATOM 2257 HB1 ASP 137 -3.958 -30.822 23.108 1.00 38.14 ATOM 2258 HB2 ASP 137 -4.741 -31.562 21.715 1.00 10.02 ATOM 2259 CG ASP 137 -5.601 -29.723 22.332 1.00 1.32 ATOM 2260 OD1 ASP 137 -6.543 -29.807 21.517 1.00 30.13 ATOM 2261 OD2 ASP 137 -5.610 -28.923 23.291 1.00 63.14 ATOM 2262 C ASP 137 -2.466 -29.017 21.992 1.00 73.14 ATOM 2263 O ASP 137 -2.663 -27.800 21.925 1.00 5.14 ATOM 2264 N SER 138 -1.483 -29.554 22.719 1.00 20.44 ATOM 2265 HN SER 138 -1.431 -30.532 22.796 1.00 38.14 ATOM 2266 CA SER 138 -0.489 -28.731 23.422 1.00 63.01 ATOM 2267 HA SER 138 -1.018 -28.106 24.128 1.00 34.41 ATOM 2268 CB SER 138 0.505 -29.617 24.191 1.00 51.31 ATOM 2269 HB1 SER 138 1.259 -28.993 24.650 1.00 38.14 ATOM 2270 HB2 SER 138 0.978 -30.303 23.504 1.00 63.35 ATOM 2271 OG SER 138 -0.145 -30.370 25.207 1.00 24.11 ATOM 2272 HG SER 138 0.342 -31.193 25.353 1.00 62.51 ATOM 2273 C SER 138 0.278 -27.832 22.444 1.00 51.02 ATOM 2274 O SER 138 0.469 -26.643 22.700 1.00 24.45 ATOM 2275 N ASN 139 0.701 -28.411 21.317 1.00 13.22 ATOM 2276 HN ASN 139 0.511 -29.365 21.175 1.00 38.14 ATOM 2277 CA ASN 139 1.428 -27.665 20.279 1.00 40.31 ATOM 2278 HA ASN 139 2.296 -27.218 20.746 1.00 31.13 ATOM 2279 CB ASN 139 1.901 -28.612 19.167 1.00 73.11 ATOM 2280 HB1 ASN 139 2.164 -28.029 18.294 1.00 38.14 ATOM 2281 HB2 ASN 139 1.095 -29.283 18.910 1.00 10.31 ATOM 2282 CG ASN 139 3.109 -29.451 19.559 1.00 11.32 ATOM 2283 OD1 ASN 139 3.909 -29.826 18.708 1.00 63.50 ATOM 2284 ND2 ASN 139 3.258 -29.757 20.834 1.00 20.04 ATOM 2285 HD21 ASN 139 2.595 -29.434 21.475 1.00 52.24 ATOM 2286 HD22 ASN 139 4.033 -30.298 21.084 1.00 3.33 ATOM 2287 C ASN 139 0.569 -26.541 19.672 1.00 60.33 ATOM 2288 O ASN 139 1.089 -25.498 19.279 1.00 64.33 ATOM 2289 N ARG 140 -0.745 -26.757 19.589 1.00 2.41 ATOM 2290 HN ARG 140 -1.108 -27.622 19.880 1.00 38.14 ATOM 2291 CA ARG 140 -1.657 -25.728 19.070 1.00 3.25 ATOM 2292 HA ARG 140 -1.271 -25.399 18.114 1.00 64.14 ATOM 2293 CB ARG 140 -3.071 -26.292 18.868 1.00 31.31 ATOM 2294 HB1 ARG 140 -3.700 -25.514 18.457 1.00 38.14 ATOM 2295 HB2 ARG 140 -3.466 -26.589 19.829 1.00 40.30 ATOM 2296 CG ARG 140 -3.134 -27.499 17.937 1.00 13.04 ATOM 2297 HG1 ARG 140 -2.634 -28.331 18.412 1.00 38.14 ATOM 2298 HG2 ARG 140 -2.631 -27.257 17.011 1.00 10.42 ATOM 2299 CD ARG 140 -4.572 -27.898 17.625 1.00 20.12 ATOM 2300 HD1 ARG 140 -5.032 -27.119 17.031 1.00 38.14 ATOM 2301 HD2 ARG 140 -5.113 -28.003 18.555 1.00 43.42 ATOM 2302 NE ARG 140 -4.646 -29.162 16.897 1.00 41.34 ATOM 2303 HE ARG 140 -4.633 -29.985 17.425 1.00 13.32 ATOM 2304 CZ ARG 140 -4.750 -29.260 15.599 1.00 23.44 ATOM 2305 NH1 ARG 140 -4.775 -28.201 14.853 1.00 12.34 ATOM 2306 HH11 ARG 140 -4.715 -27.298 15.266 1.00 10.41 ATOM 2307 HH12 ARG 140 -4.857 -28.293 13.860 1.00 43.44 ATOM 2308 NH2 ARG 140 -4.834 -30.424 15.043 1.00 11.45 ATOM 2309 HH21 ARG 140 -4.820 -31.251 15.601 1.00 13.13 ATOM 2310 HH22 ARG 140 -4.916 -30.491 14.050 1.00 61.02 ATOM 2311 C ARG 140 -1.716 -24.521 20.016 1.00 12.41 ATOM 2312 O ARG 140 -1.754 -23.371 19.576 1.00 54.24 ATOM 2313 N ARG 141 -1.719 -24.799 21.319 1.00 24.11 ATOM 2314 HN ARG 141 -1.695 -25.739 21.602 1.00 38.14 ATOM 2315 CA ARG 141 -1.760 -23.749 22.343 1.00 2.24 ATOM 2316 HA ARG 141 -2.568 -23.076 22.095 1.00 2.22 ATOM 2317 CB ARG 141 -2.038 -24.373 23.721 1.00 31.42 ATOM 2318 HB1 ARG 141 -1.265 -25.099 23.937 1.00 38.14 ATOM 2319 HB2 ARG 141 -2.992 -24.881 23.687 1.00 45.13 ATOM 2320 CG ARG 141 -2.077 -23.363 24.866 1.00 3.21 ATOM 2321 HG1 ARG 141 -2.860 -22.643 24.672 1.00 38.14 ATOM 2322 HG2 ARG 141 -1.125 -22.853 24.918 1.00 52.53 ATOM 2323 CD ARG 141 -2.348 -24.042 26.204 1.00 4.33 ATOM 2324 HD1 ARG 141 -1.586 -24.790 26.374 1.00 38.14 ATOM 2325 HD2 ARG 141 -3.316 -24.520 26.160 1.00 3.44 ATOM 2326 NE ARG 141 -2.340 -23.095 27.317 1.00 2.05 ATOM 2327 HE ARG 141 -2.091 -22.169 27.122 1.00 34.21 ATOM 2328 CZ ARG 141 -2.641 -23.410 28.549 1.00 14.45 ATOM 2329 NH1 ARG 141 -2.988 -24.619 28.858 1.00 41.21 ATOM 2330 HH11 ARG 141 -3.029 -25.324 28.153 1.00 31.51 ATOM 2331 HH12 ARG 141 -3.209 -24.845 29.805 1.00 53.32 ATOM 2332 NH2 ARG 141 -2.601 -22.508 29.472 1.00 1.32 ATOM 2333 HH21 ARG 141 -2.339 -21.574 29.244 1.00 73.41 ATOM 2334 HH22 ARG 141 -2.841 -22.747 30.413 1.00 32.32 ATOM 2335 C ARG 141 -0.445 -22.951 22.384 1.00 71.43 ATOM 2336 O ARG 141 -0.452 -21.726 22.545 1.00 4.54 ATOM 2337 N GLU 142 0.679 -23.656 22.245 1.00 53.24 ATOM 2338 HN GLU 142 0.617 -24.625 22.112 1.00 38.14 ATOM 2339 CA GLU 142 2.003 -23.025 22.285 1.00 64.42 ATOM 2340 HA GLU 142 2.061 -22.451 23.200 1.00 11.31 ATOM 2341 CB GLU 142 3.108 -24.090 22.307 1.00 51.42 ATOM 2342 HB1 GLU 142 4.071 -23.597 22.319 1.00 38.14 ATOM 2343 HB2 GLU 142 3.034 -24.693 21.413 1.00 63.21 ATOM 2344 CG GLU 142 3.033 -25.015 23.513 1.00 22.24 ATOM 2345 HG1 GLU 142 2.117 -25.586 23.456 1.00 38.14 ATOM 2346 HG2 GLU 142 3.019 -24.412 24.411 1.00 22.13 ATOM 2347 CD GLU 142 4.204 -25.977 23.590 1.00 30.14 ATOM 2348 OE1 GLU 142 5.203 -25.650 24.270 1.00 1.32 ATOM 2349 OE2 GLU 142 4.136 -27.061 22.980 1.00 40.13 ATOM 2350 C GLU 142 2.215 -22.076 21.100 1.00 63.50 ATOM 2351 O GLU 142 2.371 -22.508 19.954 1.00 22.42 ATOM 2352 N GLY 143 2.220 -20.780 21.382 1.00 44.12 ATOM 2353 HN GLY 143 2.100 -20.491 22.310 1.00 38.14 ATOM 2354 CA GLY 143 2.400 -19.793 20.333 1.00 42.04 ATOM 2355 HA1 GLY 143 1.468 -19.683 19.799 1.00 38.14 ATOM 2356 HA2 GLY 143 3.153 -20.150 19.646 1.00 33.24 ATOM 2357 C GLY 143 2.829 -18.433 20.859 1.00 71.31 ATOM 2358 O GLY 143 3.700 -18.342 21.726 1.00 62.33 ATOM 2359 N ARG 144 2.214 -17.379 20.333 1.00 72.41 ATOM 2360 HN ARG 144 1.518 -17.526 19.657 1.00 38.14 ATOM 2361 CA ARG 144 2.534 -16.007 20.734 1.00 55.32 ATOM 2362 HA ARG 144 3.573 -15.979 21.033 1.00 14.42 ATOM 2363 CB ARG 144 2.332 -15.060 19.542 1.00 64.34 ATOM 2364 HB1 ARG 144 2.616 -14.059 19.839 1.00 38.14 ATOM 2365 HB2 ARG 144 1.285 -15.061 19.272 1.00 5.32 ATOM 2366 CG ARG 144 3.146 -15.443 18.308 1.00 31.54 ATOM 2367 HG1 ARG 144 2.940 -16.474 18.058 1.00 38.14 ATOM 2368 HG2 ARG 144 4.197 -15.330 18.533 1.00 21.33 ATOM 2369 CD ARG 144 2.805 -14.565 17.108 1.00 71.10 ATOM 2370 HD1 ARG 144 1.748 -14.656 16.898 1.00 38.14 ATOM 2371 HD2 ARG 144 3.368 -14.912 16.253 1.00 44.23 ATOM 2372 NE ARG 144 3.126 -13.158 17.342 1.00 62.01 ATOM 2373 HE ARG 144 4.025 -12.951 17.669 1.00 12.34 ATOM 2374 CZ ARG 144 2.303 -12.165 17.126 1.00 51.45 ATOM 2375 NH1 ARG 144 1.095 -12.385 16.709 1.00 24.55 ATOM 2376 HH11 ARG 144 0.783 -13.319 16.549 1.00 72.13 ATOM 2377 HH12 ARG 144 0.471 -11.619 16.567 1.00 63.02 ATOM 2378 NH2 ARG 144 2.695 -10.950 17.328 1.00 0.02 ATOM 2379 HH21 ARG 144 3.622 -10.775 17.658 1.00 52.14 ATOM 2380 HH22 ARG 144 2.077 -10.188 17.145 1.00 15.12 ATOM 2381 C ARG 144 1.663 -15.555 21.918 1.00 53.45 ATOM 2382 O ARG 144 0.600 -16.126 22.174 1.00 33.35 ATOM 2383 N ARG 145 2.117 -14.530 22.637 1.00 31.20 ATOM 2384 HN ARG 145 2.986 -14.139 22.405 1.00 38.14 ATOM 2385 HA ARG 145 0.715 -14.768 24.134 1.00 13.34 ATOM 2386 CB ARG 145 2.292 -13.540 24.923 1.00 64.32 ATOM 2387 HB1 ARG 145 2.363 -14.361 25.624 1.00 38.14 ATOM 2388 HB2 ARG 145 1.853 -12.695 25.433 1.00 24.42 ATOM 2389 CG ARG 145 3.721 -13.152 24.509 1.00 75.30 ATOM 2390 HG1 ARG 145 4.083 -13.877 23.793 1.00 38.14 ATOM 2391 HG2 ARG 145 4.353 -13.177 25.386 1.00 61.45 ATOM 2392 CD ARG 145 3.810 -11.759 23.893 1.00 4.54 ATOM 2393 HD1 ARG 145 3.075 -11.680 23.106 1.00 38.14 ATOM 2394 HD2 ARG 145 4.798 -11.630 23.473 1.00 12.34 ATOM 2395 NE ARG 145 3.574 -10.702 24.880 1.00 3.14 ATOM 2396 HE ARG 145 3.812 -10.890 25.810 1.00 35.11 ATOM 2397 CZ ARG 145 3.099 -9.518 24.597 1.00 33.44 ATOM 2398 NH1 ARG 145 2.710 -9.234 23.393 1.00 34.15 ATOM 2399 HH11 ARG 145 2.770 -9.925 22.680 1.00 50.14 ATOM 2400 HH12 ARG 145 2.351 -8.326 23.183 1.00 23.02 ATOM 2401 NH2 ARG 145 2.991 -8.630 25.530 1.00 4.44 ATOM 2402 HH21 ARG 145 3.271 -8.852 26.463 1.00 0.53 ATOM 2403 HH22 ARG 145 2.629 -7.724 25.319 1.00 34.34 ATOM 2404 CA ARG 145 1.349 -13.969 23.766 1.00 52.32 ATOM 2405 C ARG 145 0.421 -12.814 23.317 1.00 25.14 ATOM 2406 OT1 ARG 145 0.867 -11.648 23.282 1.00 38.14 ATOM 2407 OT2 ARG 145 -0.750 -13.091 22.971 1.00 38.14 ATOM 2408 OH2 TIP3 1 -3.471 -50.232 -12.088 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -2.513 -50.109 -12.290 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -3.818 -50.731 -12.869 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -7.782 -51.539 -7.089 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -8.106 -52.446 -6.892 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -7.296 -51.285 -6.279 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -4.924 -53.080 -4.607 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -5.439 -52.276 -4.403 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -4.145 -52.746 -5.088 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.380 -50.736 -9.683 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -6.444 -51.009 -9.834 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -7.593 -51.107 -8.796 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -6.391 -55.351 -4.612 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -5.685 -56.005 -4.651 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -5.913 -54.491 -4.499 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 0.729 -54.926 -3.278 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 0.232 -54.148 -3.572 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 1.561 -54.555 -2.907 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 0.653 -59.049 -3.897 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 0.958 -58.405 -4.568 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 1.454 -59.553 -3.675 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -8.426 -53.856 -5.806 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -7.713 -54.448 -5.487 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -9.252 -54.318 -5.554 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -8.347 -52.349 1.218 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -9.259 -52.219 0.891 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -8.190 -51.583 1.782 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -0.933 -59.892 -1.723 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -1.832 -59.581 -1.906 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -0.437 -59.687 -2.539 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -0.947 -57.013 -2.805 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -0.415 -57.711 -3.233 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -0.462 -56.182 -3.010 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.534 -55.374 -4.816 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -9.914 -56.017 -4.392 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -11.246 -55.924 -5.157 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -4.634 -52.992 0.008 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -4.593 -52.299 -0.694 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -4.414 -52.518 0.821 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -7.499 -51.608 -4.305 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -7.979 -52.400 -4.610 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -7.963 -51.343 -3.501 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -8.569 -56.786 -3.649 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.680 -56.486 -2.722 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -7.748 -56.347 -3.946 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -0.908 -49.671 -12.833 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -0.775 -49.204 -13.683 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -0.021 -50.023 -12.614 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -1.490 -49.624 -7.007 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -1.720 -48.709 -7.255 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -0.683 -49.815 -7.536 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -9.668 -48.271 2.048 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -10.385 -48.806 2.450 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -8.867 -48.799 2.205 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -9.018 -55.576 -1.238 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -9.421 -56.181 -0.570 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -8.253 -55.180 -0.769 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -4.030 -55.346 -1.368 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -3.301 -54.938 -1.883 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -4.417 -54.598 -0.885 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -9.850 -57.364 0.643 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -9.251 -57.421 1.420 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -10.172 -58.261 0.529 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -6.237 -57.152 0.428 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -5.873 -57.485 -0.401 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -6.459 -56.218 0.234 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -7.880 -57.739 2.505 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -7.314 -57.943 3.253 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -7.252 -57.610 1.755 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -0.142 -51.837 -4.879 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 0.297 -51.843 -4.001 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -0.066 -50.923 -5.176 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -2.724 -51.769 -5.848 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -1.910 -52.147 -5.454 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -2.393 -51.017 -6.391 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -1.116 -56.447 0.138 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -0.160 -56.245 0.098 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -1.343 -56.689 -0.776 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -0.246 -59.718 0.918 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -0.366 -59.898 -0.043 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 0.693 -59.460 0.996 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -4.992 -48.264 -10.786 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.401 -49.002 -11.041 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -5.859 -48.515 -11.163 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -9.028 -48.199 -1.939 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -9.052 -48.011 -2.909 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -9.439 -49.082 -1.858 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -9.655 -49.597 -6.601 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -9.692 -49.143 -7.468 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -9.042 -50.345 -6.751 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -4.766 -51.384 -9.949 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -4.108 -51.640 -9.295 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -4.237 -51.096 -10.722 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -2.788 -55.442 7.479 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -2.624 -55.512 8.442 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -3.390 -56.184 7.284 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -6.454 -53.869 13.608 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -6.849 -53.004 13.366 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -6.655 -53.963 14.564 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -3.549 -51.116 14.004 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -3.032 -51.946 13.846 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -3.286 -50.842 14.891 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -4.732 -53.416 7.801 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -5.430 -54.094 7.773 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -3.911 -53.914 7.638 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -2.948 -57.923 4.949 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -2.094 -57.948 5.424 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -3.619 -57.857 5.665 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 1.111 -56.628 12.599 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 1.587 -56.314 13.397 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 0.207 -56.830 12.931 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -1.194 -55.222 4.335 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -1.482 -55.285 5.262 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -0.235 -55.026 4.394 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -12.483 -48.420 11.550 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -12.035 -47.967 12.292 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -12.322 -47.832 10.778 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -4.191 -54.379 12.070 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -3.422 -54.084 12.617 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -4.969 -54.188 12.634 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -2.855 -58.840 0.919 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -1.972 -59.268 0.934 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -3.028 -58.679 -0.030 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -14.144 -48.198 8.019 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -14.460 -48.031 7.122 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -14.944 -48.058 8.587 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -5.254 -48.011 18.764 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -6.032 -48.186 18.194 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -5.642 -47.841 19.649 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -11.605 -52.053 8.508 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -11.461 -52.986 8.697 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -11.668 -51.635 9.401 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -2.464 -55.730 10.259 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -3.010 -55.134 10.810 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -2.506 -56.593 10.727 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -3.208 -57.913 -1.694 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -3.676 -57.066 -1.522 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -2.442 -57.649 -2.251 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -9.304 -52.142 15.447 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -8.902 -52.971 15.774 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -8.793 -51.933 14.642 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -0.288 -57.895 6.075 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 0.270 -58.268 5.359 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -0.071 -58.439 6.855 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -0.135 -53.947 17.235 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -0.341 -54.220 16.306 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 0.816 -54.097 17.320 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -6.522 -55.585 7.917 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -6.358 -55.775 8.872 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -7.478 -55.491 7.855 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -12.210 -51.107 10.989 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -12.201 -50.163 11.254 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -13.131 -51.389 11.150 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -14.948 -51.620 10.908 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -15.648 -52.279 10.891 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -14.776 -51.425 9.953 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -10.876 -49.488 15.080 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -10.458 -49.501 15.965 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -10.852 -50.411 14.796 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -14.161 -50.949 8.431 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -13.271 -51.308 8.261 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -14.058 -49.984 8.314 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -7.063 -56.445 12.945 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -7.327 -56.853 13.774 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -6.876 -55.512 13.184 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -1.483 -51.630 17.123 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -0.890 -52.412 17.241 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -0.867 -50.885 16.981 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -10.098 -53.519 -2.675 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -10.424 -53.987 -3.465 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -9.729 -54.232 -2.111 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -11.095 -51.347 5.837 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -10.181 -51.700 5.786 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -11.370 -51.534 6.756 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -11.244 -50.121 3.366 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -11.259 -50.748 2.620 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -11.190 -50.695 4.164 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -4.679 -57.431 7.019 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -4.535 -57.880 7.885 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -5.423 -56.816 7.191 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -5.559 -55.261 17.879 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -4.640 -55.570 17.769 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -5.505 -54.608 18.605 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -6.916 -54.460 0.133 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -6.093 -53.966 -0.059 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -7.481 -53.804 0.599 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -7.259 -53.887 16.223 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -6.870 -54.611 16.766 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -6.791 -53.086 16.533 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -12.777 -48.531 5.119 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -12.663 -48.955 5.979 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -12.296 -49.116 4.499 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -2.768 -55.519 17.547 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -1.987 -55.193 18.025 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -3.008 -54.775 16.950 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 0.528 -55.396 7.134 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 0.348 -55.530 8.082 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 0.234 -56.234 6.716 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 3.069 -59.968 5.423 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 3.742 -59.467 4.921 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 2.224 -59.719 5.000 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -4.260 -58.142 9.616 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -3.584 -58.324 10.294 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -4.832 -57.461 10.023 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -3.342 -53.273 16.082 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.954 -53.505 15.204 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -2.692 -52.644 16.471 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 0.228 -59.130 8.765 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 0.734 -59.929 8.515 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 0.249 -59.139 9.746 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -5.874 -56.065 10.528 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -6.397 -56.354 11.312 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -5.238 -55.416 10.896 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -9.336 -50.115 17.285 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -9.346 -50.921 16.723 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -8.830 -50.387 18.082 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -7.420 -48.104 16.999 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -7.659 -47.243 17.421 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -8.215 -48.663 17.127 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -7.568 -51.366 13.377 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -7.018 -50.792 13.963 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -7.915 -50.760 12.712 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -16.292 -47.797 9.642 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -15.945 -48.209 10.469 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -17.175 -47.501 9.881 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -15.177 -49.026 11.783 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -14.233 -48.774 11.811 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -15.160 -49.990 11.617 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -5.515 -51.961 17.093 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -4.785 -52.356 16.561 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -5.382 -52.343 17.991 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -2.687 -52.381 19.503 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -2.262 -51.974 18.724 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -1.985 -52.953 19.889 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -8.603 -47.974 22.966 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -9.444 -48.453 23.054 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -7.998 -48.434 23.592 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -5.698 -50.388 21.234 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -4.758 -50.417 21.520 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -5.934 -49.436 21.297 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -6.331 -47.724 21.331 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -7.230 -47.783 21.725 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -5.960 -46.917 21.714 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -0.334 -45.638 18.441 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 0.422 -45.516 19.046 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -0.575 -44.732 18.174 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -5.231 -53.115 19.564 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -4.268 -52.879 19.615 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -5.581 -52.853 20.425 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.050 -49.863 26.540 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -4.949 -49.477 27.414 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -4.136 -49.911 26.190 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -8.078 -51.447 22.128 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -7.169 -51.106 22.015 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -8.451 -51.419 21.239 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 2.296 -52.200 22.306 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 3.228 -52.431 22.383 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 2.014 -52.621 21.462 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -10.054 -44.248 -20.611 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -9.115 -44.462 -20.821 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -10.544 -44.574 -21.369 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 2.196 -41.797 -17.211 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 1.984 -41.727 -18.169 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 2.447 -42.730 -17.093 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -2.138 -36.230 -19.610 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -2.633 -36.128 -20.449 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -2.821 -36.110 -18.917 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -0.686 -40.610 -22.067 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -0.281 -41.503 -21.992 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -1.622 -40.763 -21.914 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -5.153 -40.331 -23.016 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -5.405 -39.399 -22.820 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -4.949 -40.326 -23.956 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -0.752 -32.413 -19.372 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -0.751 -32.920 -20.223 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -0.365 -33.044 -18.718 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -6.268 -36.770 -19.893 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -5.454 -36.292 -19.647 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -6.546 -37.206 -19.056 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -5.728 -42.916 -22.119 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -5.594 -42.569 -21.218 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -5.563 -42.147 -22.693 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -9.261 -37.743 -17.165 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -9.602 -37.878 -16.259 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -9.641 -38.488 -17.671 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -3.710 -35.981 -21.866 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -3.265 -35.765 -22.699 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.320 -36.712 -22.101 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -7.190 -33.471 -21.839 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -7.553 -32.586 -21.718 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -7.724 -34.036 -21.226 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -10.340 -40.201 -17.694 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -10.330 -41.142 -17.977 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -11.040 -40.160 -17.029 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -4.520 -33.458 -21.084 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -4.249 -34.395 -21.184 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -5.479 -33.463 -21.284 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -5.794 -37.746 -22.405 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -6.220 -37.060 -22.973 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -6.112 -37.533 -21.499 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -7.031 -35.629 -23.552 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -7.912 -35.660 -23.934 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -7.028 -34.803 -23.023 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -2.932 -33.138 -23.299 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -3.506 -33.084 -22.505 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -3.465 -32.760 -24.003 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.486 -44.811 -21.292 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -6.867 -45.519 -21.098 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -6.934 -44.124 -21.731 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -9.825 -42.822 -18.317 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -8.915 -42.502 -18.517 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -10.071 -43.351 -19.114 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -3.588 -45.064 -17.738 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -2.814 -45.485 -18.158 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -3.823 -45.673 -17.003 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -4.359 -35.909 -17.956 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -5.094 -36.472 -17.632 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -4.210 -35.274 -17.226 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -7.982 -40.714 -16.253 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -7.595 -41.183 -17.020 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -8.782 -40.286 -16.619 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -8.493 -35.165 -20.202 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -7.750 -35.794 -20.089 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -9.176 -35.500 -19.610 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -8.527 -44.565 -16.582 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -9.109 -44.018 -17.148 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -7.657 -44.133 -16.648 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -7.233 -42.121 -18.496 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -6.689 -42.799 -18.039 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -6.620 -41.737 -19.166 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -4.476 -46.617 -15.711 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -5.457 -46.630 -15.733 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -4.257 -46.726 -14.758 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 0.735 -35.802 -22.398 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 0.735 -36.681 -22.831 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 0.659 -36.008 -21.447 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -0.679 -33.524 -21.794 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -1.415 -33.387 -22.429 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -0.215 -34.315 -22.135 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 0.403 -43.100 -21.596 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 0.339 -43.767 -20.877 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 1.109 -43.447 -22.185 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -1.368 -46.301 -12.974 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -2.305 -46.548 -13.135 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -1.387 -45.876 -12.086 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -4.043 -49.069 -16.832 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -4.145 -48.146 -16.523 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -4.735 -49.552 -16.361 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -4.673 -51.361 -14.263 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -4.977 -52.127 -14.755 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -5.334 -50.661 -14.472 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -3.465 -32.018 -18.906 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -2.534 -32.295 -19.013 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -3.942 -32.510 -19.607 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -7.365 -36.612 -10.880 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -6.610 -36.029 -11.015 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -7.688 -36.382 -9.985 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -10.221 -31.005 -6.922 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -10.867 -30.322 -6.713 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -9.358 -30.541 -6.880 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -12.117 -39.254 -7.980 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -12.604 -40.103 -8.103 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -11.875 -38.990 -8.872 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -5.388 -44.449 -10.073 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -5.149 -45.093 -9.380 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -4.561 -44.350 -10.600 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -10.789 -42.867 -3.954 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -9.825 -42.958 -4.129 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -10.919 -41.905 -3.841 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -7.326 -32.549 -7.973 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -6.910 -32.408 -8.857 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -8.228 -32.869 -8.180 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -13.476 -41.593 -8.139 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -13.561 -42.192 -7.363 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -14.119 -41.930 -8.767 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -5.478 -45.784 -6.213 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -6.329 -46.059 -6.606 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -4.827 -45.967 -6.915 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -9.076 -48.660 -9.136 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -9.444 -48.346 -9.989 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -8.541 -49.447 -9.380 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -7.335 -31.512 -4.485 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -8.203 -31.842 -4.164 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -7.566 -30.837 -5.153 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -7.925 -35.456 -8.318 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -7.237 -34.824 -8.054 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -8.761 -34.968 -8.183 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -5.903 -39.197 -15.260 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -6.737 -39.706 -15.359 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -5.870 -38.970 -14.300 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -5.906 -38.783 -12.513 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -6.471 -38.167 -12.020 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -5.935 -39.605 -11.992 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -13.821 -43.071 -5.842 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -13.695 -42.217 -5.374 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -13.780 -43.732 -5.142 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -7.888 -34.966 -3.272 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -8.446 -34.166 -3.342 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -8.289 -35.475 -2.541 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -9.923 -33.477 -8.107 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -10.103 -32.693 -7.536 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -10.671 -33.502 -8.714 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -6.370 -49.320 -14.777 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -6.744 -48.522 -15.209 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -6.760 -49.309 -13.877 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -9.778 -33.989 -0.169 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -10.271 -34.293 0.621 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -9.406 -34.812 -0.546 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -9.163 -47.770 -4.601 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -9.193 -48.515 -5.234 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -9.683 -47.069 -5.037 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -7.239 -46.854 -15.687 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -7.390 -46.497 -14.783 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -7.744 -46.247 -16.267 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -5.989 -41.418 -11.316 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -5.222 -41.664 -11.882 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -6.037 -42.132 -10.662 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -7.989 -40.356 -3.136 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -8.939 -40.297 -2.897 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -7.853 -41.307 -3.329 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -7.729 -45.688 -10.574 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -7.836 -46.022 -9.662 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -6.933 -45.111 -10.520 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -5.741 -43.655 -16.885 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -5.022 -44.203 -17.281 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -5.275 -42.835 -16.581 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -6.255 -44.786 -3.813 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -5.513 -44.997 -3.224 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -6.006 -45.203 -4.669 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -1.889 -30.981 1.410 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -1.084 -30.647 0.951 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -2.622 -30.457 1.013 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -8.057 -42.857 -4.202 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -7.642 -42.578 -5.027 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -7.507 -43.626 -3.906 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -11.009 -46.084 -5.856 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -11.362 -45.709 -5.020 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -10.984 -45.335 -6.459 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -8.551 -40.450 -11.703 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -8.876 -40.938 -12.487 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -7.658 -40.815 -11.547 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -4.550 -41.493 -15.853 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -3.674 -41.387 -15.433 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -5.009 -40.646 -15.662 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -9.535 -32.733 -3.381 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -10.462 -32.991 -3.391 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -9.421 -32.276 -2.517 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -3.822 -42.318 -12.760 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -3.435 -43.087 -12.276 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -3.088 -41.979 -13.305 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -9.241 -37.938 -12.487 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -9.028 -38.826 -12.123 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -8.695 -37.328 -11.955 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -10.705 -40.219 -3.124 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.300 -39.628 -2.645 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -10.715 -39.876 -4.049 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -3.658 -34.132 -12.922 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -3.829 -34.134 -11.966 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -2.766 -33.748 -13.004 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -7.153 -36.962 -6.083 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -7.453 -36.543 -6.909 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -7.429 -37.894 -6.173 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 0.933 -36.306 -10.510 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 1.362 -37.171 -10.695 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -0.026 -36.493 -10.612 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 0.507 -34.335 -17.871 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 1.045 -34.643 -17.128 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 0.529 -35.075 -18.508 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -1.554 -37.188 -11.274 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -2.501 -37.362 -11.312 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -1.186 -37.690 -12.033 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -10.219 -39.032 -14.823 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -9.980 -38.459 -14.061 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -10.105 -39.935 -14.481 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -5.224 -40.762 -5.909 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -4.828 -41.593 -6.193 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -4.482 -40.274 -5.499 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -5.608 -44.032 -14.061 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -5.581 -43.887 -15.023 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -5.013 -43.348 -13.698 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -7.558 -45.662 -13.298 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -7.548 -45.684 -12.320 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -6.825 -45.036 -13.531 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -7.776 -39.690 -5.811 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -7.817 -39.838 -4.845 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -6.893 -40.039 -6.067 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -3.010 -35.415 0.673 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -2.489 -35.093 -0.090 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -3.796 -34.834 0.684 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -3.618 -34.570 -15.603 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -2.749 -34.980 -15.539 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -3.909 -34.478 -14.666 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -8.817 -36.424 -1.048 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -9.417 -37.181 -0.848 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.947 -36.741 -0.785 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -6.552 -37.499 -17.312 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -7.531 -37.503 -17.184 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -6.215 -38.064 -16.580 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -9.294 -41.674 -14.061 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -8.719 -41.412 -14.815 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -9.298 -42.639 -14.091 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -13.222 -40.501 -5.081 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -13.690 -39.903 -5.675 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -12.281 -40.353 -5.287 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -10.151 -46.217 -13.959 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -9.241 -45.886 -13.809 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -10.306 -46.063 -14.897 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -6.520 -36.314 4.259 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -7.291 -36.880 4.036 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -6.682 -36.049 5.176 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -11.975 -45.244 -3.455 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -11.472 -45.530 -2.661 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -11.664 -44.324 -3.613 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -12.706 -47.863 -4.417 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -12.793 -47.101 -3.822 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -12.202 -47.516 -5.172 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -10.611 -39.693 -5.775 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -9.655 -39.703 -5.995 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -11.048 -39.419 -6.616 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -11.173 -50.178 -4.365 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -10.704 -50.042 -5.214 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -11.840 -49.460 -4.344 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -10.244 -42.961 -1.149 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -10.107 -43.924 -1.260 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -10.549 -42.666 -2.022 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -9.992 -50.868 -2.051 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.467 -50.544 -2.856 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -9.958 -51.845 -2.177 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -10.891 -45.980 1.286 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -11.675 -46.106 1.866 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -10.341 -46.778 1.459 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -3.870 -47.398 -13.163 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -4.314 -47.212 -12.315 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -3.856 -48.366 -13.213 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -4.814 -30.499 -7.726 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -4.705 -30.920 -8.590 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -3.922 -30.531 -7.331 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -13.628 -36.031 2.423 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -14.330 -35.850 1.794 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -12.842 -35.604 2.036 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -6.256 -31.522 -0.765 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -5.754 -31.529 -1.607 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -6.332 -30.568 -0.542 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -9.037 -28.801 -1.375 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -9.125 -29.775 -1.291 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.902 -28.464 -1.134 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -4.099 -33.965 -2.702 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -3.235 -34.153 -2.287 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -4.495 -34.844 -2.838 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -7.249 -46.875 -8.107 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -7.932 -47.561 -8.267 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -6.413 -47.310 -8.343 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -4.330 -46.727 -8.607 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -3.392 -46.885 -8.373 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -4.485 -47.312 -9.384 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.412 -47.622 -11.660 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.915 -46.835 -11.351 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.905 -47.299 -12.445 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -7.316 -49.325 -12.094 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -8.134 -48.783 -12.036 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -7.423 -49.993 -11.385 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -5.958 -32.107 -10.276 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -5.216 -32.723 -10.037 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -5.768 -31.853 -11.185 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -10.889 -51.402 0.567 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -11.690 -51.868 0.304 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -10.548 -51.020 -0.272 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -7.748 -40.983 5.168 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -6.988 -41.610 5.231 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -8.469 -41.524 4.775 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -9.799 -39.786 13.071 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -10.541 -40.149 13.607 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -9.638 -40.480 12.393 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -6.408 -37.597 9.107 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -6.650 -38.448 8.704 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -7.252 -37.244 9.442 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -8.886 -36.374 9.727 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -8.538 -35.463 9.853 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.843 -36.251 9.651 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -9.315 -37.096 12.645 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -9.126 -37.035 11.694 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -9.497 -38.055 12.792 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -10.627 -44.662 10.583 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -10.751 -44.552 9.619 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -11.338 -45.267 10.842 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -9.805 -41.895 11.207 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -9.640 -41.722 10.262 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -10.106 -42.819 11.229 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -8.732 -37.226 6.895 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.670 -36.702 7.712 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -8.524 -38.144 7.187 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.892 -35.305 14.139 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.349 -35.779 13.478 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -11.155 -35.991 14.762 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -5.392 -33.085 16.148 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -5.850 -33.635 16.813 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -5.106 -33.730 15.460 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.952 -44.791 14.157 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -9.859 -44.525 13.235 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -10.376 -45.669 14.110 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -4.486 -36.025 10.478 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -5.064 -36.549 9.885 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -4.240 -36.647 11.179 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -8.418 -38.319 4.355 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -8.707 -37.932 5.208 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -8.259 -39.263 4.563 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -5.152 -38.616 3.404 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -5.690 -39.245 3.900 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -5.529 -37.744 3.635 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -4.982 -34.983 14.142 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -5.888 -35.366 14.193 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -4.424 -35.730 13.864 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -7.997 -33.887 12.640 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -7.847 -34.688 13.175 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -7.923 -33.157 13.283 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -10.398 -33.981 8.169 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -9.624 -33.821 8.747 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -10.964 -33.217 8.317 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -11.751 -34.212 17.966 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -11.473 -35.063 18.350 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -11.380 -33.543 18.569 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -2.266 -33.121 3.054 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -3.226 -33.166 3.218 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -2.165 -32.386 2.408 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -2.966 -30.848 5.619 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -3.636 -31.330 6.110 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -2.804 -30.043 6.160 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -12.198 -46.781 9.359 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -11.862 -46.155 8.691 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -12.855 -47.325 8.869 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -6.161 -49.875 15.165 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -6.555 -49.137 15.678 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -5.851 -50.500 15.849 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -3.733 -39.920 1.414 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -3.929 -40.859 1.601 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -4.239 -39.430 2.099 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -11.029 -44.725 7.817 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -10.484 -45.115 7.107 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -11.373 -43.899 7.422 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -6.429 -40.455 18.466 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -5.986 -40.167 17.658 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -5.749 -40.358 19.162 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -9.402 -41.913 8.459 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -8.993 -42.787 8.424 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -10.138 -41.967 7.812 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -10.262 -45.741 -1.349 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -10.539 -45.840 -0.411 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -9.747 -46.557 -1.533 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -11.506 -41.076 14.749 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -10.871 -41.735 15.104 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -12.058 -40.851 15.500 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -8.449 -46.394 9.986 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -9.282 -45.927 10.173 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -8.684 -47.040 9.288 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -9.736 -42.730 4.207 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.666 -43.661 4.489 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -9.962 -42.786 3.243 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -10.351 -43.274 1.600 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -10.602 -44.215 1.503 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -10.311 -42.943 0.677 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -6.201 -46.120 11.477 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -7.068 -46.052 11.014 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -6.398 -45.863 12.395 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -11.276 -42.294 6.448 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -12.066 -41.796 6.197 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -10.760 -42.361 5.612 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -6.249 -46.648 14.248 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -7.039 -46.602 14.801 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -5.513 -46.773 14.894 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -12.244 -37.450 4.343 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -11.948 -36.755 4.967 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -12.946 -37.015 3.814 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -8.787 -39.021 18.356 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -8.926 -39.208 17.400 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -7.940 -39.465 18.560 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -7.948 -39.704 7.679 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -8.442 -40.382 8.189 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -7.711 -40.161 6.846 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -11.652 -33.036 15.481 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -11.455 -33.766 14.848 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -11.946 -33.502 16.297 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -7.548 -35.922 14.437 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -8.072 -35.784 15.257 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -8.109 -36.517 13.893 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -4.369 -47.068 16.206 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -3.435 -47.340 16.228 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -4.699 -47.277 17.099 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.903 -35.673 5.968 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -10.174 -36.277 6.198 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -10.878 -34.994 6.672 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -9.532 -42.625 15.867 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -9.613 -43.462 15.353 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -9.046 -42.885 16.676 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -12.823 -46.633 3.110 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -13.736 -46.738 2.831 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -12.743 -47.219 3.892 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -10.528 -31.956 19.224 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -10.352 -31.013 19.422 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.869 -32.319 20.073 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -10.957 -35.241 2.001 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -10.695 -36.186 2.041 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -10.886 -34.937 2.916 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -10.222 -36.624 18.621 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -9.783 -36.129 17.901 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -9.795 -37.506 18.596 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -1.649 -34.494 -1.539 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -1.129 -35.330 -1.545 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -0.999 -33.809 -1.738 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -10.404 -37.953 2.429 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -9.629 -38.138 2.999 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -11.169 -37.976 3.054 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -10.166 -38.672 -0.218 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -10.274 -39.631 -0.237 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -10.289 -38.434 0.729 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -8.744 -39.943 15.733 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -8.948 -40.898 15.801 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -8.947 -39.723 14.806 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -11.453 -47.183 13.802 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -11.134 -48.024 14.215 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -12.271 -46.986 14.274 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -8.032 -42.800 18.282 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -8.379 -42.760 19.197 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -7.446 -42.022 18.221 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -7.882 -45.716 18.293 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -7.862 -44.786 18.010 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -7.932 -45.663 19.272 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -8.869 -35.133 16.749 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -8.077 -35.015 17.322 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -9.230 -34.231 16.658 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -7.822 -30.657 12.372 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -8.635 -30.140 12.467 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -7.733 -31.122 13.234 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -4.669 -34.437 3.229 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -5.430 -35.004 3.467 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -4.926 -34.036 2.368 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -7.334 -50.864 19.048 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -6.716 -50.674 19.784 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -6.757 -51.162 18.325 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -8.895 -41.884 28.994 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -9.601 -41.520 29.533 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -8.180 -41.216 29.054 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -7.150 -39.791 29.449 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -6.521 -39.842 28.685 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -6.588 -39.584 30.202 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -10.577 -33.000 25.920 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -9.627 -32.808 25.761 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -10.580 -33.509 26.735 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -2.785 -30.348 25.490 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -1.810 -30.357 25.386 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -3.067 -31.184 25.105 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -1.818 -42.835 29.038 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -0.971 -42.484 29.394 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -1.582 -43.705 28.674 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -9.156 -44.399 27.911 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -8.237 -44.677 27.759 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -9.074 -43.487 28.270 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -11.495 -47.061 24.578 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -11.389 -46.683 25.475 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -11.435 -46.286 23.984 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -5.146 -37.761 25.424 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -6.100 -37.584 25.241 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -4.778 -38.008 24.555 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -4.334 -44.882 26.505 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -5.023 -45.135 27.159 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -3.496 -44.946 27.000 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -6.639 -32.578 31.830 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -6.812 -33.232 31.114 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -6.903 -33.035 32.632 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -7.120 -34.470 29.949 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -7.306 -35.363 29.634 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -6.947 -33.959 29.130 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -8.523 -42.286 20.969 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -8.046 -42.340 21.827 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -8.920 -41.390 20.975 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -6.416 -33.514 27.545 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -6.139 -34.437 27.357 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -7.031 -33.291 26.807 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -2.552 -48.335 19.808 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -3.385 -48.256 19.307 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -2.769 -48.955 20.533 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -7.842 -29.925 24.596 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -7.048 -29.571 24.132 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -8.314 -29.134 24.890 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -7.960 -44.975 20.978 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -8.199 -44.032 20.894 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -8.119 -45.175 21.922 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -6.530 -45.623 28.044 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -6.683 -45.850 28.966 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -6.994 -46.338 27.540 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -9.312 -50.033 27.198 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -9.255 -50.395 26.289 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -9.524 -50.795 27.742 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -12.094 -43.685 25.511 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -11.932 -44.463 26.088 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -11.871 -42.931 26.064 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -7.846 -47.691 26.942 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -7.509 -48.008 26.082 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -8.483 -48.384 27.214 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -11.299 -45.819 27.061 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -11.434 -46.454 27.772 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -10.474 -45.337 27.322 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -7.813 -37.477 25.151 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -8.125 -38.297 24.702 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -8.200 -37.533 26.050 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -8.007 -37.441 27.979 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -7.774 -38.254 28.460 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -7.150 -36.988 27.843 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -12.168 -32.433 23.779 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -11.536 -32.716 24.481 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -12.778 -31.849 24.236 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -9.315 -34.247 22.210 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -8.874 -33.371 22.321 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -10.211 -34.020 21.897 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -11.747 -33.324 21.281 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -11.881 -32.928 22.179 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -12.501 -33.915 21.171 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -7.450 -34.923 24.122 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -7.585 -35.822 24.491 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -8.120 -34.854 23.411 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -11.255 -44.729 23.165 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -11.616 -44.251 23.950 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -11.544 -44.200 22.414 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -9.112 -51.055 24.615 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -9.923 -50.586 24.310 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -8.726 -51.423 23.786 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -7.916 -32.564 25.515 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -7.765 -31.689 25.095 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -7.629 -33.216 24.835 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -5.606 -36.169 27.590 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -5.221 -36.730 26.883 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -4.823 -35.854 28.102 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -3.071 -30.682 28.983 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -3.965 -30.841 28.617 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -2.568 -31.481 28.743 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -8.308 -31.727 22.499 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -7.687 -31.203 21.954 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -8.493 -31.150 23.262 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -9.843 -36.938 21.324 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -9.598 -36.084 21.726 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -10.061 -36.712 20.398 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -8.280 -39.767 23.652 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -8.092 -40.719 23.688 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -8.666 -39.635 22.766 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -9.340 -39.602 21.053 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -9.584 -38.689 21.341 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -9.293 -39.533 20.080 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -9.972 -29.153 19.362 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -10.600 -28.436 19.211 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -9.428 -28.838 20.122 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.550 -33.173 28.320 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -0.815 -33.314 28.934 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.185 -33.433 27.450 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 1.052 -37.819 29.011 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 1.739 -38.279 29.527 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 1.331 -37.947 28.081 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -5.431 -39.598 27.445 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -4.590 -40.103 27.495 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -5.282 -38.960 26.720 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -5.948 -30.010 30.959 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -5.827 -30.327 30.040 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -6.170 -30.825 31.462 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -11.197 -49.572 23.728 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -12.084 -49.941 23.690 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -11.334 -48.648 24.056 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -3.982 -45.355 23.824 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.641 -46.269 23.832 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -4.184 -45.168 24.764 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -2.598 -47.774 24.010 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -2.580 -48.415 24.749 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -1.699 -47.385 24.010 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -7.050 -49.250 24.809 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -6.282 -49.526 25.361 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -7.652 -50.021 24.835 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -3.150 -49.781 22.147 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -2.506 -50.396 22.554 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -3.124 -48.993 22.729 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -8.617 -45.318 23.628 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -8.613 -46.293 23.532 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -9.560 -45.072 23.529 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -5.942 -30.531 18.916 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -6.183 -30.276 19.835 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -6.754 -30.343 18.396 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -1.202 -29.810 -20.027 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -1.176 -30.745 -19.720 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -1.041 -29.870 -20.977 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 4.028 -15.264 -18.769 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 4.836 -15.750 -18.508 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 3.466 -15.952 -19.185 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.071 -24.329 -16.671 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -2.787 -24.827 -15.869 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -2.303 -24.392 -17.276 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 2.933 -9.411 -18.122 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 2.211 -8.905 -17.694 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 3.656 -8.764 -18.209 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -0.641 -17.568 -20.741 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -1.605 -17.653 -20.546 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -0.220 -18.242 -20.162 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -2.826 -24.594 -20.632 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -3.101 -25.178 -19.888 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -3.004 -25.116 -21.417 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -3.480 -26.369 -18.679 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.449 -27.303 -18.389 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -3.662 -25.871 -17.863 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -4.062 -20.600 -19.402 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -4.754 -21.265 -19.506 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -3.280 -20.995 -19.854 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -3.211 -18.017 -19.960 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -3.648 -18.888 -19.904 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -3.548 -17.530 -19.186 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -5.550 -11.466 -18.932 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -5.077 -10.800 -19.470 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.471 -11.372 -19.194 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.531 -16.770 -17.496 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -3.911 -16.178 -16.807 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -2.679 -16.368 -17.704 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.022 -21.995 -20.559 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.362 -22.912 -20.682 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -1.261 -22.105 -19.963 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -0.749 -24.748 -18.075 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -0.400 -25.440 -17.456 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -0.834 -25.217 -18.923 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -3.320 -31.872 -16.191 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -3.551 -32.782 -15.925 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -3.444 -31.871 -17.162 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -3.034 -29.080 -18.013 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -3.567 -29.891 -17.990 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -2.416 -29.224 -18.756 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -4.388 -12.392 -16.631 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.901 -12.185 -17.444 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.926 -11.572 -16.432 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -3.946 -19.012 -10.283 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -3.755 -19.907 -9.939 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -4.061 -18.468 -9.479 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -3.951 -17.431 -8.001 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -2.974 -17.535 -8.106 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -4.076 -17.348 -7.049 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -1.987 -25.128 -9.045 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -2.575 -25.132 -9.828 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -2.367 -25.823 -8.455 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -0.126 -25.751 -3.058 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -0.677 -24.940 -3.041 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -0.008 -25.984 -2.115 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -3.154 -29.509 -4.251 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -2.823 -29.911 -5.086 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -3.716 -30.213 -3.855 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -6.436 -28.825 -0.548 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -7.358 -28.662 -0.859 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -5.875 -28.409 -1.233 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -6.124 -16.316 -9.433 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -6.803 -16.098 -8.791 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -5.373 -16.634 -8.893 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -0.030 -22.155 -5.854 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -0.473 -22.289 -6.716 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 0.346 -21.263 -5.920 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -2.973 -19.857 -12.822 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -2.226 -19.306 -12.504 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -3.647 -19.756 -12.133 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -6.352 -19.808 -12.824 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -6.092 -18.887 -12.594 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -7.315 -19.791 -12.804 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -1.501 -30.842 -14.439 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -1.199 -31.629 -13.958 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -2.168 -31.191 -15.073 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -3.125 -8.841 -16.362 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -2.236 -9.099 -16.649 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -3.183 -9.158 -15.438 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -9.009 -31.527 -0.981 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -8.033 -31.602 -0.890 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -9.352 -32.336 -0.532 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -2.253 -27.161 0.559 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -2.760 -27.980 0.400 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -2.624 -26.809 1.396 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -4.343 -19.342 -16.964 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -4.295 -19.754 -17.851 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -4.142 -18.396 -17.129 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -5.128 -22.034 -11.569 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -5.576 -22.813 -11.962 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -5.507 -21.271 -12.052 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.896 -31.399 -3.203 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -5.730 -31.449 -3.723 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -4.578 -32.331 -3.169 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -5.286 -23.694 -15.134 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -5.303 -22.711 -15.164 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -4.616 -23.940 -15.804 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -5.095 -20.996 -14.976 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -5.516 -20.487 -14.254 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -4.957 -20.331 -15.692 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -1.235 -15.140 -15.438 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -1.168 -15.818 -14.755 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -2.201 -14.934 -15.476 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -5.915 -15.477 -13.851 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -5.711 -16.181 -13.198 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -6.872 -15.411 -13.835 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -5.593 -17.371 -11.855 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.881 -17.915 -11.463 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -5.934 -16.847 -11.093 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -4.288 -28.042 -2.186 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -3.949 -27.143 -2.255 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -3.941 -28.493 -2.986 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -3.691 -21.649 -9.312 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -4.196 -21.796 -10.151 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -4.289 -21.958 -8.622 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -3.921 -14.849 -15.586 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -4.618 -15.024 -14.910 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -4.149 -13.957 -15.938 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -3.568 -24.672 -11.353 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -4.456 -24.870 -11.711 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -3.532 -23.707 -11.337 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -6.038 -24.423 -12.662 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -6.825 -24.970 -12.749 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -5.787 -24.210 -13.598 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -1.138 -22.565 -8.642 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -1.391 -23.511 -8.772 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -1.948 -22.069 -8.890 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -2.861 -27.041 -7.307 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -3.416 -27.829 -7.310 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -2.376 -27.093 -6.453 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -1.379 -23.315 -3.675 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -2.216 -22.877 -3.494 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -1.032 -22.855 -4.465 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -2.058 -28.328 -15.429 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -2.485 -28.638 -16.255 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -1.816 -29.160 -14.959 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -0.654 -25.942 3.808 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -1.578 -26.070 3.501 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -0.168 -26.704 3.427 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 0.110 -22.311 -18.805 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -0.226 -23.193 -18.506 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 0.982 -22.519 -19.221 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -3.796 -29.446 0.180 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -3.825 -29.226 -0.773 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -4.715 -29.312 0.477 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -2.162 -30.600 -6.604 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -1.193 -30.571 -6.476 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -2.295 -31.374 -7.215 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -7.584 -30.112 -6.840 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -6.741 -29.656 -7.013 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -7.466 -30.991 -7.265 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 0.454 -13.037 -14.826 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -0.159 -13.762 -15.066 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -0.125 -12.365 -14.401 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -4.781 -33.244 0.784 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -4.033 -32.662 0.596 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -5.526 -32.841 0.283 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -4.638 -26.383 12.654 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -5.008 -26.700 11.825 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -5.129 -25.546 12.834 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -2.350 -28.637 7.128 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -2.935 -28.607 7.900 