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: -1887.57, 109.716, 155.292, 84.4356, 690.523, -666.054, -2266.84, 4.93658, 0.425365 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.708386E-03,0.481268,1.35603,42.5405,4.648042E-03,0.194269 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 56, 16 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:48 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 21.834 -10.109 -4.544 1.00 25.31 ATOM 2 CB MET 1 23.644 -9.124 -3.954 1.00 53.11 ATOM 3 HB1 MET 1 23.454 -8.376 -4.712 1.00 38.39 ATOM 4 HB2 MET 1 24.327 -9.857 -4.358 1.00 64.40 ATOM 5 CG MET 1 24.333 -8.441 -2.775 1.00 45.31 ATOM 6 HG1 MET 1 23.670 -7.684 -2.376 1.00 38.39 ATOM 7 HG2 MET 1 25.236 -7.966 -3.130 1.00 32.41 ATOM 8 SD MET 1 24.773 -9.585 -1.450 1.00 60.23 ATOM 9 CE MET 1 25.652 -8.492 -0.329 1.00 15.21 ATOM 10 HE1 MET 1 26.506 -8.065 -0.836 1.00 52.21 ATOM 11 HE2 MET 1 25.988 -9.053 0.529 1.00 41.50 ATOM 12 HE3 MET 1 24.992 -7.701 -0.003 1.00 51.44 ATOM 13 C MET 1 22.574 -11.111 -2.809 1.00 73.43 ATOM 14 O MET 1 23.245 -12.028 -3.286 1.00 61.21 ATOM 15 N MET 1 21.393 -8.889 -2.910 1.00 11.00 ATOM 16 HT1 MET 1 21.246 -8.032 -3.482 1.00 38.39 ATOM 17 HT2 MET 1 21.792 -8.607 -1.993 1.00 38.39 ATOM 18 HT3 MET 1 20.468 -9.343 -2.748 1.00 38.39 ATOM 19 CA MET 1 22.314 -9.826 -3.617 1.00 51.01 ATOM 20 N GLY 2 22.037 -11.176 -1.591 1.00 32.31 ATOM 21 HN GLY 2 21.519 -10.415 -1.254 1.00 38.39 ATOM 22 CA GLY 2 22.223 -12.353 -0.742 1.00 65.25 ATOM 23 HA1 GLY 2 23.088 -12.195 -0.115 1.00 38.39 ATOM 24 HA2 GLY 2 22.403 -13.216 -1.370 1.00 60.43 ATOM 25 C GLY 2 21.019 -12.638 0.149 1.00 4.31 ATOM 26 O GLY 2 21.147 -13.269 1.201 1.00 75.23 ATOM 27 N HIS 3 19.846 -12.165 -0.268 1.00 13.13 ATOM 28 HN HIS 3 19.813 -11.659 -1.107 1.00 38.39 ATOM 29 CA HIS 3 18.601 -12.391 0.473 1.00 53.45 ATOM 30 HA HIS 3 18.800 -13.131 1.237 1.00 54.10 ATOM 31 CB HIS 3 18.132 -11.097 1.151 1.00 23.45 ATOM 32 HB1 HIS 3 17.153 -11.257 1.582 1.00 38.39 ATOM 33 HB2 HIS 3 18.068 -10.313 0.411 1.00 41.12 ATOM 34 CG HIS 3 19.046 -10.626 2.241 1.00 63.25 ATOM 35 ND1 HIS 3 18.844 -10.922 3.569 1.00 72.42 ATOM 36 HD1 HIS 3 18.100 -11.447 3.931 1.00 10.13 ATOM 37 CD2 HIS 3 20.172 -9.875 2.197 1.00 21.42 ATOM 38 HD2 HIS 3 20.634 -9.463 1.312 1.00 71.33 ATOM 39 CE1 HIS 3 19.800 -10.379 4.293 1.00 35.43 ATOM 40 HE1 HIS 3 19.897 -10.452 5.366 1.00 52.31 ATOM 41 NE2 HIS 3 20.620 -9.738 3.487 1.00 14.20 ATOM 42 HE2 HIS 3 21.281 -9.072 3.783 1.00 38.39 ATOM 43 C HIS 3 17.504 -12.938 -0.452 1.00 64.32 ATOM 44 O HIS 3 16.821 -12.178 -1.143 1.00 52.30 ATOM 45 N HIS 4 17.363 -14.261 -0.478 1.00 40.03 ATOM 46 HN HIS 4 17.967 -14.812 0.065 1.00 38.39 ATOM 47 CA HIS 4 16.339 -14.918 -1.298 1.00 34.43 ATOM 48 HA HIS 4 16.317 -14.409 -2.253 1.00 14.34 ATOM 49 CB HIS 4 16.706 -16.393 -1.540 1.00 64.31 ATOM 50 HB1 HIS 4 17.521 -16.437 -2.250 1.00 38.39 ATOM 51 HB2 HIS 4 15.851 -16.905 -1.956 1.00 44.23 ATOM 52 CG HIS 4 17.130 -17.140 -0.307 1.00 73.40 ATOM 53 ND1 HIS 4 18.438 -17.496 -0.062 1.00 52.43 ATOM 54 HD1 HIS 4 19.206 -17.291 -0.637 1.00 4.45 ATOM 55 CD2 HIS 4 16.417 -17.612 0.746 1.00 23.01 ATOM 56 HD2 HIS 4 15.349 -17.520 0.890 1.00 23.04 ATOM 57 CE1 HIS 4 18.513 -18.151 1.077 1.00 61.54 ATOM 58 HE1 HIS 4 19.416 -18.554 1.515 1.00 51.35 ATOM 59 NE2 HIS 4 17.304 -18.235 1.593 1.00 73.23 ATOM 60 HE2 HIS 4 17.119 -18.463 2.529 1.00 38.39 ATOM 61 C HIS 4 14.948 -14.800 -0.658 1.00 21.12 ATOM 62 O HIS 4 14.755 -15.143 0.509 1.00 60.11 ATOM 63 N HIS 5 13.981 -14.321 -1.435 1.00 25.54 ATOM 64 HN HIS 5 14.184 -14.115 -2.373 1.00 38.39 ATOM 65 CA HIS 5 12.620 -14.104 -0.935 1.00 1.14 ATOM 66 HA HIS 5 12.691 -13.827 0.108 1.00 31.12 ATOM 67 CB HIS 5 11.957 -12.957 -1.704 1.00 50.43 ATOM 68 HB1 HIS 5 10.958 -12.802 -1.321 1.00 38.39 ATOM 69 HB2 HIS 5 11.899 -13.220 -2.751 1.00 52.23 ATOM 70 CG HIS 5 12.704 -11.659 -1.596 1.00 51.54 ATOM 71 ND1 HIS 5 12.307 -10.620 -0.783 1.00 21.25 ATOM 72 HD1 HIS 5 11.515 -10.614 -0.202 1.00 51.03 ATOM 73 CD2 HIS 5 13.835 -11.237 -2.210 1.00 64.22 ATOM 74 HD2 HIS 5 14.421 -11.796 -2.925 1.00 64.01 ATOM 75 CE1 HIS 5 13.159 -9.620 -0.902 1.00 13.20 ATOM 76 HE1 HIS 5 13.101 -8.675 -0.382 1.00 3.30 ATOM 77 NE2 HIS 5 14.094 -9.969 -1.760 1.00 64.44 ATOM 78 HE2 HIS 5 14.729 -9.347 -2.173 1.00 38.39 ATOM 79 C HIS 5 11.769 -15.378 -1.047 1.00 21.32 ATOM 80 O HIS 5 11.924 -16.164 -1.983 1.00 14.44 ATOM 81 N HIS 6 10.865 -15.573 -0.089 1.00 54.42 ATOM 82 HN HIS 6 10.766 -14.898 0.618 1.00 38.39 ATOM 83 CA HIS 6 10.008 -16.763 -0.069 1.00 61.53 ATOM 84 HA HIS 6 10.636 -17.621 -0.267 1.00 51.12 ATOM 85 CB HIS 6 9.362 -16.936 1.312 1.00 74.44 ATOM 86 HB1 HIS 6 8.750 -17.827 1.306 1.00 38.39 ATOM 87 HB2 HIS 6 8.736 -16.079 1.519 1.00 3.20 ATOM 88 CG HIS 6 10.352 -17.066 2.429 1.00 11.14 ATOM 89 ND1 HIS 6 11.155 -18.175 2.596 1.00 75.30 ATOM 90 HD1 HIS 6 11.156 -18.968 2.026 1.00 60.30 ATOM 91 CD2 HIS 6 10.679 -16.220 3.436 1.00 33.30 ATOM 92 HD2 HIS 6 10.246 -15.248 3.625 1.00 72.42 ATOM 93 CE1 HIS 6 11.926 -18.006 3.650 1.00 21.33 ATOM 94 HE1 HIS 6 12.657 -18.709 4.018 1.00 32.22 ATOM 95 NE2 HIS 6 11.658 -16.832 4.175 1.00 12.22 ATOM 96 HE2 HIS 6 12.037 -16.486 5.013 1.00 38.39 ATOM 97 C HIS 6 8.916 -16.695 -1.146 1.00 33.01 ATOM 98 O HIS 6 8.271 -15.660 -1.334 1.00 74.55 ATOM 99 N HIS 7 8.724 -17.802 -1.858 1.00 44.22 ATOM 100 HN HIS 7 9.317 -18.569 -1.706 1.00 38.39 ATOM 101 CA HIS 7 7.665 -17.911 -2.868 1.00 71.23 ATOM 102 HA HIS 7 7.132 -16.970 -2.907 1.00 63.32 ATOM 103 CB HIS 7 8.265 -18.208 -4.249 1.00 42.51 ATOM 104 HB1 HIS 7 7.513 -18.031 -5.007 1.00 38.39 ATOM 105 HB2 HIS 7 8.568 -19.246 -4.289 1.00 21.03 ATOM 106 CG HIS 7 9.460 -17.375 -4.585 1.00 14.31 ATOM 107 ND1 HIS 7 10.711 -17.913 -4.791 1.00 3.03 ATOM 108 HD1 HIS 7 10.940 -18.868 -4.735 1.00 11.25 ATOM 109 CD2 HIS 7 9.595 -16.040 -4.762 1.00 45.32 ATOM 110 HD2 HIS 7 8.813 -15.298 -4.675 1.00 3.21 ATOM 111 CE1 HIS 7 11.562 -16.952 -5.078 1.00 53.52 ATOM 112 HE1 HIS 7 12.614 -17.080 -5.286 1.00 10.50 ATOM 113 NE2 HIS 7 10.912 -15.807 -5.068 1.00 13.41 ATOM 114 HE2 HIS 7 11.293 -14.938 -5.321 1.00 38.39 ATOM 115 C HIS 7 6.683 -19.029 -2.498 1.00 43.11 ATOM 116 O HIS 7 7.102 -20.118 -2.100 1.00 45.21 ATOM 117 N HIS 8 5.384 -18.764 -2.636 1.00 31.00 ATOM 118 HN HIS 8 5.104 -17.861 -2.896 1.00 38.39 ATOM 119 CA HIS 8 4.366 -19.800 -2.416 1.00 43.31 ATOM 120 HA HIS 8 4.486 -20.161 -1.403 1.00 1.34 ATOM 121 CB HIS 8 2.951 -19.224 -2.571 1.00 52.41 ATOM 122 HB1 HIS 8 2.255 -20.032 -2.750 1.00 38.39 ATOM 123 HB2 HIS 8 2.932 -18.548 -3.415 1.00 51.33 ATOM 124 CG HIS 8 2.478 -18.468 -1.366 1.00 32.43 ATOM 125 ND1 HIS 8 1.743 -19.053 -0.356 1.00 5.41 ATOM 126 HD1 HIS 8 1.464 -19.995 -0.322 1.00 1.40 ATOM 127 CD2 HIS 8 2.636 -17.172 -1.007 1.00 65.03 ATOM 128 HD2 HIS 8 3.165 -16.411 -1.564 1.00 34.11 ATOM 129 CE1 HIS 8 1.469 -18.152 0.566 1.00 24.42 ATOM 130 HE1 HIS 8 0.904 -18.324 1.471 1.00 42.23 ATOM 131 NE2 HIS 8 1.998 -17.006 0.197 1.00 41.10 ATOM 132 HE2 HIS 8 1.816 -16.142 0.624 1.00 38.39 ATOM 133 C HIS 8 4.566 -20.980 -3.376 1.00 14.05 ATOM 134 O HIS 8 4.222 -22.117 -3.052 1.00 34.30 ATOM 135 N SER 9 5.117 -20.690 -4.557 1.00 75.40 ATOM 136 HN SER 9 5.278 -19.749 -4.784 1.00 38.39 ATOM 137 CA SER 9 5.489 -21.726 -5.533 1.00 3.21 ATOM 138 HA SER 9 5.841 -21.226 -6.422 1.00 52.10 ATOM 139 CB SER 9 6.627 -22.600 -4.969 1.00 53.42 ATOM 140 HB1 SER 9 6.970 -23.282 -5.735 1.00 38.39 ATOM 141 HB2 SER 9 6.260 -23.165 -4.124 1.00 70.31 ATOM 142 OG SER 9 7.727 -21.805 -4.539 1.00 64.32 ATOM 143 HG SER 9 7.514 -21.406 -3.685 1.00 21.21 ATOM 144 C SER 9 4.287 -22.604 -5.911 1.00 44.23 ATOM 145 O SER 9 4.405 -23.827 -6.018 1.00 65.25 ATOM 146 N HIS 10 3.143 -21.966 -6.172 1.00 11.14 ATOM 147 HN HIS 10 3.148 -20.986 -6.210 1.00 38.39 ATOM 148 CA HIS 10 1.885 -22.686 -6.431 1.00 14.34 ATOM 149 HA HIS 10 1.817 -23.489 -5.709 1.00 73.32 ATOM 150 CB HIS 10 0.688 -21.744 -6.230 1.00 30.55 ATOM 151 HB1 HIS 10 0.664 -21.026 -7.037 1.00 38.39 ATOM 152 HB2 HIS 10 0.807 -21.218 -5.293 1.00 64.22 ATOM 153 CG HIS 10 -0.637 -22.451 -6.197 1.00 4.03 ATOM 154 ND1 HIS 10 -1.433 -22.614 -7.308 1.00 12.45 ATOM 155 HD1 HIS 10 -1.228 -22.295 -8.211 1.00 30.43 ATOM 156 CD2 HIS 10 -1.298 -23.053 -5.180 1.00 61.10 ATOM 157 HD2 HIS 10 -0.969 -23.119 -4.152 1.00 50.45 ATOM 158 CE1 HIS 10 -2.519 -23.280 -6.979 1.00 13.44 ATOM 159 HE1 HIS 10 -3.323 -23.550 -7.650 1.00 73.54 ATOM 160 NE2 HIS 10 -2.464 -23.561 -5.695 1.00 34.24 ATOM 161 HE2 HIS 10 -3.008 -24.255 -5.262 1.00 38.39 ATOM 162 C HIS 10 1.854 -23.304 -7.846 1.00 0.33 ATOM 163 O HIS 10 0.796 -23.699 -8.340 1.00 24.13 ATOM 164 N MET 11 3.016 -23.370 -8.494 1.00 63.45 ATOM 165 HN MET 11 3.788 -22.899 -8.124 1.00 38.39 ATOM 166 CA MET 11 3.169 -24.106 -9.757 1.00 30.42 ATOM 167 HA MET 11 2.639 -23.570 -10.531 1.00 11.25 ATOM 168 CB MET 11 4.656 -24.197 -10.123 1.00 11.32 ATOM 169 HB1 MET 11 4.755 -24.780 -11.029 1.00 38.39 ATOM 170 HB2 MET 11 5.178 -24.707 -9.326 1.00 75.43 ATOM 171 CG MET 11 5.339 -22.856 -10.347 1.00 55.34 ATOM 172 HG1 MET 11 5.056 -22.182 -9.552 1.00 38.39 ATOM 173 HG2 MET 11 5.015 -22.451 -11.296 1.00 71.24 ATOM 174 SD MET 11 7.138 -23.009 -10.364 1.00 63.02 ATOM 175 CE MET 11 7.348 -24.381 -11.501 1.00 5.04 ATOM 176 HE1 MET 11 8.400 -24.577 -11.638 1.00 12.54 ATOM 177 HE2 MET 11 6.899 -24.132 -12.451 1.00 52.52 ATOM 178 HE3 MET 11 6.869 -25.261 -11.096 1.00 60.34 ATOM 179 C MET 11 2.597 -25.533 -9.632 1.00 52.13 ATOM 180 O MET 11 2.793 -26.186 -8.608 1.00 23.01 ATOM 181 N PRO 12 1.902 -26.044 -10.666 1.00 54.32 ATOM 182 CA PRO 12 1.292 -27.387 -10.618 1.00 54.25 ATOM 183 HA PRO 12 0.523 -27.435 -9.858 1.00 54.31 ATOM 184 CB PRO 12 0.644 -27.547 -12.009 1.00 53.32 ATOM 185 HB1 PRO 12 -0.422 -27.376 -11.935 1.00 38.39 ATOM 186 HB2 PRO 12 0.823 -28.545 -12.387 1.00 53.30 ATOM 187 CG PRO 12 1.299 -26.513 -12.868 1.00 65.13 ATOM 188 HG1 PRO 12 0.613 -26.181 -13.634 1.00 38.39 ATOM 189 HG2 PRO 12 2.192 -26.924 -13.318 1.00 53.33 ATOM 190 CD PRO 12 1.650 -25.372 -11.952 1.00 72.23 ATOM 191 HD1 PRO 12 0.824 -24.679 -11.871 1.00 38.39 ATOM 192 HD2 PRO 12 2.536 -24.863 -12.301 1.00 65.03 ATOM 193 C PRO 12 2.323 -28.507 -10.356 1.00 33.51 ATOM 194 O PRO 12 3.076 -28.903 -11.253 1.00 51.15 ATOM 195 N ASP 13 2.368 -28.991 -9.113 1.00 54.00 ATOM 196 HN ASP 13 1.779 -28.601 -8.430 1.00 38.39 ATOM 197 CA ASP 13 3.263 -30.087 -8.729 1.00 73.31 ATOM 198 HA ASP 13 4.273 -29.792 -8.980 1.00 1.54 ATOM 199 CB ASP 13 3.176 -30.324 -7.216 1.00 35.21 ATOM 200 HB1 ASP 13 3.738 -31.211 -6.964 1.00 38.39 ATOM 201 HB2 ASP 13 2.142 -30.472 -6.940 1.00 52.41 ATOM 202 CG ASP 13 3.726 -29.160 -6.411 1.00 31.21 ATOM 203 OD1 ASP 13 3.010 -28.151 -6.235 1.00 13.20 ATOM 204 OD2 ASP 13 4.890 -29.236 -5.960 1.00 0.13 ATOM 205 C ASP 13 2.918 -31.379 -9.492 1.00 11.30 ATOM 206 O ASP 13 1.885 -32.004 -9.248 1.00 1.53 ATOM 207 N HIS 14 3.789 -31.778 -10.418 1.00 71.40 ATOM 208 HN HIS 14 4.633 -31.290 -10.519 1.00 38.39 ATOM 209 CA HIS 14 3.527 -32.940 -11.276 1.00 21.34 ATOM 210 HA HIS 14 2.460 -32.979 -11.454 1.00 23.23 ATOM 211 CB HIS 14 4.241 -32.778 -12.625 1.00 11.53 ATOM 212 HB1 HIS 14 4.047 -33.649 -13.236 1.00 38.39 ATOM 213 HB2 HIS 14 5.305 -32.695 -12.457 1.00 12.31 ATOM 214 CG HIS 14 3.803 -31.567 -13.396 1.00 31.02 ATOM 215 ND1 HIS 14 4.662 -30.802 -14.160 1.00 21.01 ATOM 216 HD1 HIS 14 5.625 -30.966 -14.281 1.00 75.44 ATOM 217 CD2 HIS 14 2.581 -30.996 -13.528 1.00 70.35 ATOM 218 HD2 HIS 14 1.663 -31.331 -13.066 1.00 62.53 ATOM 219 CE1 HIS 14 3.990 -29.817 -14.723 1.00 1.24 ATOM 220 HE1 HIS 14 4.404 -29.059 -15.373 1.00 21.23 ATOM 221 NE2 HIS 14 2.729 -29.913 -14.357 1.00 11.51 ATOM 222 HE2 HIS 14 2.023 -29.269 -14.586 1.00 38.39 ATOM 223 C HIS 14 3.955 -34.257 -10.606 1.00 41.34 ATOM 224 O HIS 14 5.004 -34.333 -9.965 1.00 54.42 ATOM 225 N GLY 15 3.134 -35.290 -10.779 1.00 74.12 ATOM 226 HN GLY 15 2.333 -35.168 -11.323 1.00 38.39 ATOM 227 CA GLY 15 3.408 -36.594 -10.183 1.00 45.35 ATOM 228 HA1 GLY 15 3.744 -36.454 -9.166 1.00 38.39 ATOM 229 HA2 GLY 15 4.193 -37.077 -10.747 1.00 72.41 ATOM 230 C GLY 15 2.177 -37.495 -10.174 1.00 71.11 ATOM 231 O GLY 15 2.102 -38.469 -10.922 1.00 3.12 ATOM 232 N ASP 16 1.188 -37.139 -9.357 1.00 0.31 ATOM 233 HN ASP 16 1.301 -36.336 -8.801 1.00 38.39 ATOM 234 CA ASP 16 -0.066 -37.903 -9.246 1.00 43.03 ATOM 235 HA ASP 16 0.181 -38.955 -9.272 1.00 40.45 ATOM 236 CB ASP 16 -0.730 -37.584 -7.900 1.00 53.34 ATOM 237 HB1 ASP 16 -0.074 -37.897 -7.099 1.00 38.39 ATOM 238 HB2 ASP 16 -1.661 -38.129 -7.825 1.00 4.24 ATOM 239 CG ASP 16 -1.022 -36.101 -7.732 1.00 3.24 ATOM 240 OD1 ASP 16 -2.211 -35.719 -7.695 1.00 74.34 ATOM 241 OD2 ASP 16 -0.062 -35.308 -7.638 1.00 41.24 ATOM 242 C ASP 16 -1.038 -37.595 -10.408 1.00 11.21 ATOM 243 O ASP 16 -2.260 -37.730 -10.271 1.00 45.22 ATOM 244 N TRP 17 -0.483 -37.211 -11.557 1.00 75.42 ATOM 245 HN TRP 17 0.490 -37.193 -11.623 1.00 38.39 ATOM 246 CA TRP 17 -1.278 -36.825 -12.731 1.00 14.22 ATOM 247 HA TRP 17 -2.265 -36.547 -12.392 1.00 23.35 ATOM 248 CB TRP 17 -0.628 -35.614 -13.423 1.00 53.53 ATOM 249 HB1 TRP 17 -1.177 -35.388 -14.329 1.00 38.39 ATOM 250 HB2 TRP 17 0.389 -35.866 -13.684 1.00 45.14 ATOM 251 CG TRP 17 -0.584 -34.366 -12.583 1.00 71.02 ATOM 252 CD1 TRP 17 0.018 -34.212 -11.366 1.00 3.20 ATOM 253 HD1 TRP 17 0.539 -34.999 -10.842 1.00 11.14 ATOM 254 CD2 TRP 17 -1.148 -33.090 -12.913 