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -2.090 -27.692 6.984 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -1.941 -32.109 12.261 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -1.513 -32.041 11.380 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -2.775 -32.587 12.085 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -8.294 -33.706 9.985 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -7.528 -33.131 9.789 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -8.297 -33.766 10.973 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -3.620 -16.649 15.790 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -4.267 -17.203 15.296 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -3.021 -17.308 16.211 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -0.650 -20.392 15.455 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 0.238 -20.605 15.088 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -0.868 -21.172 16.017 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -4.984 -23.605 16.940 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -5.802 -24.159 16.904 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -5.251 -22.758 16.528 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -0.834 -30.379 3.969 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -1.618 -30.576 4.535 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -1.142 -30.578 3.062 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -1.216 -15.484 18.799 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -2.185 -15.524 18.642 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -0.836 -15.315 17.910 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -7.580 -32.102 14.697 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -8.281 -32.132 15.381 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.772 -32.372 15.176 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -9.065 -23.711 18.376 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -8.686 -23.369 19.213 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -9.884 -24.178 18.659 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -10.774 -17.939 8.426 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -11.471 -17.292 8.533 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -9.965 -17.439 8.532 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -4.857 -18.796 14.667 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -5.335 -19.559 15.034 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -4.077 -19.194 14.221 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -5.318 -29.591 12.376 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -6.259 -29.841 12.253 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -4.934 -29.657 11.487 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -4.472 -12.881 17.953 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -5.277 -12.390 18.152 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -3.773 -12.423 18.483 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -6.011 -24.135 13.267 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -6.772 -24.202 13.857 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -5.684 -23.236 13.401 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -2.625 -19.988 13.601 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -2.382 -20.544 12.856 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -1.901 -20.123 14.246 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -4.578 -24.139 3.706 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -3.987 -23.708 4.366 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -5.397 -23.637 3.760 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -2.430 -14.626 14.438 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -2.675 -14.710 13.511 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -2.912 -15.365 14.884 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -7.987 -27.623 16.235 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -8.477 -27.838 15.415 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.948 -28.474 16.718 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.675 -21.829 16.376 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -8.793 -22.498 17.085 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -9.544 -21.755 15.974 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -2.107 -25.335 13.208 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -2.952 -25.767 12.973 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -2.259 -24.991 14.114 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -6.010 -21.137 16.028 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -5.812 -20.757 16.912 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -6.980 -21.306 16.053 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -5.294 -22.920 19.662 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -5.034 -23.381 18.841 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -5.324 -21.976 19.400 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -5.518 -20.359 18.620 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -6.296 -20.068 19.121 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -4.757 -19.983 19.124 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -11.344 -30.352 15.064 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -11.521 -31.303 14.902 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -11.754 -30.180 15.917 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -11.321 -24.877 19.437 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -11.103 -25.426 20.225 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -12.204 -24.545 19.620 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -9.734 -28.348 14.191 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -10.262 -29.128 14.479 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -10.395 -27.711 13.905 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -9.385 -32.357 16.780 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -9.709 -32.285 17.711 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -10.209 -32.461 16.251 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -8.178 -30.012 17.506 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -8.869 -29.664 18.114 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -8.591 -30.801 17.103 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -2.570 -12.338 15.961 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -2.531 -13.075 15.317 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -3.301 -12.582 16.559 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -2.235 -18.728 16.885 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -2.859 -19.341 17.302 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -1.716 -19.295 16.269 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -0.634 -23.486 6.936 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 0.030 -23.438 6.217 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -0.204 -23.024 7.693 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 0.689 -22.304 9.086 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 1.646 -22.483 9.074 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 0.521 -21.975 9.993 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -2.940 -22.893 5.525 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -2.715 -21.960 5.478 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -2.253 -23.274 6.114 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 0.110 -24.412 11.869 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -0.069 -24.647 10.953 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -0.667 -24.762 12.364 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -3.760 -19.271 20.354 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -3.712 -18.310 20.509 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -3.851 -19.651 21.245 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -3.249 -26.395 2.996 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -3.740 -25.551 3.158 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -3.716 -27.045 3.534 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -1.432 -26.147 6.537 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -1.226 -25.264 6.899 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -1.121 -26.102 5.614 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -2.632 -24.494 15.776 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -3.515 -24.248 16.120 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -2.042 -23.793 16.118 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 0.230 -29.420 6.399 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -0.604 -29.108 6.802 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -0.039 -29.739 5.519 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 0.220 -29.496 0.464 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 0.235 -28.756 -0.160 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 0.453 -29.085 1.323 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -4.081 -30.305 9.450 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.831 -30.923 9.569 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -3.311 -30.808 9.735 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -4.321 -33.586 11.755 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -4.303 -34.364 11.149 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -4.613 -33.958 12.610 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -6.107 -31.935 10.448 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -6.735 -31.600 11.119 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -5.517 -32.541 10.950 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -3.906 -15.536 18.279 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -4.183 -14.601 18.153 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -3.944 -15.921 17.374 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -2.044 -17.871 25.562 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -1.979 -16.908 25.376 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -2.017 -18.286 24.680 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -5.798 -19.181 31.148 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -6.391 -19.289 31.920 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -5.971 -19.973 30.602 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -3.803 -19.642 28.997 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -3.357 -19.640 29.869 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -4.595 -20.209 29.135 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -6.467 -23.972 28.676 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -7.107 -24.623 29.021 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -5.902 -24.494 28.074 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -4.558 -28.243 25.771 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -3.939 -29.009 25.820 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -4.991 -28.349 24.890 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -4.323 -22.814 31.652 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -4.972 -23.453 32.016 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -3.884 -22.440 32.444 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -4.545 -15.450 29.556 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -4.742 -15.999 30.338 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -4.396 -16.102 28.833 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -2.681 -27.283 27.836 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -3.336 -27.678 27.233 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -2.951 -27.601 28.725 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -5.804 -16.953 25.468 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -5.273 -16.773 26.269 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -5.465 -16.315 24.805 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -3.972 -17.281 27.567 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -3.284 -17.448 26.891 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -3.971 -18.096 28.111 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -8.809 -19.717 37.847 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -9.669 -19.732 38.275 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -8.376 -18.906 38.208 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -7.831 -22.799 20.742 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -7.670 -21.894 21.085 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -6.968 -23.064 20.369 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -7.228 -25.084 16.909 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -7.557 -25.995 16.726 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -7.952 -24.667 17.426 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -5.327 -19.638 25.335 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -5.763 -20.001 26.111 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -5.512 -18.672 25.384 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -7.362 -20.836 35.862 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -7.759 -21.712 35.867 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -7.819 -20.362 36.600 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -6.686 -20.287 21.350 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -5.954 -20.238 21.993 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -6.839 -19.358 21.092 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -0.933 -17.590 20.674 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -1.233 -16.896 20.053 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -0.435 -17.095 21.361 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -5.189 -15.404 23.218 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -5.179 -14.426 23.175 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -4.719 -15.687 22.406 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -7.390 -17.004 22.997 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -6.650 -16.361 23.070 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -7.466 -17.373 23.889 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -3.792 -25.155 33.806 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -4.698 -24.967 33.477 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -3.928 -25.501 34.691 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -8.722 -25.630 32.024 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -9.679 -25.692 32.079 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -8.531 -25.678 31.062 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -4.297 -20.270 22.924 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -4.701 -20.064 23.805 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -3.364 -19.973 23.018 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -10.635 -26.271 21.664 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -10.126 -27.101 21.622 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -10.022 -25.640 22.097 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -5.751 -24.803 24.392 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -5.587 -23.994 23.856 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -5.826 -25.514 23.726 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -5.143 -25.710 26.869 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -5.374 -25.208 26.056 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -4.935 -26.606 26.540 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -7.087 -19.326 33.542 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -6.922 -18.436 33.901 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -7.432 -19.833 34.307 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.844 -26.242 29.484 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -7.170 -26.703 30.023 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -7.952 -26.820 28.696 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -5.713 -21.517 29.658 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -5.198 -21.981 30.351 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -6.165 -22.246 29.173 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -5.227 -17.381 34.526 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -4.699 -18.166 34.743 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -4.869 -17.081 33.662 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -5.072 -22.947 22.452 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -4.827 -22.022 22.645 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -5.080 -22.993 21.475 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -1.968 -15.063 25.049 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -1.617 -14.583 24.274 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -2.770 -14.557 25.297 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -4.274 -17.070 31.912 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -3.355 -17.231 31.616 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -4.780 -17.843 31.563 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -6.546 -16.272 36.649 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -6.040 -16.723 35.937 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -6.669 -15.379 36.320 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -7.115 -17.703 20.406 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -7.915 -17.497 19.908 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.327 -17.423 21.332 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -1.728 -19.292 22.885 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -1.525 -18.735 22.106 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -1.222 -20.115 22.730 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -6.399 -27.383 31.532 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -7.211 -27.337 32.060 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -6.266 -28.349 31.378 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -8.075 -26.557 24.984 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -7.369 -25.903 25.120 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -8.621 -26.167 24.282 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -8.530 -28.038 21.429 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -8.032 -27.252 21.700 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -7.863 -28.771 21.481 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -6.136 -24.779 32.536 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -5.969 -25.610 32.043 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -7.112 -24.731 32.585 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -5.088 -13.084 28.318 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -5.053 -12.444 29.032 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -4.973 -13.951 28.765 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -4.548 -16.569 20.724 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -5.402 -17.001 20.523 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -4.268 -16.181 19.866 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -7.692 -17.450 38.812 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -7.292 -17.029 38.015 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -7.260 -17.015 39.550 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -2.096 -14.815 30.684 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -2.985 -14.880 30.280 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -1.871 -15.740 30.908 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -1.699 -17.525 30.917 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -1.748 -18.497 31.021 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -0.907 -17.384 30.345 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -4.805 -20.245 34.798 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -5.431 -19.974 34.098 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -5.384 -20.548 35.523 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -2.756 -21.412 33.458 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -2.194 -21.872 34.093 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -3.417 -20.939 34.017 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -4.033 -13.262 25.811 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -3.281 -12.619 25.841 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -4.422 -13.217 26.715 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -3.482 -28.302 30.324 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -3.186 -29.175 29.972 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -4.345 -28.493 30.727 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -7.588 -27.951 27.309 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -6.674 -28.150 27.073 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -7.933 -27.459 26.534 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -5.784 -31.000 28.372 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -5.915 -31.947 28.136 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -6.477 -30.539 27.881 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -6.085 -26.490 22.258 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -5.980 -27.395 22.658 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -5.298 -26.384 21.711 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -8.396 -24.952 22.512 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -8.326 -24.106 22.022 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -7.514 -25.360 22.409 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 0.617 -9.657 -24.118 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -0.134 -9.059 -23.914 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 1.024 -9.263 -24.918 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -2.893 -7.451 -21.869 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.233 -7.750 -22.525 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -3.160 -6.562 -22.195 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 0.001 0.772 -21.944 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -0.560 1.460 -22.353 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -0.604 0.303 -21.338 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -0.052 -4.265 -22.659 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -0.648 -3.609 -23.075 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 0.136 -4.900 -23.376 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -3.051 -4.908 -23.007 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -3.086 -4.250 -22.284 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -2.650 -4.421 -23.743 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -3.349 3.079 -16.581 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -2.853 3.817 -16.154 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -3.992 2.793 -15.893 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -2.158 -7.350 -19.259 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -3.044 -7.253 -18.848 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -2.345 -7.381 -20.223 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -5.334 2.594 -20.464 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -4.692 3.209 -20.032 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -6.160 2.751 -19.996 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -1.650 -2.517 -24.033 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -2.129 -1.923 -23.442 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -1.055 -1.926 -24.540 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -1.140 -1.156 -16.831 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -1.036 -0.823 -15.925 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -1.745 -0.505 -17.255 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -0.977 -9.484 -18.102 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -1.361 -8.670 -18.513 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -1.453 -10.219 -18.542 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -2.901 0.649 -17.895 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -3.703 0.225 -17.505 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -2.936 1.571 -17.562 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -4.654 -7.574 -18.207 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -5.177 -6.856 -17.783 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -4.228 -8.038 -17.448 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -3.149 -2.708 -21.296 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -2.749 -1.885 -20.948 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -4.080 -2.636 -21.061 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -4.900 -7.544 -13.394 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -5.484 -7.325 -12.643 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -4.815 -6.711 -13.878 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -1.297 7.058 -19.613 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -1.494 8.011 -19.669 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -0.449 7.017 -19.132 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -3.542 4.194 -19.200 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -3.439 3.899 -18.273 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -3.045 5.023 -19.244 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -0.017 -0.690 -13.755 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -0.425 0.137 -14.109 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 0.914 -0.432 -13.565 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 0.058 -0.759 -25.419 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 0.385 -0.815 -26.345 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -0.472 0.075 -25.405 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -2.274 -0.180 -20.474 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -2.882 0.342 -21.040 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -2.479 0.121 -19.559 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 0.577 -5.786 -24.883 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 0.567 -5.315 -25.733 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 1.527 -5.980 -24.734 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -1.244 -7.639 -24.085 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -2.015 -7.362 -24.593 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -0.561 -6.964 -24.300 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -4.106 -9.452 -20.243 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -4.433 -8.821 -19.562 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -3.814 -8.874 -20.978 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -3.991 1.107 -22.232 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -4.638 0.814 -22.884 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -4.526 1.627 -21.577 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -4.439 -1.229 -10.970 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.400 -1.979 -10.349 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -3.651 -1.348 -11.537 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -4.714 -1.708 -14.177 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -5.212 -1.044 -13.658 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -3.847 -1.766 -13.718 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.612 -9.878 -13.835 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -4.303 -10.542 -13.724 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -4.067 -9.020 -13.635 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -1.022 1.507 -14.956 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -1.787 2.010 -15.269 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -0.268 2.126 -15.069 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -5.010 -0.407 -16.572 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -4.856 -1.000 -15.805 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -5.740 0.153 -16.292 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -5.848 -5.611 -16.671 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.755 -5.299 -16.630 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.431 -5.245 -15.865 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -4.807 -4.475 -14.366 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -5.000 -4.619 -13.405 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -4.893 -3.504 -14.479 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -4.983 2.329 -14.463 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.418 3.059 -14.014 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -5.133 1.561 -13.873 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 1.114 3.222 -15.362 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 1.849 3.465 -14.750 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 0.819 4.079 -15.728 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -5.818 0.353 -12.647 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -6.705 0.428 -12.278 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -5.300 -0.101 -11.935 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -2.374 -1.772 -12.690 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -1.580 -1.288 -12.996 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -2.012 -2.570 -12.251 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -3.638 -3.678 -9.758 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -3.398 -4.101 -8.925 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -2.811 -3.675 -10.272 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -5.197 -4.847 -11.746 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -5.681 -5.616 -11.376 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -4.807 -4.411 -10.963 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -2.000 -4.610 -14.116 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -2.052 -4.709 -13.150 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -2.933 -4.640 -14.408 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -6.463 -7.170 -11.077 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -6.179 -8.069 -10.788 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -7.398 -7.134 -10.849 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -5.669 -9.730 -10.462 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -6.009 -10.434 -9.900 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -4.829 -10.072 -10.792 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -0.518 -13.247 20.247 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -0.698 -13.319 21.218 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -0.777 -14.122 19.888 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -0.484 -7.950 16.659 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -0.415 -7.953 15.695 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -0.701 -8.881 16.886 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -0.958 -10.576 17.228 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -1.303 -10.636 18.140 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -1.581 -11.132 16.701 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 1.212 -13.397 32.043 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 0.529 -13.241 31.351 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 0.712 -13.714 32.802 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -0.041 -8.926 28.235 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -0.863 -8.813 27.701 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -0.244 -8.477 29.086 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -4.526 -10.254 23.098 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -5.011 -11.085 23.263 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -3.655 -10.549 22.765 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -1.356 -6.386 20.790 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -1.978 -7.080 21.076 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -1.308 -5.787 21.553 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 0.063 -3.742 23.818 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -0.621 -4.443 23.745 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -0.328 -3.090 24.405 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 2.037 -4.212 22.013 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 2.846 -4.017 22.528 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 1.300 -3.957 22.617 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -2.860 -8.108 22.491 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -2.333 -8.914 22.344 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -3.726 -8.448 22.790 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -1.589 -5.900 23.564 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -0.843 -6.418 23.938 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -2.244 -6.583 23.305 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -2.539 -11.634 19.364 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -1.773 -12.208 19.579 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -2.691 -11.128 20.184 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -0.389 -9.701 24.614 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 0.093 -10.390 24.084 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 0.074 -8.870 24.400 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -2.056 -8.565 26.456 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -1.490 -8.962 25.759 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -2.938 -8.892 26.255 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -1.860 -11.686 25.898 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -1.347 -11.058 25.354 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -1.196 -12.084 26.493 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -2.031 -10.838 21.988 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -1.583 -11.586 22.458 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -1.311 -10.420 21.462 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -0.534 -12.738 30.044 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -0.495 -12.810 29.067 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -1.199 -13.421 30.306 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -0.219 -13.389 27.329 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 0.725 -13.614 27.386 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -0.613 -14.128 26.839 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -5.672 -12.696 23.736 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -6.525 -12.603 24.174 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -5.041 -12.885 24.473 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 1.232 7.374 -18.448 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 2.061 6.920 -18.173 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 1.537 8.047 -19.084 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -1.207 12.593 -20.293 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -1.143 12.861 -19.345 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -1.767 13.267 -20.692 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 0.300 7.986 -21.814 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -0.422 7.451 -21.443 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 1.060 7.371 -21.843 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -1.850 4.956 -15.351 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -1.926 5.401 -14.502 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -1.004 5.290 -15.722 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 0.563 5.858 -16.190 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 0.602 6.371 -17.022 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 1.365 6.147 -15.694 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 11.098 -52.214 -19.064 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 10.831 -52.920 -19.658 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 11.589 -51.604 -19.622 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -1.360 -48.847 -17.301 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -1.120 -48.667 -16.370 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -2.301 -49.134 -17.253 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 4.697 -50.864 -12.548 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 4.322 -50.664 -13.440 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 3.971 -50.661 -11.938 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 13.401 -51.266 -14.684 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 12.760 -51.096 -15.413 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 14.235 -51.511 -15.151 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 3.808 -50.095 -15.011 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 4.634 -49.735 -15.387 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 3.114 -49.802 -15.636 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 2.111 -46.044 -21.100 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 1.328 -45.703 -20.621 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 2.459 -46.749 -20.509 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 2.578 -44.180 -22.979 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 2.465 -44.952 -22.376 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 3.050 -44.554 -23.754 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 12.263 -52.678 -10.760 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 11.303 -52.863 -10.687 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 12.494 -52.968 -11.673 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 5.662 -60.909 -2.477 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 4.886 -60.385 -2.788 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 5.626 -61.721 -3.002 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 6.018 -56.767 -2.633 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 5.335 -56.288 -2.117 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 6.727 -56.926 -1.996 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 13.657 -54.170 -7.191 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 14.157 -53.682 -7.878 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 12.757 -54.247 -7.564 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 0.984 -52.068 -2.383 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 1.831 -52.566 -2.376 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 0.561 -52.309 -1.537 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 11.153 -52.307 -6.498 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 11.008 -53.056 -7.110 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 10.559 -51.601 -6.837 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 9.573 -53.091 -10.446 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 9.204 -53.113 -11.357 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 8.914 -52.566 -9.939 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 13.224 -49.877 -6.787 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 13.960 -49.438 -7.231 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 12.608 -50.098 -7.509 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 14.592 -52.482 -9.260 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 13.802 -52.639 -9.821 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 14.657 -51.510 -9.210 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 14.004 -58.614 -3.978 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 13.294 -58.173 -3.495 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 14.176 -58.021 -4.746 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 13.140 -61.215 -3.277 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 12.202 -61.184 -3.573 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 13.522 -60.382 -3.612 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 5.418 -52.616 -8.444 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 4.664 -52.331 -7.897 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 5.038 -53.292 -9.038 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 4.794 -57.327 -5.006 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 5.274 -57.114 -4.168 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 5.298 -56.870 -5.687 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 1.565 -55.716 -0.028 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 2.350 -55.446 -0.551 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 1.941 -55.975 0.839 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 -2.078 -53.593 -2.192 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 -2.264 -52.713 -2.536 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -1.369 -53.452 -1.535 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 -4.665 -50.137 -4.759 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 -4.320 -49.253 -4.895 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 -3.975 -50.723 -5.122 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 0.675 -49.648 -8.673 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 1.629 -49.731 -8.863 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 0.352 -49.012 -9.345 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 16.491 -59.683 0.832 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 15.644 -59.461 1.290 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 16.287 -59.560 -0.115 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 13.690 -64.549 0.742 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 13.525 -64.150 -0.142 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 14.348 -65.228 0.574 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 3.659 -59.350 -3.526 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 3.286 -58.631 -2.967 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 4.112 -58.873 -4.250 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 11.300 -61.899 -0.283 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 12.031 -62.360 -0.756 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 11.377 -60.963 -0.576 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 2.027 -56.946 -5.128 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 1.902 -56.684 -4.198 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 2.985 -57.120 -5.199 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 8.067 -62.608 -3.562 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 8.390 -63.018 -2.737 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 8.034 -61.658 -3.357 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 14.464 -56.605 -5.860 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 15.425 -56.453 -5.774 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 14.138 -55.809 -6.323 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 2.961 -52.002 -7.020 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 2.009 -51.962 -7.181 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 3.054 -52.666 -6.293 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 10.418 -52.678 -14.499 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 9.613 -52.898 -13.984 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 11.137 -53.141 -14.028 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 2.590 -57.184 -2.337 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 1.790 -57.058 -1.806 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 3.218 -56.511 -1.985 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 8.239 -58.373 -0.394 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 7.719 -59.162 -0.138 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 8.100 -57.748 0.345 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 12.772 -53.484 -13.292 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 13.061 -52.666 -13.765 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 13.378 -54.163 -13.606 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 11.029 -54.350 -8.303 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 10.617 -53.965 -9.104 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 10.697 -55.254 -8.278 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 4.014 -54.342 -10.111 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 3.386 -53.611 -10.333 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 3.444 -55.089 -9.906 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 3.324 -49.798 -9.547 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 3.710 -49.780 -8.640 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 3.917 -49.208 -10.066 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 11.430 -51.192 -16.536 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 11.263 -51.609 -17.407 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 10.936 -51.757 -15.901 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 17.490 -50.226 -15.166 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 17.452 -49.292 -15.462 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 18.273 -50.257 -14.563 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 5.843 -53.316 -11.944 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 5.369 -52.485 -12.155 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 5.250 -53.777 -11.321 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 7.685 -51.399 -9.348 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 6.964 -51.894 -8.884 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 7.215 -50.865 -10.000 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 8.257 -52.716 -12.884 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 7.952 -51.881 -13.291 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 7.423 -53.138 -12.559 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 9.172 -63.436 -1.171 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 9.912 -62.868 -0.868 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 8.680 -63.635 -0.365 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 9.822 -50.414 -7.911 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 9.041 -50.688 -8.439 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 10.557 -50.397 -8.555 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 15.673 -58.989 -1.800 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 14.963 -58.586 -1.237 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 15.228 -59.136 -2.662 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 10.484 -61.087 -3.897 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 9.931 -61.779 -4.289 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 9.842 -60.474 -3.490 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 1.793 -49.867 -12.155 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 1.704 -49.369 -11.324 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 2.103 -49.200 -12.799 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 7.198 -50.225 -13.692 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 6.882 -49.742 -14.486 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 6.382 -50.386 -13.173 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 15.682 -52.120 -15.884 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 16.133 -52.684 -16.515 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 16.362 -51.455 -15.625 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 3.311 -56.433 1.937 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 4.124 -56.371 1.398 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 3.618 -56.246 2.847 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 5.830 -56.466 0.634 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 5.339 -55.915 -0.020 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 6.127 -55.817 1.328 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 8.178 -59.899 -2.791 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 8.338 -59.241 -2.088 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 7.215 -60.074 -2.738 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 10.928 -59.140 -0.492 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 11.121 -59.170 0.473 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 10.023 -58.769 -0.544 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 5.245 -59.047 1.365 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 5.217 -58.984 2.347 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 5.485 -58.138 1.074 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 6.840 -60.716 -0.030 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 6.165 -60.287 0.547 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.355 -60.904 -0.865 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 9.084 -61.416 1.341 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 9.845 -61.531 0.741 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 8.322 -61.257 0.741 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 4.831 -47.087 -13.305 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 3.861 -47.147 -13.178 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 4.932 -46.889 -14.255 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 2.480 -52.169 -10.620 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 2.021 -51.684 -11.326 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 2.838 -51.461 -10.043 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 15.242 -54.296 -4.099 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 15.981 -54.687 -4.604 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 15.021 -54.973 -3.448 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 2.982 -53.853 -5.069 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 2.391 -54.615 -5.158 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 3.156 -53.797 -4.102 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 18.366 -58.276 2.239 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 17.659 -58.818 1.820 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 19.097 -58.894 2.359 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 13.149 -63.406 -1.681 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 12.510 -63.971 -2.176 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 13.347 -62.667 -2.306 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 0.930 -59.196 3.834 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 0.185 -59.639 3.403 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 1.549 -59.009 3.099 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 12.202 -50.383 -9.339 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 12.133 -51.187 -9.899 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 13.082 -50.011 -9.568 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 -1.566 -46.985 -8.001 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 -1.404 -46.470 -8.824 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 -0.739 -46.868 -7.482 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 4.336 -49.679 -7.052 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 3.892 -50.533 -6.860 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 4.556 -49.318 -6.174 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 -0.029 -47.986 -10.760 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 -0.441 -47.108 -10.605 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 -0.568 -48.380 -11.470 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 13.099 -49.767 -12.372 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 13.043 -50.264 -13.215 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 14.053 -49.737 -12.184 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 -0.421 -47.912 -14.917 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 -0.828 -47.314 -14.248 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 0.298 -47.370 -15.312 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 11.282 -54.707 7.658 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 11.413 -53.795 7.333 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 11.596 -55.272 6.919 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 7.868 -54.395 10.499 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 7.632 -55.127 11.114 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 7.244 -54.512 9.748 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 3.751 -59.836 10.083 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 4.489 -60.315 9.687 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 2.966 -60.362 9.838 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 15.130 -56.201 7.462 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 15.211 -57.145 7.226 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 14.781 -56.208 8.380 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 1.369 -54.531 4.792 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 1.562 -53.579 4.672 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 1.157 -54.616 5.754 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 2.873 -57.422 8.080 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 3.102 -58.360 8.107 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 2.812 -57.216 7.117 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 8.992 -59.508 7.686 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 9.708 -58.871 7.566 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 8.571 -59.232 8.535 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 11.230 -61.108 4.187 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 11.438 -61.873 3.605 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 10.269 -60.973 4.074 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 3.786 -61.809 7.301 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 3.530 -61.212 6.560 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 4.758 -61.695 7.372 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 11.361 -51.942 7.270 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 10.571 -52.004 7.867 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 11.070 -51.370 6.551 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 4.375 -57.707 11.738 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 4.186 -58.564 11.283 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 4.164 -57.882 12.677 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 -2.169 -58.109 11.533 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 -1.404 -58.686 11.352 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 -2.032 -57.820 12.463 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 13.036 -51.682 9.470 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 12.567 -51.723 8.609 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 13.953 -51.411 9.233 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 11.479 -50.189 11.253 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 11.999 -49.426 11.608 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 12.065 -50.585 10.574 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 16.776 -53.836 14.882 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 16.915 -54.516 15.551 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 17.096 -54.246 14.051 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 11.816 -56.475 5.442 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 11.809 -57.433 5.640 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 11.480 -56.420 4.515 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 9.344 -52.190 9.049 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 8.950 -51.553 9.660 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 8.895 -53.027 9.258 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 3.772 -57.538 14.535 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 3.042 -56.943 14.810 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 4.523 -57.269 15.107 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 6.096 -54.809 8.488 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 6.279 -55.472 7.791 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 6.229 -53.942 8.037 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 16.343 -51.147 15.855 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 15.879 -50.620 15.168 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 16.638 -51.952 15.383 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 3.749 -76.208 5.808 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 4.192 -75.924 5.008 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 3.879 -75.487 6.424 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 8.067 -58.125 9.787 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 7.602 -57.630 10.486 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 8.487 -57.427 9.239 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 6.360 -60.941 7.415 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 6.444 -60.237 6.747 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 7.251 -61.026 7.781 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 11.625 -59.300 2.108 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 11.461 -58.372 2.409 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 11.374 -59.848 2.876 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 11.970 -54.141 10.351 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 11.602 -54.448 9.492 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 12.348 -53.258 10.145 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 0.537 -59.078 11.500 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 0.780 -58.165 11.750 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 1.140 -59.633 12.032 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 6.866 -56.326 6.264 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 7.040 -57.271 6.088 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 6.256 -56.059 5.541 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 10.988 -58.338 13.449 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 11.088 -57.454 13.045 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 11.838 -58.499 13.875 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 5.122 -58.606 4.048 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 5.890 -58.829 4.614 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 5.088 -57.621 4.069 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 7.384 -59.017 5.575 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 7.995 -59.148 6.338 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 7.899 -59.343 4.800 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 8.886 -59.738 3.447 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 8.860 -60.373 2.694 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 8.757 -58.859 3.025 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 12.686 -49.406 17.500 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 13.132 -50.255 17.311 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 11.866 -49.668 17.961 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 1.818 -55.624 14.992 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 0.862 -55.388 14.933 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 2.238 -54.814 15.342 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 9.203 -56.511 7.894 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 9.883 -55.807 7.880 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 8.543 -56.222 7.236 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 8.271 -58.061 13.707 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 8.260 -57.927 14.659 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 9.195 -58.336 13.514 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 13.598 -57.209 14.193 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 14.372 -57.172 13.584 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 12.928 -56.638 13.756 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 11.037 -64.603 -2.888 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 10.304 -64.333 -2.302 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 10.614 -64.761 -3.737 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 8.307 -54.382 16.502 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 7.930 -54.830 17.284 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 7.587 -53.804 16.190 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 14.447 -61.774 3.557 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 13.669 -62.230 3.166 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 14.304 -61.845 4.529 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 2.570 -59.773 13.450 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 2.945 -59.002 13.928 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 2.714 -60.512 14.045 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 5.597 -56.250 16.256 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 6.212 -55.688 15.771 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 5.801 -56.068 17.194 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 18.448 -61.215 5.420 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 17.970 -61.157 4.558 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 19.109 -61.898 5.277 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 14.886 -56.472 18.062 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 15.082 -56.773 18.955 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 14.922 -57.292 17.516 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 11.704 -55.722 12.788 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 11.106 -55.112 13.249 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 11.833 -55.311 11.912 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 9.899 -53.310 11.985 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 10.658 -53.555 11.422 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 9.133 -53.749 11.555 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 2.779 -56.780 5.453 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 3.642 -56.486 5.087 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 2.152 -56.095 5.157 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 14.244 -61.770 6.280 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 13.738 -62.238 6.952 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 15.105 -61.579 6.714 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 2.369 -58.909 1.433 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 3.231 -59.328 1.264 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 2.592 -57.963 1.573 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 12.879 -48.344 12.622 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 13.151 -47.414 12.697 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 13.396 -48.799 13.316 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 -1.257 -57.116 13.950 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 -1.233 -56.170 14.226 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 -1.476 -57.599 14.781 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 4.163 -53.297 18.539 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 4.692 -52.502 18.729 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 4.720 -53.818 17.945 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 14.381 -52.883 13.876 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 14.844 -52.733 13.030 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 15.046 -53.327 14.434 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 -2.047 -57.945 16.436 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 -2.269 -57.063 16.803 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 -2.558 -58.556 16.969 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 8.363 -63.512 18.319 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 7.828 -63.050 17.674 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 8.405 -64.413 17.995 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 8.526 -57.201 2.385 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 9.435 -56.862 2.554 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 7.943 -56.443 2.596 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 10.928 -54.095 17.549 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 11.571 -54.665 17.070 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 10.079 -54.253 17.092 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 6.933 -56.612 11.841 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 7.409 -57.137 12.530 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 6.031 -56.994 11.831 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 12.860 -55.659 16.392 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 13.108 -56.232 15.645 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 13.551 -55.829 17.063 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 15.872 -52.470 11.567 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 16.329 -51.608 11.699 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 15.412 -52.360 10.718 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 14.807 -49.294 14.437 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 15.350 -48.759 13.819 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 14.705 -48.717 15.224 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 14.042 -51.804 17.170 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 14.823 -51.648 16.603 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 14.394 -51.736 18.082 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 15.519 -56.889 12.302 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 15.819 -57.584 11.663 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 16.259 -56.252 12.327 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 17.315 -54.688 12.291 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 18.030 -54.690 11.641 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 16.751 -53.925 12.025 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 17.114 -61.247 3.067 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 17.017 -60.858 2.177 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 16.215 -61.575 3.282 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 12.634 -59.099 5.417 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 12.115 -59.842 5.032 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 13.372 -59.538 5.872 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 0.151 -56.458 9.591 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -0.774 -56.229 9.827 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 0.082 -57.350 9.182 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 14.736 -58.641 16.373 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 14.749 -59.579 16.161 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 14.347 -58.219 15.580 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 12.231 -62.819 2.249 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 12.745 -63.575 1.878 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 11.816 -62.413 1.466 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 14.347 -59.340 2.415 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 14.409 -60.228 2.835 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 13.423 -59.297 2.087 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 1.714 -61.436 8.934 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 1.269 -62.271 9.111 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 2.436 -61.676 8.299 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 15.686 -51.067 9.105 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 16.285 -50.997 8.350 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 16.103 -50.503 9.796 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 8.909 -50.785 11.857 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 9.103 -51.742 11.954 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 9.742 -50.409 11.500 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 8.180 -54.125 22.605 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 8.435 -55.062 22.498 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 7.916 -53.844 21.709 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 9.448 -51.305 26.868 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 9.122 -52.030 26.290 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 9.118 -51.536 27.743 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 8.148 -52.895 25.022 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 7.917 -52.017 24.679 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 8.257 -53.446 24.211 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.152 -57.926 22.317 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 11.961 -57.824 21.808 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 11.119 -58.886 22.529 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 9.019 -50.065 24.410 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 9.340 -50.341 25.291 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 9.778 -49.589 24.019 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 15.314 -51.219 19.518 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 14.895 -50.721 20.252 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 15.981 -50.600 19.160 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 4.571 -49.138 23.707 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 4.461 -48.611 22.884 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 3.805 -48.883 24.252 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 1.923 -48.127 24.414 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 1.670 -48.759 23.701 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 1.283 -47.400 24.319 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 9.046 -50.974 20.949 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 8.369 -50.712 21.607 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 9.884 -50.983 21.455 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 10.897 -60.604 22.804 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 11.086 -61.225 23.514 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 10.315 -61.092 22.209 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 6.647 -56.493 21.060 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 7.439 -56.750 21.578 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 6.047 -56.122 21.714 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 6.393 -50.521 21.952 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 6.020 -50.236 21.109 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 5.809 -50.118 22.621 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 11.895 -53.010 19.813 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 11.476 -53.509 19.070 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 12.760 -53.457 19.939 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 5.539 -52.854 26.071 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 5.684 -51.893 25.958 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 6.382 -53.250 25.791 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 6.468 -50.339 25.307 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 5.777 -49.884 24.778 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 7.312 -50.090 24.865 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 14.295 -49.864 21.738 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 13.989 -48.937 21.854 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 14.878 -50.015 22.491 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 8.743 -56.810 22.798 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 9.609 -57.166 22.480 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 8.797 -56.889 23.756 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 7.354 -52.966 20.166 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 6.604 -52.366 20.293 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 8.141 -52.391 20.296 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 1.035 -50.754 19.228 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 0.984 -50.547 18.272 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 0.652 -49.966 19.659 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 1.797 -53.253 19.838 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 1.500 -52.360 19.534 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 2.635 -53.408 19.339 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 1.069 -49.710 22.428 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 1.572 -50.513 22.171 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 0.841 -49.283 21.574 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 6.710 -55.176 18.646 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 6.671 -55.836 19.377 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 6.976 -54.345 19.097 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 14.444 -54.011 19.751 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 14.932 -53.172 19.664 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 14.669 -54.504 18.948 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 -0.747 -54.064 20.478 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 0.156 -53.830 20.166 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 -0.604 -54.794 21.084 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 -2.421 -49.938 25.817 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 -1.907 -50.325 26.533 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 -2.049 -50.355 25.003 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 -1.064 -50.896 23.691 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 -0.500 -51.563 24.135 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 -0.426 -50.361 23.171 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 11.388 -48.977 23.421 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 11.953 -48.335 22.942 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 11.469 -49.803 22.895 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 1.160 -52.046 24.860 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 1.729 -52.621 25.425 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 1.574 -52.098 23.973 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 2.899 -53.362 26.462 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 3.848 -53.185 26.258 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 2.924 -53.829 27.300 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 0.172 -48.338 20.208 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 -0.797 -48.303 20.023 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 0.475 -47.429 20.060 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 11.769 -51.011 21.648 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 12.688 -50.686 21.563 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 11.745 -51.808 21.069 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 1.912 -38.806 -19.316 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 2.528 -38.550 -20.038 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 1.679 -39.741 -19.521 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 3.053 -40.018 -23.849 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 3.359 -40.454 -24.650 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 3.188 -40.691 -23.141 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 7.939 -36.167 -18.561 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 7.513 -36.836 -17.982 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 7.190 -35.732 -19.015 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 6.425 -30.373 -20.442 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 5.940 -31.064 -20.952 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 6.090 -29.533 -20.810 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 5.761 -34.631 -19.459 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 5.571 -34.517 -18.497 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 4.925 -34.991 -19.824 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 4.187 -36.910 -16.168 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 3.800 -37.792 -16.375 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 3.411 -36.360 -15.935 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 5.481 -34.593 -16.779 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 5.685 -34.187 -15.929 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 5.048 -35.439 -16.543 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 0.566 -36.423 -19.671 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 -0.428 -36.413 -19.648 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 0.801 -37.361 -19.492 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 7.428 -32.485 -18.952 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 7.134 -31.714 -19.479 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 6.834 -33.212 -19.241 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 3.273 -38.107 -21.564 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 3.888 -38.644 -22.086 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 2.427 -38.165 -22.061 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 5.841 -45.102 -17.929 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 6.743 -44.836 -18.226 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 5.290 -45.016 -18.730 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 1.694 -41.458 -19.880 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 2.439 -41.490 -20.517 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 1.018 -42.040 -20.284 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 10.653 -43.013 -17.927 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 10.908 -42.073 -17.911 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 11.513 -43.490 -17.967 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 4.556 -46.640 -16.061 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 3.625 -46.343 -16.092 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 5.018 -46.049 -16.699 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 5.443 -42.256 -19.930 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 5.622 -41.971 -19.016 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 4.843 -43.026 -19.823 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 11.587 -36.026 -18.211 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 11.019 -35.246 -18.354 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 10.953 -36.767 -18.098 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 3.722 -44.300 -19.558 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 3.260 -44.891 -20.182 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 3.253 -44.442 -18.703 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 8.114 -43.807 -18.727 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 9.031 -43.586 -18.447 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 7.898 -43.134 -19.383 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 3.303 -35.677 -20.294 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 3.444 -36.522 -20.779 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 2.410 -35.770 -19.915 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 9.452 -34.021 -17.925 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 8.915 -33.304 -18.334 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 8.964 -34.845 -18.166 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 2.948 -39.206 -16.848 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 2.645 -38.957 -17.750 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 2.918 -40.191 -16.852 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 13.462 -38.121 -18.393 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 12.891 -37.327 -18.468 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 14.163 -37.970 -19.039 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 3.559 -41.825 -21.905 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 4.340 -41.990 -21.332 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 3.320 -42.713 -22.252 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 5.652 -42.456 -17.138 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 6.242 -42.414 -16.382 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 5.616 -43.408 -17.359 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 13.201 -43.986 -17.536 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 14.148 -44.177 -17.619 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 13.065 -43.873 -16.574 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 3.970 -45.654 -24.895 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 3.511 -46.108 -25.608 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 4.832 -46.081 -24.856 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 15.891 -42.235 -15.580 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 16.298 -42.321 -14.694 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 15.971 -43.129 -15.971 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 10.050 -46.800 -13.688 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 9.534 -47.416 -14.218 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 10.184 -46.027 -14.281 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 6.123 -48.880 -15.927 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 5.549 -48.079 -15.979 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 6.672 -48.828 -16.717 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 0.931 -38.558 -22.926 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 0.273 -39.220 -22.610 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 1.545 -39.083 -23.486 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 0.428 -44.758 -19.400 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 -0.333 -45.306 -19.103 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 1.018 -44.724 -18.617 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 14.011 -46.524 -15.497 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 13.046 -46.504 -15.456 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 14.288 -46.695 -14.575 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 -1.481 -46.559 -18.737 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 -1.738 -46.939 -19.585 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 -1.388 -47.343 -18.142 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 2.690 -33.616 -22.030 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 2.030 -34.134 -22.526 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 3.033 -34.250 -21.365 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 7.452 -30.955 -16.571 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 7.281 -31.629 -17.255 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 8.336 -31.185 -16.228 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 11.842 -27.020 -20.501 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 11.434 -27.560 -19.781 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 12.502 -27.605 -20.886 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 1.498 -31.259 -21.186 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 0.914 -31.572 -20.481 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 1.915 -32.077 -21.529 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 5.134 -32.228 -21.989 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 4.231 -32.598 -22.073 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 5.714 -32.980 -22.148 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 2.817 -47.209 -18.780 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 2.702 -48.024 -18.259 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 2.647 -46.491 -18.138 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 9.823 -49.724 -13.092 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 8.872 -49.886 -13.279 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 10.280 -50.449 -13.543 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 12.133 -34.201 -5.470 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 13.029 -33.925 -5.233 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 12.103 -34.109 -6.443 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 9.493 -33.392 -10.977 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 9.813 -34.287 -10.722 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 9.932 -32.792 -10.344 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 10.681 -35.786 -10.357 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 10.827 -36.628 -9.916 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 11.583 -35.442 -10.522 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 10.111 -38.301 -17.654 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 10.669 -39.113 -17.693 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 9.372 -38.491 -18.248 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 11.880 -40.369 -17.705 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 12.509 -39.759 -18.138 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 12.386 -40.723 -16.938 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 13.719 -37.675 -12.845 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 13.901 -38.012 -13.744 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 13.492 -36.748 -12.982 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 6.421 -34.507 -11.368 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 7.000 -33.960 -10.823 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 7.000 -34.855 -12.049 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 15.896 -49.804 -12.925 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 15.776 -48.849 -13.112 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 16.336 -50.150 -13.728 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 10.088 -31.694 -16.129 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 10.164 -32.492 -16.682 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 10.257 -32.015 -15.221 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 10.268 -32.687 -13.484 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 9.762 -33.346 -14.020 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 9.918 -32.809 -12.567 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 13.893 -38.138 -15.597 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 13.908 -38.313 -16.558 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 13.506 -37.243 -15.527 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 1.995 -48.933 -16.751 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 1.083 -49.215 -16.913 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 1.903 -48.039 -16.347 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 10.477 -44.795 -15.516 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 10.286 -44.389 -16.377 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 11.252 -44.291 -15.182 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 12.735 -43.414 -14.863 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 12.961 -42.473 -15.025 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 13.270 -43.655 -14.072 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 10.025 -37.109 -15.226 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 9.823 -37.823 -14.611 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 9.972 -37.534 -16.114 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 16.532 -42.435 -12.904 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 16.625 -41.721 -12.231 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 15.607 -42.734 -12.804 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 16.159 -37.911 1.263 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 16.338 -38.751 0.778 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 15.300 -37.625 0.926 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 15.381 -33.041 -10.062 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 15.331 -33.101 -9.078 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 16.239 -33.429 -10.276 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 12.666 -34.163 -13.405 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 11.891 -33.579 -13.503 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 12.690 -34.674 -14.240 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 13.101 -34.542 -10.782 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 12.939 -34.411 -11.747 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 13.984 -34.158 -10.636 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 6.619 -38.022 -17.013 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 5.846 -37.571 -16.619 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 6.352 -38.945 -17.069 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 12.660 -33.775 -8.182 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 13.599 -33.745 -7.899 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 12.686 -34.243 -9.043 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 9.199 -34.481 -15.164 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 9.366 -35.441 -15.075 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 9.116 -34.342 -16.126 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 12.427 -35.814 -15.595 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 11.575 -36.218 -15.321 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 12.327 -35.686 -16.562 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 1.019 -28.571 -10.755 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 0.221 -28.308 -11.229 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 0.908 -29.539 -10.622 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 17.909 -33.550 -4.852 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 18.816 -33.793 -4.538 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 17.744 -34.162 -5.597 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 15.271 -33.584 -7.389 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 15.219 -33.128 -6.517 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 15.798 -34.396 -7.199 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 14.712 -38.483 -10.447 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 14.376 -38.211 -11.333 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 13.918 -38.455 -9.871 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 16.124 -37.801 -8.150 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 16.213 -38.733 -7.892 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 15.705 -37.839 -9.033 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 16.311 -40.682 -10.834 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 15.794 -39.851 -10.855 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 16.392 -40.884 -9.890 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 13.568 -40.890 -15.621 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 13.765 -39.966 -15.367 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 14.459 -41.320 -15.676 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 15.842 -44.825 -16.570 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 16.572 -45.449 -16.673 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 15.130 -45.357 -16.150 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 16.631 -47.650 -15.705 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 15.771 -47.643 -16.152 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 16.425 -47.376 -14.792 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 11.332 -31.753 -9.489 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 12.034 -31.627 -10.159 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 11.686 -32.455 -8.901 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 -3.655 -45.055 -2.884 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 -3.565 -44.096 -3.065 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 -3.314 -45.479 -3.680 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 2.097 -47.269 -13.267 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 1.984 -46.934 -14.187 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 1.306 -46.959 -12.803 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 5.014 -47.976 -10.723 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 5.004 -47.072 -10.393 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 5.111 -47.872 -11.694 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 13.532 -31.227 -11.161 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 13.992 -30.395 -10.998 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 14.179 -31.915 -10.896 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 15.747 -47.220 19.071 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 16.151 -48.095 18.889 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 16.515 -46.599 19.074 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 14.538 -47.617 16.641 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 13.732 -48.149 16.842 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 14.911 -47.417 17.523 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 14.004 -45.792 13.145 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 14.489 -44.955 13.171 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 13.073 -45.535 13.355 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 16.854 -49.878 11.332 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 16.424 -49.145 11.827 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 17.745 -49.519 11.110 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 5.824 -38.885 27.818 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 6.164 -37.983 27.846 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 6.602 -39.427 27.543 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 0.573 -41.598 29.586 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 1.390 -41.843 30.057 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 0.899 -41.189 28.748 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 10.743 -39.935 26.926 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 10.741 -39.917 25.932 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 10.955 -40.866 27.145 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 4.209 -34.043 27.150 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 4.091 -34.806 27.756 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 4.606 -34.432 26.360 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 9.602 -29.857 24.928 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 9.444 -30.704 24.466 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 8.770 -29.700 25.423 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 3.640 -39.097 29.498 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 3.452 -40.038 29.703 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 4.440 -39.135 28.930 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 3.434 -44.049 26.081 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 2.922 -43.277 25.757 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 4.313 -43.942 25.671 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 13.208 -41.763 25.989 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 12.474 -42.194 26.477 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 12.995 -41.926 25.047 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -1.681 -42.400 25.829 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -2.274 -41.893 26.430 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -0.788 -42.112 26.080 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 5.121 -41.153 24.097 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 5.459 -42.041 24.305 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 4.210 -41.320 23.747 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 4.263 -46.254 28.654 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 4.097 -45.856 27.787 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 4.252 -47.219 28.483 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 3.356 -41.929 29.615 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 3.843 -42.702 29.983 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 3.253 -42.138 28.677 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 11.186 -37.332 27.509 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 11.022 -38.288 27.313 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 11.956 -37.341 28.090 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 6.917 -49.085 27.711 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 6.797 -49.571 26.871 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 6.007 -48.899 28.007 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 3.660 -36.450 28.380 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 3.217 -36.922 27.644 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 3.760 -37.133 29.069 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 4.528 -38.842 25.381 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 4.762 -39.624 24.826 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 5.011 -38.992 26.216 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 9.032 -35.857 26.772 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 8.418 -36.439 26.275 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 9.637 -36.481 27.229 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 13.302 -47.317 22.217 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 13.510 -46.935 21.349 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 13.226 -46.536 22.803 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 -3.691 -34.844 28.963 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 -2.933 -34.266 28.741 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 -4.150 -34.371 29.665 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 4.166 -49.009 28.258 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 3.502 -49.288 27.583 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 4.018 -49.612 28.993 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 4.596 -44.223 30.436 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 4.473 -44.950 29.782 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 4.984 -44.657 31.198 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 8.323 -42.640 26.165 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 7.589 -43.241 26.351 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 8.468 -42.734 25.194 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 8.378 -43.347 23.562 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 8.349 -43.075 22.620 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 9.113 -44.009 23.597 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 8.027 -39.954 26.712 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 8.979 -39.796 26.886 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 7.993 -40.897 26.435 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 1.644 -40.544 27.380 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 1.900 -39.653 27.082 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 1.721 -41.101 26.564 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 12.376 -41.825 23.374 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 11.691 -41.207 23.721 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 12.596 -41.460 22.493 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 7.598 -37.581 25.227 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 8.383 -37.605 24.622 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 7.516 -38.503 25.540 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 0.951 -36.341 24.882 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 0.589 -35.512 25.254 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 0.344 -36.563 24.154 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 2.292 -37.971 26.527 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 1.793 -37.422 25.875 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 3.061 -38.321 26.009 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 14.460 -30.875 20.857 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 14.811 -31.727 21.205 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 13.504 -30.906 21.073 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 1.146 -35.056 28.597 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 0.818 -35.941 28.854 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 2.105 -35.112 28.740 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 10.416 -45.089 23.689 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 10.478 -45.832 24.324 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 11.343 -44.919 23.430 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 5.869 -43.784 24.542 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 5.489 -44.183 23.735 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 6.810 -43.640 24.307 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 10.929 -42.734 27.120 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 10.002 -42.718 26.802 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 11.088 -43.682 27.340 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 10.172 -33.410 26.542 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 9.741 -32.584 26.786 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 9.509 -34.099 26.751 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 2.207 -49.841 26.538 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 2.035 -49.150 25.866 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 1.883 -50.660 26.124 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 16.933 -37.128 23.976 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 17.429 -37.401 23.177 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 17.231 -36.201 24.139 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 15.470 -36.969 26.363 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 16.052 -36.961 25.583 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 15.174 -37.893 26.427 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 14.615 -38.016 22.858 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 13.894 -38.138 23.512 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 15.394 -37.769 23.406 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 12.909 -38.208 25.002 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 13.486 -38.771 25.560 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 12.139 -38.789 24.788 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 -1.165 -39.471 28.972 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 -0.717 -40.215 29.416 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 -0.516 -38.743 29.018 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 14.811 -39.680 26.407 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 14.228 -40.473 26.283 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 15.594 -40.033 26.840 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 11.077 -45.437 27.478 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 11.135 -45.928 26.633 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 10.702 -46.075 28.094 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -1.550 -44.841 27.048 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 -1.673 -44.013 26.536 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -0.854 -45.310 26.574 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -3.049 -40.877 27.653 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -2.902 -41.649 28.246 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -2.483 -40.168 28.045 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 13.001 -44.600 22.834 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 12.917 -43.656 23.077 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 13.456 -44.587 21.969 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 -0.249 -28.026 26.822 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 -0.399 -28.937 26.504 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 -1.099 -27.779 27.254 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 0.196 -34.023 26.277 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 0.542 -34.414 27.113 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 0.949 -33.491 25.932 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 2.413 -32.721 25.425 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 2.975 -32.892 26.205 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 2.978 -32.968 24.669 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 10.812 -47.213 25.411 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 11.061 -47.905 24.762 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 10.368 -47.711 26.135 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 9.615 -48.571 27.440 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 8.649 -48.547 27.622 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 9.816 -49.520 27.363 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 10.602 -50.908 18.593 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 9.948 -50.709 19.292 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 11.117 -51.658 18.960 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 9.157 -21.470 -26.862 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 9.483 -21.823 -26.001 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 9.767 -21.832 -27.510 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 1.902 -20.073 -27.297 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 2.299 -19.812 -28.133 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 2.144 -21.019 -27.201 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 8.898 -16.013 -24.641 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 8.038 -16.399 -24.420 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 9.539 -16.595 -24.195 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 6.650 -20.623 -26.401 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 7.566 -20.974 -26.532 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 6.429 -20.225 -27.250 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 2.754 -29.651 -23.038 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 2.315 -30.071 -22.263 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 2.650 -30.298 -23.746 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 2.263 -17.819 -22.389 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 2.243 -17.120 -23.075 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 1.459 -18.346 -22.562 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.185 -16.047 -24.497 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 2.414 -15.563 -25.298 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 1.800 -16.896 -24.830 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 11.618 -15.992 -21.884 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 11.046 -16.743 -22.153 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 11.893 -15.591 -22.727 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 12.334 -19.318 -18.108 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 12.809 -20.159 -18.079 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 11.584 -19.447 -17.499 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 6.919 -22.833 -23.029 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 6.010 -23.201 -23.025 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 6.787 -21.877 -23.176 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 4.628 -22.477 -25.756 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 4.768 -22.978 -24.931 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 5.429 -21.925 -25.842 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 2.481 -22.753 -27.319 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 2.415 -23.702 -27.529 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 3.293 -22.687 -26.755 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 9.957 -17.945 -22.889 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 8.985 -18.012 -22.926 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 10.259 -18.882 -22.853 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 3.195 -20.285 -19.990 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 3.506 -20.234 -20.925 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 3.065 -21.249 -19.835 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 -0.124 -19.469 -22.713 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 -0.679 -20.196 -22.400 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 -0.414 -18.700 -22.176 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 11.544 -24.612 -15.878 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 11.026 -25.341 -15.459 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 11.466 -24.794 -16.842 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 2.908 -17.560 -19.716 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 3.086 -18.511 -19.845 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 2.502 -17.283 -20.565 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 7.819 -27.175 -22.499 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 8.382 -27.891 -22.191 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 6.916 -27.550 -22.471 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 9.454 -23.893 -20.388 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 8.563 -24.088 -20.025 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 9.354 -24.030 -21.349 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 -0.102 -22.974 -28.220 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 -0.583 -22.187 -28.491 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 0.755 -22.634 -27.896 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 2.329 -25.462 -20.929 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 2.681 -26.008 -21.659 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 1.586 -25.993 -20.572 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 10.029 -22.567 -24.539 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 9.608 -23.355 -24.144 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 10.968 -22.629 -24.255 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 12.581 -7.622 -19.185 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 13.123 -7.910 -19.958 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 13.244 -7.322 -18.526 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 0.538 -19.673 -19.459 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 0.221 -20.578 -19.292 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 1.465 -19.795 -19.742 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 1.234 -25.307 -27.752 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 1.039 -26.005 -28.386 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 0.595 -24.591 -27.977 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 10.399 -20.643 -22.540 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 11.247 -21.101 -22.406 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 9.960 -21.165 -23.241 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 2.145 -22.104 -22.870 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 2.812 -21.377 -22.846 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 1.383 -21.709 -23.311 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 8.911 -24.694 -23.003 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 8.511 -25.592 -22.917 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 8.132 -24.092 -23.085 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 6.320 -20.161 -23.751 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 6.826 -19.353 -23.544 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 6.446 -20.283 -24.722 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 0.296 -27.043 -19.969 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 -0.452 -27.609 -20.197 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 0.734 -27.515 -19.236 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 0.584 -15.126 -20.411 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 0.576 -15.134 -19.431 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 0.130 -15.962 -20.658 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 11.646 -25.065 -22.548 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 10.692 -25.052 -22.761 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 11.715 -25.691 -21.801 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 4.350 -23.810 -23.256 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 4.096 -24.732 -23.092 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 3.526 -23.305 -23.102 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 10.997 -25.156 -18.537 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 10.509 -24.581 -19.171 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 11.527 -25.740 -19.112 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 12.361 -14.468 -24.171 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 11.583 -14.193 -24.715 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 12.995 -14.798 -24.820 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 0.553 -15.319 -17.600 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 -0.102 -15.120 -16.901 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 1.113 -16.020 -17.205 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 9.297 -19.366 -20.290 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 9.671 -19.954 -20.978 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 9.527 -18.476 -20.588 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 2.309 -22.861 -20.251 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 2.434 -23.841 -20.266 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 2.176 -22.629 -21.195 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 3.195 -26.921 -23.100 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 2.775 -26.510 -23.894 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 2.920 -27.864 -23.146 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 1.926 -25.599 -25.093 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 1.746 -25.622 -26.057 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 1.586 -24.746 -24.810 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 3.863 -20.063 -22.598 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 3.503 -19.161 -22.737 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 4.735 -20.051 -23.055 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 5.329 -28.419 -22.166 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 4.761 -27.644 -22.352 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 4.806 -29.173 -22.486 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 8.625 -26.515 -17.672 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 8.456 -27.433 -17.983 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 9.506 -26.296 -18.037 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 10.017 -26.737 -15.265 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 9.365 -26.745 -15.992 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 10.456 -27.609 -15.326 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 7.183 -24.649 -19.091 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 7.611 -25.277 -18.469 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 6.347 -25.073 -19.316 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 8.164 -29.142 -18.477 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 7.833 -29.654 -17.703 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 7.631 -29.474 -19.224 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 13.164 -13.413 -21.757 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 12.953 -13.747 -22.657 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 12.819 -14.100 -21.164 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 11.272 -14.312 -17.686 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 11.930 -14.324 -16.958 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 11.440 -15.154 -18.169 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 11.857 -16.694 -18.945 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 11.913 -16.693 -19.914 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 12.119 -17.608 -18.689 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 12.381 -22.169 -16.813 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 13.283 -22.081 -17.196 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 12.388 -23.047 -16.384 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 14.873 -21.753 -17.839 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 15.430 -21.270 -18.455 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 15.501 -22.339 -17.355 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 12.490 -22.640 -23.382 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 12.300 -23.535 -23.009 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 13.438 -22.648 -23.541 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 -0.026 -26.884 -16.615 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 0.409 -27.631 -17.074 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 -0.688 -27.314 -16.039 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 13.659 -10.836 -22.824 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 14.386 -11.156 -23.381 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 13.389 -11.619 -22.313 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 1.238 -13.983 -22.876 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 1.559 -14.768 -23.365 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 0.949 -14.344 -22.009 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 1.259 -18.486 -25.155 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 1.442 -19.053 -25.938 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 0.606 -18.990 -24.642 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 7.127 -17.561 -23.001 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 6.226 -17.216 -23.057 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 7.440 -17.268 -22.115 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 0.666 -29.093 -18.062 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 0.031 -29.485 -18.691 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 1.023 -29.851 -17.581 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 10.841 -28.478 -18.444 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 9.953 -28.892 -18.490 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 11.149 -28.674 -17.538 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 13.671 -11.307 -18.352 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 14.334 -12.020 -18.292 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 14.196 -10.482 -18.230 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 -1.244 -17.839 -8.223 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 -0.670 -17.198 -8.664 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 -0.630 -18.520 -7.891 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 11.222 -20.081 -8.227 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 11.816 -19.444 -7.773 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 10.983 -20.721 -7.530 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 3.039 -17.709 -7.907 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 3.646 -17.224 -7.303 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 3.604 -18.401 -8.308 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 2.087 -19.916 -11.837 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 1.790 -19.107 -11.383 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 1.730 -20.644 -11.282 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 6.247 -15.957 -8.750 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 5.589 -15.957 -8.030 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 7.015 -16.400 -8.363 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 7.197 -21.432 -6.089 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 7.445 -20.672 -5.529 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 6.394 -21.805 -5.646 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 15.272 -32.745 -4.827 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 16.189 -33.061 -4.700 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 15.263 -31.861 -4.404 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 13.781 -28.118 -3.535 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 12.874 -28.174 -3.162 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 14.349 -27.940 -2.751 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 6.831 -19.367 -9.229 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 6.977 -18.752 -9.963 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 7.556 -20.026 -9.327 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 1.077 -19.637 -7.586 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 1.610 -20.455 -7.642 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 1.743 -18.926 -7.458 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 10.892 -29.270 -8.297 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 10.706 -29.532 -7.366 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 11.038 -30.126 -8.761 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 9.990 -15.523 -11.011 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 10.598 -15.105 -10.386 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 9.882 -16.423 -10.673 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 10.193 -14.778 -13.727 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 10.464 -15.098 -12.850 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 9.346 -14.324 -13.558 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 12.927 -18.384 -6.820 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 12.803 -18.118 -5.886 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 13.875 -18.511 -6.904 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 17.150 -25.632 -2.566 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 16.645 -25.417 -3.358 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 17.322 -24.756 -2.145 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 9.069 -20.785 -9.758 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 8.893 -21.681 -9.421 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 9.878 -20.499 -9.271 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 12.502 -23.831 -6.156 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 12.754 -23.134 -5.517 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 13.067 -24.594 -5.913 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 4.166 -19.893 -9.194 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 5.146 -19.813 -9.106 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 4.022 -19.991 -10.147 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 4.982 -22.449 -4.906 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 4.485 -23.124 -5.425 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 4.614 -22.519 -4.010 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 3.715 -22.619 -2.196 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 3.080 -23.068 -2.808 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 3.154 -22.267 -1.497 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 7.931 -14.197 -12.335 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 7.069 -14.401 -11.925 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 8.584 -14.612 -11.737 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 17.871 -25.470 -15.007 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 17.141 -25.111 -14.452 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 18.622 -25.517 -14.408 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 15.491 -13.441 -18.584 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 15.788 -13.117 -19.460 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 15.114 -14.310 -18.767 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 1.100 -18.062 -9.937 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 1.767 -17.496 -9.504 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 0.966 -18.795 -9.305 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 7.477 -11.677 -18.191 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 6.945 -11.394 -17.416 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 7.884 -10.845 -18.517 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 13.186 -14.472 -15.680 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 14.167 -14.405 -15.744 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 12.943 -13.768 -15.068 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 6.645 -23.112 1.077 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 6.505 -22.295 0.575 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 6.262 -23.809 0.507 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 12.584 -17.860 -4.106 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 12.053 -17.088 -3.886 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 13.261 -17.896 -3.387 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 13.214 -25.195 -13.645 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 12.657 -24.778 -14.329 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 13.417 -26.090 -14.019 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 9.659 -22.133 1.569 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 9.755 -21.244 1.969 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 8.741 -22.381 1.757 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -1.189 -18.325 -11.474 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -0.363 -18.089 -11.008 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -1.888 -18.149 -10.826 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 1.724 -23.617 -3.758 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 1.092 -23.133 -4.309 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 1.299 -24.483 -3.612 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 6.171 -21.428 -1.200 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 6.787 -22.060 -1.627 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 5.302 -21.659 -1.575 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 15.784 -24.181 -13.814 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 14.887 -24.535 -13.630 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 15.755 -23.260 -13.472 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 14.335 -20.116 -0.814 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 13.580 -19.964 -0.207 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 14.285 -21.077 -1.025 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 15.879 -13.879 -15.910 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 16.767 -13.624 -15.646 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 15.822 -13.611 -16.853 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 9.897 -21.784 -6.514 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 8.942 -21.620 -6.358 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 10.343 -21.339 -5.762 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 5.538 -15.016 -11.191 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 5.811 -15.190 -10.258 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 5.140 -15.846 -11.475 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 6.373 -18.420 -13.891 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 6.983 -18.778 -13.209 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 6.204 -19.177 -14.482 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 8.578 -19.497 -4.658 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 8.334 -19.513 -3.723 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 9.537 -19.716 -4.660 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 -1.555 -27.301 -4.923 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 -1.998 -28.078 -4.524 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 -1.044 -26.908 -4.187 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 8.267 -19.357 -12.069 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 8.560 -19.944 -11.342 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 9.070 -19.239 -12.619 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 7.152 -22.802 -8.491 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 7.087 -22.274 -7.670 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 6.283 -23.248 -8.560 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 3.134 -13.029 -15.258 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 2.156 -13.147 -15.184 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 3.455 -13.126 -14.334 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 12.563 -16.563 1.315 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 12.299 -16.516 2.266 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 12.253 -15.731 0.942 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 11.033 -11.557 -18.164 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 10.946 -12.507 -17.937 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 12.011 -11.417 -18.222 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 6.947 -19.636 0.902 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 6.216 -19.841 1.527 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 6.710 -20.124 0.090 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 11.237 -20.235 -4.666 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 11.899 -20.922 -4.416 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 