1.00 54.42 ATOM 255 NE1 TRP 17 -0.146 -32.925 -10.918 1.00 42.31 ATOM 256 HE1 TRP 17 0.196 -32.569 -10.067 1.00 11.15 ATOM 257 CE2 TRP 17 -0.860 -32.217 -11.849 1.00 43.14 ATOM 258 CE3 TRP 17 -1.876 -32.605 -14.004 1.00 31.03 ATOM 259 HE3 TRP 17 -2.118 -33.243 -14.842 1.00 32.21 ATOM 260 CZ2 TRP 17 -1.268 -30.885 -11.846 1.00 53.00 ATOM 261 HZ2 TRP 17 -1.041 -30.220 -11.024 1.00 22.01 ATOM 262 CZ3 TRP 17 -2.281 -31.283 -14.000 1.00 41.30 ATOM 263 HZ3 TRP 17 -2.844 -30.892 -14.836 1.00 21.13 ATOM 264 CH2 TRP 17 -1.979 -30.436 -12.926 1.00 22.21 ATOM 265 HH2 TRP 17 -2.317 -29.411 -12.966 1.00 22.21 ATOM 266 C TRP 17 -1.405 -37.981 -13.744 1.00 62.43 ATOM 267 O TRP 17 -2.311 -37.991 -14.578 1.00 41.35 ATOM 268 N THR 18 -0.494 -38.952 -13.669 1.00 53.34 ATOM 269 HN THR 18 0.142 -38.951 -12.924 1.00 38.39 ATOM 270 CA THR 18 -0.431 -40.039 -14.661 1.00 75.51 ATOM 271 HA THR 18 -1.015 -39.739 -15.523 1.00 31.34 ATOM 272 CB THR 18 1.023 -40.285 -15.136 1.00 41.23 ATOM 273 HB THR 18 1.413 -39.358 -15.537 1.00 54.01 ATOM 274 OG1 THR 18 1.049 -41.285 -16.172 1.00 3.23 ATOM 275 HG1 THR 18 1.918 -41.713 -16.185 1.00 15.33 ATOM 276 CG2 THR 18 1.920 -40.723 -13.980 1.00 43.15 ATOM 277 HG21 THR 18 1.905 -39.969 -13.207 1.00 24.51 ATOM 278 HG22 THR 18 2.932 -40.849 -14.337 1.00 14.21 ATOM 279 HG23 THR 18 1.561 -41.660 -13.577 1.00 74.45 ATOM 280 C THR 18 -1.000 -41.359 -14.122 1.00 43.13 ATOM 281 O THR 18 -0.994 -41.611 -12.917 1.00 25.44 ATOM 282 N TYR 19 -1.498 -42.195 -15.032 1.00 43.02 ATOM 283 HN TYR 19 -1.530 -41.903 -15.967 1.00 38.39 ATOM 284 CA TYR 19 -1.999 -43.532 -14.686 1.00 44.03 ATOM 285 HA TYR 19 -1.818 -43.705 -13.633 1.00 62.50 ATOM 286 CB TYR 19 -3.510 -43.637 -14.965 1.00 23.30 ATOM 287 HB1 TYR 19 -3.914 -44.471 -14.405 1.00 38.39 ATOM 288 HB2 TYR 19 -3.663 -43.820 -16.019 1.00 21.42 ATOM 289 CG TYR 19 -4.310 -42.401 -14.592 1.00 30.31 ATOM 290 CD1 TYR 19 -4.863 -41.591 -15.578 1.00 25.52 ATOM 291 HD1 TYR 19 -4.712 -41.852 -16.616 1.00 2.23 ATOM 292 CD2 TYR 19 -4.516 -42.047 -13.263 1.00 15.42 ATOM 293 HD2 TYR 19 -4.092 -42.662 -12.481 1.00 11.41 ATOM 294 CE1 TYR 19 -5.601 -40.472 -15.254 1.00 60.24 ATOM 295 HE1 TYR 19 -6.021 -39.859 -16.038 1.00 42.54 ATOM 296 CE2 TYR 19 -5.253 -40.924 -12.932 1.00 0.55 ATOM 297 HE2 TYR 19 -5.403 -40.664 -11.893 1.00 53.25 ATOM 298 CZ TYR 19 -5.792 -40.140 -13.932 1.00 3.03 ATOM 299 OH TYR 19 -6.536 -39.026 -13.609 1.00 64.23 ATOM 300 HH TYR 19 -7.322 -38.999 -14.169 1.00 1.25 ATOM 301 C TYR 19 -1.257 -44.599 -15.509 1.00 21.22 ATOM 302 O TYR 19 -1.504 -44.740 -16.711 1.00 44.22 ATOM 303 N GLU 20 -0.334 -45.331 -14.886 1.00 31.22 ATOM 304 HN GLU 20 -0.170 -45.188 -13.928 1.00 38.39 ATOM 305 CA GLU 20 0.461 -46.333 -15.615 1.00 1.21 ATOM 306 HA GLU 20 0.019 -46.421 -16.600 1.00 34.12 ATOM 307 CB GLU 20 1.919 -45.842 -15.798 1.00 41.53 ATOM 308 HB1 GLU 20 1.985 -45.316 -16.741 1.00 38.39 ATOM 309 HB2 GLU 20 2.572 -46.702 -15.841 1.00 55.31 ATOM 310 CG GLU 20 2.442 -44.905 -14.701 1.00 14.35 ATOM 311 HG1 GLU 20 1.753 -44.078 -14.600 1.00 38.39 ATOM 312 HG2 GLU 20 3.406 -44.522 -15.007 1.00 34.53 ATOM 313 CD GLU 20 2.602 -45.574 -13.343 1.00 13.12 ATOM 314 OE1 GLU 20 3.650 -46.214 -13.107 1.00 35.35 ATOM 315 OE2 GLU 20 1.675 -45.474 -12.514 1.00 15.12 ATOM 316 C GLU 20 0.422 -47.737 -14.975 1.00 41.40 ATOM 317 O GLU 20 0.080 -48.716 -15.646 1.00 62.13 ATOM 318 N GLU 21 0.741 -47.835 -13.689 1.00 54.10 ATOM 319 HN GLU 21 0.841 -47.017 -13.161 1.00 38.39 ATOM 320 CA GLU 21 0.925 -49.135 -13.028 1.00 30.34 ATOM 321 HA GLU 21 0.009 -49.696 -13.137 1.00 12.23 ATOM 322 CB GLU 21 2.072 -49.904 -13.716 1.00 23.53 ATOM 323 HB1 GLU 21 2.940 -49.259 -13.757 1.00 38.39 ATOM 324 HB2 GLU 21 1.771 -50.138 -14.727 1.00 22.41 ATOM 325 CG GLU 21 2.484 -51.208 -13.032 1.00 23.54 ATOM 326 HG1 GLU 21 2.784 -50.983 -12.017 1.00 38.39 ATOM 327 HG2 GLU 21 3.328 -51.623 -13.564 1.00 61.31 ATOM 328 CD GLU 21 1.383 -52.254 -12.997 1.00 32.12 ATOM 329 OE1 GLU 21 1.001 -52.684 -11.889 1.00 14.50 ATOM 330 OE2 GLU 21 0.905 -52.659 -14.080 1.00 23.44 ATOM 331 C GLU 21 1.236 -48.966 -11.532 1.00 3.05 ATOM 332 O GLU 21 0.477 -49.417 -10.670 1.00 41.34 ATOM 333 N GLN 22 2.352 -48.300 -11.241 1.00 63.15 ATOM 334 HN GLN 22 2.854 -47.877 -11.973 1.00 38.39 ATOM 335 CA GLN 22 2.849 -48.151 -9.869 1.00 71.11 ATOM 336 HA GLN 22 2.070 -47.692 -9.275 1.00 43.11 ATOM 337 CB GLN 22 3.192 -49.542 -9.281 1.00 35.24 ATOM 338 HB1 GLN 22 4.110 -49.892 -9.735 1.00 38.39 ATOM 339 HB2 GLN 22 2.399 -50.226 -9.545 1.00 62.30 ATOM 340 CG GLN 22 3.366 -49.594 -7.755 1.00 53.41 ATOM 341 HG1 GLN 22 3.329 -50.629 -7.443 1.00 38.39 ATOM 342 HG2 GLN 22 2.546 -49.061 -7.297 1.00 22.02 ATOM 343 CD GLN 22 4.671 -48.989 -7.257 1.00 4.21 ATOM 344 OE1 GLN 22 5.689 -49.668 -7.167 1.00 33.44 ATOM 345 NE2 GLN 22 4.645 -47.720 -6.900 1.00 2.51 ATOM 346 HE21 GLN 22 3.801 -47.235 -6.971 1.00 62.43 ATOM 347 HE22 GLN 22 5.479 -47.316 -6.583 1.00 21.03 ATOM 348 C GLN 22 4.085 -47.239 -9.870 1.00 71.30 ATOM 349 O GLN 22 5.147 -47.633 -10.352 1.00 55.44 ATOM 350 N PHE 23 3.931 -46.015 -9.357 1.00 12.44 ATOM 351 HN PHE 23 3.049 -45.748 -9.027 1.00 38.39 ATOM 352 CA PHE 23 5.036 -45.044 -9.306 1.00 31.21 ATOM 353 HA PHE 23 5.317 -44.819 -10.326 1.00 3.31 ATOM 354 CB PHE 23 4.565 -43.751 -8.624 1.00 14.52 ATOM 355 HB1 PHE 23 4.563 -43.899 -7.553 1.00 38.39 ATOM 356 HB2 PHE 23 3.557 -43.531 -8.948 1.00 53.42 ATOM 357 CG PHE 23 5.421 -42.544 -8.929 1.00 52.11 ATOM 358 CD1 PHE 23 5.276 -41.865 -10.133 1.00 54.04 ATOM 359 HD1 PHE 23 4.548 -42.212 -10.854 1.00 21.45 ATOM 360 CD2 PHE 23 6.360 -42.081 -8.016 1.00 4.24 ATOM 361 HD2 PHE 23 6.485 -42.598 -7.075 1.00 14.23 ATOM 362 CE1 PHE 23 6.047 -40.754 -10.418 1.00 51.45 ATOM 363 HE1 PHE 23 5.923 -40.237 -11.359 1.00 72.33 ATOM 364 CE2 PHE 23 7.134 -40.971 -8.298 1.00 64.51 ATOM 365 HE2 PHE 23 7.860 -40.621 -7.579 1.00 70.42 ATOM 366 CZ PHE 23 6.978 -40.307 -9.500 1.00 41.03 ATOM 367 HZ PHE 23 7.582 -39.440 -9.721 1.00 75.24 ATOM 368 C PHE 23 6.259 -45.641 -8.579 1.00 54.34 ATOM 369 O PHE 23 6.386 -45.558 -7.353 1.00 33.31 ATOM 370 N LYS 24 7.145 -46.254 -9.357 1.00 63.52 ATOM 371 HN LYS 24 7.048 -46.165 -10.330 1.00 38.39 ATOM 372 CA LYS 24 8.247 -47.066 -8.831 1.00 11.52 ATOM 373 HA LYS 24 7.834 -47.741 -8.094 1.00 32.42 ATOM 374 CB LYS 24 8.843 -47.899 -9.976 1.00 41.34 ATOM 375 HB1 LYS 24 9.357 -47.235 -10.657 1.00 38.39 ATOM 376 HB2 LYS 24 8.036 -48.384 -10.508 1.00 44.41 ATOM 377 CG LYS 24 9.825 -48.974 -9.524 1.00 10.22 ATOM 378 HG1 LYS 24 10.604 -48.511 -8.936 1.00 38.39 ATOM 379 HG2 LYS 24 10.262 -49.438 -10.397 1.00 23.04 ATOM 380 CD LYS 24 9.143 -50.052 -8.685 1.00 74.13 ATOM 381 HD1 LYS 24 8.353 -50.504 -9.268 1.00 38.39 ATOM 382 HD2 LYS 24 8.724 -49.594 -7.801 1.00 52.21 ATOM 383 CE LYS 24 10.126 -51.134 -8.258 1.00 4.21 ATOM 384 HE1 LYS 24 9.591 -51.887 -7.697 1.00 38.39 ATOM 385 HE2 LYS 24 10.882 -50.689 -7.629 1.00 50.12 ATOM 386 NZ LYS 24 10.790 -51.782 -9.422 1.00 54.23 ATOM 387 HZ1 LYS 24 10.086 -52.276 -10.010 1.00 22.43 ATOM 388 HZ2 LYS 24 11.493 -52.473 -9.094 1.00 70.31 ATOM 389 HZ3 LYS 24 11.271 -51.067 -10.009 1.00 1.44 ATOM 390 C LYS 24 9.352 -46.226 -8.164 1.00 51.43 ATOM 391 O LYS 24 10.151 -46.749 -7.380 1.00 31.21 ATOM 392 N GLN 25 9.390 -44.928 -8.463 1.00 42.43 ATOM 393 HN GLN 25 8.687 -44.552 -9.039 1.00 38.39 ATOM 394 CA GLN 25 10.460 -44.047 -7.973 1.00 52.31 ATOM 395 HA GLN 25 11.371 -44.344 -8.476 1.00 44.31 ATOM 396 CB GLN 25 10.158 -42.587 -8.335 1.00 55.52 ATOM 397 HB1 GLN 25 9.217 -42.308 -7.884 1.00 38.39 ATOM 398 HB2 GLN 25 10.066 -42.508 -9.409 1.00 75.01 ATOM 399 CG GLN 25 11.222 -41.590 -7.875 1.00 1.12 ATOM 400 HG1 GLN 25 11.309 -41.647 -6.799 1.00 38.39 ATOM 401 HG2 GLN 25 10.906 -40.594 -8.152 1.00 34.41 ATOM 402 CD GLN 25 12.590 -41.849 -8.488 1.00 12.01 ATOM 403 OE1 GLN 25 12.920 -41.327 -9.548 1.00 4.51 ATOM 404 NE2 GLN 25 13.398 -42.653 -7.825 1.00 31.02 ATOM 405 HE21 GLN 25 13.080 -43.040 -6.984 1.00 21.23 ATOM 406 HE22 GLN 25 14.285 -42.825 -8.201 1.00 31.22 ATOM 407 C GLN 25 10.682 -44.173 -6.453 1.00 5.42 ATOM 408 O GLN 25 11.822 -44.168 -5.994 1.00 62.32 ATOM 409 N LEU 26 9.600 -44.306 -5.683 1.00 31.00 ATOM 410 HN LEU 26 8.715 -44.316 -6.104 1.00 38.39 ATOM 411 CA LEU 26 9.702 -44.436 -4.219 1.00 71.32 ATOM 412 HA LEU 26 10.091 -43.503 -3.834 1.00 62.01 ATOM 413 CB LEU 26 8.318 -44.688 -3.601 1.00 73.04 ATOM 414 HB1 LEU 26 8.456 -44.951 -2.561 1.00 38.39 ATOM 415 HB2 LEU 26 7.872 -45.532 -4.109 1.00 24.04 ATOM 416 CG LEU 26 7.330 -43.512 -3.667 1.00 42.44 ATOM 417 HG LEU 26 7.136 -43.271 -4.705 1.00 44.54 ATOM 418 CD1 LEU 26 6.000 -43.894 -3.017 1.00 33.32 ATOM 419 HD11 LEU 26 6.168 -44.179 -1.988 1.00 21.14 ATOM 420 HD12 LEU 26 5.561 -44.723 -3.553 1.00 64.31 ATOM 421 HD13 LEU 26 5.326 -43.050 -3.051 1.00 51.12 ATOM 422 CD2 LEU 26 7.923 -42.276 -2.997 1.00 41.52 ATOM 423 HD21 LEU 26 7.204 -41.470 -3.023 1.00 52.00 ATOM 424 HD22 LEU 26 8.816 -41.974 -3.524 1.00 52.40 ATOM 425 HD23 LEU 26 8.170 -42.505 -1.970 1.00 72.13 ATOM 426 C LEU 26 10.654 -45.573 -3.812 1.00 33.24 ATOM 427 O LEU 26 11.496 -45.416 -2.921 1.00 44.23 ATOM 428 N TYR 27 10.520 -46.714 -4.475 1.00 42.41 ATOM 429 HN TYR 27 9.844 -46.775 -5.184 1.00 38.39 ATOM 430 CA TYR 27 11.359 -47.880 -4.192 1.00 20.53 ATOM 431 HA TYR 27 11.425 -47.990 -3.118 1.00 1.43 ATOM 432 CB TYR 27 10.721 -49.146 -4.784 1.00 74.44 ATOM 433 HB1 TYR 27 11.386 -49.983 -4.620 1.00 38.39 ATOM 434 HB2 TYR 27 10.587 -49.008 -5.847 1.00 73.32 ATOM 435 CG TYR 27 9.367 -49.500 -4.184 1.00 14.43 ATOM 436 CD1 TYR 27 9.245 -50.514 -3.239 1.00 51.43 ATOM 437 HD1 TYR 27 10.128 -51.053 -2.931 1.00 21.44 ATOM 438 CD2 TYR 27 8.212 -48.821 -4.563 1.00 52.34 ATOM 439 HD2 TYR 27 8.284 -48.028 -5.295 1.00 20.21 ATOM 440 CE1 TYR 27 8.018 -50.843 -2.694 1.00 53.05 ATOM 441 HE1 TYR 27 7.949 -51.636 -1.962 1.00 24.14 ATOM 442 CE2 TYR 27 6.981 -49.145 -4.019 1.00 40.42 ATOM 443 HE2 TYR 27 6.097 -48.605 -4.326 1.00 35.50 ATOM 444 CZ TYR 27 6.890 -50.155 -3.085 1.00 3.13 ATOM 445 OH TYR 27 5.665 -50.481 -2.543 1.00 54.01 ATOM 446 HH TYR 27 5.767 -50.657 -1.604 1.00 23.44 ATOM 447 C TYR 27 12.776 -47.692 -4.758 1.00 33.00 ATOM 448 O TYR 27 13.772 -48.002 -4.099 1.00 65.10 ATOM 449 N GLU 28 12.857 -47.160 -5.976 1.00 73.22 ATOM 450 HN GLU 28 12.030 -46.881 -6.427 1.00 38.39 ATOM 451 CA GLU 28 14.141 -46.989 -6.671 1.00 65.24 ATOM 452 HA GLU 28 14.825 -47.722 -6.264 1.00 62.05 ATOM 453 CB GLU 28 13.965 -47.280 -8.171 1.00 24.31 ATOM 454 HB1 GLU 28 14.871 -47.002 -8.691 1.00 38.39 ATOM 455 HB2 GLU 28 13.144 -46.687 -8.552 1.00 44.31 ATOM 456 CG GLU 28 13.677 -48.753 -8.464 1.00 61.23 ATOM 457 HG1 GLU 28 12.756 -49.029 -7.966 1.00 38.39 ATOM 458 HG2 GLU 28 14.486 -49.347 -8.065 1.00 33.32 ATOM 459 CD GLU 28 13.543 -49.072 -9.946 1.00 45.44 ATOM 460 OE1 GLU 28 14.224 -48.431 -10.771 1.00 41.54 ATOM 461 OE2 GLU 28 12.770 -49.992 -10.289 1.00 52.03 ATOM 462 C GLU 28 14.765 -45.595 -6.449 1.00 62.44 ATOM 463 O GLU 28 15.585 -45.140 -7.250 1.00 15.21 ATOM 464 N LEU 29 14.382 -44.922 -5.359 1.00 75.03 ATOM 465 HN LEU 29 13.597 -45.229 -4.857 1.00 38.39 ATOM 466 CA LEU 29 15.095 -43.712 -4.916 1.00 72.24 ATOM 467 HA LEU 29 15.041 -42.985 -5.716 1.00 2.22 ATOM 468 CB LEU 29 14.437 -43.127 -3.652 1.00 32.44 ATOM 469 HB1 LEU 29 15.112 -42.399 -3.223 1.00 38.39 ATOM 470 HB2 LEU 29 14.307 -43.930 -2.940 1.00 12.14 ATOM 471 CG LEU 29 13.070 -42.447 -3.868 1.00 44.01 ATOM 472 HG LEU 29 12.426 -43.117 -4.415 1.00 45.53 ATOM 473 CD1 LEU 29 12.392 -42.137 -2.536 1.00 71.52 ATOM 474 HD11 LEU 29 11.436 -41.668 -2.719 1.00 40.21 ATOM 475 HD12 LEU 29 13.015 -41.469 -1.956 1.00 73.40 ATOM 476 HD13 LEU 29 12.241 -43.055 -1.987 1.00 1.43 ATOM 477 CD2 LEU 29 13.226 -41.172 -4.692 1.00 13.14 ATOM 478 HD21 LEU 29 13.674 -41.410 -5.645 1.00 44.24 ATOM 479 HD22 LEU 29 13.856 -40.471 -4.160 1.00 51.35 ATOM 480 HD23 LEU 29 12.253 -40.728 -4.853 1.00 14.12 ATOM 481 C LEU 29 16.574 -44.048 -4.647 1.00 51.10 ATOM 482 O LEU 29 17.479 -43.396 -5.166 1.00 52.33 ATOM 483 N ASP 30 16.801 -45.080 -3.831 1.00 73.03 ATOM 484 HN ASP 30 16.049 -45.462 -3.339 1.00 38.39 ATOM 485 CA ASP 30 18.144 -45.643 -3.635 1.00 62.04 ATOM 486 HA ASP 30 18.864 -44.973 -4.086 1.00 41.33 ATOM 487 CB ASP 30 18.464 -45.794 -2.141 1.00 3.43 ATOM 488 HB1 ASP 30 19.419 -46.292 -2.038 1.00 38.39 ATOM 489 HB2 ASP 30 17.701 -46.403 -1.679 1.00 64.43 ATOM 490 CG ASP 30 18.537 -44.475 -1.398 1.00 52.14 ATOM 491 OD1 ASP 30 17.925 -44.369 -0.313 1.00 73.31 ATOM 492 OD2 ASP 30 19.216 -43.551 -1.887 1.00 61.43 ATOM 493 C ASP 30 18.268 -47.027 -4.293 1.00 33.20 ATOM 494 O ASP 30 19.293 -47.356 -4.893 1.00 54.40 ATOM 495 N GLY 31 17.202 -47.824 -4.195 1.00 62.23 ATOM 496 HN GLY 31 16.349 -47.448 -3.906 1.00 38.39 ATOM 497 CA GLY 31 17.284 -49.240 -4.539 1.00 73.20 ATOM 498 HA1 GLY 31 17.968 -49.369 -5.366 1.00 38.39 ATOM 499 HA2 GLY 31 16.303 -49.580 -4.839 1.00 22.21 ATOM 500 C GLY 31 17.765 -50.082 -3.359 1.00 21.03 ATOM 501 O GLY 31 18.004 -51.282 -3.490 1.00 65.21 ATOM 502 N ASP 32 17.896 -49.436 -2.201 1.00 54.03 ATOM 503 HN ASP 32 17.668 -48.487 -2.167 1.00 38.39 ATOM 504 CA ASP 32 18.370 -50.083 -0.975 1.00 45.23 ATOM 505 HA ASP 32 19.317 -50.555 -1.195 1.00 63.21 ATOM 506 CB ASP 32 18.588 -49.005 0.096 1.00 62.44 ATOM 507 HB1 ASP 32 17.675 -48.438 0.213 1.00 38.39 ATOM 508 HB2 ASP 32 19.375 -48.339 -0.232 1.00 