11.711 -19.389 -4.516 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 4.194 -25.633 -3.914 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 3.931 -26.498 -4.288 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 3.976 -24.997 -4.628 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 9.604 -23.795 -0.759 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 9.574 -23.220 0.031 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 8.738 -23.662 -1.187 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 11.469 -16.787 -15.034 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 10.956 -16.044 -14.641 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 12.239 -16.349 -15.441 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 6.370 -26.818 -2.740 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 5.679 -26.370 -3.271 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 5.917 -27.051 -1.915 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 13.145 -22.106 -4.034 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 12.556 -22.622 -3.427 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 13.942 -21.947 -3.506 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 7.311 -23.641 -2.385 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 6.660 -24.157 -1.857 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 7.320 -24.083 -3.243 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 5.303 -24.653 -0.863 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 4.962 -25.562 -0.736 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 4.625 -24.220 -1.414 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 1.066 -9.358 -14.270 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 1.872 -9.774 -14.655 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 1.325 -9.132 -13.370 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 -1.107 -11.062 -13.754 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 -1.965 -10.591 -13.725 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 -0.455 -10.361 -13.937 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 14.928 -21.954 3.131 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 15.282 -21.124 2.761 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 14.021 -22.020 2.752 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 10.199 -19.090 -16.355 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 10.630 -18.221 -16.243 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 10.125 -19.434 -15.447 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 10.590 -19.000 -13.599 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 11.397 -19.458 -13.338 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 10.909 -18.161 -13.999 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 15.884 -21.479 -13.414 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 15.921 -21.100 -14.301 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 16.298 -20.816 -12.853 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 16.527 -23.304 -16.340 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 17.339 -23.832 -16.377 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 16.099 -23.590 -15.508 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 12.179 -25.917 -11.163 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 11.809 -26.765 -11.436 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 12.661 -25.600 -11.960 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 1.102 -21.826 -10.132 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 0.225 -22.019 -9.736 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 1.719 -21.873 -9.374 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 14.446 -22.779 -1.175 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 14.260 -23.646 -1.588 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 14.893 -23.007 -0.334 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 13.865 -25.244 -2.267 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 14.290 -25.988 -1.791 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 13.688 -25.600 -3.150 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 15.924 -26.898 -16.390 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 15.834 -26.286 -17.125 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 16.727 -26.592 -15.921 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 11.930 -26.654 -8.155 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 12.264 -26.424 -9.038 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 11.613 -27.579 -8.252 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 11.116 -23.673 -10.013 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 11.708 -22.922 -10.142 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 11.549 -24.410 -10.500 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 13.621 -26.283 -5.596 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 13.747 -27.041 -4.986 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 13.174 -26.668 -6.367 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 0.249 -26.664 -0.283 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 -0.680 -26.824 0.022 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 0.714 -26.387 0.515 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 13.652 -27.486 -14.983 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 14.480 -27.391 -15.507 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 13.157 -28.176 -15.443 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 2.812 -21.864 -7.893 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 3.464 -21.201 -8.216 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 3.363 -22.649 -7.669 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 -2.414 -25.745 -14.451 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 -2.291 -26.686 -14.709 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 -2.821 -25.790 -13.576 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 10.712 -6.425 -13.937 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 10.535 -6.257 -14.883 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 11.678 -6.559 -13.897 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 4.957 -16.553 -6.335 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 5.750 -17.141 -6.316 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 5.003 -16.067 -5.504 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 7.175 -18.087 -6.702 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 7.781 -18.526 -6.072 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 7.130 -18.703 -7.462 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 8.466 -28.419 -9.326 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 7.948 -29.229 -9.290 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 9.361 -28.693 -9.047 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 11.922 -30.479 -13.384 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 11.260 -31.196 -13.355 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 12.557 -30.714 -12.683 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 11.263 -29.233 -15.739 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 10.809 -30.051 -16.035 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 11.601 -29.464 -14.841 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 4.437 -27.311 -0.639 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 4.793 -28.235 -0.666 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 3.482 -27.426 -0.722 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 14.243 -17.633 -1.893 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 14.330 -18.569 -1.598 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 14.784 -17.138 -1.264 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 3.304 -22.911 15.881 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 2.524 -23.229 16.384 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 3.797 -22.370 16.529 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 12.658 -18.533 10.807 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 13.486 -18.103 11.120 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 12.262 -18.902 11.624 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 3.655 -19.636 13.142 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 3.843 -20.441 12.623 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 4.111 -18.920 12.649 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 0.796 -21.795 11.851 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 0.535 -22.735 11.975 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 1.045 -21.498 12.747 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 10.920 -20.588 10.195 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 11.358 -21.288 10.714 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 11.558 -19.853 10.207 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 13.274 -24.711 11.791 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 12.858 -24.416 10.953 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 14.037 -25.251 11.487 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 7.725 -20.709 15.072 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 7.458 -20.864 15.990 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 8.665 -20.419 15.141 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 2.365 -19.788 17.134 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 1.504 -19.445 17.456 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 2.673 -19.105 16.503 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 3.218 -18.332 5.412 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 3.635 -17.483 5.200 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 2.718 -18.149 6.227 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 10.699 -17.182 13.656 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 10.914 -18.053 13.257 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 11.574 -16.749 13.763 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 12.132 -18.167 8.120 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 12.518 -18.971 7.708 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 12.389 -18.236 9.065 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 10.078 -19.371 15.415 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 10.370 -18.473 15.180 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 10.096 -19.378 16.404 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 16.444 -24.657 13.738 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 15.495 -24.532 13.946 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 16.528 -24.359 12.811 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 13.828 -22.180 15.961 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 13.882 -22.900 15.301 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 13.218 -22.530 16.644 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 5.194 -17.489 12.358 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 5.089 -16.549 12.623 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 5.981 -17.786 12.861 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 6.437 -22.850 13.758 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 6.930 -23.165 12.971 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 6.951 -22.076 14.072 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 4.124 -21.589 18.162 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 3.532 -20.889 17.797 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 3.571 -22.042 18.832 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 7.839 -13.505 13.226 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 8.341 -14.282 12.875 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 7.484 -13.079 12.437 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 12.353 -19.344 0.970 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 12.449 -18.373 0.916 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 11.589 -19.473 1.576 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 -1.185 -22.500 17.084 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 -0.265 -22.823 17.214 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 -1.590 -22.578 17.972 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 5.718 -16.634 15.956 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 6.160 -16.427 16.813 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 6.386 -17.158 15.462 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 9.012 -15.697 12.108 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 9.675 -16.162 12.660 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 9.046 -16.171 11.248 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 2.370 -16.875 7.738 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 2.963 -17.090 8.500 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 1.487 -16.863 8.123 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 11.958 -16.588 3.960 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 11.019 -16.671 4.236 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 12.443 -16.474 4.805 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 14.786 -17.331 3.992 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 14.607 -17.048 4.909 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 13.904 -17.431 3.603 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 0.155 -18.499 18.257 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 -0.275 -18.462 19.135 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 -0.593 -18.445 17.628 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 6.440 -26.912 1.306 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 5.614 -26.986 0.805 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 6.225 -26.285 2.029 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 0.645 -28.210 2.875 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 0.279 -28.928 3.428 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 1.475 -27.940 3.344 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 12.309 -23.337 17.917 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 11.511 -23.908 17.881 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 12.967 -23.881 18.400 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 3.478 -23.570 4.282 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 3.622 -22.631 4.529 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 2.535 -23.728 4.484 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 12.569 -21.994 11.970 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 13.512 -21.697 11.975 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 12.630 -22.960 12.054 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 9.945 -19.301 18.101 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 10.512 -19.887 18.645 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 9.278 -18.955 18.731 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 4.036 -22.385 12.453 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 4.850 -22.570 12.971 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 3.315 -22.559 13.077 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 10.738 -19.453 5.441 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 10.479 -18.596 5.814 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 10.806 -20.044 6.221 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 1.307 -23.417 17.714 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 1.557 -22.868 18.485 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 1.217 -24.317 18.091 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 6.397 -20.800 19.448 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 6.174 -21.145 20.319 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 5.662 -21.108 18.872 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 13.140 -15.951 14.259 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 12.509 -15.717 14.980 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 13.779 -15.232 14.264 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 14.682 -17.379 12.265 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 14.158 -17.034 13.010 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 15.589 -17.451 12.623 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 12.515 -21.955 1.902 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 11.592 -22.241 1.767 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 12.553 -21.074 1.484 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 13.658 -24.452 14.441 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 12.925 -24.895 14.891 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 13.419 -24.500 13.485 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 9.413 -17.381 9.939 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 10.265 -17.466 9.485 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 8.928 -18.189 9.688 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 0.672 -23.649 4.441 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 0.454 -23.109 3.675 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 0.244 -24.518 4.251 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 5.768 -12.831 16.458 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 6.542 -13.189 16.913 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 5.986 -11.888 16.315 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 6.913 -16.404 6.235 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 5.981 -16.171 6.025 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 7.204 -15.699 6.824 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 11.549 -19.708 13.074 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 11.179 -19.934 13.947 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 11.898 -20.565 12.733 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 1.290 -16.389 14.448 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 2.039 -16.920 14.805 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 0.866 -16.979 13.813 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 8.248 -17.775 2.420 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 7.809 -18.514 1.929 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 7.882 -16.980 2.021 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 6.095 -18.377 8.053 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 6.383 -17.813 7.309 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 6.921 -18.783 8.379 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 3.898 -20.980 5.080 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 3.537 -20.071 5.182 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 4.298 -21.177 5.952 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 13.390 -16.491 6.306 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 12.926 -17.093 6.935 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 13.742 -15.793 6.868 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 7.883 -24.254 18.273 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 7.256 -24.368 17.526 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 7.623 -23.418 18.671 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 9.319 -16.898 4.823 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 8.953 -17.250 3.986 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 8.529 -16.711 5.367 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 4.742 -21.414 7.722 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 4.753 -20.496 8.030 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 4.091 -21.860 8.310 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 2.868 -27.296 4.194 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 3.116 -27.566 5.102 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 3.617 -26.765 3.893 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 4.213 -15.714 6.045 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 3.612 -16.075 6.736 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 3.764 -14.921 5.734 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 -0.301 -9.603 20.240 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 -0.002 -8.787 19.798 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 0.504 -10.156 20.292 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 10.300 -19.638 2.745 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 9.620 -18.942 2.645 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 10.494 -19.647 3.712 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 7.732 -14.812 20.942 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 8.494 -14.225 20.879 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 7.796 -15.187 21.846 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 15.195 -17.316 1.133 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 15.466 -17.077 2.036 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 14.252 -17.062 1.093 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 4.937 -19.823 2.766 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 4.723 -18.988 3.194 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 4.618 -20.499 3.395 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 11.633 -23.647 -2.491 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 10.910 -23.703 -1.824 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 12.315 -24.258 -2.157 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 13.710 -19.171 18.674 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 13.319 -18.334 18.945 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 13.016 -19.837 18.874 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 6.049 -24.054 16.212 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 5.089 -23.930 16.229 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 6.316 -23.715 15.334 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 5.457 -24.947 2.955 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 4.744 -24.472 3.439 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 5.963 -24.236 2.519 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 11.769 -21.010 19.286 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 11.605 -21.357 20.192 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 11.920 -21.819 18.745 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 7.261 -18.113 14.196 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 8.151 -17.861 13.906 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 7.350 -19.057 14.453 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 10.428 -25.260 18.351 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 10.629 -25.179 19.310 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 9.481 -24.992 18.282 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 14.989 -19.763 16.091 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 14.463 -19.292 16.759 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 14.525 -20.630 15.988 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 15.240 -21.575 12.141 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 15.682 -20.962 12.762 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 15.973 -22.086 11.749 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 1.759 -21.135 14.386 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 2.423 -20.487 14.068 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 2.259 -21.704 15.010 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 16.724 -20.118 14.004 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 16.126 -19.928 14.764 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 16.991 -19.230 13.686 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 14.921 -28.421 19.807 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 14.743 -29.345 20.095 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 14.600 -27.879 20.556 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 3.347 -17.951 15.321 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 4.183 -17.488 15.556 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 3.596 -18.531 14.567 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 7.004 -16.119 18.395 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 7.194 -15.528 19.147 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 7.303 -16.999 18.707 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 11.098 -15.238 15.929 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 10.334 -15.659 15.518 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 10.714 -14.494 16.445 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 1.427 -13.584 13.794 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 2.350 -13.364 14.031 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 1.390 -14.554 13.855 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 6.037 -10.220 15.253 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 6.463 -9.431 15.666 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 5.274 -9.849 14.763 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 8.372 -11.571 15.181 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 7.520 -11.083 15.108 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 8.295 -12.283 14.504 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 -0.324 -14.931 16.173 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 0.277 -15.457 15.604 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 -1.083 -14.722 15.586 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 4.117 -17.489 9.731 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 4.886 -17.772 9.191 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 4.462 -17.466 10.645 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 5.528 -15.093 13.689 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 6.393 -14.643 13.617 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 5.561 -15.538 14.565 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 11.856 -20.485 25.656 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 11.697 -21.292 26.182 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 10.981 -20.042 25.624 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 0.352 -21.391 30.686 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 0.673 -21.794 29.869 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 0.022 -22.155 31.215 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 5.292 -17.819 28.072 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 4.648 -18.523 27.842 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 6.146 -18.293 28.135 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 0.696 -25.694 25.676 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 0.355 -26.510 26.096 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 0.863 -25.951 24.758 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 12.835 -24.401 25.073 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 12.384 -24.953 24.404 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 13.785 -24.554 24.908 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 9.208 -19.833 25.538 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 8.678 -19.825 24.708 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 8.970 -20.680 25.965 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 6.645 -23.799 27.679 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 5.886 -23.704 27.056 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 6.848 -24.742 27.658 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 2.200 -24.144 27.406 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 3.032 -23.870 26.975 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 1.719 -24.641 26.706 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 5.510 -31.516 27.083 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 4.960 -30.943 27.663 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 5.138 -32.409 27.209 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 7.540 -20.005 23.426 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 7.519 -19.150 22.948 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 6.599 -20.269 23.474 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 11.246 -21.968 21.812 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 12.021 -21.712 22.373 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 10.496 -21.535 22.238 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 4.575 -23.504 25.959 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 4.725 -24.227 25.307 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 4.398 -22.724 25.414 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 7.440 -19.704 27.745 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 7.981 -20.523 27.759 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 7.840 -19.175 27.032 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 4.276 -20.952 31.126 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 4.843 -21.264 30.385 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 4.736 -21.247 31.917 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 13.248 -21.069 23.419 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 12.793 -20.771 24.241 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 14.084 -21.427 23.730 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 7.675 -15.457 23.656 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 7.247 -15.469 24.534 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 8.331 -14.722 23.718 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 14.024 -30.025 25.560 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 14.929 -29.678 25.707 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 14.042 -30.903 25.948 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 2.227 -19.405 30.326 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 2.984 -19.901 30.724 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 1.440 -19.938 30.577 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 0.578 -17.303 29.382 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 1.099 -16.817 28.724 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 1.168 -18.024 29.665 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 9.434 -13.404 23.520 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 10.198 -13.375 24.139 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 9.308 -12.469 23.256 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 12.764 -15.153 26.419 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 13.684 -15.406 26.542 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 12.272 -15.971 26.556 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 3.860 -29.875 28.532 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 3.386 -29.404 27.819 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 3.645 -29.376 29.327 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 16.204 -22.930 19.910 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 15.332 -22.993 20.321 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 16.212 -22.041 19.494 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 2.874 -26.791 29.268 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 2.200 -26.148 29.569 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 3.711 -26.397 29.533 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 11.397 -22.953 26.886 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 11.813 -23.453 26.139 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 11.935 -23.187 27.649 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 8.756 -22.038 27.115 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 8.151 -22.797 27.243 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 9.650 -22.446 27.067 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 -0.713 -23.717 31.602 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 -1.407 -24.398 31.708 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 0.014 -24.188 31.150 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 7.546 -24.377 24.633 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 7.465 -23.539 24.164 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 6.675 -24.822 24.488 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 5.699 -21.539 28.903 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 6.060 -22.390 28.571 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 6.290 -20.860 28.513 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 4.848 -20.311 23.187 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 4.554 -19.566 22.627 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 4.257 -20.267 23.972 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 8.758 -26.768 24.302 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 9.199 -27.085 25.102 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 8.449 -25.860 24.537 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 15.681 -24.933 24.396 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 16.384 -24.366 24.006 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 16.033 -25.844 24.309 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 3.628 -20.009 27.925 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 4.233 -20.690 28.291 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 2.992 -19.841 28.646 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 6.810 -17.652 22.215 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 7.242 -16.953 22.755 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 5.859 -17.463 22.306 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 -2.063 -20.218 31.101 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 -1.158 -20.584 30.985 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 -2.375 -20.617 31.947 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 17.225 -23.445 22.682 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 16.850 -23.649 21.810 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 17.900 -22.764 22.496 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 2.401 -17.355 25.058 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 1.529 -17.099 24.727 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 2.437 -16.972 25.965 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 3.127 -20.009 25.237 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 3.229 -20.120 26.207 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 2.830 -19.080 25.136 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 0.988 -24.783 29.702 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 0.217 -25.194 29.289 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 1.490 -24.397 28.942 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 3.719 -16.934 30.388 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 3.177 -17.729 30.545 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 4.456 -17.252 29.839 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 11.356 -26.101 23.339 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 10.408 -26.286 23.464 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 11.789 -26.970 23.494 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 4.755 -16.336 23.774 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 3.936 -16.782 24.063 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 5.218 -16.116 24.611 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 5.227 -27.618 26.128 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 4.293 -27.810 26.357 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 5.172 -26.834 25.534 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 2.558 -28.080 26.889 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 2.653 -27.542 27.707 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 1.591 -28.166 26.776 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 5.092 -14.381 21.786 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 5.954 -14.468 21.337 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 5.104 -15.087 22.465 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 7.789 -18.439 19.695 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 7.550 -18.105 20.587 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 7.282 -19.278 19.610 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 16.120 -20.496 18.568 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 16.117 -20.390 17.597 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 15.346 -19.970 18.862 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 18.811 -20.648 19.221 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 19.014 -21.450 18.691 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 17.872 -20.456 19.012 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 11.605 -27.011 16.541 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 11.452 -27.789 17.114 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 11.160 -26.279 17.015 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 -1.828 -20.200 27.285 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 -2.576 -19.888 27.838 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 -1.657 -19.456 26.677 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 14.599 -24.920 21.889 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 14.375 -25.871 22.004 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 14.954 -24.657 22.758 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 11.279 -24.718 20.917 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 11.420 -25.202 21.760 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 11.252 -23.778 21.185 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 13.741 -25.179 19.373 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 12.848 -25.486 19.605 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 14.172 -25.027 20.247 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 -2.660 -25.720 31.382 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 -2.836 -26.654 31.148 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 -3.029 -25.625 32.289 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 7.223 -10.379 29.306 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 6.678 -9.779 29.860 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 6.869 -11.264 29.500 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 3.425 -14.199 30.655 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 3.538 -15.180 30.669 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 2.694 -14.034 31.292 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 6.093 -15.749 26.115 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 5.964 -16.455 26.774 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 5.946 -14.918 26.624 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 5.505 -12.429 30.200 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 4.874 -13.126 30.486 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 5.299 -11.675 30.770 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 12.173 -28.655 24.074 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 12.846 -29.127 24.620 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 11.331 -29.093 24.307 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 16.634 -29.262 26.073 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 17.174 -30.087 26.013 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 17.042 -28.767 26.791 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 18.341 -31.379 26.096 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 18.905 -31.077 25.344 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 18.950 -31.848 26.672 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 7.036 -29.590 25.889 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 6.625 -30.403 26.267 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 6.482 -28.860 26.242 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 16.563 -27.578 23.866 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 17.377 -27.849 23.386 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 16.526 -28.187 24.631 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 14.224 -27.594 22.359 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 13.550 -28.084 22.873 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 15.051 -27.708 22.878 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 11.509 -13.036 25.245 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 11.897 -13.841 25.654 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 12.059 -12.319 25.569 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 10.732 -1.131 -23.864 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 10.722 -0.309 -23.323 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 11.601 -1.519 -23.685 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 2.332 1.769 -26.690 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 1.903 0.941 -26.994 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 2.179 1.775 -25.725 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 1.433 -0.604 -27.772 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 1.354 -0.430 -28.733 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 2.264 -1.125 -27.691 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 6.568 0.939 -25.636 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 6.036 0.792 -26.451 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 7.362 0.363 -25.760 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 15.967 -12.470 -23.937 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 16.524 -11.891 -24.511 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 16.162 -13.361 -24.246 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 9.498 -5.975 -23.528 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 9.224 -6.628 -24.209 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 9.302 -5.100 -23.941 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 11.585 -7.000 -27.808 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 11.961 -7.888 -27.999 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 11.996 -6.747 -26.961 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 3.057 -6.855 -24.459 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 2.726 -7.203 -23.606 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 2.820 -7.550 -25.112 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 5.593 -3.792 -27.373 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 6.439 -3.789 -27.866 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 5.183 -4.654 -27.607 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 17.554 -11.185 -25.727 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 17.357 -10.333 -26.136 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 18.397 -11.446 -26.114 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 12.318 -6.302 -25.173 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 11.711 -5.555 -25.235 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 13.031 -5.978 -24.587 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 12.480 -9.591 -28.017 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 12.083 -9.933 -27.202 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 12.750 -10.377 -28.499 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 5.035 -10.739 -25.754 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 4.519 -10.540 -24.947 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 4.368 -11.118 -26.370 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 13.712 -2.003 -22.537 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 13.267 -1.603 -21.761 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 14.413 -1.354 -22.766 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 4.171 0.626 -30.302 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 4.484 0.742 -31.202 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 3.209 0.468 -30.400 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 4.776 0.861 -27.661 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 4.691 0.844 -28.644 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 3.997 1.376 -27.365 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 15.378 0.186 -22.833 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 16.262 0.511 -23.032 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 14.885 0.974 -22.579 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 1.878 0.957 -24.036 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 1.450 0.218 -24.505 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 1.384 1.014 -23.192 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 -1.805 2.591 -22.972 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 -1.959 3.427 -22.512 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 -2.611 2.059 -22.780 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 14.115 -8.509 -21.285 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 13.785 -9.174 -21.920 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 15.007 -8.832 -21.048 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 4.767 -6.356 -27.650 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 5.688 -6.682 -27.529 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 4.315 -7.091 -28.090 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 9.593 -2.790 -27.288 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 10.405 -2.871 -27.804 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 8.916 -3.250 -27.833 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 7.368 -5.185 -19.875 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 8.161 -4.651 -19.726 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 7.303 -5.739 -19.076 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 9.233 -3.496 -24.634 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 9.304 -3.257 -25.581 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 9.584 -2.712 -24.166 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 -1.245 -7.796 -29.211 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 -1.808 -7.498 -29.934 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 -1.798 -8.409 -28.715 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 11.133 -8.917 -25.205 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 11.762 -8.170 -25.157 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 10.263 -8.486 -25.318 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 2.156 -8.727 -26.220 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 1.863 -8.256 -27.031 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 2.508 -9.579 -26.555 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 1.405 -7.521 -28.576 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 1.591 -6.606 -28.263 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 0.444 -7.509 -28.792 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 8.509 -7.929 -25.220 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 8.149 -8.802 -24.938 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 8.059 -7.750 -26.076 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 2.109 -9.985 -29.583 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 1.915 -9.071 -29.283 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 1.961 -9.959 -30.532 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 3.841 -1.691 -27.147 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 4.500 -2.403 -27.297 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 4.348 -0.863 -27.284 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 11.105 1.163 -22.335 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 11.072 1.950 -22.930 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 10.570 1.430 -21.555 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 1.405 0.457 -30.358 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 1.336 1.355 -29.947 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 0.687 0.436 -31.000 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 7.712 1.978 -23.275 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 7.477 1.600 -24.144 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 8.119 2.840 -23.492 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 8.809 -0.537 -25.853 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 9.471 -0.591 -25.136 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 9.107 -1.200 -26.501 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 6.189 3.764 -25.714 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 6.481 2.943 -26.141 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 5.358 3.520 -25.280 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 9.306 -6.588 -29.195 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 10.118 -6.695 -28.632 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 9.579 -6.916 -30.060 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 7.888 -4.221 -28.889 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 7.590 -4.100 -29.799 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 8.374 -5.077 -28.907 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 15.227 -9.106 -18.203 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 15.732 -9.204 -19.034 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 15.375 -8.189 -17.940 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 1.257 -12.233 -25.019 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 0.732 -11.465 -24.722 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 1.104 -12.911 -24.324 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 9.884 1.570 -19.907 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 9.186 2.183 -19.608 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 10.285 1.238 -19.079 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 12.349 -0.605 -20.544 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 12.077 -0.231 -19.682 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 11.968 0.014 -21.203 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 9.305 -2.244 -18.859 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 10.082 -2.747 -19.180 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 8.878 -2.851 -18.209 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 12.082 -4.346 -17.237 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 12.132 -3.496 -16.756 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 12.018 -4.078 -18.183 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 11.804 -3.197 -19.720 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 11.734 -3.685 -20.569 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 12.104 -2.301 -19.983 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 8.679 -9.281 -19.078 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 8.761 -8.708 -19.873 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 9.456 -9.041 -18.526 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 2.017 -3.007 -25.618 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 1.284 -2.420 -25.371 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 2.669 -2.411 -26.042 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 11.389 -4.814 -21.882 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 12.220 -4.857 -22.403 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 10.714 -5.198 -22.479 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 13.719 -4.670 -23.304 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 13.752 -3.699 -23.124 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 14.540 -5.007 -22.925 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 13.490 -6.809 -14.199 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 14.070 -6.186 -13.743 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 13.823 -7.678 -13.941 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 3.167 -10.664 -23.753 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 2.423 -10.032 -23.681 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 2.768 -11.445 -24.191 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 2.189 -5.225 -27.261 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 3.119 -5.513 -27.241 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 2.185 -4.388 -26.747 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 13.841 -6.499 -16.978 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 13.720 -6.684 -16.029 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 13.342 -5.670 -17.123 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 -2.031 -11.302 -19.792 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 -2.780 -10.741 -20.094 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 -2.394 -12.198 -19.787 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 7.467 3.004 -19.554 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 7.508 3.001 -18.565 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 7.639 3.935 -19.800 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 7.274 5.326 -21.075 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 7.656 5.908 -21.763 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 6.691 4.714 -21.581 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 15.688 -12.516 -21.190 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 15.989 -12.507 -22.123 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 14.748 -12.794 -21.249 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 8.385 4.506 -24.240 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 7.646 4.325 -24.866 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 8.205 5.414 -23.919 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 10.852 3.290 -24.085 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 10.017 3.803 -24.053 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 11.111 3.321 -25.008 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 -1.079 1.714 -25.489 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 -0.970 2.489 -26.048 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 -1.329 2.081 -24.616 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 1.463 2.833 -29.066 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 1.575 3.787 -29.117 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 1.817 2.595 -28.180 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 4.512 2.067 -24.122 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 5.137 1.484 -24.609 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 3.669 1.567 -24.121 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 7.239 -7.440 -27.591 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 7.972 -7.236 -28.213 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 6.839 -8.271 -27.950 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 10.187 -13.914 -25.694 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 9.747 -13.609 -26.495 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 9.627 -14.667 -25.383 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 2.807 -11.220 -27.209 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 2.093 -11.749 -26.800 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 2.482 -11.033 -28.119 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 5.829 -9.668 -28.187 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 5.446 -10.318 -28.787 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 5.629 -10.019 -27.294 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 7.393 -10.342 -24.358 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 6.660 -10.533 -24.981 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 7.355 -11.077 -23.716 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 -1.294 -3.951 -11.401 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 -1.266 -4.695 -10.752 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 -0.361 -3.726 -11.537 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 -0.887 -5.737 -9.448 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 -0.926 -6.427 -8.779 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 0.044 -5.765 -9.770 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 0.449 -3.353 -13.946 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 0.211 -2.400 -13.859 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 -0.419 -3.807 -14.068 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 3.273 -10.385 -15.603 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 3.171 -11.363 -15.531 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 3.146 -10.200 -16.557 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 8.305 -4.100 -17.121 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 8.852 -4.835 -16.795 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 7.402 -4.312 -16.802 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 10.817 -8.781 -17.512 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 10.973 -9.738 -17.382 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 11.579 -8.486 -18.064 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 2.662 -2.547 -15.498 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 1.931 -2.823 -14.916 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 2.259 -2.515 -16.388 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 9.204 -7.507 -21.152 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 9.248 -7.023 -22.000 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 9.519 -6.854 -20.489 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 4.236 -6.298 -10.283 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 4.853 -6.185 -11.030 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 4.803 -6.325 -9.509 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 0.926 -8.165 -16.747 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 0.233 -8.699 -17.201 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 0.903 -8.484 -15.819 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 1.586 -5.630 -10.687 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 2.447 -5.896 -10.296 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 1.812 -5.387 -11.601 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 5.865 -4.908 -15.959 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 6.113 -5.778 -15.627 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 5.638 -4.398 -15.152 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 5.160 -3.896 -13.479 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 4.204 -4.086 -13.373 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 5.596 -4.535 -12.879 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 6.685 0.404 -15.638 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 5.984 -0.020 -15.100 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 7.133 -0.333 -16.061 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 10.493 -5.856 -19.516 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 11.204 -6.500 -19.309 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 10.860 -5.329 -20.256 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 12.169 -1.812 -15.989 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 12.975 -1.464 -15.588 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 11.505 -1.744 -15.291 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 7.915 -0.308 -20.345 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 8.655 0.332 -20.346 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 8.274 -1.083 -19.867 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 1.314 -1.919 -17.848 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 0.527 -1.414 -17.559 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 2.003 -1.240 -17.974 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 8.065 -7.067 -13.974 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 8.113 -7.307 -14.910 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 8.997 -6.840 -13.739 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 8.480 4.760 -15.276 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 8.192 5.168 -14.427 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 9.440 4.838 -15.260 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 6.426 -5.900 -12.071 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 7.137 -5.598 -11.492 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 6.890 -6.392 -12.783 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 6.891 -9.592 -13.721 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 6.837 -9.860 -12.799 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 7.287 -8.701 -13.691 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 7.990 6.316 -13.099 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 7.662 7.140 -13.514 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 8.150 6.560 -12.183 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 4.878 -7.441 -18.199 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 5.670 -7.024 -17.801 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 5.249 -8.145 -18.776 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 3.654 -0.493 -18.066 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 3.279 0.131 -17.397 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 4.361 -0.951 -17.592 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 7.657 2.719 -16.891 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 7.923 3.389 -16.224 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 7.340 1.960 -16.355 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 11.029 -0.233 -18.086 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 11.516 -0.709 -17.390 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 10.329 -0.865 -18.360 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 4.804 -1.264 -14.437 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 4.051 -1.681 -14.917 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 5.220 -2.010 -13.964 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 7.241 8.558 -14.539 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 7.895 9.196 -14.844 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 7.098 7.966 -15.322 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 2.617 0.203 -13.549 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 2.897 1.009 -13.096 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 3.455 -0.283 -13.713 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 10.089 -6.274 -16.600 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 10.738 -5.655 -17.007 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 10.404 -7.167 -16.878 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 3.187 -5.831 -16.623 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 3.879 -5.165 -16.467 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 3.639 -6.518 -17.146 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 2.565 -4.975 -13.303 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 2.609 -5.567 -14.068 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 1.814 -4.376 -13.506 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 4.177 -13.128 -12.745 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 4.725 -13.691 -12.160 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 3.704 -12.548 -12.140 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 5.977 -10.949 -15.924 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 5.063 -10.607 -15.871 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 6.444 -10.487 -15.188 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 2.310 0.880 -16.200 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 1.874 1.745 -16.059 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 2.393 0.508 -15.300 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 7.576 -7.067 -17.693 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 7.748 -7.936 -18.108 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 8.460 -6.753 -17.426 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 6.956 6.806 -16.551 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 7.361 5.956 -16.294 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 6.637 6.655 -17.462 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 4.224 -6.795 11.901 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 4.051 -6.559 10.981 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 3.958 -5.992 12.410 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 4.017 -12.899 14.293 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 4.466 -13.648 13.848 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 4.488 -12.819 15.151 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 4.031 -8.809 13.878 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 3.324 -9.435 13.609 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 4.041 -8.138 13.163 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 6.600 -6.999 13.309 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 5.889 -6.980 12.640 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 6.528 -7.872 13.708 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 3.430 -4.805 13.590 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 2.763 -5.449 13.914 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 2.975 -3.946 13.653 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 9.652 -2.057 19.613 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 9.990 -2.759 19.008 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 9.781 -1.241 19.121 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 0.953 -3.772 14.455 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 0.327 -3.498 15.128 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 0.952 -4.745 14.505 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 5.907 -4.837 14.837 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 6.333 -5.478 14.231 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 5.057 -4.628 14.402 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 1.474 -6.526 14.471 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 1.718 -7.002 15.287 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 0.958 -7.187 13.960 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 10.580 -3.976 17.891 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 9.927 -4.705 17.866 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 11.226 -4.212 17.218 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 8.596 -5.903 18.150 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 7.689 -5.793 17.800 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 8.514 -5.657 19.103 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 2.193 -10.885 13.577 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 2.980 -11.373 13.900 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 1.538 -11.589 13.410 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 5.127 -7.941 19.294 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 5.798 -7.486 18.761 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 4.284 -7.518 19.024 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 5.976 -5.982 17.243 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 5.034 -5.944 17.481 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 6.036 -5.425 16.421 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 7.419 -8.101 16.138 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 6.929 -7.335 16.498 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 8.279 -7.736 15.889 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 2.578 -8.423 16.237 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 3.225 -8.482 15.507 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 2.943 -7.736 16.830 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 4.870 -7.559 21.993 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 5.029 -7.800 21.058 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 3.922 -7.315 22.015 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 7.982 -10.749 18.101 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 8.455 -9.996 18.507 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 8.226 -10.703 17.166 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 9.611 -8.463 18.561 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 9.299 -7.552 18.378 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 9.927 -8.788 17.690 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 10.182 -9.653 16.149 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 11.079 -9.875 15.876 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 9.615 -10.245 15.614 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 1.608 -11.459 20.707 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 1.358 -11.513 21.662 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 1.020 -12.108 20.273 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 0.560 -7.228 19.083 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 0.155 -7.389 18.196 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 -0.164 -6.790 19.601 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 0.199 -8.800 13.694 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 0.886 -9.497 13.713 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 -0.558 -9.225 13.277 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 9.759 -13.118 17.032 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 9.571 -12.624 17.840 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 9.280 -12.628 16.336 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 -1.674 1.366 27.656 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 -1.060 2.084 27.474 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 -2.473 1.608 27.176 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 0.671 -7.096 24.530 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 1.388 -6.489 24.250 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 0.677 -7.028 25.513 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 -0.208 -3.432 29.158 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 -0.288 -2.452 29.147 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 -1.058 -3.738 28.836 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 1.797 -11.018 27.916 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 1.104 -10.382 27.650 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 1.909 -10.853 28.871 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 6.378 -6.296 30.041 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 7.292 -6.111 30.276 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 6.441 -6.740 29.158 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 1.386 -6.880 27.132 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 0.967 -7.681 27.511 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 1.500 -6.285 27.901 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 4.384 -9.235 27.863 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 3.898 -9.047 28.689 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 5.213 -8.728 27.953 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 5.348 -13.636 27.661 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 5.634 -13.179 28.477 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 4.377 -13.569 27.680 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 3.124 -5.944 24.504 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 3.638 -5.396 23.874 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 3.477 -5.697 25.371 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 4.095 -4.689 29.807 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 4.465 -3.841 30.064 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 4.847 -5.312 29.884 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 4.632 -4.205 22.989 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 5.430 -3.995 23.514 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 4.950 -4.184 22.061 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 2.613 -13.594 28.124 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 2.827 -13.669 29.081 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 2.347 -12.647 28.009 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 5.258 -10.577 18.482 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 6.221 -10.753 18.433 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 5.198 -9.705 18.923 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 1.509 -5.489 29.509 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 2.441 -5.182 29.617 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 0.987 -4.652 29.436 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 7.295 -4.198 23.809 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 7.965 -3.643 23.367 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 7.432 -5.091 23.425 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 6.600 -7.544 27.651 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 7.232 -8.195 27.284 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 6.340 -6.997 26.873 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 5.941 -6.108 25.422 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 6.470 -5.331 25.164 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 5.761 -6.561 24.586 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 5.489 -8.836 30.777 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 5.807 -7.915 30.763 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 4.516 -8.752 30.696 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 2.837 -8.586 30.140 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 2.173 -7.880 30.118 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 2.331 -9.382 30.419 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 9.278 -3.075 22.086 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 10.039 -2.752 22.580 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 9.346 -2.615 21.211 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 -0.998 -0.825 29.145 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 -1.178 -0.427 29.999 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 -1.227 -0.122 28.500 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 3.070 -6.541 18.159 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 3.128 -5.627 18.538 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 2.174 -6.850 18.431 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 3.251 -4.282 19.566 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 2.675 -4.152 20.350 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 4.153 -4.104 19.899 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 10.266 -9.029 21.162 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 10.838 -8.298 21.410 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 10.053 -8.858 20.219 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 8.432 -8.658 24.329 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 8.732 -9.474 23.883 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 8.361 -8.913 25.271 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 9.014 -10.823 22.712 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 8.235 -10.882 22.148 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 9.628 -10.235 22.209 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 2.188 -6.954 21.622 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 1.594 -7.127 20.869 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 2.049 -6.001 21.820 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 2.709 -16.315 27.574 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 3.577 -16.624 27.889 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 2.707 -15.355 27.777 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 5.799 -3.944 20.524 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 6.594 -4.520 20.508 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 6.136 -3.072 20.281 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 8.216 -5.233 20.731 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 8.738 -4.559 21.218 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 7.985 -5.898 21.418 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 1.541 -10.974 30.673 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 0.640 -11.265 30.415 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 1.816 -11.630 31.338 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 -0.198 -7.356 30.463 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 -0.669 -7.004 31.223 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 0.381 -6.614 30.173 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 8.226 -9.712 26.888 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 8.730 -10.507 26.683 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 7.874 -9.881 27.797 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 7.314 -6.730 22.798 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 7.756 -7.438 23.332 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 6.448 -7.129 22.539 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 1.310 11.717 -21.113 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 0.452 12.162 -20.969 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 1.671 11.596 -20.215 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 4.156 8.852 -24.478 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 4.040 9.356 -25.287 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 3.490 9.230 -23.860 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 2.261 9.759 -22.716 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 1.456 9.210 -22.635 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 1.991 10.632 -22.346 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 7.474 6.951 -23.331 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 6.495 6.858 -23.348 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 7.632 7.841 -23.668 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 2.270 10.991 -18.608 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 2.704 11.627 -18.027 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 1.441 10.760 -18.135 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 2.585 6.394 -21.371 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 2.828 7.152 -20.793 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 2.571 5.629 -20.770 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 2.983 8.823 -20.170 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 2.935 9.199 -21.074 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 2.901 9.605 -19.583 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 4.726 6.568 -23.164 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 4.551 7.325 -23.774 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 3.913 6.513 -22.618 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 5.397 4.010 -22.494 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 5.046 3.422 -23.197 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 5.138 4.912 -22.787 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 -0.157 10.338 -17.494 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 -0.552 10.104 -18.367 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 -0.218 9.521 -16.981 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 3.558 6.083 -17.872 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 4.445 6.307 -18.235 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 3.303 5.272 -18.351 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 -0.875 13.021 -17.631 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 -0.629 12.105 -17.390 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 -0.984 13.468 -16.786 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 -1.029 9.836 -20.047 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 -1.260 10.766 -20.261 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 -0.534 9.527 -20.830 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 5.935 6.596 -19.126 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 5.842 7.468 -19.534 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 6.460 6.080 -19.783 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 4.553 8.399 -14.010 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 5.515 8.467 -14.187 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 4.413 8.970 -13.250 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 3.199 4.142 -13.870 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 3.189 5.031 -14.289 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 3.967 4.162 -13.292 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 2.988 6.544 -15.206 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 3.371 6.475 -16.107 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 3.525 7.248 -14.770 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 23.065 -59.207 -8.498 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 23.690 -59.572 -9.155 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 22.757 -59.972 -8.015 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 21.300 -51.843 -5.912 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 20.441 -52.085 -6.337 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 21.705 -51.206 -6.535 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 21.099 -56.092 -0.103 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 20.137 -56.196 -0.233 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 21.446 -56.985 -0.198 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 24.130 -50.707 -1.504 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 23.648 -51.514 -1.786 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 23.864 -50.032 -2.159 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 22.710 -53.899 -4.768 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 22.776 -54.596 -5.426 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 22.197 -53.191 -5.216 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 17.106 -56.760 -2.662 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 16.547 -57.524 -2.424 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 17.709 -56.664 -1.897 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 21.167 -46.653 0.107 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 20.261 -46.824 0.478 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 21.414 -47.493 -0.299 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 16.077 -50.851 -5.977 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 16.603 -50.681 -5.172 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 16.645 -50.530 -6.707 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 20.221 -48.934 -8.287 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 20.271 -48.064 -7.826 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 21.048 -49.390 -8.025 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 24.680 -60.443 -10.350 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 24.391 -60.445 -11.267 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 25.628 -60.591 -10.397 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 13.519 -58.000 -0.537 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 13.428 -57.347 0.202 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 12.630 -58.392 -0.619 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 22.995 -48.779 -3.256 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 23.140 -48.643 -4.209 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 23.133 -47.890 -2.867 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 22.505 -52.743 -2.309 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 21.828 -52.088 -2.606 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 22.678 -53.287 -3.111 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 20.326 -59.103 -1.031 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 21.107 -59.611 -1.267 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 19.593 -59.546 -1.523 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 17.159 -52.920 -10.469 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 16.295 -53.072 -10.050 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 17.207 -51.949 -10.568 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 17.777 -50.024 -7.999 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 17.499 -50.119 -8.935 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 18.688 -49.650 -8.057 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 17.105 -55.965 -5.243 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 18.004 -56.027 -5.586 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 17.177 -56.296 -4.313 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 18.159 -60.284 -2.184 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 17.850 -61.192 -2.254 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 17.336 -59.758 -2.112 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 20.989 -50.765 -3.341 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 21.010 -51.029 -4.282 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 21.544 -49.963 -3.304 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 24.391 -52.265 0.952 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 24.668 -51.884 0.102 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 23.626 -52.834 0.718 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 18.889 -52.377 -7.042 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 18.188 -53.035 -7.050 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 18.458 -51.566 -7.371 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 22.602 -49.891 -7.375 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 23.406 -50.069 -7.877 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 22.845 -49.137 -6.790 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 19.478 -52.779 -11.922 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.645 -52.909 -11.419 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 19.836 -53.664 -12.015 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 16.617 -60.999 7.408 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 17.134 -60.842 8.226 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 17.305 -61.138 6.715 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 18.255 -60.202 9.508 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 18.752 -59.772 8.763 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 18.943 -60.613 10.042 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 15.580 -58.721 6.263 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 