32.33 ATOM 509 CG ASP 32 18.979 -49.578 1.446 1.00 34.05 ATOM 510 OD1 ASP 32 18.100 -49.708 2.318 1.00 24.25 ATOM 511 OD2 ASP 32 20.168 -49.905 1.639 1.00 54.14 ATOM 512 C ASP 32 17.378 -51.151 -0.470 1.00 13.03 ATOM 513 O ASP 32 16.164 -50.924 -0.472 1.00 33.22 ATOM 514 N PRO 33 17.884 -52.328 -0.027 1.00 73.44 ATOM 515 CA PRO 33 17.047 -53.414 0.520 1.00 34.40 ATOM 516 HA PRO 33 16.508 -53.921 -0.270 1.00 14.40 ATOM 517 CB PRO 33 18.070 -54.388 1.147 1.00 22.34 ATOM 518 HB1 PRO 33 18.113 -55.294 0.557 1.00 38.39 ATOM 519 HB2 PRO 33 17.771 -54.633 2.156 1.00 21.23 ATOM 520 CG PRO 33 19.381 -53.666 1.126 1.00 75.23 ATOM 521 HG1 PRO 33 20.189 -54.370 0.979 1.00 38.39 ATOM 522 HG2 PRO 33 19.519 -53.126 2.054 1.00 21.23 ATOM 523 CD PRO 33 19.306 -52.707 -0.027 1.00 45.04 ATOM 524 HD1 PRO 33 19.577 -53.198 -0.952 1.00 38.39 ATOM 525 HD2 PRO 33 19.941 -51.849 0.149 1.00 41.04 ATOM 526 C PRO 33 16.038 -52.924 1.577 1.00 31.03 ATOM 527 O PRO 33 14.838 -53.190 1.475 1.00 4.01 ATOM 528 N LYS 34 16.522 -52.181 2.572 1.00 21.34 ATOM 529 HN LYS 34 17.478 -51.957 2.581 1.00 38.39 ATOM 530 CA LYS 34 15.657 -51.670 3.642 1.00 54.11 ATOM 531 HA LYS 34 15.133 -52.514 4.070 1.00 3.53 ATOM 532 CB LYS 34 16.498 -51.003 4.744 1.00 61.44 ATOM 533 HB1 LYS 34 15.833 -50.529 5.452 1.00 38.39 ATOM 534 HB2 LYS 34 17.123 -50.244 4.292 1.00 64.31 ATOM 535 CG LYS 34 17.402 -51.967 5.508 1.00 31.40 ATOM 536 HG1 LYS 34 17.999 -51.405 6.212 1.00 38.39 ATOM 537 HG2 LYS 34 18.051 -52.472 4.806 1.00 51.11 ATOM 538 CD LYS 34 16.591 -53.011 6.271 1.00 44.32 ATOM 539 HD1 LYS 34 16.033 -53.608 5.561 1.00 38.39 ATOM 540 HD2 LYS 34 15.902 -52.505 6.932 1.00 50.02 ATOM 541 CE LYS 34 17.479 -53.933 7.100 1.00 4.15 ATOM 542 HE1 LYS 34 16.847 -54.585 7.688 1.00 38.39 ATOM 543 HE2 LYS 34 18.083 -53.330 7.762 1.00 3.42 ATOM 544 NZ LYS 34 18.378 -54.765 6.258 1.00 3.50 ATOM 545 HZ1 LYS 34 18.937 -55.402 6.858 1.00 73.10 ATOM 546 HZ2 LYS 34 19.028 -54.163 5.715 1.00 33.55 ATOM 547 HZ3 LYS 34 17.820 -55.339 5.594 1.00 4.45 ATOM 548 C LYS 34 14.615 -50.678 3.100 1.00 23.14 ATOM 549 O LYS 34 13.533 -50.530 3.673 1.00 41.23 ATOM 550 N ARG 35 14.934 -50.012 1.986 1.00 44.30 ATOM 551 HN ARG 35 15.806 -50.177 1.561 1.00 38.39 ATOM 552 CA ARG 35 14.011 -49.042 1.386 1.00 43.14 ATOM 553 HA ARG 35 13.702 -48.369 2.174 1.00 0.15 ATOM 554 CB ARG 35 14.701 -48.212 0.290 1.00 11.12 ATOM 555 HB1 ARG 35 15.135 -48.883 -0.439 1.00 38.39 ATOM 556 HB2 ARG 35 15.489 -47.624 0.741 1.00 31.45 ATOM 557 CG ARG 35 13.746 -47.264 -0.437 1.00 32.24 ATOM 558 HG1 ARG 35 13.205 -46.684 0.299 1.00 38.39 ATOM 559 HG2 ARG 35 13.044 -47.851 -1.012 1.00 60.11 ATOM 560 CD ARG 35 14.472 -46.310 -1.380 1.00 42.12 ATOM 561 HD1 ARG 35 13.740 -45.799 -1.988 1.00 38.39 ATOM 562 HD2 ARG 35 15.128 -46.884 -2.020 1.00 73.12 ATOM 563 NE ARG 35 15.271 -45.315 -0.661 1.00 45.04 ATOM 564 HE ARG 35 16.221 -45.509 -0.513 1.00 11.00 ATOM 565 CZ ARG 35 14.805 -44.174 -0.223 1.00 63.22 ATOM 566 NH1 ARG 35 13.557 -43.864 -0.378 1.00 44.30 ATOM 567 HH11 ARG 35 12.940 -44.500 -0.833 1.00 43.34 ATOM 568 HH12 ARG 35 13.221 -42.985 -0.057 1.00 11.04 ATOM 569 NH2 ARG 35 15.599 -43.345 0.369 1.00 63.42 ATOM 570 HH21 ARG 35 16.568 -43.580 0.480 1.00 65.30 ATOM 571 HH22 ARG 35 15.255 -42.482 0.721 1.00 44.01 ATOM 572 C ARG 35 12.755 -49.725 0.822 1.00 31.22 ATOM 573 O ARG 35 11.633 -49.348 1.167 1.00 23.03 ATOM 574 N LYS 36 12.932 -50.731 -0.043 1.00 31.44 ATOM 575 HN LYS 36 13.842 -51.016 -0.276 1.00 38.39 ATOM 576 CA LYS 36 11.772 -51.412 -0.632 1.00 33.42 ATOM 577 HA LYS 36 11.077 -50.638 -0.934 1.00 55.23 ATOM 578 CB LYS 36 12.137 -52.238 -1.880 1.00 24.22 ATOM 579 HB1 LYS 36 12.685 -51.602 -2.561 1.00 38.39 ATOM 580 HB2 LYS 36 11.220 -52.545 -2.365 1.00 32.41 ATOM 581 CG LYS 36 12.971 -53.491 -1.616 1.00 61.12 ATOM 582 HG1 LYS 36 12.694 -54.250 -2.336 1.00 38.39 ATOM 583 HG2 LYS 36 12.758 -53.852 -0.620 1.00 25.51 ATOM 584 CD LYS 36 14.467 -53.228 -1.730 1.00 74.30 ATOM 585 HD1 LYS 36 15.002 -54.144 -1.515 1.00 38.39 ATOM 586 HD2 LYS 36 14.745 -52.473 -1.008 1.00 73.34 ATOM 587 CE LYS 36 14.857 -52.746 -3.124 1.00 3.54 ATOM 588 HE1 LYS 36 15.924 -52.576 -3.146 1.00 38.39 ATOM 589 HE2 LYS 36 14.344 -51.816 -3.325 1.00 71.21 ATOM 590 NZ LYS 36 14.501 -53.732 -4.183 1.00 12.10 ATOM 591 HZ1 LYS 36 14.839 -53.402 -5.110 1.00 3.13 ATOM 592 HZ2 LYS 36 13.470 -53.858 -4.232 1.00 72.11 ATOM 593 HZ3 LYS 36 14.940 -54.652 -3.979 1.00 41.24 ATOM 594 C LYS 36 11.060 -52.297 0.401 1.00 23.44 ATOM 595 O LYS 36 9.842 -52.436 0.357 1.00 63.40 ATOM 596 N GLU 37 11.817 -52.888 1.332 1.00 71.15 ATOM 597 HN GLU 37 12.794 -52.808 1.281 1.00 38.39 ATOM 598 CA GLU 37 11.215 -53.665 2.427 1.00 31.03 ATOM 599 HA GLU 37 10.665 -54.483 1.982 1.00 70.32 ATOM 600 CB GLU 37 12.293 -54.243 3.354 1.00 33.04 ATOM 601 HB1 GLU 37 11.824 -54.578 4.269 1.00 38.39 ATOM 602 HB2 GLU 37 13.003 -53.464 3.592 1.00 73.12 ATOM 603 CG GLU 37 13.054 -55.419 2.756 1.00 13.20 ATOM 604 HG1 GLU 37 13.580 -55.080 1.873 1.00 38.39 ATOM 605 HG2 GLU 37 12.343 -56.185 2.474 1.00 75.33 ATOM 606 CD GLU 37 14.055 -56.024 3.725 1.00 43.03 ATOM 607 OE1 GLU 37 13.631 -56.486 4.810 1.00 11.52 ATOM 608 OE2 GLU 37 15.262 -56.065 3.404 1.00 43.25 ATOM 609 C GLU 37 10.241 -52.811 3.243 1.00 23.11 ATOM 610 O GLU 37 9.104 -53.217 3.495 1.00 24.42 ATOM 611 N PHE 38 10.693 -51.625 3.651 1.00 63.05 ATOM 612 HN PHE 38 11.622 -51.373 3.452 1.00 38.39 ATOM 613 CA PHE 38 9.844 -50.694 4.395 1.00 11.03 ATOM 614 HA PHE 38 9.557 -51.182 5.317 1.00 21.33 ATOM 615 CB PHE 38 10.617 -49.411 4.735 1.00 74.32 ATOM 616 HB1 PHE 38 11.078 -49.025 3.835 1.00 38.39 ATOM 617 HB2 PHE 38 11.388 -49.641 5.457 1.00 1.04 ATOM 618 CG PHE 38 9.742 -48.326 5.316 1.00 54.52 ATOM 619 CD1 PHE 38 9.371 -47.228 4.551 1.00 34.42 ATOM 620 HD1 PHE 38 9.729 -47.145 3.535 1.00 71.45 ATOM 621 CD2 PHE 38 9.272 -48.417 6.619 1.00 1.55 ATOM 622 HD2 PHE 38 9.553 -49.266 7.227 1.00 45.11 ATOM 623 CE1 PHE 38 8.554 -46.245 5.073 1.00 53.14 ATOM 624 HE1 PHE 38 8.274 -45.394 4.467 1.00 10.53 ATOM 625 CE2 PHE 38 8.458 -47.435 7.145 1.00 23.13 ATOM 626 HE2 PHE 38 8.101 -47.517 8.162 1.00 62.54 ATOM 627 CZ PHE 38 8.097 -46.350 6.372 1.00 44.53 ATOM 628 HZ PHE 38 7.457 -45.582 6.783 1.00 50.54 ATOM 629 C PHE 38 8.570 -50.343 3.612 1.00 73.23 ATOM 630 O PHE 38 7.466 -50.496 4.120 1.00 2.55 ATOM 631 N LEU 39 8.733 -49.873 2.377 1.00 11.35 ATOM 632 HN LEU 39 9.642 -49.812 2.009 1.00 38.39 ATOM 633 CA LEU 39 7.596 -49.437 1.555 1.00 41.41 ATOM 634 HA LEU 39 7.054 -48.694 2.122 1.00 13.04 ATOM 635 CB LEU 39 8.106 -48.788 0.262 1.00 13.20 ATOM 636 HB1 LEU 39 7.252 -48.540 -0.352 1.00 38.39 ATOM 637 HB2 LEU 39 8.708 -49.515 -0.265 1.00 2.35 ATOM 638 CG LEU 39 8.945 -47.512 0.457 1.00 72.21 ATOM 639 HG LEU 39 9.786 -47.740 1.096 1.00 44.21 ATOM 640 CD1 LEU 39 9.496 -47.021 -0.876 1.00 60.02 ATOM 641 HD11 LEU 39 10.082 -46.126 -0.717 1.00 0.21 ATOM 642 HD12 LEU 39 8.678 -46.801 -1.547 1.00 41.01 ATOM 643 HD13 LEU 39 10.122 -47.787 -1.311 1.00 45.02 ATOM 644 CD2 LEU 39 8.121 -46.418 1.136 1.00 21.35 ATOM 645 HD21 LEU 39 7.793 -46.763 2.106 1.00 10.51 ATOM 646 HD22 LEU 39 7.259 -46.182 0.529 1.00 60.21 ATOM 647 HD23 LEU 39 8.728 -45.531 1.258 1.00 42.03 ATOM 648 C LEU 39 6.632 -50.593 1.226 1.00 62.54 ATOM 649 O LEU 39 5.421 -50.460 1.379 1.00 53.23 ATOM 650 N ASP 40 7.175 -51.720 0.777 1.00 73.21 ATOM 651 HN ASP 40 8.147 -51.771 0.675 1.00 38.39 ATOM 652 CA ASP 40 6.360 -52.894 0.434 1.00 31.14 ATOM 653 HA ASP 40 5.679 -52.603 -0.354 1.00 35.45 ATOM 654 CB ASP 40 7.269 -54.016 -0.085 1.00 60.24 ATOM 655 HB1 ASP 40 8.001 -54.255 0.675 1.00 38.39 ATOM 656 HB2 ASP 40 7.782 -53.672 -0.972 1.00 12.14 ATOM 657 CG ASP 40 6.504 -55.280 -0.435 1.00 15.33 ATOM 658 OD1 ASP 40 6.616 -56.279 0.312 1.00 2.14 ATOM 659 OD2 ASP 40 5.789 -55.282 -1.458 1.00 10.25 ATOM 660 C ASP 40 5.537 -53.380 1.642 1.00 70.23 ATOM 661 O ASP 40 4.338 -53.651 1.528 1.00 60.51 ATOM 662 N ASP 41 6.184 -53.475 2.798 1.00 5.32 ATOM 663 HN ASP 41 7.143 -53.263 2.826 1.00 38.39 ATOM 664 CA ASP 41 5.513 -53.889 4.034 1.00 64.22 ATOM 665 HA ASP 41 4.938 -54.779 3.814 1.00 44.33 ATOM 666 CB ASP 41 6.563 -54.227 5.098 1.00 14.54 ATOM 667 HB1 ASP 41 7.114 -53.329 5.342 1.00 38.39 ATOM 668 HB2 ASP 41 7.247 -54.962 4.696 1.00 14.31 ATOM 669 CG ASP 41 5.959 -54.788 6.373 1.00 61.10 ATOM 670 OD1 ASP 41 6.199 -54.215 7.455 1.00 31.02 ATOM 671 OD2 ASP 41 5.252 -55.816 6.300 1.00 23.34 ATOM 672 C ASP 41 4.556 -52.793 4.541 1.00 35.43 ATOM 673 O ASP 41 3.465 -53.087 5.028 1.00 13.30 ATOM 674 N LEU 42 4.974 -51.532 4.409 1.00 44.52 ATOM 675 HN LEU 42 5.865 -51.369 4.038 1.00 38.39 ATOM 676 CA LEU 42 4.149 -50.379 4.806 1.00 32.01 ATOM 677 HA LEU 42 3.941 -50.466 5.862 1.00 33.31 ATOM 678 CB LEU 42 4.919 -49.074 4.553 1.00 33.41 ATOM 679 HB1 LEU 42 5.280 -49.090 3.534 1.00 38.39 ATOM 680 HB2 LEU 42 5.774 -49.054 5.216 1.00 42.52 ATOM 681 CG LEU 42 4.117 -47.774 4.757 1.00 33.00 ATOM 682 HG LEU 42 3.181 -47.854 4.221 1.00 72.42 ATOM 683 CD1 LEU 42 3.785 -47.554 6.231 1.00 42.03 ATOM 684 HD11 LEU 42 4.699 -47.470 6.800 1.00 10.13 ATOM 685 HD12 LEU 42 3.207 -48.390 6.601 1.00 11.14 ATOM 686 HD13 LEU 42 3.209 -46.646 6.339 1.00 64.52 ATOM 687 CD2 LEU 42 4.881 -46.584 4.184 1.00 23.24 ATOM 688 HD21 LEU 42 5.059 -46.744 3.130 1.00 42.14 ATOM 689 HD22 LEU 42 5.826 -46.480 4.696 1.00 11.41 ATOM 690 HD23 LEU 42 4.299 -45.683 4.316 1.00 33.40 ATOM 691 C LEU 42 2.823 -50.341 4.034 1.00 32.03 ATOM 692 O LEU 42 1.745 -50.372 4.630 1.00 24.22 ATOM 693 N PHE 43 2.915 -50.278 2.704 1.00 44.22 ATOM 694 HN PHE 43 3.803 -50.250 2.291 1.00 38.39 ATOM 695 CA PHE 43 1.730 -50.241 1.842 1.00 44.53 ATOM 696 HA PHE 43 1.202 -49.323 2.059 1.00 13.34 ATOM 697 CB PHE 43 2.141 -50.236 0.361 1.00 61.53 ATOM 698 HB1 PHE 43 1.285 -50.505 -0.242 1.00 38.39 ATOM 699 HB2 PHE 43 2.921 -50.969 0.210 1.00 55.41 ATOM 700 CG PHE 43 2.660 -48.900 -0.131 1.00 74.42 ATOM 701 CD1 PHE 43 3.703 -48.250 0.519 1.00 0.12 ATOM 702 HD1 PHE 43 4.143 -48.702 1.397 1.00 13.11 ATOM 703 CD2 PHE 43 2.108 -48.299 -1.256 1.00 61.51 ATOM 704 HD2 PHE 43 1.296 -48.789 -1.773 1.00 63.34 ATOM 705 CE1 PHE 43 4.179 -47.034 0.060 1.00 62.12 ATOM 706 HE1 PHE 43 4.991 -46.541 0.575 1.00 14.54 ATOM 707 CE2 PHE 43 2.580 -47.084 -1.715 1.00 33.31 ATOM 708 HE2 PHE 43 2.139 -46.629 -2.591 1.00 61.34 ATOM 709 CZ PHE 43 3.618 -46.452 -1.059 1.00 34.22 ATOM 710 HZ PHE 43 3.990 -45.503 -1.419 1.00 35.30 ATOM 711 C PHE 43 0.792 -51.417 2.137 1.00 45.01 ATOM 712 O PHE 43 -0.413 -51.232 2.280 1.00 54.13 ATOM 713 N SER 44 1.355 -52.618 2.251 1.00 61.54 ATOM 714 HN SER 44 2.321 -52.709 2.097 1.00 38.39 ATOM 715 CA SER 44 0.568 -53.812 2.596 1.00 31.30 ATOM 716 HA SER 44 -0.204 -53.926 1.847 1.00 41.44 ATOM 717 CB SER 44 1.459 -55.062 2.585 1.00 14.32 ATOM 718 HB1 SER 44 0.861 -55.934 2.812 1.00 38.39 ATOM 719 HB2 SER 44 2.235 -54.956 3.330 1.00 30.01 ATOM 720 OG SER 44 2.072 -55.249 1.318 1.00 11.12 ATOM 721 HG SER 44 3.025 -55.098 1.398 1.00 42.22 ATOM 722 C SER 44 -0.098 -53.664 3.975 1.00 44.25 ATOM 723 O SER 44 -1.288 -53.936 4.132 1.00 13.30 ATOM 724 N PHE 45 0.674 -53.210 4.964 1.00 32.44 ATOM 725 HN PHE 45 1.607 -52.977 4.769 1.00 38.39 ATOM 726 CA PHE 45 0.174 -53.043 6.336 1.00 63.22 ATOM 727 HA PHE 45 -0.161 -54.011 6.681 1.00 33.15 ATOM 728 CB PHE 45 1.310 -52.557 7.254 1.00 21.24 ATOM 729 HB1 PHE 45 1.733 -51.651 6.841 1.00 38.39 ATOM 730 HB2 PHE 45 2.079 -53.317 7.294 1.00 31.41 ATOM 731 CG PHE 45 0.875 -52.268 8.671 1.00 44.33 ATOM 732 CD1 PHE 45 0.622 -53.305 9.559 1.00 71.41 ATOM 733 HD1 PHE 45 0.741 -54.328 9.230 1.00 44.34 ATOM 734 CD2 PHE 45 0.720 -50.961 9.114 1.00 24.21 ATOM 735 HD2 PHE 45 0.913 -50.143 8.433 1.00 2.00 ATOM 736 CE1 PHE 45 0.220 -53.044 10.855 1.00 40.44 ATOM 737 HE1 PHE 45 0.025 -53.860 11.536 1.00 63.12 ATOM 738 CE2 PHE 45 0.319 -50.696 10.409 1.00 74.41 ATOM 739 HE2 PHE 45 0.201 -49.674 10.740 1.00 13.43 ATOM 740 CZ PHE 45 0.070 -51.738 11.281 1.00 31.32 ATOM 741 HZ PHE 45 -0.245 -51.532 12.293 1.00 72.54 ATOM 742 C PHE 45 -1.012 -52.065 6.395 1.00 52.43 ATOM 743 O PHE 45 -2.094 -52.404 6.890 1.00 45.30 ATOM 744 N MET 46 -0.807 -50.851 5.886 1.00 61.02 ATOM 745 HN MET 46 0.071 -50.637 5.500 1.00 38.39 ATOM 746 CA MET 46 -1.857 -49.830 5.893 1.00 72.12 ATOM 747 HA MET 46 -2.219 -49.751 6.909 1.00 53.01 ATOM 748 CB MET 46 -1.287 -48.464 5.471 1.00 71.25 ATOM 749 HB1 MET 46 -0.500 -48.182 6.161 1.00 38.39 ATOM 750 HB2 MET 46 -2.077 -47.729 5.532 1.00 62.44 ATOM 751 CG MET 46 -0.718 -48.431 4.059 1.00 2.10 ATOM 752 HG1 MET 46 -1.522 -48.599 3.356 1.00 38.39 ATOM 753 HG2 MET 46 0.014 -49.220 3.960 1.00 15.53 ATOM 754 SD MET 46 0.074 -46.862 3.665 1.00 32.32 ATOM 755 CE MET 46 -1.257 -45.714 4.004 1.00 51.00 ATOM 756 HE1 MET 46 -1.624 -45.872 5.008 1.00 41.13 ATOM 757 HE2 MET 46 -2.059 -45.870 3.297 1.00 54.23 ATOM 758 HE3 MET 46 -0.888 -44.705 3.914 1.00 45.45 ATOM 759 C MET 46 -3.041 -50.235 4.992 1.00 44.43 ATOM 760 O MET 46 -4.201 -49.993 5.333 1.00 52.14 ATOM 761 N GLN 47 -2.746 -50.878 3.862 1.00 4.34 ATOM 762 HN GLN 47 -1.802 -51.036 3.637 1.00 38.39 ATOM 763 CA GLN 47 -3.786 -51.352 2.936 1.00 12.45 ATOM 764 HA GLN 47 -4.339 -50.490 2.591 1.00 25.12 ATOM 765 CB GLN 47 -3.131 -52.040 1.729 1.00 3.32 ATOM 766 HB1 GLN 47 -2.555 -52.884 2.083 1.00 38.39 ATOM 767 HB2 GLN 47 -2.459 -51.336 1.257 1.00 63.03 ATOM 768 CG GLN 47 -4.112 -52.541 0.672 1.00 35.30 ATOM 769 HG1 GLN 47 -4.685 -51.702 0.303 1.00 38.39 ATOM 770 HG2 GLN 47 -4.779 -53.258 1.129 1.00 42.43 ATOM 771 CD GLN 47 -3.412 -53.212 -0.500 1.00 31.32 ATOM 772 OE1 GLN 47 -2.348 -53.807 -0.347 1.00 22.44 ATOM 773 NE2 GLN 47 -3.998 -53.129 -1.677 1.00 5.54 ATOM 774 HE21 GLN 47 -4.850 -52.648 -1.739 1.00 3.03 ATOM 775 HE22 GLN 47 -3.550 -53.544 -2.444 1.00 74.12 ATOM 776 C GLN 47 -4.758 -52.323 3.627 1.00 53.13 ATOM 777 O GLN 47 -5.974 -52.108 3.635 1.00 71.12 ATOM 778 N LYS 48 -4.209 -53.376 4.227 1.00 65.42 ATOM 779 HN LYS 48 -3.230 -53.466 4.227 1.00 38.39 ATOM 780 CA LYS 48 -5.018 -54.414 4.877 1.00 73.34 ATOM 781 HA LYS 48 -5.731 -54.775 4.148 1.00 4.55 ATOM 782 CB LYS 48 -4.129 -55.587 5.312 1.00 22.13 ATOM 783 HB1 LYS 48 -4.752 -56.348 5.763 1.00 38.39 ATOM 784 HB2 LYS 48 -3.422 -55.232 6.048 1.00 73.52 ATOM 785 CG LYS 48 -3.344 -56.228 4.168 1.00 15.04 ATOM 786 HG1 LYS 48 -2.717 -55.478 3.709 1.00 38.39 ATOM 787 HG2 LYS 48 -4.040 -56.613 3.436 1.00 24.33 ATOM 788 CD LYS 48 -2.466 -57.372 4.666 1.00 4.33 ATOM 789 HD1 LYS 48 -3.104 -58.173 5.016 1.00 38.39 ATOM 790 HD2 LYS 48 -1.857 -57.015 5.483 1.00 10.23 ATOM 791 CE LYS 48 -1.549 -57.910 3.573 1.00 61.31 ATOM 792 HE1 LYS 48 -0.971 -58.728 3.980 1.00 38.39 ATOM 793 HE2 LYS 48 -0.878 -57.122 3.261 1.00 21.32 ATOM 794 NZ LYS 48 -2.299 -58.397 2.385 1.00 70.34 ATOM 795 HZ1 LYS 48 -1.641 -58.834 1.705 1.00 25.44 ATOM 796 HZ2 LYS 48 -2.785 -57.608 1.916 1.00 64.13 ATOM 797 HZ3 LYS 48 -3.003 -59.107 2.670 1.00 23.01 ATOM 798 C LYS 48 -5.797 -53.868 6.090 1.00 5.04 ATOM 799 O LYS 48 -6.891 -54.345 6.393 1.00 14.34 ATOM 800 N ARG 49 -5.242 -52.866 6.782 1.00 71.51 ATOM 801 HN ARG 49 -4.363 -52.523 6.511 1.00 38.39 ATOM 802 CA ARG 49 -5.921 -52.285 7.954 1.00 3.13 ATOM 803 HA ARG 49 -6.379 -53.103 8.496 1.00 4.54 ATOM 804 CB ARG 49 -4.918 -51.585 8.889 1.00 71.23 ATOM 805 HB1 ARG 49 -4.037 -52.207 8.977 1.00 38.39 ATOM 806 HB2 ARG 49 -5.368 -51.483 9.866 1.00 22.44 ATOM 807 CG ARG 49 -4.477 -50.200 8.424 1.00 41.32 ATOM 808 HG1 ARG 49 -5.347 -49.562 8.347 1.00 38.39 ATOM 809 HG2 ARG 49 -4.011 -50.290 7.454 1.00 1.52 ATOM 810 CD ARG 49 -3.480 -49.561 9.392 1.00 2.02 ATOM 811 HD1 ARG 49 -3.294 -48.544 9.076 1.00 38.39 ATOM 812 HD2 ARG 49 -2.555 -50.120 9.354 1.00 72.14 ATOM 813 NE ARG 49 -3.969 -49.553 10.774 1.00 43.14 ATOM 814 HE ARG 49 -3.972 -50.407 11.255 1.00 70.52 ATOM 815 CZ ARG 49 -4.378 -48.488 11.418 1.00 21.14 ATOM 816 NH1 ARG 49 -4.420 -47.329 10.840 1.00 44.13 ATOM 817 HH11 ARG 49 -4.140 -47.235 9.894 1.00 11.12 ATOM 818 HH12 ARG 49 -4.747 -46.532 11.349 1.00 23.52 ATOM 819 NH2 ARG 49 -4.750 -48.592 12.650 1.00 32.31 ATOM 820 HH21 ARG 49 -4.725 -49.482 13.101 1.00 44.54 ATOM 821 HH22 ARG 49 -5.061 -47.785 13.152 1.00 72.24 ATOM 822 C ARG 49 -7.040 -51.307 7.537 1.00 42.25 ATOM 823 O ARG 49 -7.750 -50.759 8.385 1.00 41.12 ATOM 824 N GLY 50 -7.186 -51.085 6.228 1.00 30.54 ATOM 825 HN GLY 50 -6.535 -51.469 5.605 1.00 38.39 ATOM 826 CA GLY 50 -8.305 -50.294 5.713 1.00 32.43 ATOM 827 HA1 GLY 50 -9.043 -50.185 6.498 1.00 38.39 ATOM 828 HA2 GLY 50 -8.756 -50.840 4.900 1.00 15.45 ATOM 829 C GLY 50 -7.931 -48.902 5.201 1.00 63.55 ATOM 830 O GLY 50 -8.804 -48.048 5.038 1.00 14.11 ATOM 831 N THR 51 -6.647 -48.661 4.934 1.00 1.44 ATOM 832 HN THR 51 -5.981 -49.358 5.110 1.00 38.39 ATOM 833 CA THR 51 -6.205 -47.364 4.386 1.00 11.33 ATOM 834 HA THR 51 -7.011 -46.986 3.769 1.00 72.55 ATOM 835 CB THR 51 -5.943 -46.315 5.504 1.00 64.41 ATOM 836 HB THR 51 -6.896 -46.047 5.943 1.00 64.42 ATOM 837 OG1 THR 51 -5.348 -45.128 4.949 1.00 23.25 ATOM 838 HG1 THR 51 -4.640 -44.823 5.528 1.00 22.14 ATOM 839 CG2 THR 51 -5.047 -46.876 6.610 1.00 13.21 ATOM 840 HG21 THR 51 -4.091 -47.158 6.192 1.00 30.43 ATOM 841 HG22 THR 51 -5.517 -47.743 7.051 1.00 62.35 ATOM 842 HG23 THR 51 -4.899 -46.124 7.371 1.00 61.51 ATOM 843 C THR 51 -4.954 -47.502 3.498 1.00 73.25 ATOM 844 O THR 51 -3.826 -47.421 3.974 1.00 74.43 ATOM 845 N PRO 52 -5.143 -47.751 2.188 1.00 43.43 ATOM 846 CA PRO 52 -4.035 -47.828 1.225 1.00 31.44 ATOM 847 HA PRO 52 -3.161 -48.294 1.657 1.00 4.44 ATOM 848 CB PRO 52 -4.620 -48.734 0.142 1.00 70.34 ATOM 849 HB1 PRO 52 -4.461 -49.768 0.410 1.00 38.39 ATOM 850 HB2 PRO 52 -4.146 -48.526 -0.809 1.00 73.34 ATOM 851 CG PRO 52 -6.076 -48.394 0.120 1.00 12.23 ATOM 852 HG1 PRO 52 -6.649 -49.257 -0.190 1.00 38.39 ATOM 853 HG2 PRO 52 -6.250 -47.569 -0.557 1.00 45.43 ATOM 854 CD PRO 52 -6.447 -48.000 1.536 1.00 52.24 ATOM 855 HD1 PRO 52 -6.973 -48.809 2.028 1.00 38.39 ATOM 856 HD2 PRO 52 -7.054 -47.105 1.534 1.00 43.42 ATOM 857 C PRO 52 -3.652 -46.458 0.635 1.00 52.34 ATOM 858 O PRO 52 -4.378 -45.475 0.789 1.00 41.43 ATOM 859 N VAL 53 -2.507 -46.398 -0.044 1.00 14.32 ATOM 860 HN VAL 53 -1.936 -47.192 -0.087 1.00 38.39 ATOM 861 CA VAL 53 -2.078 -45.174 -0.728 1.00 32.50 ATOM 862 HA VAL 53 -2.476 -44.325 -0.184 1.00 72.14 ATOM 863 CB VAL 53 -0.532 -45.054 -0.758 1.00 11.55 ATOM 864 HB VAL 53 -0.146 -45.871 -1.351 1.00 42.25 ATOM 865 CG1 VAL 53 -0.092 -43.745 -1.417 1.00 64.23 ATOM 866 HG11 VAL 53 0.988 -43.699 -1.445 1.00 64.24 ATOM 867 HG12 VAL 53 -0.472 -42.907 -0.849 1.00 53.14 ATOM 868 HG13 VAL 53 -0.478 -43.700 -2.425 1.00 61.12 ATOM 869 CG2 VAL 53 0.049 -45.179 0.651 1.00 60.43 ATOM 870 HG21 VAL 53 -0.322 -44.374 1.269 1.00 20.35 ATOM 871 HG22 VAL 53 1.127 -45.130 0.604 1.00 61.21 ATOM 872 HG23 VAL 53 -0.246 -46.127 1.079 1.00 31.11 ATOM 873 C VAL 53 -2.615 -45.145 -2.167 1.00 32.13 ATOM 874 O VAL 53 -2.179 -45.925 -3.017 1.00 52.21 ATOM 875 N ASN 54 -3.582 -44.266 -2.432 1.00 43.12 ATOM 876 HN ASN 54 -3.926 -43.703 -1.707 1.00 38.39 ATOM 877 CA ASN 54 -4.159 -44.140 -3.777 1.00 73.54 ATOM 878 HA ASN 54 -4.280 -45.140 -4.173 1.00 73.14 ATOM 879 CB ASN 54 -5.537 -43.469 -3.711 1.00 33.31 ATOM 880 HB1 ASN 54 -5.418 -42.437 -3.409 1.00 38.39 ATOM 881 HB2 ASN 54 -6.147 -43.983 -2.981 1.00 14.11 ATOM 882 CG ASN 54 -6.258 -43.504 -5.049 1.00 60.01 ATOM 883 OD1 ASN 54 -6.961 -44.457 -5.362 1.00 32.22 ATOM 884 ND2 ASN 54 -6.094 -42.466 -5.845 1.00 60.12 ATOM 885 HD21 ASN 54 -5.529 -41.733 -5.539 1.00 25.14 ATOM 886 HD22 ASN 54 -6.549 -42.476 -6.714 1.00 14.04 ATOM 887 C ASN 54 -3.224 -43.354 -4.715 1.00 32.21 ATOM 888 O ASN 54 -2.895 -43.814 -5.807 1.00 44.10 ATOM 889 N ARG 55 -2.803 -42.162 -4.290 1.00 35.54 ATOM 890 HN ARG 55 -3.141 -41.811 -3.440 1.00 38.39 ATOM 891 CA ARG 55 -1.838 -41.368 -5.063 1.00 62.51 ATOM 892 HA ARG 55 -1.264 -42.065 -5.661 1.00 0.13 ATOM 893 CB ARG 55 -2.554 -40.395 -6.017 1.00 65.44 ATOM 894 HB1 ARG 55 -3.123 -40.977 -6.732 1.00 38.39 ATOM 895 HB2 ARG 55 -1.806 -39.830 -6.554 1.00 62.45 ATOM 896 CG ARG 55 -3.506 -39.402 -5.349 1.00 73.01 ATOM 897 HG1 ARG 55 -2.945 -38.766 -4.679 1.00 38.39 ATOM 898 HG2 ARG 55 -4.251 -39.951 -4.789 1.00 12.51 ATOM 899 CD ARG 55 -4.207 -38.533 -6.392 1.00 40.14 ATOM 900 HD1 ARG 55 -4.763 -39.177 -7.060 1.00 38.39 ATOM 901 HD2 ARG 55 -3.454 -38.002 -6.958 1.00 54.13 ATOM 902 NE ARG 55 -5.120 -37.556 -5.800 1.00 43.14 ATOM 903 HE ARG 55 -4.824 -37.089 -4.994 1.00 63.04 ATOM 904 CZ ARG 55 -6.289 -37.248 -6.301 1.00 22.33 ATOM 905 NH1 ARG 55 -6.730 -37.848 -7.363 1.00 31.04 ATOM 906 HH11 ARG 55 -6.176 -38.550 -7.805 1.00 15.31 ATOM 907 HH12 ARG 55 -7.625 -37.608 -7.739 1.00 3.10 ATOM 908 NH2 ARG 55 -7.017 -36.339 -5.736 1.00 45.12 ATOM 909 HH21 ARG 55 -6.686 -35.872 -4.916 1.00 71.31 ATOM 910 HH22 ARG 55 -7.906 -36.100 -6.121 1.00 73.42 ATOM 911 C ARG 55 -0.854 -40.623 -4.144 1.00 32.12 ATOM 912 O ARG 55 -1.156 -40.339 -2.984 1.00 31.41 ATOM 913 N ILE 56 0.322 -40.309 -4.683 1.00 41.21 ATOM 914 HN ILE 56 0.449 -40.438 -5.645 1.00 38.39 ATOM 915 CA ILE 56 1.436 -39.768 -3.891 1.00 21.14 ATOM 916 HA ILE 56 1.387 -40.203 -2.902 1.00 30.23 ATOM 917 CB ILE 56 2.787 -40.178 -4.531 1.00 54.55 ATOM 918 HB ILE 56 2.848 -39.721 -5.511 1.00 42.22 ATOM 919 CG1 ILE 56 2.852 -41.705 -4.691 1.00 24.54 ATOM 920 HG11 ILE 56 1.991 -42.038 -5.256 1.00 38.39 ATOM 921 HG12 ILE 56 2.834 -42.166 -3.714 1.00 11.43 ATOM 922 CG2 ILE 56 3.968 -39.670 -3.701 1.00 5.10 ATOM 923 HG21 ILE 56 4.893 -39.966 -4.172 1.00 24.43 ATOM 924 HG22 ILE 56 3.921 -40.090 -2.706 1.00 72.14 ATOM 925 HG23 ILE 56 3.928 -38.591 -3.636 1.00 42.42 ATOM 926 CD1 ILE 56 4.093 -42.193 -5.406 1.00 43.34 ATOM 927 HD11 ILE 56 4.971 -41.926 -4.837 1.00 55.35 ATOM 928 HD12 ILE 56 4.147 -41.739 -6.385 1.00 51.41 ATOM 929 HD13 ILE 56 4.046 -43.267 -5.511 1.00 74.44 ATOM 930 C ILE 56 1.385 -38.232 -3.771 1.00 33.32 ATOM 931 O ILE 56 1.096 -37.537 -4.747 1.00 42.42 ATOM 932 N PRO 57 1.650 -37.685 -2.563 1.00 33.04 ATOM 933 CA PRO 57 1.791 -36.231 -2.362 1.00 54.24 ATOM 934 HA PRO 57 0.958 -35.690 -2.791 1.00 11.30 ATOM 935 CB PRO 57 1.769 -36.086 -0.835 1.00 10.04 ATOM 936 HB1 PRO 57 0.755 -35.921 -0.500 1.00 38.39 ATOM 937 HB2 PRO 57 2.391 -35.255 -0.532 1.00 12.44 ATOM 938 CG PRO 57 2.300 -37.384 -0.329 1.00 11.30 ATOM 939 HG1 PRO 57 1.915 -37.580 0.663 1.00 38.39 ATOM 940 HG2 PRO 57 3.382 -37.360 -0.313 1.00 61.43 ATOM 941 CD PRO 57 1.811 -38.431 -1.297 1.00 64.11 ATOM 942 HD1 PRO 57 0.864 -38.837 -0.968 1.00 38.39 ATOM 943 HD2 PRO 57 2.542 -39.220 -1.403 1.00 74.43 ATOM 944 C PRO 57 3.110 -35.686 -2.944 1.00 50.33 ATOM 945 O PRO 57 4.186 -36.251 -2.720 1.00 65.22 ATOM 946 N ILE 58 3.023 -34.586 -3.686 1.00 74.41 ATOM 947 HN ILE 58 2.148 -34.155 -3.799 1.00 38.39 ATOM 948 CA ILE 58 4.200 -33.992 -4.329 1.00 74.11 ATOM 949 HA ILE 58 5.012 -34.707 -4.264 1.00 11.02 ATOM 950 CB ILE 58 3.937 -33.701 -5.832 1.00 54.23 ATOM 951 HB ILE 58 3.171 -32.939 -5.897 1.00 74.43 ATOM 952 CG1 ILE 58 3.439 -34.972 -6.549 1.00 44.54 ATOM 953 HG11 ILE 58 3.250 -34.740 -7.588 1.00 38.39 ATOM 954 HG12 ILE 58 2.518 -35.298 -6.089 1.00 0.41 ATOM 955 CG2 ILE 58 5.198 -33.161 -6.512 1.00 10.45 ATOM 956 HG21 ILE 58 6.005 -33.870 -6.395 1.00 53.31 ATOM 957 HG22 ILE 58 5.479 -32.219 -6.060 1.00 1.03 ATOM 958 HG23 ILE 58 5.005 -33.009 -7.564 1.00 22.24 ATOM 959 CD1 ILE 58 4.413 -36.135 -6.503 1.00 12.31 ATOM 960 HD11 ILE 58 5.348 -35.845 -6.959 1.00 52.12 ATOM 961 HD12 ILE 58 3.996 -36.974 -7.041 1.00 43.41 ATOM 962 HD13 ILE 58 4.586 -36.420 -5.475 1.00 71.13 ATOM 963 C ILE 58 4.629 -32.697 -3.617 1.00 3.13 ATOM 964 O ILE 58 3.812 -31.805 -3.376 1.00 75.01 ATOM 965 N MET 59 5.915 -32.608 -3.281 1.00 53.00 ATOM 966 HN MET 59 6.517 -33.344 -3.524 1.00 38.39 ATOM 967 CA MET 59 6.471 -31.441 -2.579 1.00 20.33 ATOM 968 HA MET 59 5.703 -30.683 -2.519 1.00 25.45 ATOM 969 CB MET 59 6.904 -31.830 -1.155 1.00 1.22 ATOM 970 HB1 MET 59 7.557 -32.689 -1.210 1.00 38.39 ATOM 971 HB2 MET 59 6.024 -32.093 -0.584 1.00 53.55 ATOM 972 CG MET 59 7.638 -30.717 -0.413 1.00 52.22 ATOM 973 HG1 MET 59 8.499 -30.417 -0.994 1.00 38.39 ATOM 974 HG2 MET 59 7.969 -31.094 0.544 1.00 12.24 ATOM 975 SD MET 59 6.605 -29.268 -0.131 1.00 45.52 ATOM 976 CE MET 59 5.471 -29.899 1.102 1.00 75.02 ATOM 977 HE1 MET 59 6.026 -30.189 1.983 1.00 52.43 ATOM 978 HE2 MET 59 4.948 -30.758 0.707 1.00 63.11 ATOM 979 HE3 MET 59 4.756 -29.132 1.363 1.00 53.53 ATOM 980 C MET 59 7.674 -30.875 -3.341 1.00 43.14 ATOM 981 O MET 59 8.506 -31.630 -3.831 1.00 34.04 ATOM 982 N ALA 60 7.763 -29.545 -3.437 1.00 32.15 ATOM 983 HN ALA 60 7.061 -28.992 -3.032 1.00 38.39 ATOM 984 CA ALA 60 8.886 -28.886 -4.125 1.00 50.23 ATOM 985 HA ALA 60 8.682 -27.824 -4.145 1.00 31.01 ATOM 986 CB ALA 60 10.180 -29.102 -3.340 1.00 41.12 ATOM 987 HB1 ALA 60 10.988 -28.567 -3.819 1.00 43.44 ATOM 988 HB2 ALA 60 10.414 -30.156 -3.310 1.00 63.24 ATOM 989 HB3 ALA 60 10.056 -28.734 -2.331 1.00 62.24 ATOM 990 C ALA 60 9.044 -29.383 -5.577 1.00 23.12 ATOM 991 O ALA 60 10.148 -29.399 -6.123 1.00 50.24 ATOM 992 N LYS 61 7.918 -29.768 -6.192 1.00 24.34 ATOM 993 HN LYS 61 7.071 -29.713 -5.696 1.00 38.39 ATOM 994 CA LYS 61 7.882 -30.266 -7.580 1.00 24.11 ATOM 995 HA LYS 61 6.840 -30.391 -7.841 1.00 33.21 ATOM 996 CB LYS 61 8.507 -29.244 -8.559 1.00 73.41 ATOM 997 HB1 LYS 61 8.218 -29.505 -9.569 1.00 38.39 ATOM 998 HB2 LYS 61 9.585 -29.300 -8.481 1.00 13.01 ATOM 999 CG LYS 61 8.086 -27.794 -8.299 1.00 24.41 ATOM 1000 HG1 LYS 61 8.404 -27.184 -9.135 1.00 38.39 ATOM 1001 HG2 LYS 61 8.574 -27.449 -7.399 1.00 34.30 ATOM 1002 CD LYS 61 6.575 -27.653 -8.126 1.00 11.42 ATOM 1003 HD1 LYS 61 6.214 -28.467 -7.514 1.00 38.39 ATOM 1004 HD2 LYS 61 6.105 -27.699 -9.097 1.00 73.03 ATOM 1005 CE LYS 61 6.200 -26.333 -7.459 1.00 42.04 ATOM 1006 HE1 LYS 61 6.301 -25.533 -8.179 1.00 38.39 ATOM 1007 HE2 LYS 61 6.871 -26.156 -6.631 1.00 15.05 ATOM 1008 NZ LYS 61 4.803 -26.352 -6.949 1.00 14.12 ATOM 1009 HZ1 LYS 61 4.697 -27.084 -6.216 1.00 33.03 ATOM 1010 HZ2 LYS 61 4.140 -26.567 -7.719 1.00 74.52 ATOM 1011 HZ3 LYS 61 4.552 -25.432 -6.539 1.00 15.25 ATOM 1012 C LYS 61 8.573 -31.640 -7.718 1.00 13.12 ATOM 1013 O LYS 61 8.850 -32.095 -8.829 1.00 71.12 ATOM 1014 N GLN 62 8.829 -32.303 -6.588 1.00 31.42 ATOM 1015 HN GLN 62 8.603 -31.883 -5.731 1.00 38.39 ATOM 1016 CA GLN 62 9.430 -33.648 -6.581 1.00 61.34 ATOM 1017 HA GLN 62 9.460 -34.004 -7.601 1.00 23.32 ATOM 1018 CB GLN 62 10.865 -33.603 -6.024 1.00 2.22 ATOM 1019 HB1 GLN 62 11.456 -32.938 -6.639 1.00 38.39 ATOM 1020 HB2 GLN 62 11.292 -34.596 -6.075 1.00 73.14 ATOM 1021 CG GLN 62 10.951 -33.118 -4.580 1.00 51.23 ATOM 1022 HG1 GLN 62 10.293 -33.724 -3.972 1.00 38.39 ATOM 1023 HG2 GLN 62 10.624 -32.089 -4.541 1.00 40.35 ATOM 1024 CD GLN 62 12.355 -33.200 -4.006 1.00 61.42 