16.398 -58.401 5.812 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 15.861 -59.553 6.694 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 19.996 -56.577 7.148 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 20.558 -55.916 7.588 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 19.423 -56.049 6.557 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 14.228 -55.804 10.042 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 13.435 -55.283 10.263 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 14.531 -56.156 10.901 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 21.566 -52.600 9.777 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 21.602 -53.358 9.153 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 22.098 -52.883 10.522 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 19.456 -59.239 7.335 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.670 -58.285 7.209 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 19.166 -59.536 6.458 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 18.568 -57.148 -0.322 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 19.139 -57.905 -0.581 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 18.349 -57.326 0.613 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 22.064 -53.551 0.223 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 21.774 -54.492 0.179 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 22.208 -53.301 -0.720 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 21.951 -53.849 5.607 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 21.093 -53.549 5.256 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 22.605 -53.494 4.974 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 18.268 -55.146 5.543 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 17.734 -54.673 6.220 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 18.749 -54.425 5.073 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 20.535 -50.845 5.794 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 21.196 -50.404 5.226 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 20.846 -50.660 6.708 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 19.490 -52.975 4.489 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 19.911 -52.746 3.630 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 19.664 -52.185 5.057 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 17.745 -57.800 4.902 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 18.031 -56.893 5.145 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 18.036 -57.902 3.974 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 22.004 -54.794 8.115 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 22.683 -55.470 8.025 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 21.953 -54.385 7.212 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 17.012 -49.508 18.002 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 16.742 -50.157 17.316 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 17.783 -49.056 17.604 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 23.291 -52.530 3.502 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 22.386 -52.455 3.129 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 23.868 -52.592 2.714 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 20.875 -52.191 2.294 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 20.689 -51.258 2.033 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 21.223 -52.607 1.474 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 22.594 -49.921 4.129 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 23.303 -49.368 3.783 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 22.957 -50.831 4.088 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 21.607 -50.277 8.264 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 21.577 -51.094 8.806 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 21.604 -49.555 8.921 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 16.638 -53.950 7.472 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 16.375 -53.505 8.280 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 16.079 -54.762 7.450 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 16.172 -58.677 10.396 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 16.982 -59.182 10.160 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 15.539 -58.918 9.715 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 18.814 -48.186 16.281 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 18.163 -47.481 16.095 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 19.114 -48.475 15.386 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 19.089 -48.402 10.874 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 20.021 -48.558 10.614 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 18.946 -47.450 10.677 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 20.282 -49.557 1.925 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 20.775 -49.247 2.698 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 19.743 -48.778 1.654 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 19.317 -39.908 -4.135 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 19.336 -39.886 -3.158 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 18.647 -40.595 -4.342 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 14.281 -44.124 -12.707 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 13.674 -44.567 -12.063 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 15.122 -44.603 -12.603 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 18.347 -42.812 -7.377 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 17.525 -43.061 -6.922 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 19.028 -42.802 -6.663 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 20.137 -46.505 -7.093 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 20.187 -45.714 -7.677 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 20.515 -46.199 -6.245 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 20.158 -44.328 -8.731 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 19.446 -43.753 -8.359 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 20.929 -43.749 -8.768 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 20.553 -43.067 -5.804 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 21.063 -42.237 -5.643 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 21.066 -43.751 -5.351 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 20.214 -34.545 -3.850 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 20.470 -35.456 -4.086 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 20.395 -34.486 -2.889 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 23.493 -46.084 -2.843 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 24.434 -46.090 -2.553 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 23.069 -45.397 -2.273 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 19.975 -37.271 -4.664 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 19.767 -38.228 -4.576 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 19.103 -36.836 -4.616 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 24.558 -35.533 -0.947 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 24.028 -35.973 -0.244 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 24.930 -36.262 -1.453 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 19.975 -39.300 0.992 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 19.278 -39.295 1.697 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 19.485 -39.530 0.172 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 13.245 -35.955 -0.897 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 12.271 -35.844 -0.941 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 13.453 -36.515 -1.650 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 16.818 -35.671 -6.564 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 16.626 -36.425 -7.173 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 16.946 -36.098 -5.692 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 18.791 -39.905 -1.387 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 17.839 -39.987 -1.156 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 19.145 -40.830 -1.274 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 21.552 -45.784 -4.774 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 20.686 -45.901 -4.318 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 22.207 -45.756 -4.038 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 22.585 -38.067 -4.638 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 23.001 -37.487 -5.278 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 21.667 -37.730 -4.568 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 15.487 -47.120 -13.200 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 16.171 -46.428 -13.033 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 15.000 -47.182 -12.331 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 18.642 -46.013 -10.366 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 19.215 -45.369 -9.900 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 18.038 -46.345 -9.666 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 17.954 -35.971 1.928 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 17.382 -35.227 2.206 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 17.321 -36.647 1.595 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 17.267 -50.198 -10.671 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 18.092 -49.676 -10.814 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 16.794 -50.136 -11.539 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 21.688 -40.617 -5.350 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 22.261 -39.868 -5.098 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 20.813 -40.378 -4.984 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 17.523 -36.176 -3.951 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 17.484 -35.229 -3.746 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 17.799 -36.594 -3.101 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 25.811 -29.515 -0.260 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 26.347 -29.143 -0.964 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 24.891 -29.467 -0.607 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 18.632 -37.151 -1.680 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 19.272 -36.839 -1.021 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 18.733 -38.124 -1.668 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 17.019 -45.082 -12.429 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 17.184 -44.125 -12.563 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 17.639 -45.338 -11.713 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 23.252 -47.724 -5.816 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 22.548 -47.076 -5.588 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 24.073 -47.230 -5.695 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 16.277 -40.184 -0.197 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 15.362 -40.380 0.139 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 16.721 -41.074 -0.212 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 23.030 -36.793 0.956 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 22.075 -36.605 0.879 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 23.078 -37.779 0.987 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 22.697 -39.501 0.867 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 22.921 -40.438 0.807 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 21.718 -39.489 0.886 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 20.883 -41.992 1.513 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 20.513 -42.249 0.633 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 20.545 -41.096 1.657 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 21.747 -44.450 -1.459 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 21.138 -43.696 -1.316 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 21.454 -45.122 -0.811 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 19.134 -45.543 2.966 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 18.592 -44.795 2.622 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 18.992 -46.265 2.307 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 26.105 -46.420 -1.966 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 25.846 -46.455 -1.012 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 27.057 -46.544 -1.954 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 25.353 -46.687 0.602 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 24.621 -46.261 1.096 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 25.214 -47.647 0.751 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 24.784 -49.372 0.803 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 24.808 -50.171 1.347 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 24.543 -49.700 -0.089 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 23.101 -45.705 1.845 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 22.446 -46.076 1.216 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 22.671 -44.904 2.189 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 16.341 -40.707 -7.892 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 16.025 -41.546 -7.499 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 17.308 -40.778 -7.843 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 17.552 -47.075 -8.011 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 18.397 -46.902 -7.555 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 17.379 -48.012 -7.847 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 14.784 -49.629 -9.695 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 14.666 -48.696 -10.019 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 15.684 -49.867 -9.995 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 23.079 -33.424 -2.097 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 23.752 -34.054 -1.776 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 22.240 -33.772 -1.742 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 25.803 -33.745 0.822 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 25.356 -34.217 1.552 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 25.510 -34.219 0.022 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 20.654 -34.358 -1.055 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 20.578 -35.139 -0.470 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 20.379 -33.610 -0.491 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 21.002 -29.632 0.045 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 20.675 -30.530 0.254 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 20.495 -29.373 -0.751 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 22.044 -31.107 -3.097 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 21.453 -31.536 -3.727 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 22.580 -31.851 -2.731 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 19.463 -48.628 -10.911 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 19.213 -47.679 -10.937 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 19.899 -48.735 -10.040 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 19.316 -50.295 -13.161 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 19.571 -49.679 -12.448 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 19.453 -51.185 -12.770 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 20.684 -36.374 11.245 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 20.264 -36.657 12.084 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 20.683 -37.172 10.699 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 22.424 -45.791 9.535 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 21.881 -45.019 9.268 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 22.805 -46.120 8.686 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 18.657 -43.639 12.358 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 17.951 -42.983 12.596 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 19.476 -43.124 12.401 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 21.340 -44.642 14.714 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 21.321 -44.921 13.769 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 22.214 -44.898 15.015 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 22.343 -34.616 18.389 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 23.256 -34.749 18.114 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 21.840 -35.280 17.876 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 21.515 -45.508 12.148 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 20.639 -45.666 11.752 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 22.124 -45.525 11.385 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 20.032 -33.254 13.288 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 19.189 -33.753 13.424 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 20.662 -33.702 13.863 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 20.435 -40.996 9.777 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 21.041 -40.230 9.737 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 20.067 -40.965 10.691 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 24.058 -37.313 12.320 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 24.512 -38.153 12.416 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 23.450 -37.279 13.092 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 22.306 -37.363 14.429 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 22.167 -37.189 15.369 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 21.417 -37.263 14.034 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 19.636 -37.061 13.800 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 19.010 -36.287 13.803 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 19.367 -37.584 14.577 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 19.268 -34.367 16.564 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 19.171 -33.426 16.796 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 18.792 -34.458 15.703 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 19.028 -38.273 5.526 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 19.491 -38.935 6.082 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 18.758 -37.572 6.162 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 26.664 -31.989 9.733 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 25.921 -32.612 9.596 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 27.155 -32.013 8.890 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 19.519 -40.791 12.352 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 18.583 -41.021 12.583 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 19.800 -40.214 13.069 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 20.681 -43.700 8.932 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 20.598 -42.805 9.323 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 20.678 -43.537 7.967 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 21.305 -43.947 3.414 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 20.535 -44.550 3.283 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 21.154 -43.222 2.764 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 19.205 -45.649 10.499 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 18.783 -44.973 11.067 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 19.621 -45.130 9.783 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 20.523 -42.978 6.167 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 19.701 -43.506 6.017 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 21.076 -43.184 5.395 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 17.840 -43.267 2.305 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 17.870 -42.889 1.394 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 17.680 -42.503 2.877 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 18.348 -44.394 5.384 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 18.584 -44.990 4.644 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 17.577 -43.902 5.056 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 20.264 -40.366 7.096 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 20.142 -40.637 8.032 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 20.424 -41.212 6.625 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 21.913 -38.769 8.664 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 22.362 -37.999 8.261 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 21.518 -39.239 7.906 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 18.181 -39.040 2.962 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 17.374 -38.552 2.723 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 18.374 -38.758 3.881 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 22.963 -36.389 7.627 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 23.118 -36.069 8.540 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 22.304 -35.760 7.259 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 21.796 -32.886 8.362 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 21.468 -33.471 7.646 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 21.267 -33.156 9.154 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 24.154 -34.926 2.696 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 23.731 -35.656 2.197 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 24.272 -35.292 3.604 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 21.336 -34.668 6.245 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 21.923 -34.021 5.796 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 20.804 -35.054 5.517 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 24.521 -35.798 5.284 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 23.915 -36.166 5.956 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 25.270 -35.477 5.794 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 20.693 -30.987 5.738 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 21.553 -31.458 5.710 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 20.165 -31.495 6.383 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 22.896 -45.877 4.643 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 23.246 -46.115 3.767 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 22.283 -45.140 4.457 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 21.780 -48.343 10.257 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 22.511 -48.457 10.873 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 21.895 -47.426 9.919 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 17.304 -31.101 19.348 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 17.261 -30.166 19.048 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 16.458 -31.242 19.810 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 23.935 -32.183 3.013 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 24.717 -31.858 2.516 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 23.889 -33.140 2.783 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 19.834 -35.948 4.109 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 19.682 -36.802 4.555 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 19.221 -35.960 3.355 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 20.770 -36.507 16.960 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 20.237 -37.232 16.567 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 20.232 -35.691 16.786 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 20.256 -36.600 0.569 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 20.294 -37.568 0.733 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 19.481 -36.300 1.099 1.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 19.217 -38.617 16.144 1.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 19.549 -39.107 16.928 1.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 18.711 -39.296 15.636 1.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 19.039 -44.076 16.047 1.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 19.899 -44.226 15.588 1.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 18.596 -44.931 16.003 1.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 20.038 -47.061 18.435 1.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 20.864 -47.490 18.667 1.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 19.728 -47.546 17.640 1.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 18.471 -41.685 17.084 1.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 18.092 -41.241 16.291 1.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 18.733 -42.582 16.751 1.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 16.951 -46.159 16.071 1.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 17.094 -45.857 16.999 1.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 16.073 -46.595 16.095 1.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 22.914 -32.552 5.483 1.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 23.257 -32.472 4.566 1.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 23.663 -32.254 6.044 1.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 19.281 -48.394 13.610 1.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 18.979 -47.463 13.582 1.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 19.274 -48.671 12.676 1.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 16.023 -47.614 12.683 1.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 15.302 -46.953 12.721 1.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 16.835 -47.091 12.872 1.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 15.606 -33.193 21.592 1.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 16.509 -33.049 21.935 1.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 15.548 -34.168 21.476 1.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 22.390 -28.487 16.672 1.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 23.157 -28.160 17.159 1.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 22.747 -28.705 15.781 1.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 21.105 -30.724 13.326 1.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 20.670 -30.445 14.161 1.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 20.713 -31.606 13.141 1.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 22.351 -29.378 11.108 1.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 21.875 -29.995 11.700 1.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 22.738 -29.958 10.414 1.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 20.607 -33.698 10.628 1.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 20.315 -33.309 11.474 1.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 20.515 -34.665 10.770 1.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 23.311 -35.639 10.306 1.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 23.777 -36.209 10.961 1.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 22.391 -35.621 10.626 1.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 23.081 -46.938 7.172 1.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 22.889 -47.863 6.979 1.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 23.067 -46.501 6.289 1.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 27.713 -31.450 7.185 1.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 28.515 -30.931 7.299 1.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 27.549 -31.428 6.212 1.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 18.011 -45.984 13.534 1.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 17.609 -45.786 14.404 1.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 18.283 -45.102 13.186 1.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 17.691 -34.563 24.401 1.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 17.878 -33.908 23.693 1.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 17.553 -34.026 25.188 1.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 14.248 -45.166 20.298 1.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 14.441 -44.383 19.750 1.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 14.729 -45.893 19.853 1.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 19.976 -39.931 18.461 1.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 20.652 -40.397 18.969 1.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 19.420 -40.654 18.081 1.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 15.775 -39.707 21.091 1.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 15.335 -39.074 21.703 1.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 15.169 -40.456 21.058 1.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 17.749 -37.764 21.389 1.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 18.369 -37.704 20.634 1.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 17.247 -38.593 21.226 1.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 19.513 -35.112 21.131 1.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 19.184 -35.577 21.914 1.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 19.557 -35.808 20.444 1.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 18.129 -43.014 19.459 1.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 17.443 -42.552 19.949 1.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 18.171 -42.544 18.603 1.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 18.247 -32.883 22.360 1.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 18.675 -32.016 22.211 1.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 18.754 -33.500 21.800 1.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 19.592 -37.366 19.356 1.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 19.716 -38.317 19.140 1.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 20.027 -36.899 18.617 1.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 15.665 -35.914 21.371 1.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 15.050 -36.502 21.848 1.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 16.477 -36.447 21.282 1.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 19.992 -30.440 24.171 1.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 20.727 -30.801 23.630 1.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 19.730 -29.626 23.703 1.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 22.000 -31.535 22.567 1.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 21.742 -32.094 21.816 1.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 22.960 -31.560 22.564 1.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 20.966 -32.999 20.214 1.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 21.587 -33.437 19.588 1.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 20.459 -33.748 20.604 1.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 17.785 -45.571 18.646 1.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 17.941 -44.664 19.001 1.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 18.674 -45.996 18.677 1.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 19.514 -31.902 17.936 1.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 18.659 -31.710 18.382 1.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 20.044 -32.351 18.620 1.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 16.154 -29.507 0.170 1.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 15.534 -30.167 -0.198 1.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 16.661 -29.999 0.841 1.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 17.663 -23.296 -1.293 1.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 18.362 -23.682 -0.729 1.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 16.984 -23.000 -0.659 1.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 18.270 -31.112 -3.477 1.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 18.195 -31.956 -3.959 1.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 17.360 -30.756 -3.475 1.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 16.040 -19.925 1.491 1.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 15.932 -20.392 0.646 1.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 15.723 -19.014 1.298 1.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 17.456 -25.478 2.067 1.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 18.057 -25.362 1.294 1.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 17.615 -26.402 2.357 1.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 19.762 -26.487 -2.001 1.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 19.886 -27.432 -2.241 1.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 18.884 -26.260 -2.371 1.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 20.048 -29.262 -2.516 1.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 20.864 -29.743 -2.769 1.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 19.321 -29.840 -2.846 1.00 0.00 WAT1 ATOM 6776 OH2 TIP3 1457 22.002 -25.337 -0.772 1.00 0.00 WAT1 ATOM 6777 H1 TIP3 1457 22.642 -26.049 -0.861 1.00 0.00 WAT1 ATOM 6778 H2 TIP3 1457 21.280 -25.588 -1.384 1.00 0.00 WAT1 ATOM 6779 OH2 TIP3 1458 23.350 -29.272 -1.371 1.00 0.00 WAT1 ATOM 6780 H1 TIP3 1458 22.586 -29.336 -0.761 1.00 0.00 WAT1 ATOM 6781 H2 TIP3 1458 23.099 -29.842 -2.123 1.00 0.00 WAT1 ATOM 6782 OH2 TIP3 1459 18.448 -27.892 2.988 1.00 0.00 WAT1 ATOM 6783 H1 TIP3 1459 19.365 -28.010 2.715 1.00 0.00 WAT1 ATOM 6784 H2 TIP3 1459 18.022 -28.740 2.765 1.00 0.00 WAT1 ATOM 6785 OH2 TIP3 1460 26.212 -31.230 1.852 1.00 0.00 WAT1 ATOM 6786 H1 TIP3 1460 26.285 -32.093 1.379 1.00 0.00 WAT1 ATOM 6787 H2 TIP3 1460 26.161 -30.565 1.126 1.00 0.00 WAT1 ATOM 6788 OH2 TIP3 1461 26.804 -31.194 4.621 1.00 0.00 WAT1 ATOM 6789 H1 TIP3 1461 26.832 -31.162 3.641 1.00 0.00 WAT1 ATOM 6790 H2 TIP3 1461 25.861 -31.179 4.829 1.00 0.00 WAT1 ATOM 6791 OH2 TIP3 1462 15.340 -27.422 -1.420 1.00 0.00 WAT1 ATOM 6792 H1 TIP3 1462 16.149 -26.929 -1.674 1.00 0.00 WAT1 ATOM 6793 H2 TIP3 1462 15.660 -28.088 -0.767 1.00 0.00 WAT1 ATOM 6794 OH2 TIP3 1463 15.571 -30.306 -3.549 1.00 0.00 WAT1 ATOM 6795 H1 TIP3 1463 15.069 -29.527 -3.859 1.00 0.00 WAT1 ATOM 6796 H2 TIP3 1463 15.213 -30.475 -2.653 1.00 0.00 WAT1 ATOM 6797 OH2 TIP3 1464 22.137 -22.569 14.968 1.00 0.00 WAT1 ATOM 6798 H1 TIP3 1464 21.854 -23.192 15.672 1.00 0.00 WAT1 ATOM 6799 H2 TIP3 1464 21.832 -22.997 14.135 1.00 0.00 WAT1 ATOM 6800 OH2 TIP3 1465 24.399 -25.032 9.737 1.00 0.00 WAT1 ATOM 6801 H1 TIP3 1465 24.795 -24.909 10.620 1.00 0.00 WAT1 ATOM 6802 H2 TIP3 1465 24.664 -25.947 9.479 1.00 0.00 WAT1 ATOM 6803 OH2 TIP3 1466 21.863 -25.524 10.507 1.00 0.00 WAT1 ATOM 6804 H1 TIP3 1466 22.156 -26.118 11.244 1.00 0.00 WAT1 ATOM 6805 H2 TIP3 1466 22.706 -25.162 10.144 1.00 0.00 WAT1 ATOM 6806 OH2 TIP3 1467 19.591 -19.924 2.920 1.00 0.00 WAT1 ATOM 6807 H1 TIP3 1467 18.906 -19.528 3.500 1.00 0.00 WAT1 ATOM 6808 H2 TIP3 1467 19.237 -19.812 2.033 1.00 0.00 WAT1 ATOM 6809 OH2 TIP3 1468 23.355 -29.310 14.202 1.00 0.00 WAT1 ATOM 6810 H1 TIP3 1468 24.072 -29.578 13.613 1.00 0.00 WAT1 ATOM 6811 H2 TIP3 1468 22.586 -29.840 13.900 1.00 0.00 WAT1 ATOM 6812 OH2 TIP3 1469 23.069 -25.503 7.128 1.00 0.00 WAT1 ATOM 6813 H1 TIP3 1469 22.576 -24.849 6.593 1.00 0.00 WAT1 ATOM 6814 H2 TIP3 1469 23.589 -24.964 7.748 1.00 0.00 WAT1 ATOM 6815 OH2 TIP3 1470 21.282 -23.885 12.796 1.00 0.00 WAT1 ATOM 6816 H1 TIP3 1470 20.535 -23.428 12.386 1.00 0.00 WAT1 ATOM 6817 H2 TIP3 1470 21.611 -24.473 12.096 1.00 0.00 WAT1 ATOM 6818 OH2 TIP3 1471 20.013 -20.959 15.627 1.00 0.00 WAT1 ATOM 6819 H1 TIP3 1471 20.871 -21.354 15.377 1.00 0.00 WAT1 ATOM 6820 H2 TIP3 1471 19.352 -21.523 15.181 1.00 0.00 WAT1 ATOM 6821 OH2 TIP3 1472 21.393 -23.784 5.469 1.00 0.00 WAT1 ATOM 6822 H1 TIP3 1472 20.749 -24.250 4.894 1.00 0.00 WAT1 ATOM 6823 H2 TIP3 1472 21.619 -22.985 4.965 1.00 0.00 WAT1 ATOM 6824 OH2 TIP3 1473 17.287 -17.475 13.286 1.00 0.00 WAT1 ATOM 6825 H1 TIP3 1473 17.899 -17.209 12.594 1.00 0.00 WAT1 ATOM 6826 H2 TIP3 1473 17.738 -17.202 14.122 1.00 0.00 WAT1 ATOM 6827 OH2 TIP3 1474 22.872 -27.078 12.390 1.00 0.00 WAT1 ATOM 6828 H1 TIP3 1474 22.761 -27.951 11.952 1.00 0.00 WAT1 ATOM 6829 H2 TIP3 1474 23.130 -27.300 13.299 1.00 0.00 WAT1 ATOM 6830 OH2 TIP3 1475 19.714 -24.694 7.515 1.00 0.00 WAT1 ATOM 6831 H1 TIP3 1475 20.284 -24.262 6.848 1.00 0.00 WAT1 ATOM 6832 H2 TIP3 1475 19.045 -25.168 6.987 1.00 0.00 WAT1 ATOM 6833 OH2 TIP3 1476 21.365 -24.378 16.868 1.00 0.00 WAT1 ATOM 6834 H1 TIP3 1476 20.923 -25.227 17.089 1.00 0.00 WAT1 ATOM 6835 H2 TIP3 1476 22.269 -24.477 17.243 1.00 0.00 WAT1 ATOM 6836 OH2 TIP3 1477 23.785 -29.555 3.927 1.00 0.00 WAT1 ATOM 6837 H1 TIP3 1477 23.666 -30.494 3.678 1.00 0.00 WAT1 ATOM 6838 H2 TIP3 1477 24.188 -29.155 3.149 1.00 0.00 WAT1 ATOM 6839 OH2 TIP3 1478 24.629 -27.610 8.936 1.00 0.00 WAT1 ATOM 6840 H1 TIP3 1478 25.115 -28.304 9.444 1.00 0.00 WAT1 ATOM 6841 H2 TIP3 1478 24.646 -27.935 8.009 1.00 0.00 WAT1 ATOM 6842 OH2 TIP3 1479 19.577 -24.954 3.750 1.00 0.00 WAT1 ATOM 6843 H1 TIP3 1479 18.763 -24.935 3.205 1.00 0.00 WAT1 ATOM 6844 H2 TIP3 1479 20.303 -24.828 3.095 1.00 0.00 WAT1 ATOM 6845 OH2 TIP3 1480 19.266 -24.937 0.197 1.00 0.00 WAT1 ATOM 6846 H1 TIP3 1480 20.113 -24.772 0.661 1.00 0.00 WAT1 ATOM 6847 H2 TIP3 1480 19.513 -25.523 -0.553 1.00 0.00 WAT1 ATOM 6848 OH2 TIP3 1481 18.832 -16.737 15.405 1.00 0.00 WAT1 ATOM 6849 H1 TIP3 1481 19.286 -15.982 15.788 1.00 0.00 WAT1 ATOM 6850 H2 TIP3 1481 19.043 -17.481 16.019 1.00 0.00 WAT1 ATOM 6851 OH2 TIP3 1482 23.833 -25.227 14.393 1.00 0.00 WAT1 ATOM 6852 H1 TIP3 1482 22.884 -25.049 14.327 1.00 0.00 WAT1 ATOM 6853 H2 TIP3 1482 24.185 -24.964 13.518 1.00 0.00 WAT1 ATOM 6854 OH2 TIP3 1483 24.831 -23.725 12.231 1.00 0.00 WAT1 ATOM 6855 H1 TIP3 1483 24.896 -23.150 13.033 1.00 0.00 WAT1 ATOM 6856 H2 TIP3 1483 24.813 -23.100 11.498 1.00 0.00 WAT1 ATOM 6857 OH2 TIP3 1484 19.757 -23.788 10.138 1.00 0.00 WAT1 ATOM 6858 H1 TIP3 1484 19.567 -23.888 9.182 1.00 0.00 WAT1 ATOM 6859 H2 TIP3 1484 20.482 -24.422 10.300 1.00 0.00 WAT1 ATOM 6860 OH2 TIP3 1485 18.076 -22.448 14.325 1.00 0.00 WAT1 ATOM 6861 H1 TIP3 1485 17.593 -21.589 14.243 1.00 0.00 WAT1 ATOM 6862 H2 TIP3 1485 17.369 -23.120 14.330 1.00 0.00 WAT1 ATOM 6863 OH2 TIP3 1486 16.062 -23.304 0.995 1.00 0.00 WAT1 ATOM 6864 H1 TIP3 1486 15.730 -22.834 1.788 1.00 0.00 WAT1 ATOM 6865 H2 TIP3 1486 16.490 -24.107 1.359 1.00 0.00 WAT1 ATOM 6866 OH2 TIP3 1487 21.591 -21.808 3.091 1.00 0.00 WAT1 ATOM 6867 H1 TIP3 1487 20.770 -21.261 3.059 1.00 0.00 WAT1 ATOM 6868 H2 TIP3 1487 22.300 -21.160 3.125 1.00 0.00 WAT1 ATOM 6869 OH2 TIP3 1488 21.441 -24.316 1.830 1.00 0.00 WAT1 ATOM 6870 H1 TIP3 1488 21.949 -24.448 1.006 1.00 0.00 WAT1 ATOM 6871 H2 TIP3 1488 21.648 -23.395 2.098 1.00 0.00 WAT1 ATOM 6872 OH2 TIP3 1489 26.031 -29.437 10.353 1.00 0.00 WAT1 ATOM 6873 H1 TIP3 1489 26.181 -30.387 10.136 1.00 0.00 WAT1 ATOM 6874 H2 TIP3 1489 26.737 -29.224 10.968 1.00 0.00 WAT1 ATOM 6875 OH2 TIP3 1490 23.997 -28.194 6.345 1.00 0.00 WAT1 ATOM 6876 H1 TIP3 1490 23.833 -27.282 6.059 1.00 0.00 WAT1 ATOM 6877 H2 TIP3 1490 23.931 -28.723 5.518 1.00 0.00 WAT1 ATOM 6878 OH2 TIP3 1491 18.027 -26.200 5.778 1.00 0.00 WAT1 ATOM 6879 H1 TIP3 1491 18.555 -25.834 5.036 1.00 0.00 WAT1 ATOM 6880 H2 TIP3 1491 17.742 -27.075 5.457 1.00 0.00 WAT1 ATOM 6881 OH2 TIP3 1492 19.544 -18.742 17.118 1.00 0.00 WAT1 ATOM 6882 H1 TIP3 1492 19.781 -19.483 16.512 1.00 0.00 WAT1 ATOM 6883 H2 TIP3 1492 19.429 -19.171 17.980 1.00 0.00 WAT1 ATOM 6884 OH2 TIP3 1493 19.259 -23.146 18.162 1.00 0.00 WAT1 ATOM 6885 H1 TIP3 1493 20.098 -23.352 17.695 1.00 0.00 WAT1 ATOM 6886 H2 TIP3 1493 19.362 -23.574 19.038 1.00 0.00 WAT1 ATOM 6887 OH2 TIP3 1494 24.789 -22.208 14.450 1.00 0.00 WAT1 ATOM 6888 H1 TIP3 1494 25.162 -22.581 15.266 1.00 0.00 WAT1 ATOM 6889 H2 TIP3 1494 23.827 -22.138 14.637 1.00 0.00 WAT1 ATOM 6890 OH2 TIP3 1495 23.794 -24.601 18.102 1.00 0.00 WAT1 ATOM 6891 H1 TIP3 1495 24.218 -25.084 18.851 1.00 0.00 WAT1 ATOM 6892 H2 TIP3 1495 24.537 -24.413 17.487 1.00 0.00 WAT1 ATOM 6893 OH2 TIP3 1496 24.837 -25.767 20.305 1.00 0.00 WAT1 ATOM 6894 H1 TIP3 1496 24.327 -26.227 20.979 1.00 0.00 WAT1 ATOM 6895 H2 TIP3 1496 25.633 -25.447 20.783 1.00 0.00 WAT1 ATOM 6896 OH2 TIP3 1497 22.114 -23.268 19.788 1.00 0.00 WAT1 ATOM 6897 H1 TIP3 1497 22.702 -23.790 19.199 1.00 0.00 WAT1 ATOM 6898 H2 TIP3 1497 22.454 -22.372 19.724 1.00 0.00 WAT1 ATOM 6899 OH2 TIP3 1498 25.666 -24.283 16.151 1.00 0.00 WAT1 ATOM 6900 H1 TIP3 1498 26.519 -24.526 15.777 1.00 0.00 WAT1 ATOM 6901 H2 TIP3 1498 25.007 -24.701 15.545 1.00 0.00 WAT1 ATOM 6902 OH2 TIP3 1499 20.344 -26.822 17.564 1.00 0.00 WAT1 ATOM 6903 H1 TIP3 1499 19.599 -27.130 17.005 1.00 0.00 WAT1 ATOM 6904 H2 TIP3 1499 21.088 -27.410 17.314 1.00 0.00 WAT1 ATOM 6905 OH2 TIP3 1500 17.143 -18.872 3.768 1.00 0.00 WAT1 ATOM 6906 H1 TIP3 1500 16.809 -19.376 3.001 1.00 0.00 WAT1 ATOM 6907 H2 TIP3 1500 16.408 -18.272 3.994 1.00 0.00 WAT1 ATOM 6908 OH2 TIP3 1501 17.560 -23.054 11.653 1.00 0.00 WAT1 ATOM 6909 H1 TIP3 1501 18.006 -22.727 12.452 1.00 0.00 WAT1 ATOM 6910 H2 TIP3 1501 18.296 -23.281 11.042 1.00 0.00 WAT1 ATOM 6911 OH2 TIP3 1502 24.386 -33.428 9.049 1.00 0.00 WAT1 ATOM 6912 H1 TIP3 1502 24.267 -34.255 9.563 1.00 0.00 WAT1 ATOM 6913 H2 TIP3 1502 23.469 -33.154 8.832 1.00 0.00 WAT1 ATOM 6914 OH2 TIP3 1503 22.991 -30.471 8.701 1.00 0.00 WAT1 ATOM 6915 H1 TIP3 1503 22.481 -31.299 8.548 1.00 0.00 WAT1 ATOM 6916 H2 TIP3 1503 23.752 -30.547 8.093 1.00 0.00 WAT1 ATOM 6917 OH2 TIP3 1504 24.951 -31.626 7.060 1.00 0.00 WAT1 ATOM 6918 H1 TIP3 1504 24.853 -32.336 7.732 1.00 0.00 WAT1 ATOM 6919 H2 TIP3 1504 25.901 -31.396 7.095 1.00 0.00 WAT1 ATOM 6920 OH2 TIP3 1505 18.399 -28.138 16.128 1.00 0.00 WAT1 ATOM 6921 H1 TIP3 1505 17.966 -28.356 16.981 1.00 0.00 WAT1 ATOM 6922 H2 TIP3 1505 18.900 -28.948 15.897 1.00 0.00 WAT1 ATOM 6923 OH2 TIP3 1506 20.252 -30.141 15.923 1.00 0.00 WAT1 ATOM 6924 H1 TIP3 1506 20.043 -30.825 16.598 1.00 0.00 WAT1 ATOM 6925 H2 TIP3 1506 20.993 -29.635 16.316 1.00 0.00 WAT1 ATOM 6926 OH2 TIP3 1507 17.375 -28.458 18.678 1.00 0.00 WAT1 ATOM 6927 H1 TIP3 1507 16.477 -28.305 19.062 1.00 0.00 WAT1 ATOM 6928 H2 TIP3 1507 17.972 -27.929 19.252 1.00 0.00 WAT1 ATOM 6929 OH2 TIP3 1508 27.058 -24.980 21.713 1.00 0.00 WAT1 ATOM 6930 H1 TIP3 1508 27.330 -24.702 22.594 1.00 0.00 WAT1 ATOM 6931 H2 TIP3 1508 27.871 -24.969 21.197 1.00 0.00 WAT1 ATOM 6932 OH2 TIP3 1509 19.207 -21.768 21.708 1.00 0.00 WAT1 ATOM 6933 H1 TIP3 1509 19.773 -21.149 22.180 1.00 0.00 WAT1 ATOM 6934 H2 TIP3 1509 19.017 -21.317 20.853 1.00 0.00 WAT1 ATOM 6935 OH2 TIP3 1510 19.760 -24.284 20.642 1.00 0.00 WAT1 ATOM 6936 H1 TIP3 1510 20.698 -24.053 20.445 1.00 0.00 WAT1 ATOM 6937 H2 TIP3 1510 19.454 -23.555 21.217 1.00 0.00 WAT1 ATOM 6938 OH2 TIP3 1511 18.846 -28.455 22.441 1.00 0.00 WAT1 ATOM 6939 H1 TIP3 1511 19.018 -29.290 21.956 1.00 0.00 WAT1 ATOM 6940 H2 TIP3 1511 18.971 -27.761 21.765 1.00 0.00 WAT1 ATOM 6941 OH2 TIP3 1512 19.421 -30.745 21.033 1.00 0.00 WAT1 ATOM 6942 H1 TIP3 1512 20.119 -31.338 20.698 1.00 0.00 WAT1 ATOM 6943 H2 TIP3 1512 18.665 -30.895 20.425 1.00 0.00 WAT1 ATOM 6944 OH2 TIP3 1513 19.168 -26.907 20.103 1.00 0.00 WAT1 ATOM 6945 H1 TIP3 1513 19.708 -26.948 19.286 1.00 0.00 WAT1 ATOM 6946 H2 TIP3 1513 19.298 -25.986 20.425 1.00 0.00 WAT1 ATOM 6947 OH2 TIP3 1514 16.403 -9.877 -20.624 1.00 0.00 WAT1 ATOM 6948 H1 TIP3 1514 16.096 -10.805 -20.719 1.00 0.00 WAT1 ATOM 6949 H2 TIP3 1514 17.310 -9.895 -20.946 1.00 0.00 WAT1 END