ATOM 1025 OE1 GLN 62 13.146 -32.268 -4.121 1.00 64.03 ATOM 1026 NE2 GLN 62 12.670 -34.310 -3.371 1.00 30.43 ATOM 1027 HE21 GLN 62 11.994 -35.015 -3.303 1.00 32.25 ATOM 1028 HE22 GLN 62 13.569 -34.385 -2.992 1.00 21.30 ATOM 1029 C GLN 62 8.582 -34.623 -5.744 1.00 34.42 ATOM 1030 O GLN 62 7.744 -34.206 -4.941 1.00 23.14 ATOM 1031 N VAL 63 8.798 -35.923 -5.932 1.00 1.55 ATOM 1032 HN VAL 63 9.447 -36.210 -6.609 1.00 38.39 ATOM 1033 CA VAL 63 8.081 -36.934 -5.148 1.00 11.12 ATOM 1034 HA VAL 63 7.028 -36.678 -5.168 1.00 51.42 ATOM 1035 CB VAL 63 8.245 -38.351 -5.762 1.00 51.11 ATOM 1036 HB VAL 63 7.899 -38.312 -6.787 1.00 24.01 ATOM 1037 CG1 VAL 63 9.711 -38.782 -5.781 1.00 61.34 ATOM 1038 HG11 VAL 63 9.794 -39.763 -6.230 1.00 61.34 ATOM 1039 HG12 VAL 63 10.093 -38.816 -4.771 1.00 24.10 ATOM 1040 HG13 VAL 63 10.287 -38.074 -6.359 1.00 0.32 ATOM 1041 CG2 VAL 63 7.386 -39.370 -5.016 1.00 22.22 ATOM 1042 HG21 VAL 63 7.678 -39.401 -3.976 1.00 13.32 ATOM 1043 HG22 VAL 63 7.522 -40.347 -5.455 1.00 42.31 ATOM 1044 HG23 VAL 63 6.345 -39.087 -5.089 1.00 11.40 ATOM 1045 C VAL 63 8.555 -36.938 -3.680 1.00 14.40 ATOM 1046 O VAL 63 9.758 -36.892 -3.405 1.00 34.43 ATOM 1047 N LEU 64 7.608 -36.965 -2.743 1.00 51.45 ATOM 1048 HN LEU 64 6.666 -36.975 -3.015 1.00 38.39 ATOM 1049 CA LEU 64 7.941 -36.975 -1.313 1.00 13.31 ATOM 1050 HA LEU 64 8.674 -36.199 -1.144 1.00 74.32 ATOM 1051 CB LEU 64 6.694 -36.668 -0.471 1.00 15.15 ATOM 1052 HB1 LEU 64 5.963 -37.443 -0.655 1.00 38.39 ATOM 1053 HB2 LEU 64 6.283 -35.725 -0.808 1.00 3.35 ATOM 1054 CG LEU 64 6.929 -36.579 1.049 1.00 34.14 ATOM 1055 HG LEU 64 7.323 -37.524 1.398 1.00 50.42 ATOM 1056 CD1 LEU 64 7.954 -35.494 1.383 1.00 0.42 ATOM 1057 HD11 LEU 64 7.598 -34.537 1.029 1.00 44.21 ATOM 1058 HD12 LEU 64 8.894 -35.726 0.905 1.00 73.13 ATOM 1059 HD13 LEU 64 8.099 -35.450 2.453 1.00 23.13 ATOM 1060 CD2 LEU 64 5.611 -36.322 1.779 1.00 53.23 ATOM 1061 HD21 LEU 64 5.791 -36.265 2.844 1.00 23.13 ATOM 1062 HD22 LEU 64 4.923 -37.130 1.576 1.00 41.31 ATOM 1063 HD23 LEU 64 5.183 -35.391 1.436 1.00 43.52 ATOM 1064 C LEU 64 8.546 -38.324 -0.894 1.00 43.54 ATOM 1065 O LEU 64 7.879 -39.363 -0.942 1.00 45.41 ATOM 1066 N ASP 65 9.813 -38.303 -0.487 1.00 52.02 ATOM 1067 HN ASP 65 10.292 -37.444 -0.461 1.00 38.39 ATOM 1068 CA ASP 65 10.522 -39.523 -0.101 1.00 43.32 ATOM 1069 HA ASP 65 10.376 -40.252 -0.887 1.00 54.42 ATOM 1070 CB ASP 65 12.022 -39.232 0.031 1.00 70.20 ATOM 1071 HB1 ASP 65 12.565 -40.168 0.047 1.00 38.39 ATOM 1072 HB2 ASP 65 12.203 -38.703 0.955 1.00 1.44 ATOM 1073 CG ASP 65 12.549 -38.389 -1.116 1.00 41.21 ATOM 1074 OD1 ASP 65 13.017 -38.963 -2.114 1.00 12.12 ATOM 1075 OD2 ASP 65 12.484 -37.145 -1.017 1.00 4.15 ATOM 1076 C ASP 65 9.971 -40.099 1.219 1.00 1.21 ATOM 1077 O ASP 65 10.536 -39.876 2.290 1.00 45.42 ATOM 1078 N LEU 66 8.860 -40.836 1.127 1.00 12.42 ATOM 1079 HN LEU 66 8.460 -40.973 0.240 1.00 38.39 ATOM 1080 CA LEU 66 8.190 -41.416 2.306 1.00 51.32 ATOM 1081 HA LEU 66 7.758 -40.600 2.866 1.00 62.14 ATOM 1082 CB LEU 66 7.059 -42.355 1.860 1.00 3.32 ATOM 1083 HB1 LEU 66 6.619 -42.801 2.743 1.00 38.39 ATOM 1084 HB2 LEU 66 7.493 -43.144 1.260 1.00 54.43 ATOM 1085 CG LEU 66 5.934 -41.693 1.045 1.00 63.31 ATOM 1086 HG LEU 66 6.356 -41.276 0.141 1.00 43.31 ATOM 1087 CD1 LEU 66 4.884 -42.724 0.636 1.00 73.14 ATOM 1088 HD11 LEU 66 4.446 -43.166 1.519 1.00 14.44 ATOM 1089 HD12 LEU 66 5.350 -43.496 0.041 1.00 25.30 ATOM 1090 HD13 LEU 66 4.112 -42.241 0.054 1.00 3.20 ATOM 1091 CD2 LEU 66 5.292 -40.549 1.832 1.00 52.31 ATOM 1092 HD21 LEU 66 4.883 -40.929 2.757 1.00 10.43 ATOM 1093 HD22 LEU 66 4.499 -40.106 1.245 1.00 65.14 ATOM 1094 HD23 LEU 66 6.038 -39.799 2.051 1.00 4.23 ATOM 1095 C LEU 66 9.167 -42.173 3.224 1.00 72.04 ATOM 1096 O LEU 66 9.133 -42.014 4.444 1.00 42.01 ATOM 1097 N PHE 67 10.036 -42.992 2.630 1.00 53.42 ATOM 1098 HN PHE 67 9.993 -43.103 1.659 1.00 38.39 ATOM 1099 CA PHE 67 11.045 -43.737 3.396 1.00 41.42 ATOM 1100 HA PHE 67 10.520 -44.406 4.065 1.00 15.32 ATOM 1101 CB PHE 67 11.927 -44.570 2.454 1.00 53.22 ATOM 1102 HB1 PHE 67 12.382 -43.914 1.722 1.00 38.39 ATOM 1103 HB2 PHE 67 11.310 -45.293 1.941 1.00 75.11 ATOM 1104 CG PHE 67 13.035 -45.326 3.158 1.00 62.14 ATOM 1105 CD1 PHE 67 12.756 -46.476 3.885 1.00 30.44 ATOM 1106 HD1 PHE 67 11.738 -46.830 3.947 1.00 63.32 ATOM 1107 CD2 PHE 67 14.352 -44.888 3.091 1.00 64.24 ATOM 1108 HD2 PHE 67 14.584 -43.994 2.529 1.00 33.43 ATOM 1109 CE1 PHE 67 13.764 -47.171 4.528 1.00 51.23 ATOM 1110 HE1 PHE 67 13.532 -48.065 5.089 1.00 42.03 ATOM 1111 CE2 PHE 67 15.362 -45.580 3.732 1.00 1.33 ATOM 1112 HE2 PHE 67 16.382 -45.228 3.670 1.00 10.34 ATOM 1113 CZ PHE 67 15.068 -46.723 4.451 1.00 11.54 ATOM 1114 HZ PHE 67 15.857 -47.265 4.953 1.00 12.00 ATOM 1115 C PHE 67 11.921 -42.791 4.235 1.00 24.42 ATOM 1116 O PHE 67 12.120 -43.009 5.429 1.00 50.11 ATOM 1117 N MET 68 12.428 -41.732 3.605 1.00 34.54 ATOM 1118 HN MET 68 12.200 -41.582 2.667 1.00 38.39 ATOM 1119 CA MET 68 13.298 -40.771 4.293 1.00 71.45 ATOM 1120 HA MET 68 14.085 -41.331 4.779 1.00 35.44 ATOM 1121 CB MET 68 13.929 -39.794 3.292 1.00 51.00 ATOM 1122 HB1 MET 68 14.651 -39.181 3.814 1.00 38.39 ATOM 1123 HB2 MET 68 13.155 -39.155 2.890 1.00 52.21 ATOM 1124 CG MET 68 14.636 -40.473 2.126 1.00 34.21 ATOM 1125 HG1 MET 68 15.138 -39.718 1.538 1.00 38.39 ATOM 1126 HG2 MET 68 13.896 -40.968 1.513 1.00 1.42 ATOM 1127 SD MET 68 15.851 -41.697 2.653 1.00 73.15 ATOM 1128 CE MET 68 16.999 -40.679 3.585 1.00 61.35 ATOM 1129 HE1 MET 68 17.816 -41.289 3.939 1.00 10.53 ATOM 1130 HE2 MET 68 16.487 -40.239 4.428 1.00 64.40 ATOM 1131 HE3 MET 68 17.384 -39.895 2.949 1.00 71.50 ATOM 1132 C MET 68 12.517 -39.994 5.361 1.00 40.31 ATOM 1133 O MET 68 13.013 -39.765 6.462 1.00 33.33 ATOM 1134 N LEU 69 11.289 -39.601 5.022 1.00 61.14 ATOM 1135 HN LEU 69 10.969 -39.778 4.113 1.00 38.39 ATOM 1136 CA LEU 69 10.402 -38.907 5.961 1.00 1.24 ATOM 1137 HA LEU 69 10.857 -37.958 6.207 1.00 12.13 ATOM 1138 CB LEU 69 9.036 -38.654 5.299 1.00 2.23 ATOM 1139 HB1 LEU 69 8.559 -39.610 5.139 1.00 38.39 ATOM 1140 HB2 LEU 69 9.209 -38.196 4.333 1.00 65.41 ATOM 1141 CG LEU 69 8.063 -37.758 6.088 1.00 11.14 ATOM 1142 HG LEU 69 7.924 -38.171 7.077 1.00 33.30 ATOM 1143 CD1 LEU 69 8.630 -36.351 6.248 1.00 41.00 ATOM 1144 HD11 LEU 69 9.549 -36.394 6.813 1.00 3.04 ATOM 1145 HD12 LEU 69 7.916 -35.731 6.771 1.00 43.44 ATOM 1146 HD13 LEU 69 8.827 -35.927 5.272 1.00 11.34 ATOM 1147 CD2 LEU 69 6.698 -37.711 5.402 1.00 45.23 ATOM 1148 HD21 LEU 69 6.287 -38.709 5.346 1.00 31.12 ATOM 1149 HD22 LEU 69 6.807 -37.311 4.404 1.00 75.40 ATOM 1150 HD23 LEU 69 6.031 -37.080 5.970 1.00 54.14 ATOM 1151 C LEU 69 10.226 -39.726 7.252 1.00 52.23 ATOM 1152 O LEU 69 10.316 -39.192 8.359 1.00 10.53 ATOM 1153 N TYR 70 9.990 -41.030 7.095 1.00 74.32 ATOM 1154 HN TYR 70 9.889 -41.388 6.187 1.00 38.39 ATOM 1155 CA TYR 70 9.870 -41.945 8.235 1.00 50.55 ATOM 1156 HA TYR 70 9.078 -41.576 8.869 1.00 53.51 ATOM 1157 CB TYR 70 9.496 -43.350 7.743 1.00 54.33 ATOM 1158 HB1 TYR 70 10.248 -43.690 7.043 1.00 38.39 ATOM 1159 HB2 TYR 70 8.541 -43.303 7.236 1.00 54.12 ATOM 1160 CG TYR 70 9.382 -44.388 8.850 1.00 20.32 ATOM 1161 CD1 TYR 70 8.208 -44.529 9.587 1.00 4.43 ATOM 1162 HD1 TYR 70 7.370 -43.884 9.367 1.00 51.04 ATOM 1163 CD2 TYR 70 10.449 -45.231 9.154 1.00 41.42 ATOM 1164 HD2 TYR 70 11.368 -45.138 8.595 1.00 44.55 ATOM 1165 CE1 TYR 70 8.105 -45.474 10.592 1.00 52.23 ATOM 1166 HE1 TYR 70 7.184 -45.569 11.152 1.00 14.42 ATOM 1167 CE2 TYR 70 10.350 -46.177 10.155 1.00 63.22 ATOM 1168 HE2 TYR 70 11.191 -46.821 10.376 1.00 41.13 ATOM 1169 CZ TYR 70 9.179 -46.295 10.870 1.00 63.51 ATOM 1170 OH TYR 70 9.088 -47.235 11.875 1.00 62.55 ATOM 1171 HH TYR 70 9.819 -47.106 12.496 1.00 53.32 ATOM 1172 C TYR 70 11.171 -42.000 9.052 1.00 31.50 ATOM 1173 O TYR 70 11.156 -41.827 10.272 1.00 1.41 ATOM 1174 N VAL 71 12.291 -42.249 8.370 1.00 24.34 ATOM 1175 HN VAL 71 12.237 -42.377 7.398 1.00 38.39 ATOM 1176 CA VAL 71 13.602 -42.340 9.027 1.00 13.13 ATOM 1177 HA VAL 71 13.574 -43.194 9.692 1.00 72.14 ATOM 1178 CB VAL 71 14.737 -42.576 7.992 1.00 25.24 ATOM 1179 HB VAL 71 14.707 -41.772 7.269 1.00 43.42 ATOM 1180 CG1 VAL 71 16.111 -42.560 8.665 1.00 31.11 ATOM 1181 HG11 VAL 71 16.877 -42.752 7.927 1.00 65.04 ATOM 1182 HG12 VAL 71 16.149 -43.324 9.428 1.00 10.30 ATOM 1183 HG13 VAL 71 16.281 -41.593 9.117 1.00 51.41 ATOM 1184 CG2 VAL 71 14.520 -43.894 7.249 1.00 5.12 ATOM 1185 HG21 VAL 71 13.565 -43.870 6.743 1.00 22.34 ATOM 1186 HG22 VAL 71 14.532 -44.713 7.954 1.00 21.32 ATOM 1187 HG23 VAL 71 15.307 -44.034 6.521 1.00 62.02 ATOM 1188 C VAL 71 13.918 -41.082 9.857 1.00 64.41 ATOM 1189 O VAL 71 14.286 -41.179 11.030 1.00 12.31 ATOM 1190 N LEU 72 13.753 -39.907 9.250 1.00 74.40 ATOM 1191 HN LEU 72 13.447 -39.892 8.317 1.00 38.39 ATOM 1192 CA LEU 72 14.021 -38.636 9.934 1.00 42.30 ATOM 1193 HA LEU 72 15.038 -38.682 10.301 1.00 53.53 ATOM 1194 CB LEU 72 13.914 -37.453 8.950 1.00 65.22 ATOM 1195 HB1 LEU 72 13.655 -36.565 9.510 1.00 38.39 ATOM 1196 HB2 LEU 72 13.110 -37.661 8.257 1.00 75.44 ATOM 1197 CG LEU 72 15.187 -37.144 8.133 1.00 63.33 ATOM 1198 HG LEU 72 14.984 -36.314 7.469 1.00 64.03 ATOM 1199 CD1 LEU 72 16.329 -36.724 9.055 1.00 51.55 ATOM 1200 HD11 LEU 72 16.037 -35.847 9.614 1.00 41.41 ATOM 1201 HD12 LEU 72 17.206 -36.497 8.465 1.00 21.41 ATOM 1202 HD13 LEU 72 16.557 -37.528 9.741 1.00 33.25 ATOM 1203 CD2 LEU 72 15.598 -38.340 7.275 1.00 61.45 ATOM 1204 HD21 LEU 72 16.497 -38.098 6.727 1.00 30.30 ATOM 1205 HD22 LEU 72 14.807 -38.572 6.578 1.00 12.43 ATOM 1206 HD23 LEU 72 15.782 -39.196 7.909 1.00 25.10 ATOM 1207 C LEU 72 13.088 -38.418 11.141 1.00 20.32 ATOM 1208 O LEU 72 13.550 -38.205 12.259 1.00 2.41 ATOM 1209 N VAL 73 11.779 -38.481 10.922 1.00 73.41 ATOM 1210 HN VAL 73 11.454 -38.694 10.019 1.00 38.39 ATOM 1211 CA VAL 73 10.809 -38.235 12.000 1.00 74.50 ATOM 1212 HA VAL 73 10.973 -37.225 12.358 1.00 72.51 ATOM 1213 CB VAL 73 9.353 -38.324 11.476 1.00 41.40 ATOM 1214 HB VAL 73 9.217 -39.294 11.015 1.00 63.12 ATOM 1215 CG1 VAL 73 8.346 -38.194 12.616 1.00 15.32 ATOM 1216 HG11 VAL 73 8.488 -39.003 13.319 1.00 75.11 ATOM 1217 HG12 VAL 73 7.343 -38.238 12.218 1.00 70.23 ATOM 1218 HG13 VAL 73 8.492 -37.249 13.120 1.00 61.22 ATOM 1219 CG2 VAL 73 9.101 -37.252 10.413 1.00 55.02 ATOM 1220 HG21 VAL 73 8.088 -37.338 10.044 1.00 75.34 ATOM 1221 HG22 VAL 73 9.793 -37.385 9.592 1.00 73.42 ATOM 1222 HG23 VAL 73 9.243 -36.273 10.847 1.00 2.51 ATOM 1223 C VAL 73 11.001 -39.204 13.186 1.00 3.32 ATOM 1224 O VAL 73 10.900 -38.805 14.352 1.00 45.23 ATOM 1225 N THR 74 11.298 -40.468 12.890 1.00 54.22 ATOM 1226 HN THR 74 11.391 -40.730 11.948 1.00 38.39 ATOM 1227 CA THR 74 11.491 -41.476 13.944 1.00 2.24 ATOM 1228 HA THR 74 10.660 -41.385 14.631 1.00 72.13 ATOM 1229 CB THR 74 11.483 -42.919 13.386 1.00 51.33 ATOM 1230 HB THR 74 11.722 -43.600 14.192 1.00 12.15 ATOM 1231 OG1 THR 74 12.469 -43.063 12.354 1.00 12.24 ATOM 1232 HG1 THR 74 12.034 -43.044 11.492 1.00 72.43 ATOM 1233 CG2 THR 74 10.108 -43.286 12.840 1.00 71.21 ATOM 1234 HG21 THR 74 10.135 -44.290 12.441 1.00 75.23 ATOM 1235 HG22 THR 74 9.833 -42.595 12.056 1.00 74.21 ATOM 1236 HG23 THR 74 9.378 -43.235 13.635 1.00 63.22 ATOM 1237 C THR 74 12.792 -41.255 14.734 1.00 24.31 ATOM 1238 O THR 74 12.812 -41.420 15.956 1.00 44.21 ATOM 1239 N GLU 75 13.878 -40.884 14.049 1.00 52.40 ATOM 1240 HN GLU 75 13.828 -40.800 13.070 1.00 38.39 ATOM 1241 CA GLU 75 15.155 -40.619 14.735 1.00 31.41 ATOM 1242 HA GLU 75 15.341 -41.454 15.397 1.00 64.33 ATOM 1243 CB GLU 75 16.322 -40.516 13.737 1.00 61.03 ATOM 1244 HB1 GLU 75 16.345 -41.418 13.140 1.00 38.39 ATOM 1245 HB2 GLU 75 17.247 -40.444 14.293 1.00 31.31 ATOM 1246 CG GLU 75 16.239 -39.322 12.793 1.00 10.50 ATOM 1247 HG1 GLU 75 16.088 -38.426 13.380 1.00 38.39 ATOM 1248 HG2 GLU 75 15.394 -39.461 12.134 1.00 3.53 ATOM 1249 CD GLU 75 17.489 -39.145 11.945 1.00 52.21 ATOM 1250 OE1 GLU 75 18.272 -38.208 12.216 1.00 1.01 ATOM 1251 OE2 GLU 75 17.708 -39.949 11.017 1.00 52.54 ATOM 1252 C GLU 75 15.082 -39.340 15.587 1.00 12.40 ATOM 1253 O GLU 75 15.809 -39.195 16.571 1.00 72.12 ATOM 1254 N LYS 76 14.199 -38.413 15.208 1.00 74.55 ATOM 1255 HN LYS 76 13.676 -38.559 14.391 1.00 38.39 ATOM 1256 CA LYS 76 14.011 -37.170 15.967 1.00 32.02 ATOM 1257 HA LYS 76 14.989 -36.833 16.288 1.00 72.11 ATOM 1258 CB LYS 76 13.387 -36.079 15.081 1.00 64.44 ATOM 1259 HB1 LYS 76 13.265 -35.179 15.669 1.00 38.39 ATOM 1260 HB2 LYS 76 12.413 -36.415 14.753 1.00 5.15 ATOM 1261 CG LYS 76 14.210 -35.732 13.842 1.00 54.31 ATOM 1262 HG1 LYS 76 13.699 -34.953 13.293 1.00 38.39 ATOM 1263 HG2 LYS 76 14.289 -36.613 13.221 1.00 53.34 ATOM 1264 CD LYS 76 15.619 -35.252 14.191 1.00 44.42 ATOM 1265 HD1 LYS 76 16.118 -36.017 14.770 1.00 38.39 ATOM 1266 HD2 LYS 76 15.548 -34.345 14.774 1.00 74.33 ATOM 1267 CE LYS 76 16.437 -34.970 12.934 1.00 51.11 ATOM 1268 HE1 LYS 76 15.971 -34.159 12.391 1.00 38.39 ATOM 1269 HE2 LYS 76 16.443 -35.855 12.316 1.00 24.23 ATOM 1270 NZ LYS 76 17.843 -34.594 13.245 1.00 70.11 ATOM 1271 HZ1 LYS 76 18.244 -35.251 13.947 1.00 12.02 ATOM 1272 HZ2 LYS 76 17.888 -33.626 13.624 1.00 20.34 ATOM 1273 HZ3 LYS 76 18.421 -34.639 12.383 1.00 33.01 ATOM 1274 C LYS 76 13.140 -37.387 17.219 1.00 54.45 ATOM 1275 O LYS 76 13.024 -36.492 18.057 1.00 12.01 ATOM 1276 N GLY 77 12.521 -38.570 17.339 1.00 62.13 ATOM 1277 HN GLY 77 12.595 -39.225 16.615 1.00 38.39 ATOM 1278 CA GLY 77 11.753 -38.898 18.545 1.00 74.43 ATOM 1279 HA1 GLY 77 11.731 -38.028 19.189 1.00 38.39 ATOM 1280 HA2 GLY 77 12.264 -39.691 19.066 1.00 41.44 ATOM 1281 C GLY 77 10.311 -39.346 18.285 1.00 55.14 ATOM 1282 O GLY 77 9.637 -39.814 19.204 1.00 61.40 ATOM 1283 N GLY 78 9.830 -39.197 17.050 1.00 33.22 ATOM 1284 HN GLY 78 10.405 -38.811 16.355 1.00 38.39 ATOM 1285 CA GLY 78 8.456 -39.592 16.718 1.00 61.02 ATOM 1286 HA1 GLY 78 7.971 -39.970 17.609 1.00 38.39 ATOM 1287 HA2 GLY 78 8.494 -40.382 15.985 1.00 14.45 ATOM 1288 C GLY 78 7.622 -38.442 16.156 1.00 23.20 ATOM 1289 O GLY 78 8.009 -37.279 16.265 1.00 0.33 ATOM 1290 N LEU 79 6.468 -38.767 15.566 1.00 35.43 ATOM 1291 HN LEU 79 6.185 -39.711 15.559 1.00 38.39 ATOM 1292 CA LEU 79 5.607 -37.757 14.925 1.00 21.41 ATOM 1293 HA LEU 79 6.152 -37.363 14.077 1.00 40.02 ATOM 1294 CB LEU 79 4.310 -38.404 14.412 1.00 22.54 ATOM 1295 HB1 LEU 79 3.823 -38.890 15.246 1.00 38.39 ATOM 1296 HB2 LEU 79 4.576 -39.159 13.684 1.00 75.14 ATOM 1297 CG LEU 79 3.300 -37.434 13.761 1.00 34.40 ATOM 1298 HG LEU 79 3.001 -36.698 14.494 1.00 71.02 ATOM 1299 CD1 LEU 79 3.930 -36.688 12.586 1.00 65.33 ATOM 1300 HD11 LEU 79 4.781 -36.121 12.933 1.00 44.33 ATOM 1301 HD12 LEU 79 3.203 -36.015 12.156 1.00 61.43 ATOM 1302 HD13 LEU 79 4.252 -37.396 11.836 1.00 53.31 ATOM 1303 CD2 LEU 79 2.044 -38.179 13.310 1.00 72.32 ATOM 1304 HD21 LEU 79 1.344 -37.478 12.880 1.00 23.11 ATOM 1305 HD22 LEU 79 1.588 -38.665 14.159 1.00 35.43 ATOM 1306 HD23 LEU 79 2.309 -38.922 12.570 1.00 51.24 ATOM 1307 C LEU 79 5.274 -36.587 15.869 1.00 15.31 ATOM 1308 O LEU 79 5.567 -35.428 15.566 1.00 35.01 ATOM 1309 N VAL 80 4.669 -36.892 17.013 1.00 1.20 ATOM 1310 HN VAL 80 4.493 -37.836 17.222 1.00 38.39 ATOM 1311 CA VAL 80 4.275 -35.858 17.975 1.00 63.53 ATOM 1312 HA VAL 80 3.667 -35.134 17.447 1.00 65.33 ATOM 1313 CB VAL 80 3.425 -36.450 19.124 1.00 25.55 ATOM 1314 HB VAL 80 4.004 -37.221 19.613 1.00 61.21 ATOM 1315 CG1 VAL 80 3.081 -35.384 20.160 1.00 72.24 ATOM 1316 HG11 VAL 80 2.517 -34.591 19.690 1.00 61.00 ATOM 1317 HG12 VAL 80 3.990 -34.978 20.578 1.00 12.20 ATOM 1318 HG13 VAL 80 2.491 -35.827 20.949 1.00 64.24 ATOM 1319 CG2 VAL 80 2.153 -37.088 18.571 1.00 71.03 ATOM 1320 HG21 VAL 80 2.414 -37.859 17.860 1.00 72.43 ATOM 1321 HG22 VAL 80 1.554 -36.335 18.080 1.00 55.21 ATOM 1322 HG23 VAL 80 1.586 -37.525 19.382 1.00 0.25 ATOM 1323 C VAL 80 5.498 -35.132 18.555 1.00 73.11 ATOM 1324 O VAL 80 5.480 -33.913 18.730 1.00 74.24 ATOM 1325 N GLU 81 6.560 -35.885 18.832 1.00 50.24 ATOM 1326 HN GLU 81 6.502 -36.855 18.700 1.00 38.39 ATOM 1327 CA GLU 81 7.812 -35.304 19.328 1.00 21.42 ATOM 1328 HA GLU 81 7.614 -34.861 20.295 1.00 34.02 ATOM 1329 CB GLU 81 8.874 -36.400 19.485 1.00 30.44 ATOM 1330 HB1 GLU 81 9.150 -36.760 18.503 1.00 38.39 ATOM 1331 HB2 GLU 81 8.447 -37.220 20.046 1.00 14.24 ATOM 1332 CG GLU 81 10.145 -35.944 20.199 1.00 50.20 ATOM 1333 HG1 GLU 81 10.529 -35.067 19.697 1.00 38.39 ATOM 1334 HG2 GLU 81 10.877 -36.737 20.141 1.00 71.14 ATOM 1335 CD GLU 81 9.909 -35.608 21.663 1.00 42.02 ATOM 1336 OE1 GLU 81 9.897 -34.406 22.016 1.00 61.25 ATOM 1337 OE2 GLU 81 9.724 -36.546 22.468 1.00 54.24 ATOM 1338 C GLU 81 8.317 -34.212 18.370 1.00 1.45 ATOM 1339 O GLU 81 8.740 -33.136 18.798 1.00 22.42 ATOM 1340 N VAL 82 8.243 -34.493 17.067 1.00 54.14 ATOM 1341 HN VAL 82 7.927 -35.380 16.790 1.00 38.39 ATOM 1342 CA VAL 82 8.620 -33.518 16.039 1.00 14.54 ATOM 1343 HA VAL 82 9.624 -33.184 16.261 1.00 53.43 ATOM 1344 CB VAL 82 8.628 -34.162 14.624 1.00 14.11 ATOM 1345 HB VAL 82 7.647 -34.576 14.433 1.00 74.54 ATOM 1346 CG1 VAL 82 8.925 -33.120 13.545 1.00 62.05 ATOM 1347 HG11 VAL 82 8.890 -33.588 12.570 1.00 4.42 ATOM 1348 HG12 VAL 82 9.908 -32.701 13.707 1.00 3.02 ATOM 1349 HG13 VAL 82 8.188 -32.332 13.591 1.00 72.25 ATOM 1350 CG2 VAL 82 9.647 -35.298 14.559 1.00 14.23 ATOM 1351 HG21 VAL 82 9.618 -35.754 13.580 1.00 14.53 ATOM 1352 HG22 VAL 82 9.410 -36.039 15.307 1.00 23.21 ATOM 1353 HG23 VAL 82 10.638 -34.907 14.744 1.00 61.02 ATOM 1354 C VAL 82 7.682 -32.299 16.051 1.00 41.33 ATOM 1355 O VAL 82 8.135 -31.153 15.964 1.00 1.25 ATOM 1356 N ILE 83 6.378 -32.553 16.176 1.00 14.34 ATOM 1357 HN ILE 83 6.081 -33.488 16.230 1.00 38.39 ATOM 1358 CA ILE 83 5.375 -31.479 16.235 1.00 65.33 ATOM 1359 HA ILE 83 5.481 -30.881 15.339 1.00 12.12 ATOM 1360 CB ILE 83 3.932 -32.053 16.266 1.00 15.14 ATOM 1361 HB ILE 83 3.834 -32.665 17.152 1.00 22.43 ATOM 1362 CG1 ILE 83 3.678 -32.926 15.026 1.00 21.44 ATOM 1363 HG11 ILE 83 4.417 -33.714 14.991 1.00 38.39 ATOM 1364 HG12 ILE 83 3.772 -32.317 14.138 1.00 10.23 ATOM 1365 CG2 ILE 83 2.900 -30.926 16.354 1.00 43.43 ATOM 1366 HG21 ILE 83 2.996 -30.278 15.496 1.00 12.12 ATOM 1367 HG22 ILE 83 3.066 -30.354 17.257 1.00 4.24 ATOM 1368 HG23 ILE 83 1.905 -31.347 16.377 1.00 13.02 ATOM 1369 CD1 ILE 83 2.308 -33.573 14.997 1.00 31.23 ATOM 1370 HD11 ILE 83 2.186 -34.199 15.868 1.00 74.40 ATOM 1371 HD12 ILE 83 2.216 -34.176 14.106 1.00 54.43 ATOM 1372 HD13 ILE 83 1.545 -32.807 14.992 1.00 64.15 ATOM 1373 C ILE 83 5.584 -30.572 17.462 1.00 33.14 ATOM 1374 O ILE 83 5.363 -29.363 17.397 1.00 23.12 ATOM 1375 N ASN 84 6.013 -31.165 18.573 1.00 21.24 ATOM 1376 HN ASN 84 6.148 -32.137 18.570 1.00 38.39 ATOM 1377 CA ASN 84 6.273 -30.413 19.807 1.00 14.25 ATOM 1378 HA ASN 84 5.475 -29.692 19.922 1.00 14.32 ATOM 1379 CB ASN 84 6.262 -31.356 21.018 1.00 34.22 ATOM 1380 HB1 ASN 84 6.587 -30.811 21.893 1.00 38.39 ATOM 1381 HB2 ASN 84 6.946 -32.173 20.836 1.00 1.23 ATOM 1382 CG ASN 84 4.885 -31.938 21.302 1.00 51.14 ATOM 1383 OD1 ASN 84 3.861 -31.306 21.055 1.00 10.04 ATOM 1384 ND2 ASN 84 4.846 -33.141 21.838 1.00 74.21 ATOM 1385 HD21 ASN 84 5.696 -33.592 22.026 1.00 63.02 ATOM 1386 HD22 ASN 84 3.971 -33.534 22.024 1.00 40.12 ATOM 1387 C ASN 84 7.610 -29.649 19.740 1.00 43.14 ATOM 1388 O ASN 84 7.679 -28.474 20.100 1.00 2.03 ATOM 1389 N LYS 85 8.668 -30.314 19.273 1.00 13.23 ATOM 1390 HN LYS 85 8.563 -31.251 19.001 1.00 38.39 ATOM 1391 CA LYS 85 9.992 -29.678 19.167 1.00 0.24 ATOM 1392 HA LYS 85 10.141 -29.088 20.062 1.00 75.54 ATOM 1393 CB LYS 85 11.099 -30.741 19.092 1.00 73.35 ATOM 1394 HB1 LYS 85 12.058 -30.245 19.044 1.00 38.39 ATOM 1395 HB2 LYS 85 10.959 -31.323 18.195 1.00 63.14 ATOM 1396 CG LYS 85 11.112 -31.697 20.282 1.00 53.40 ATOM 1397 HG1 LYS 85 10.212 -32.294 20.254 1.00 38.39 ATOM 1398 HG2 LYS 85 11.129 -31.119 21.195 1.00 3.05 ATOM 1399 CD LYS 85 12.321 -32.634 20.270 1.00 11.20 ATOM 1400 HD1 LYS 85 12.370 -33.131 19.311 1.00 38.39 ATOM 1401 HD2 LYS 85 12.199 -33.373 21.049 1.00 21.22 ATOM 1402 CE LYS 85 13.628 -31.883 20.506 1.00 2.25 ATOM 1403 HE1 LYS 85 13.529 -31.279 21.396 1.00 38.39 ATOM 1404 HE2 LYS 85 13.820 -31.242 19.658 1.00 3.34 ATOM 1405 NZ LYS 85 14.776 -32.812 20.678 1.00 62.10 ATOM 1406 HZ1 LYS 85 15.635 -32.278 20.925 1.00 62.42 ATOM 1407 HZ2 LYS 85 14.952 -33.334 19.798 1.00 4.24 ATOM 1408 HZ3 LYS 85 14.576 -33.492 21.438 1.00 43.51 ATOM 1409 C LYS 85 10.073 -28.734 17.950 1.00 60.01 ATOM 1410 O LYS 85 11.035 -27.977 17.806 1.00 53.52 ATOM 1411 N LYS 86 9.066 -28.803 17.071 1.00 73.50 ATOM 1412 HN LYS 86 8.385 -29.502 17.192 1.00 38.39 ATOM 1413 CA LYS 86 8.931 -27.875 15.929 1.00 23.44 ATOM 1414 HA LYS 86 7.999 -28.103 15.434 1.00 4.22 ATOM 1415 CB LYS 86 8.880 -26.419 16.425 1.00 44.54 ATOM 1416 HB1 LYS 86 8.652 -25.774 15.587 1.00 38.39 ATOM 1417 HB2 LYS 86 9.854 -26.152 16.812 1.00 12.32 ATOM 1418 CG LYS 86 7.849 -26.161 17.519 1.00 30.22 ATOM 1419 HG1 LYS 86 7.934 -25.132 17.840 1.00 38.39 ATOM 1420 HG2 LYS 86 8.060 -26.813 18.355 1.00 74.40 ATOM 1421 CD LYS 86 6.423 -26.416 17.047 1.00 1.35 ATOM 1422 HD1 LYS 86 6.329 -27.452 16.755 1.00 38.39 ATOM 1423 HD2 LYS 86 6.212 -25.780 16.199 1.00 35.22 ATOM 1424 CE LYS 86 5.414 -26.119 18.149 1.00 22.44 ATOM 1425 HE1 LYS 86 5.607 -26.775 18.987 1.00 38.39 ATOM 1426 HE2 LYS 86 4.418 -26.304 17.770 1.00 43.55 ATOM 1427 NZ LYS 86 5.498 -24.707 18.610 1.00 72.41 ATOM 1428 HZ1 LYS 86 5.355 -24.060 17.809 1.00 1.10 ATOM 1429 HZ2 LYS 86 6.427 -24.517 19.032 1.00 21.13 ATOM 1430 HZ3 LYS 86 4.760 -24.519 19.319 1.00 74.41 ATOM 1431 C LYS 86 10.075 -28.015 14.906 1.00 25.51 ATOM 1432 O LYS 86 10.204 -27.191 13.998 1.00 12.42 ATOM 1433 N LEU 87 10.881 -29.068 15.026 1.00 35.20 ATOM 1434 HN LEU 87 10.656 -29.767 15.672 1.00 38.39 ATOM 1435 CA LEU 87 12.099 -29.199 14.210 1.00 63.55 ATOM 1436 HA LEU 87 12.503 -28.201 14.093 1.00 64.21 ATOM 1437 CB LEU 87 13.158 -30.055 14.945 1.00 53.34 ATOM 1438 HB1 LEU 87 13.203 -29.713 15.971 1.00 38.39 ATOM 1439 HB2 LEU 87 14.117 -29.856 14.487 1.00 61.31 ATOM 1440 CG LEU 87 12.952 -31.585 14.962 1.00 11.15 ATOM 1441 HG LEU 87 13.030 -31.960 13.951 1.00 55.44 ATOM 1442 CD1 LEU 87 14.039 -32.262 15.793 1.00 40.43 ATOM 1443 HD11 LEU 87 13.896 -33.333 15.770 1.00 52.32 ATOM 1444 HD12 LEU 87 13.980 -31.916 16.816 1.00 71.21 ATOM 1445 HD13 LEU 87 15.010 -32.020 15.385 1.00 45.12 ATOM 1446 CD2 LEU 87 11.582 -31.960 15.496 1.00 54.25 ATOM 1447 HD21 LEU 87 10.818 -31.485 14.897 1.00 45.24 ATOM 1448 HD22 LEU 87 11.491 -31.635 16.519 1.00 11.44 ATOM 1449 HD23 LEU 87 11.459 -33.032 15.447 1.00 44.11 ATOM 1450 C LEU 87 11.814 -29.748 12.795 1.00 64.33 ATOM 1451 O LEU 87 12.635 -30.459 12.214 1.00 71.55 ATOM 1452 N TRP 88 10.667 -29.369 12.219 1.00 63.41 ATOM 1453 HN TRP 88 10.016 -28.862 12.744 1.00 38.39 ATOM 1454 CA TRP 88 10.360 -29.695 10.818 1.00 3.50 ATOM 1455 HA TRP 88 10.383 -30.774 10.724 1.00 14.30 ATOM 1456 CB TRP 88 8.958 -29.193 10.428 1.00 4.33 ATOM 1457 HB1 TRP 88 8.840 -29.272 9.356 1.00 38.39 ATOM 1458 HB2 TRP 88 8.859 -28.156 10.717 1.00 60.11 ATOM 1459 CG TRP 88 7.835 -29.963 11.073 1.00 32.01 ATOM 1460 CD1 TRP 88 6.977 -29.526 12.047 1.00 60.35 ATOM 1461 HD1 TRP 88 7.002 -28.537 12.483 1.00 25.11 ATOM 1462 CD2 TRP 88 7.450 -31.315 10.783 1.00 73.52 ATOM 1463 NE1 TRP 88 6.085 -30.519 12.371 1.00 24.52 ATOM 1464 HE1 TRP 88 5.372 -30.447 13.038 1.00 3.14 ATOM 1465 CE2 TRP 88 6.357 -31.627 11.614 1.00 12.04 ATOM 1466 CE3 TRP 88 7.924 -32.291 9.900 1.00 24.03 ATOM 1467 HE3 TRP 88 8.760 -32.093 9.245 1.00 5.31 ATOM 1468 CZ2 TRP 88 5.734 -32.872 11.588 1.00 52.04 ATOM 1469 HZ2 TRP 88 4.896 -33.105 12.227 1.00 53.23 ATOM 1470 CZ3 TRP 88 7.304 -33.528 9.878 1.00 61.34 ATOM 1471 HZ3 TRP 88 7.660 -34.297 9.205 1.00 51.30 ATOM 1472 CH2 TRP 88 6.220 -33.808 10.716 1.00 12.21 ATOM 1473 HH2 TRP 88 5.769 -34.789 10.666 1.00 5.52 ATOM 1474 C TRP 88 11.428 -29.107 9.873 1.00 73.34 ATOM 1475 O TRP 88 11.568 -29.536 8.725 1.00 63.24 ATOM 1476 N ARG 89 12.167 -28.111 10.371 1.00 74.22 ATOM 1477 HN ARG 89 11.889 -27.696 11.216 1.00 38.39 ATOM 1478 CA ARG 89 13.366 -27.603 9.688 1.00 63.24 ATOM 1479 HA ARG 89 13.059 -27.152 8.756 1.00 43.21 ATOM 1480 CB ARG 89 14.065 -26.545 10.559 1.00 73.14 ATOM 1481 HB1 ARG 89 14.931 -26.177 10.028 1.00 38.39 ATOM 1482 HB2 ARG 89 14.393 -27.013 11.477 1.00 44.14 ATOM 1483 CG ARG 89 13.186 -25.350 10.921 1.00 52.24 ATOM 1484 HG1 ARG 89 13.715 -24.732 11.634 1.00 38.39 ATOM 1485 HG2 ARG 89 12.271 -25.710 11.369 1.00 13.03 ATOM 1486 CD ARG 89 12.840 -24.506 9.698 1.00 14.05 ATOM 1487 HD1 ARG 89 12.135 -23.741 9.992 1.00 38.39 ATOM 1488 HD2 ARG 89 12.387 -25.143 8.951 1.00 2.53 ATOM 1489 NE ARG 89 14.025 -23.865 9.126 1.00 32.33 ATOM 1490 HE ARG 89 14.770 -23.676 9.729 1.00 12.53 ATOM 1491 CZ ARG 89 14.144 -23.519 7.873 1.00 3.01 ATOM 1492 NH1 ARG 89 13.195 -23.762 7.028 1.00 63.32 ATOM 1493 HH11 ARG 89 12.364 -24.215 7.329 1.00 44.55 ATOM 1494 HH12 ARG 89 13.306 -23.493 6.072 1.00 1.14 ATOM 1495 NH2 ARG 89 15.220 -22.936 7.459 1.00 4.33 ATOM 1496 HH21 ARG 89 15.968 -22.749 8.096 1.00 41.13 ATOM 1497 HH22 ARG 89 15.301 -22.669 6.500 1.00 4.05 ATOM 1498 C ARG 89 14.345 -28.752 9.396 1.00 45.11 ATOM 1499 O ARG 89 14.824 -28.909 8.276 1.00 33.01 ATOM 1500 N GLU 90 14.619 -29.556 10.424 1.00 33.32 ATOM 1501 HN GLU 90 14.228 -29.351 11.299 1.00 38.39 ATOM 1502 CA GLU 90 15.476 -30.742 10.297 1.00 22.43 ATOM 1503 HA GLU 90 16.460 -30.414 9.989 1.00 74.54 ATOM 1504 CB GLU 90 15.588 -31.444 11.661 1.00 3.23 ATOM 1505 HB1 GLU 90 15.958 -32.450 11.509 1.00 38.39 ATOM 1506 HB2 GLU 90 14.603 -31.500 12.103 1.00 75.32 ATOM 1507 CG GLU 90 16.511 -30.743 12.651 1.00 63.31 ATOM 1508 HG1 GLU 90 16.334 -31.147 13.638 1.00 38.39 ATOM 1509 HG2 GLU 90 16.287 -29.685 12.652 1.00 15.23 ATOM 1510 CD GLU 90 17.977 -30.934 12.299 1.00 34.22 ATOM 1511 OE1 GLU 90 18.577 -30.031 11.675 1.00 73.20 ATOM 1512 OE2 GLU 90 18.533 -32.003 12.627 1.00 74.01 ATOM 1513 C GLU 90 14.929 -31.725 9.256 1.00 1.10 ATOM 1514 O GLU 90 15.685 -32.315 8.483 1.00 14.12 ATOM 1515 N ILE 91 13.610 -31.896 9.241 1.00 41.22 ATOM 1516 HN ILE 91 13.059 -31.381 9.865 1.00 38.39 ATOM 1517 CA ILE 91 12.964 -32.831 8.315 1.00 60.12 ATOM 1518 HA ILE 91 13.439 -33.796 8.432 1.00 2.43 ATOM 1519 CB ILE 91 11.458 -32.989 8.643 1.00 45.40 ATOM 1520 HB ILE 91 10.975 -32.035 8.474 1.00 53.13 ATOM 1521 CG1 ILE 91 11.265 -33.392 10.119 1.00 15.44 ATOM 1522 HG11 ILE 91 10.208 -33.497 10.322 1.00 38.39 ATOM 1523 HG12 ILE 91 11.668 -32.614 10.753 1.00 30.21 ATOM 1524 CG2 ILE 91 10.810 -34.013 7.711 1.00 0.34 ATOM 1525 HG21 ILE 91 9.759 -34.103 7.948 1.00 43.11 ATOM 1526 HG22 ILE 91 11.289 -34.974 7.838 1.00 43.02 ATOM 1527 HG23 ILE 91 10.920 -33.691 6.685 1.00 1.45 ATOM 1528 CD1 ILE 91 11.943 -34.693 10.506 1.00 5.10 ATOM 1529 HD11 ILE 91 11.724 -34.918 11.539 1.00 21.51 ATOM 1530 HD12 ILE 91 13.012 -34.595 10.379 1.00 12.21 ATOM 1531 HD13 ILE 91 11.577 -35.494 9.879 1.00 45.51 ATOM 1532 C ILE 91 13.127 -32.374 6.855 1.00 12.32 ATOM 1533 O ILE 91 13.636 -33.117 6.016 1.00 31.43 ATOM 1534 N THR 92 12.717 -31.138 6.565 1.00 43.15 ATOM 1535 HN THR 92 12.308 -30.597 7.271 1.00 38.39 ATOM 1536 CA THR 92 12.870 -30.563 5.216 1.00 50.43 ATOM 1537 HA THR 92 12.321 -31.189 4.525 1.00 52.53 ATOM 1538 CB THR 92 12.299 -29.125 5.130 1.00 62.12 ATOM 1539 HB THR 92 12.640 -28.678 4.205 1.00 52.34 ATOM 1540 OG1 THR 92 12.783 -28.329 6.224 1.00 24.25 ATOM 1541 HG1 THR 92 12.306 -28.560 7.028 1.00 34.33 ATOM 1542 CG2 THR 92 10.774 -29.132 5.124 1.00 4.24 ATOM 1543 HG21 THR 92 10.411 -29.646 6.003 1.00 73.40 ATOM 1544 HG22 THR 92 10.417 -29.637 4.236 1.00 11.01 ATOM 1545 HG23 THR 92 10.408 -28.114 5.126 1.00 4.23 ATOM 1546 C THR 92 14.341 -30.531 4.787 1.00 10.51 ATOM 1547 O THR 92 14.687 -30.940 3.676 1.00 24.22 ATOM 1548 N LYS 93 15.202 -30.048 5.679 1.00 52.20 ATOM 1549 HN LYS 93 14.859 -29.708 6.535 1.00 38.39 ATOM 1550 CA LYS 93 16.642 -29.987 5.417 1.00 4.33 ATOM 1551 HA LYS 93 16.792 -29.388 4.531 1.00 72.31 ATOM 1552 CB LYS 93 17.364 -29.322 6.601 1.00 2.01 ATOM 1553 HB1 LYS 93 17.488 -30.050 7.393 1.00 38.39 ATOM 1554 HB2 LYS 93 16.752 -28.510 6.971 1.00 32.21 ATOM 1555 CG LYS 93 18.737 -28.760 6.248 1.00 22.13 ATOM 1556 HG1 LYS 93 19.345 -29.551 5.829 1.00 38.39 ATOM 1557 HG2 LYS 93 19.206 -28.385 7.147 1.00 22.21 ATOM 1558 CD LYS 93 18.631 -27.624 5.233 1.00 33.53 ATOM 1559 HD1 LYS 93 18.028 -26.831 5.655 1.00 38.39 ATOM 1560 HD2 LYS 93 18.157 -27.997 4.337 1.00 15.45 ATOM 1561 CE LYS 93 19.998 -27.066 4.869 1.00 70.55 ATOM 1562 HE1 LYS 93 20.485 -26.720 5.771 1.00 38.39 ATOM 1563 HE2 LYS 93 19.866 -26.235 4.190 1.00 5.24 ATOM 1564 NZ LYS 93 20.860 -28.090 4.217 1.00 64.33 ATOM 1565 HZ1 LYS 93 20.905 -28.949 4.801 1.00 33.51 ATOM 1566 HZ2 LYS 93 21.823 -27.719 4.098 1.00 71.11 ATOM 1567 HZ3 LYS 93 20.478 -28.340 3.282 1.00 70.03 ATOM 1568 C LYS 93 17.217 -31.393 5.163 1.00 43.03 ATOM 1569 O LYS 93 18.084 -31.580 4.305 1.00 50.31 ATOM 1570 N GLY 94 16.712 -32.381 5.902 1.00 11.55 ATOM 1571 HN GLY 94 16.041 -32.170 6.587 1.00 38.39 ATOM 1572 CA GLY 94 17.139 -33.764 5.717 1.00 61.42 ATOM 1573 HA1 GLY 94 16.744 -34.362 6.525 1.00 38.39 ATOM 1574 HA2 GLY 94 18.218 -33.804 5.750 1.00 25.12 ATOM 1575 C GLY 94 16.666 -34.355 4.392 1.00 22.12 ATOM 1576 O GLY 94 17.328 -35.222 3.816 1.00 23.54 ATOM 1577 N LEU 95 15.515 -33.881 3.907 1.00 73.50 ATOM 1578 HN LEU 95 15.001 -33.240 4.444 1.00 38.39 ATOM 1579 CA LEU 95 14.987 -34.296 2.601 1.00 21.12 ATOM 1580 HA LEU 95 15.287 -35.322 2.430 1.00 51.51 ATOM 1581 CB LEU 95 13.451 -34.217 2.596 1.00 34.15 ATOM 1582 HB1 LEU 95 13.097 -34.592 1.645 1.00 38.39 ATOM 1583 HB2 LEU 95 13.168 -33.177 2.679 1.00 41.54 ATOM 1584 CG LEU 95 12.740 -34.997 3.715 1.00 24.03 ATOM 1585 HG LEU 95 13.006 -34.561 4.668 1.00 3.44 ATOM 1586 CD1 LEU 95 11.223 -34.896 3.570 1.00 54.31 ATOM 1587 HD11 LEU 95 10.746 -35.424 4.384 1.00 65.04 ATOM 1588 HD12 LEU 95 10.917 -35.335 2.631 1.00 72.01 ATOM 1589 HD13 LEU 95 10.925 -33.857 3.594 1.00 64.13 ATOM 1590 CD2 LEU 95 13.187 -36.454 3.729 1.00 4.33 ATOM 1591 HD21 LEU 95 14.246 -36.503 3.934 1.00 71.03 ATOM 1592 HD22 LEU 95 12.985 -36.905 2.767 1.00 62.44 ATOM 1593 HD23 LEU 95 12.647 -36.990 4.497 1.00 65.12 ATOM 1594 C LEU 95 15.558 -33.416 1.472 1.00 32.24 ATOM 1595 O LEU 95 15.180 -33.567 0.308 1.00 22.23 ATOM 1596 N ASN 96 16.457 -32.489 1.834 1.00 45.54 ATOM 1597 HN ASN 96 16.683 -32.404 2.784 1.00 38.39 ATOM 1598 CA ASN 96 17.122 -31.597 0.866 1.00 1.03 ATOM 1599 HA ASN 96 17.868 -31.032 1.408 1.00 23.22 ATOM 1600 CB ASN 96 17.829 -32.441 -0.212 1.00 50.41 ATOM 1601 HB1 ASN 96 17.079 -32.907 -0.836 1.00 38.39 ATOM 1602 HB2 ASN 96 18.409 -33.211 0.272 1.00 61.04 ATOM 1603 CG ASN 96 18.765 -31.639 -1.103 1.00 51.00 ATOM 1604 OD1 ASN 96 18.909 -31.928 -2.288 1.00 35.35 ATOM 1605 ND2 ASN 96 19.428 -30.643 -0.546 1.00 4.11 ATOM 1606 HD21 ASN 96 19.290 -30.464 0.404 1.00 23.21 ATOM 1607 HD22 ASN 96 20.037 -30.125 -1.112 1.00 74.13 ATOM 1608 C ASN 96 16.125 -30.600 0.228 1.00 14.20 ATOM 1609 O ASN 96 16.399 -29.997 -0.815 1.00 41.33 ATOM 1610 N LEU 97 14.982 -30.405 0.885 1.00 0.42 ATOM 1611 HN LEU 97 14.843 -30.867 1.739 1.00 38.39 ATOM 1612 CA LEU 97 13.929 -29.512 0.380 1.00 54.12 ATOM 1613 HA LEU 97 13.810 -29.705 -0.678 1.00 42.01 ATOM 1614 CB LEU 97 12.600 -29.812 1.090 1.00 60.13 ATOM 1615 HB1 LEU 97 11.843 -29.156 0.683 1.00 38.39 ATOM 1616 HB2 LEU 97 12.719 -29.586 2.143 1.00 5.12 ATOM 1617 CG LEU 97 12.101 -31.259 0.964 1.00 71.42 ATOM 1618 HG LEU 97 12.796 -31.910 1.477 1.00 55.51 ATOM 1619 CD1 LEU 97 10.740 -31.422 1.632 1.00 11.54 ATOM 1620 HD11 LEU 97 10.410 -32.446 1.533 1.00 34.34 ATOM 1621 HD12 LEU 97 10.024 -30.765 1.160 1.00 42.43 ATOM 1622 HD13 LEU 97 10.822 -31.171 2.681 1.00 25.24 ATOM 1623 CD2 LEU 97 12.046 -31.695 -0.498 1.00 52.24 ATOM 1624 HD21 LEU 97 11.667 -32.705 -0.558 1.00 2.12 ATOM 1625 HD22 LEU 97 13.039 -31.661 -0.921 1.00 72.44 ATOM 1626 HD23 LEU 97 11.395 -31.032 -1.052 1.00 25.33 ATOM 1627 C LEU 97 14.304 -28.032 0.576 1.00 51.24 ATOM 1628 O LEU 97 15.065 -27.693 1.484 1.00 71.32 ATOM 1629 N PRO 98 13.773 -27.128 -0.273 1.00 3.53 ATOM 1630 CA PRO 98 14.059 -25.684 -0.179 1.00 54.13 ATOM 1631 HA PRO 98 15.123 -25.499 -0.140 1.00 11.43 ATOM 1632 CB PRO 98 13.491 -25.128 -1.492 1.00 30.23 ATOM 1633 HB1 PRO 98 14.270 -25.099 -2.241 1.00 38.39 ATOM 1634 HB2 PRO 98 13.103 -24.131 -1.333 1.00 72.22 ATOM 1635 CG PRO 98 12.409 -26.083 -1.873 1.00 4.40 ATOM 1636 HG1 PRO 98 12.285 -26.089 -2.948 1.00 38.39 ATOM 1637 HG2 PRO 98 11.483 -25.801 -1.392 1.00 0.42 ATOM 1638 CD PRO 98 12.856 -27.440 -1.390 1.00 50.13 ATOM 1639 HD1 PRO 98 13.375 -27.970 -2.175 1.00 38.39 ATOM 1640 HD2 PRO 98 12.007 -28.017 -1.040 1.00 32.21 ATOM 1641 C PRO 98 13.385 -25.016 1.035 1.00 70.04 ATOM 1642 O PRO 98 12.198 -25.225 1.299 1.00 32.54 ATOM 1643 N THR 99 14.137 -24.183 1.755 1.00 43.45 ATOM 1644 HN THR 99 15.064 -24.014 1.471 1.00 38.39 ATOM 1645 CA THR 99 13.628 -23.521 2.970 1.00 32.21 ATOM 1646 HA THR 99 13.098 -24.268 3.546 1.00 43.05 ATOM 1647 CB THR 99 14.793 -22.988 3.848 1.00 1.50 ATOM 1648 HB THR 99 15.406 -23.829 4.143 1.00 0.04 ATOM 1649 OG1 THR 99 14.283 -22.354 5.034 1.00 54.45 ATOM 1650 HG1 THR 99 13.872 -21.514 4.793 1.00 4.15 ATOM 1651 CG2 THR 99 15.670 -22.003 3.077 1.00 72.23 ATOM 1652 HG21 THR 99 16.120 -22.505 2.233 1.00 14.30 ATOM 1653 HG22 THR 99 16.448 -21.628 3.726 1.00 61.13 ATOM 1654 HG23 THR 99 15.065 -21.178 2.727 1.00 5.23 ATOM 1655 C THR 99 12.647 -22.366 2.657 1.00 71.31 ATOM 1656 O THR 99 12.394 -21.499 3.499 1.00 15.14 ATOM 1657 N SER 100 12.083 -22.360 1.449 1.00 23.30 ATOM 1658 HN SER 100 12.359 -23.035 0.797 1.00 38.39 ATOM 1659 CA SER 100 11.079 -21.358 1.057 1.00 71.15 ATOM 1660 HA SER 100 11.152 -20.531 1.750 1.00 20.44 ATOM 1661 CB SER 100 11.354 -20.835 -0.361 1.00 1.13 ATOM 1662 HB1 SER 100 11.326 -21.658 -1.059 1.00 38.39 ATOM 1663 HB2 SER 100 12.329 -20.370 -0.392 1.00 1.01 ATOM 1664 OG SER 100 10.380 -19.876 -0.747 1.00 30.43 ATOM 1665 HG SER 100 9.509 -20.300 -0.773 1.00 14.43 ATOM 1666 C SER 100 9.651 -21.918 1.118 1.00 32.41 ATOM 1667 O SER 100 8.688 -21.187 0.879 1.00 53.41 ATOM 1668 N ILE 101 9.511 -23.207 1.428 1.00 33.34 ATOM 1669 HN ILE 101 10.309 -23.742 1.622 1.00 38.39 ATOM 1670 CA ILE 101 8.188 -23.844 1.489 1.00 11.54 ATOM 1671 HA ILE 101 7.626 -23.516 0.624 1.00 30.42 ATOM 1672 CB ILE 101 8.293 -25.391 1.434 1.00 23.13 ATOM 1673 HB ILE 101 8.758 -25.733 2.348 1.00 3.25 ATOM 1674 CG1 ILE 101 9.153 -25.834 0.237 1.00 33.15 ATOM 1675 HG11 ILE 101 10.109 -25.332 0.280 1.00 38.39 ATOM 1676 HG12 ILE 101 8.651 -25.561 -0.679 1.00 30.03 ATOM 1677 CG2 ILE 101 6.898 -26.016 1.348 1.00 55.12 ATOM 1678 HG21 ILE 101 6.408 -25.679 0.445 1.00 21.13 ATOM 1679 HG22 ILE 101 6.312 -25.716 2.206 1.00 13.11 ATOM 1680 HG23 ILE 101 6.983 -27.094 1.331 1.00 72.11 ATOM 1681 CD1 ILE 101 9.415 -27.326 0.188 1.00 52.13 ATOM 1682 HD11 ILE 101 10.048 -27.553 -0.656 1.00 24.03 ATOM 1683 HD12 ILE 101 8.479 -27.855 0.086 1.00 52.00 ATOM 1684 HD13 ILE 101 9.907 -27.636 1.100 1.00 54.24 ATOM 1685 C ILE 101 7.424 -23.425 2.758 1.00 63.50 ATOM 1686 O ILE 101 7.625 -23.987 3.837 1.00 63.41 ATOM 1687 N THR 102 6.559 -22.423 2.617 1.00 41.44 ATOM 1688 HN THR 102 6.459 -22.007 1.733 1.00 38.39 ATOM 1689 CA THR 102 5.771 -21.890 3.743 1.00 62.11 ATOM 1690 HA THR 102 6.465 -21.485 4.468 1.00 30.44 ATOM 1691 CB THR 102 4.840 -20.739 3.274 1.00 4.11 ATOM 1692 HB THR 102 4.120 -21.142 2.574 1.00 13.44 ATOM 1693 OG1 THR 102 5.609 -19.723 2.610 1.00 63.04 ATOM 1694 HG1 THR 102 5.682 -18.951 3.181 1.00 41.10 ATOM 1695 CG2 THR 102 4.083 -20.121 4.448 1.00 12.23 ATOM 1696 HG21 THR 102 4.787 -19.696 5.150 1.00 73.22 ATOM 1697 HG22 THR 102 3.498 -20.884 4.943 1.00 12.11 ATOM 1698 HG23 THR 102 3.424 -19.345 4.085 1.00 5.22 ATOM 1699 C THR 102 4.912 -22.970 4.429 1.00 50.41 ATOM 1700 O THR 102 4.751 -22.970 5.651 1.00 12.21 ATOM 1701 N SER 103 4.366 -23.892 3.637 1.00 14.04 ATOM 1702 HN SER 103 4.574 -23.879 2.679 1.00 38.39 ATOM 1703 CA SER 103 3.457 -24.932 4.155 1.00 21.10 ATOM 1704 HA SER 103 3.018 -24.563 5.073 1.00 13.24 ATOM 1705 CB SER 103 2.331 -25.197 3.146 1.00 13.33 ATOM 1706 HB1 SER 103 1.760 -24.291 3.001 1.00 38.39 ATOM 1707 HB2 SER 103 1.681 -25.972 3.528 1.00 54.34 ATOM 1708 OG SER 103 2.851 -25.615 1.892 1.00 2.04 ATOM 1709 HG SER 103 2.446 -26.451 1.639 1.00 15.41 ATOM 1710 C SER 103 4.187 -26.249 4.458 1.00 44.54 ATOM 1711 O SER 103 3.545 -27.268 4.722 1.00 72.14 ATOM 1712 N ALA 104 5.522 -26.219 4.441 1.00 13.15 ATOM 1713 HN ALA 104 5.973 -25.362 4.279 1.00 38.39 ATOM 1714 CA ALA 104 6.345 -27.426 4.647 1.00 44.52 ATOM 1715 HA ALA 104 6.237 -28.049 3.770 1.00 22.21 ATOM 1716 CB ALA 104 7.817 -27.043 4.770 1.00 30.03 ATOM 1717 HB1 ALA 104 7.956 -26.403 5.631 1.00 71.33 ATOM 1718 HB2 ALA 104 8.130 -26.517 3.879 1.00 14.50 ATOM 1719 HB3 ALA 104 8.415 -27.936 4.885 1.00 24.11 ATOM 1720 C ALA 104 5.912 -28.235 5.881 1.00 0.34 ATOM 1721 O ALA 104 5.486 -29.386 5.763 1.00 65.24 ATOM 1722 N ALA 105 6.019 -27.620 7.058 1.00 22.31 ATOM 1723 HN ALA 105 6.344 -26.698 7.079 1.00 38.39 ATOM 1724 CA ALA 105 5.673 -28.279 8.324 1.00 43.54 ATOM 1725 HA ALA 105 6.376 -29.084 8.482 1.00 43.54 ATOM 1726 CB ALA 105 5.825 -27.289 9.473 1.00 11.30 ATOM 1727 HB1 ALA 105 5.143 -26.462 9.329 1.00 74.40 ATOM 1728 HB2 ALA 105 6.839 -26.919 9.500 1.00 44.42 ATOM 1729 HB3 ALA 105 5.598 -27.782 10.408 1.00 41.24 ATOM 1730 C ALA 105 4.247 -28.856 8.310 1.00 33.24 ATOM 1731 O ALA 105 4.012 -29.982 8.756 1.00 63.33 ATOM 1732 N PHE 106 3.305 -28.081 7.781 1.00 33.11 ATOM 1733 HN PHE 106 3.567 -27.229 7.377 1.00 38.39 ATOM 1734 CA PHE 106 1.892 -28.466 7.776 1.00 23.34 ATOM 1735 HA PHE 106 1.618 -28.715 8.791 1.00 52.11 ATOM 1736 CB PHE 106 1.031 -27.283 7.308 1.00 21.12 ATOM 1737 HB1 PHE 106 1.257 -27.069 6.271 1.00 38.39 ATOM 1738 HB2 PHE 106 1.268 -26.414 7.905 1.00 64.11 ATOM 1739 CG PHE 106 -0.450 -27.528 7.421 1.00 12.44 ATOM 1740 CD1 PHE 106 -1.244 -27.627 6.287 1.00 61.15 ATOM 1741 HD1 PHE 106 -0.790 -27.523 5.311 1.00 41.31 ATOM 1742 CD2 PHE 106 -1.047 -27.665 8.667 1.00 13.04 ATOM 1743 HD2 PHE 106 -0.438 -27.590 9.559 1.00 4.00 ATOM 1744 CE1 PHE 106 -2.601 -27.856 6.393 1.00 12.14 ATOM 1745 HE1 PHE 106 -3.208 -27.930 5.502 1.00 43.11 ATOM 1746 CE2 PHE 106 -2.404 -27.894 8.777 1.00 52.45 ATOM 1747 HE2 PHE 106 -2.857 -27.998 9.753 1.00 44.52 ATOM 1748 CZ PHE 106 -3.182 -27.990 7.639 1.00 44.13 ATOM 1749 HZ PHE 106 -4.244 -28.169 7.723 1.00 74.44 ATOM 1750 C PHE 106 1.640 -29.696 6.884 1.00 34.00 ATOM 1751 O PHE 106 0.978 -30.656 7.298 1.00 20.23 ATOM 1752 N THR 107 2.171 -29.663 5.661 1.00 42.33 ATOM 1753 HN THR 107 2.690 -28.875 5.388 1.00 38.39 ATOM 1754 CA THR 107 2.000 -30.769 4.707 1.00 71.32 ATOM 1755 HA THR 107 0.939 -30.964 4.619 1.00 42.12 ATOM 1756 CB THR 107 2.540 -30.408 3.298 1.00 2.51 ATOM 1757 HB THR 107 3.592 -30.165 3.381 1.00 42.13 ATOM 1758 OG1 THR 107 1.841 -29.264 2.777 1.00 53.14 ATOM 1759 HG1 THR 107 1.303 -29.532 2.024 1.00 52.14 ATOM 1760 CG2 THR 107 2.387 -31.579 2.326 1.00 71.23 ATOM 1761 HG21 THR 107 1.341 -31.836 2.231 1.00 43.15 ATOM 1762 HG22 THR 107 2.934 -32.433 2.699 1.00 54.20 ATOM 1763 HG23 THR 107 2.777 -31.299 1.358 1.00 63.12 ATOM 1764 C THR 107 2.691 -32.049 5.198 1.00 63.31 ATOM 1765 O THR 107 2.068 -33.108 5.260 1.00 2.22 ATOM 1766 N LEU 108 3.972 -31.946 5.562 1.00 35.21 ATOM 1767 HN LEU 108 4.416 -31.069 5.511 1.00 38.39 ATOM 1768 CA LEU 108 4.736 -33.107 6.048 1.00 71.21 ATOM 1769 HA LEU 108 4.821 -33.808 5.230 1.00 54.03 ATOM 1770 CB LEU 108 6.145 -32.678 6.481 1.00 21.44 ATOM 1771 HB1 LEU 108 6.646 -33.536 6.907 1.00 38.39 ATOM 1772 HB2 LEU 108 6.046 -31.925 7.252 1.00 50.34 ATOM 1773 CG LEU 108 7.034 -32.108 5.363 1.00 42.15 ATOM 1774 HG LEU 108 6.560 -31.229 4.952 1.00 75.44 ATOM 1775 CD1 LEU 108 8.392 -31.687 5.918 1.00 44.14 ATOM 1776 HD11 LEU 108 8.250 -30.955 6.700 1.00 64.12 ATOM 1777 HD12 LEU 108 8.985 -31.253 5.126 1.00 23.33 ATOM 1778 HD13 LEU 108 8.904 -32.549 6.319 1.00 53.52 ATOM 1779 CD2 LEU 108 7.204 -33.123 4.234 1.00 54.22 ATOM 1780 HD21 LEU 108 6.237 -33.362 3.817 1.00 3.21 ATOM 1781 HD22 LEU 108 7.661 -34.023 4.621 1.00 72.03 ATOM 1782 HD23 LEU 108 7.833 -32.703 3.461 1.00 74.30 ATOM 1783 C LEU 108 4.022 -33.801 7.219 1.00 14.45 ATOM 1784 O LEU 108 3.873 -35.026 7.237 1.00 33.10 ATOM 1785 N ARG 109 3.580 -33.001 8.189 1.00 63.52 ATOM 1786 HN ARG 109 3.781 -32.041 8.138 1.00 38.39 ATOM 1787 CA ARG 109 2.817 -33.507 9.335 1.00 3.42 ATOM 1788 HA ARG 109 3.467 -34.149 9.910 1.00 62.13 ATOM 1789 CB ARG 109 2.363 -32.333 10.216 1.00 4.33 ATOM 1790 HB1 ARG 109 1.779 -31.651 9.614 1.00 38.39 ATOM 1791 HB2 ARG 109 3.240 -31.812 10.576 1.00 25.34 ATOM 1792 CG ARG 109 1.526 -32.748 11.428 1.00 33.25 ATOM 1793 HG1 ARG 109 2.162 -32.767 12.302 1.00 38.39 ATOM 1794 HG2 ARG 109 1.124 -33.736 11.257 1.00 24.30 ATOM 1795 CD ARG 109 0.369 -31.785 11.680 1.00 75.12 ATOM 1796 HD1 ARG 109 0.769 -30.792 11.834 1.00 38.39 ATOM 1797 HD2 ARG 109 -0.157 -32.101 12.571 1.00 44.42 ATOM 1798 NE ARG 109 -0.569 -31.753 10.552 1.00 22.01 ATOM 1799 HE ARG 109 -0.192 -31.690 9.651 1.00 62.33 ATOM 1800 CZ ARG 109 -1.871 -31.813 10.671 1.00 62.22 ATOM 1801 NH1 ARG 109 -2.429 -31.888 11.837 1.00 43.55 ATOM 1802 HH11 ARG 109 -1.871 -31.897 12.657 1.00 22.52 ATOM 1803 HH12 ARG 109 -3.426 -31.950 11.904 1.00 74.32 ATOM 1804 NH2 ARG 109 -2.619 -31.803 9.619 1.00 62.32 ATOM 1805 HH21 ARG 109 -2.205 -31.750 8.712 1.00 1.21 ATOM 1806 HH22 ARG 109 -3.612 -31.852 9.716 1.00 2.22 ATOM 1807 C ARG 109 1.584 -34.311 8.885 1.00 62.23 ATOM 1808 O ARG 109 1.337 -35.416 9.368 1.00 42.50 ATOM 1809 N THR 110 0.819 -33.742 7.956 1.00 33.21 ATOM 1810 HN THR 110 1.109 -32.891 7.561 1.00 38.39 ATOM 1811 CA THR 110 -0.437 -34.349 7.493 1.00 55.15 ATOM 1812 HA THR 110 -1.036 -34.575 8.366 1.00 23.12 ATOM 1813 CB THR 110 -1.234 -33.363 6.602 1.00 74.44 ATOM 1814 HB THR 110 -0.680 -33.203 5.686 1.00 4.25 ATOM 1815 OG1 THR 110 -1.387 -32.101 7.280 1.00 74.14 ATOM 1816 HG1 THR 110 -0.812 -31.443 6.864 1.00 43.35 ATOM 1817 CG2 THR 110 -2.610 -33.923 6.248 1.00 51.32 ATOM 1818 HG21 THR 110 -3.144 -33.210 5.637 1.00 12.01 ATOM 1819 HG22 THR 110 -3.170 -34.110 7.153 1.00 21.21 ATOM 1820 HG23 THR 110 -2.493 -34.847 5.701 1.00 55.11 ATOM 1821 C THR 110 -0.192 -35.648 6.708 1.00 3.31 ATOM 1822 O THR 110 -0.839 -36.669 6.953 1.00 20.33 ATOM 1823 N GLN 111 0.753 -35.606 5.771 1.00 25.33 ATOM 1824 HN GLN 111 1.262 -34.776 5.645 1.00 38.39 ATOM 1825 CA GLN 111 1.057 -36.767 4.926 1.00 61.30 ATOM 1826 HA GLN 111 0.126 -37.101 4.488 1.00 71.11 ATOM 1827 CB GLN 111 2.015 -36.367 3.795 1.00 62.12 ATOM 1828 HB1 GLN 111 2.179 -37.223 3.154 1.00 38.39 ATOM 1829 HB2 GLN 111 2.959 -36.066 4.228 1.00 61.22 ATOM 1830 CG GLN 111 1.494 -35.216 2.935 1.00 2.23 ATOM 1831 HG1 GLN 111 2.207 -35.023 2.146 1.00 38.39 ATOM 1832 HG2 GLN 111 1.406 -34.335 3.555 1.00 1.32 ATOM 1833 CD GLN 111 0.135 -35.497 2.302 1.00 11.32 ATOM 1834 OE1 GLN 111 -0.666 -34.594 2.104 1.00 52.03 ATOM 1835 NE2 GLN 111 -0.126 -36.744 1.953 1.00 33.31 ATOM 1836 HE21 GLN 111 0.556 -37.422 2.111 1.00 23.42 ATOM 1837 HE22 GLN 111 -0.998 -36.931 1.551 1.00 43.50 ATOM 1838 C GLN 111 1.647 -37.924 5.748 1.00 11.42 ATOM 1839 O GLN 111 1.302 -39.090 5.533 1.00 65.54 ATOM 1840 N TYR 112 2.533 -37.600 6.691 1.00 63.32 ATOM 1841 HN TYR 112 2.831 -36.667 6.769 1.00 38.39 ATOM 1842 CA TYR 112 3.077 -38.605 7.611 1.00 44.35 ATOM 1843 HA TYR 112 3.560 -39.373 7.022 1.00 44.02 ATOM 1844 CB TYR 112 4.108 -37.966 8.557 1.00 24.44 ATOM 1845 HB1 TYR 112 3.598 -37.293 9.232 1.00 38.39 ATOM 1846 HB2 TYR 112 4.820 -37.403 7.972 1.00 34.01 ATOM 1847 CG TYR 112 4.886 -38.969 9.397 1.00 45.42 ATOM 1848 CD1 TYR 112 4.307 -39.597 10.499 1.00 24.24 ATOM 1849 HD1 TYR 112 3.287 -39.363 10.762 1.00 2.12 ATOM 1850 CD2 TYR 112 6.200 -39.290 9.082 1.00 2.44 ATOM 1851 HD2 TYR 112 6.668 -38.812 8.233 1.00 55.21 ATOM 1852 CE1 TYR 112 5.017 -40.511 11.256 1.00 22.50 ATOM 1853 HE1 TYR 112 4.551 -40.986 12.107 1.00 13.43 ATOM 1854 CE2 TYR 112 6.913 -40.200 9.834 1.00 35.13 ATOM 1855 HE2 TYR 112 7.934 -40.433 9.570 1.00 44.30 ATOM 1856 CZ TYR 112 6.319 -40.810 10.917 1.00 41.34 ATOM 1857 OH TYR 112 7.030 -41.721 11.663 1.00 43.24 ATOM 1858 HH TYR 112 7.890 -41.356 11.886 1.00 54.45 ATOM 1859 C TYR 112 1.942 -39.238 8.428 1.00 45.45 ATOM 1860 O TYR 112 1.847 -40.461 8.544 1.00 71.11 ATOM 1861 N MET 113 1.074 -38.382 8.968 1.00 23.11 ATOM 1862 HN MET 113 1.188 -37.422 8.791 1.00 38.39 ATOM 1863 CA MET 113 -0.040 -38.812 9.820 1.00 33.53 ATOM 1864 HA MET 113 0.382 -39.300 10.686 1.00 4.04 ATOM 1865 CB MET 113 -0.837 -37.589 10.287 1.00 71.22 ATOM 1866 HB1 MET 113 -1.329 -37.145 9.432 1.00 38.39 ATOM 1867 HB2 MET 113 -0.151 -36.866 10.706 1.00 61.13 ATOM 1868 CG MET 113 -1.895 -37.901 11.336 1.00 42.54 ATOM 1869 HG1 MET 113 -1.416 -38.343 12.199 1.00 38.39 ATOM 1870 HG2 MET 113 -2.604 -38.602 10.920 1.00 31.13 ATOM 1871 SD MET 113 -2.789 -36.428 11.865 1.00 31.42 ATOM 1872 CE MET 113 -1.429 -35.383 12.384 1.00 71.23 ATOM 1873 HE1 MET 113 -0.767 -35.210 11.548 1.00 71.14 ATOM 1874 HE2 MET 113 -0.884 -35.869 13.180 1.00 15.23 ATOM 1875 HE3 MET 113 -1.818 -34.439 12.738 1.00 14.12 ATOM 1876 C MET 113 -0.973 -39.803 9.102 1.00 5.31 ATOM 1877 O MET 113 -1.595 -40.656 9.736 1.00 25.34 ATOM 1878 N LYS 114 -1.086 -39.678 7.784 1.00 62.44 ATOM 1879 HN LYS 114 -0.610 -38.949 7.328 1.00 38.39 ATOM 1880 CA LYS 114 -1.925 -40.592 7.000 1.00 24.25 ATOM 1881 HA LYS 114 -2.817 -40.795 7.577 1.00 44.54 ATOM 1882 CB LYS 114 -2.342 -39.944 5.670 1.00 42.40 ATOM 1883 HB1 LYS 114 -2.832 -40.691 5.060 1.00 38.39 ATOM 1884 HB2 LYS 114 -1.452 -39.608 5.155 1.00 31.41 ATOM 1885 CG LYS 114 -3.286 -38.754 5.814 1.00 12.44 ATOM 1886 HG1 LYS 114 -2.754 -37.941 6.285 1.00 38.39 ATOM 1887 HG2 LYS 114 -4.126 -39.043 6.431 1.00 73.24 ATOM 1888 CD LYS 114 -3.810 -38.284 4.456 1.00 70.31 ATOM 1889 HD1 LYS 114 -2.976 -37.958 3.849 1.00 38.39 ATOM 1890 HD2 LYS 114 -4.488 -37.456 4.611 1.00 20.31 ATOM 1891 CE LYS 114 -4.554 -39.400 3.726 1.00 34.35 ATOM 1892 HE1 LYS 114 -5.387 -39.719 4.337 1.00 38.39 ATOM 1893 HE2 LYS 114 -3.879 -40.232 3.582 1.00 44.22 ATOM 1894 NZ LYS 114 -5.068 -38.968 2.400 1.00 0.05 ATOM 1895 HZ1 LYS 114 -4.291 -38.624 1.806 1.00 72.12 ATOM 1896 HZ2 LYS 114 -5.766 -38.206 2.517 1.00 43.14 ATOM 1897 HZ3 LYS 114 -5.528 -39.769 1.920 1.00 23.22 ATOM 1898 C LYS 114 -1.221 -41.927 6.705 1.00 53.32 ATOM 1899 O LYS 114 -1.776 -42.997 6.954 1.00 13.34 ATOM 1900 N TYR 115 0.000 -41.862 6.174 1.00 70.43 ATOM 1901 HN TYR 115 0.463 -40.997 6.142 1.00 38.39 ATOM 1902 CA TYR 115 0.665 -43.059 5.634 1.00 33.31 ATOM 1903 HA TYR 115 -0.106 -43.773 5.378 1.00 31.04 ATOM 1904 CB TYR 115 1.434 -42.693 4.351 1.00 12.25 ATOM 1905 HB1 TYR 115 1.715 -43.603 3.838 1.00 38.39 ATOM 1906 HB2 TYR 115 2.330 -42.153 4.621 1.00 71.23 ATOM 1907 CG TYR 115 0.646 -41.831 3.374 1.00 0.25 ATOM 1908 CD1 TYR 115 -0.670 -42.141 3.034 1.00 23.23 ATOM 1909 HD1 TYR 115 -1.134 -43.010 3.473 1.00 34.13 ATOM 1910 CD2 TYR 115 1.218 -40.703 2.793 1.00 52.04 ATOM 1911 HD2 TYR 115 2.239 -40.446 3.040 1.00 42.33 ATOM 1912 CE1 TYR 115 -1.386 -41.355 2.151 1.00 5.01 ATOM 1913 HE1 TYR 115 -2.405 -41.614 1.902 1.00 75.40 ATOM 1914 CE2 TYR 115 0.507 -39.915 1.908 1.00 14.01 ATOM 1915 HE2 TYR 115 0.971 -39.044 1.470 1.00 73.21 ATOM 1916 CZ TYR 115 -0.794 -40.244 1.593 1.00 34.20 ATOM 1917 OH TYR 115 -1.507 -39.456 0.717 1.00 20.42 ATOM 1918 HH TYR 115 -1.016 -39.363 -0.106 1.00 30.32 ATOM 1919 C TYR 115 1.629 -43.721 6.638 1.00 15.35 ATOM 1920 O TYR 115 1.555 -44.926 6.885 1.00 52.24 ATOM 1921 N LEU 116 2.523 -42.929 7.222 1.00 41.13 ATOM 1922 HN LEU 116 2.440 -41.961 7.115 1.00 38.39 ATOM 1923 CA LEU 116 3.626 -43.468 8.033 1.00 14.24 ATOM 1924 HA LEU 116 3.868 -44.452 7.654 1.00 24.15 ATOM 1925 CB LEU 116 4.858 -42.564 7.869 1.00 22.31 ATOM 1926 HB1 LEU 116 5.679 -43.008 8.414 1.00 38.39 ATOM 1927 HB2 LEU 116 4.632 -41.603 8.311 1.00 32.34 ATOM 1928 CG LEU 116 5.312 -42.335 6.414 1.00 20.43 ATOM 1929 HG LEU 116 4.490 -41.914 5.851 1.00 33.21 ATOM 1930 CD1 LEU 116 6.472 -41.347 6.349 1.00 61.13 ATOM 1931 HD11 LEU 116 7.309 -41.733 6.913 1.00 51.01 ATOM 1932 HD12 LEU 116 6.163 -40.400 6.768 1.00 12.14 ATOM 1933 HD13 LEU 116 6.767 -41.203 5.319 1.00 34.32 ATOM 1934 CD2 LEU 116 5.700 -43.655 5.760 1.00 70.12 ATOM 1935 HD21 LEU 116 4.846 -44.315 5.747 1.00 71.05 ATOM 1936 HD22 LEU 116 6.502 -44.115 6.320 1.00 22.23 ATOM 1937 HD23 LEU 116 6.028 -43.473 4.747 1.00 54.22 ATOM 1938 C LEU 116 3.256 -43.593 9.523 1.00 53.14 ATOM 1939 O LEU 116 3.882 -44.349 10.269 1.00 23.12 ATOM 1940 N TYR 117 2.226 -42.862 9.939 1.00 14.12 ATOM 1941 HN TYR 117 1.718 -42.347 9.276 1.00 38.39 ATOM 1942 CA TYR 117 1.814 -42.810 11.353 1.00 11.11 ATOM 1943 HA TYR 117 2.666 -42.451 11.915 1.00 13.31 ATOM 1944 CB TYR 117 0.667 -41.801 11.527 1.00 24.42 ATOM 1945 HB1 TYR 117 -0.071 -41.972 10.755 1.00 38.39 ATOM 1946 HB2 TYR 117 1.064 -40.803 11.414 1.00 31.44 ATOM 1947 CG TYR 117 -0.039 -41.865 12.872 1.00 1.24 ATOM 1948 CD1 TYR 117 -1.319 -42.401 12.979 1.00 73.10 ATOM 1949 HD1 TYR 117 -1.807 -42.779 12.092 1.00 63.10 ATOM 1950 CD2 TYR 117 0.570 -41.387 14.029 1.00 21.22 ATOM 1951 HD2 TYR 117 1.563 -40.964 13.966 1.00 13.41 ATOM 1952 CE1 TYR 117 -1.967 -42.462 14.196 1.00 73.44 ATOM 1953 HE1 TYR 117 -2.961 -42.883 14.257 1.00 62.30 ATOM 1954 CE2 TYR 117 -0.075 -41.446 15.251 1.00 21.14 ATOM 1955 HE2 TYR 117 0.415 -41.073 16.138 1.00 2.50 ATOM 1956 CZ TYR 117 -1.343 -41.984 15.327 1.00 21.24 ATOM 1957 OH TYR 117 -1.991 -42.047 16.539 1.00 11.20 ATOM 1958 HH TYR 117 -2.395 -42.916 16.639 1.00 24.52 ATOM 1959 C TYR 117 1.420 -44.193 11.922 1.00 14.43 ATOM 1960 O TYR 117 1.901 -44.576 12.994 1.00 13.00 ATOM 1961 N PRO 118 0.543 -44.971 11.237 1.00 62.43 ATOM 1962 CA PRO 118 0.145 -46.302 11.728 1.00 12.53 ATOM 1963 HA PRO 118 -0.395 -46.227 12.663 1.00 24.33 ATOM 1964 CB PRO 118 -0.796 -46.834 10.629 1.00 21.43 ATOM 1965 HB1 PRO 118 -1.822 -46.725 10.948 1.00 38.39 ATOM 1966 HB2 PRO 118 -0.587 -47.879 10.441 1.00 60.01 ATOM 1967 CG PRO 118 -0.512 -45.992 9.428 1.00 33.10 ATOM 1968 HG1 PRO 118 -1.397 -45.911 8.813 1.00 38.39 ATOM 1969 HG2 PRO 118 0.301 -46.424 8.859 1.00 13.42 ATOM 1970 CD PRO 118 -0.119 -44.641 9.959 1.00 4.23 ATOM 1971 HD1 PRO 118 -0.993 -44.027 10.124 1.00 38.39 ATOM 1972 HD2 PRO 118 0.566 -44.153 9.281 1.00 34.22 ATOM 1973 C PRO 118 1.352 -47.235 11.922 1.00 33.34 ATOM 1974 O PRO 118 1.368 -48.072 12.828 1.00 64.04 ATOM 1975 N TYR 119 2.370 -47.067 11.077 1.00 24.03 ATOM 1976 HN TYR 119 2.316 -46.354 10.406 1.00 38.39 ATOM 1977 CA TYR 119 3.572 -47.902 11.129 1.00 50.04 ATOM 1978 HA TYR 119 3.255 -48.929 11.244 1.00 21.41 ATOM 1979 CB TYR 119 4.360 -47.769 9.818 1.00 71.53 ATOM 1980 HB1 TYR 119 4.960 -46.869 9.856 1.00 38.39 ATOM 1981 HB2 TYR 119 3.664 -47.690 8.996 1.00 53.43 ATOM 1982 CG TYR 119 5.285 -48.939 9.532 1.00 73.14 ATOM 1983 CD1 TYR 119 6.657 -48.851 9.753 1.00 4.43 ATOM 1984 HD1 TYR 119 7.070 -47.931 10.143 1.00 31.53 ATOM 1985 CD2 TYR 119 4.778 -50.134 9.029 1.00 72.31 ATOM 1986 HD2 TYR 119 3.715 -50.220 8.851 1.00 0.24 ATOM 1987 CE1 TYR 119 7.493 -49.920 9.483 1.00 33.43 ATOM 1988 HE1 TYR 119 8.555 -49.833 9.662 1.00 24.00 ATOM 1989 CE2 TYR 119 5.607 -51.205 8.759 1.00 53.55 ATOM 1990 HE2 TYR 119 5.191 -52.124 8.368 1.00 75.30 ATOM 1991 CZ TYR 119 6.962 -51.093 8.984 1.00 72.14 ATOM 1992 OH TYR 119 7.787 -52.163 8.718 1.00 11.41 ATOM 1993 HH TYR 119 7.401 -52.689 8.001 1.00 61.43 ATOM 1994 C TYR 119 4.458 -47.524 12.329 1.00 2.31 ATOM 1995 O TYR 119 4.936 -48.398 13.053 1.00 5.33 ATOM 1996 N GLU 120 4.664 -46.220 12.536 1.00 15.43 ATOM 1997 HN GLU 120 4.273 -45.572 11.911 1.00 38.39 ATOM 1998 CA GLU 120 5.473 -45.724 13.663 1.00 31.24 ATOM 1999 HA GLU 120 6.462 -46.150 13.568 1.00 53.12 ATOM 2000 CB GLU 120 5.584 -44.183 13.607 1.00 62.44 ATOM 2001 HB1 GLU 120 4.600 -43.761 13.764 1.00 38.39 ATOM 2002 HB2 GLU 120 5.924 -43.903 12.620 1.00 73.41 ATOM 2003 CG GLU 120 6.548 -43.561 14.638 1.00 72.53 ATOM 2004 HG1 GLU 120 7.124 -42.790 14.143 1.00 38.39 ATOM 2005 HG2 GLU 120 7.222 -44.330 14.986 1.00 43.51 ATOM 2006 CD GLU 120 5.857 -42.944 15.860 1.00 33.34 ATOM 2007 OE1 GLU 120 5.453 -43.701 16.771 1.00 52.04 ATOM 2008 OE2 GLU 120 5.753 -41.695 15.928 1.00 10.12 ATOM 2009 C GLU 120 4.874 -46.165 15.007 1.00 34.33 ATOM 2010 O GLU 120 5.550 -46.794 15.827 1.00 44.33 ATOM 2011 N CYS 121 3.596 -45.846 15.213 1.00 65.13 ATOM 2012 HN CYS 121 3.106 -45.376 14.503 1.00 38.39 ATOM 2013 CA CYS 121 2.904 -46.156 16.472 1.00 75.12 ATOM 2014 HA CYS 121 3.481 -45.720 17.275 1.00 15.40 ATOM 2015 CB CYS 121 1.506 -45.518 16.474 1.00 31.12 ATOM 2016 HB1 CYS 121 0.905 -45.980 15.703 1.00 38.39 ATOM 2017 HB2 CYS 121 1.600 -44.462 16.261 1.00 73.54 ATOM 2018 SG CYS 121 0.610 -45.675 18.038 1.00 54.52 ATOM 2019 HG CYS 121 1.200 -44.883 18.926 1.00 2.42 ATOM 2020 C CYS 121 2.793 -47.674 16.719 1.00 32.15 ATOM 2021 O CYS 121 2.775 -48.124 17.865 1.00 64.01 ATOM 2022 N GLU 122 2.716 -48.458 15.643 1.00 75.20 ATOM 2023 HN GLU 122 2.706 -48.044 14.753 1.00 38.39 ATOM 2024 CA GLU 122 2.634 -49.922 15.752 1.00 65.13 ATOM 2025 HA GLU 122 1.981 -50.152 16.584 1.00 31.34 ATOM 2026 CB GLU 122 2.016 -50.505 14.469 1.00 1.24 ATOM 2027 HB1 GLU 122 2.552 -50.108 13.618 1.00 38.39 ATOM 2028 HB2 GLU 122 0.985 -50.187 14.407 1.00 3.51 ATOM 2029 CG GLU 122 2.045 -52.030 14.378 1.00 44.42 ATOM 2030 HG1 GLU 122 3.077 -52.351 14.342 1.00 38.39 ATOM 2031 HG2 GLU 122 1.550 -52.331 13.466 1.00 33.41 ATOM 2032 CD GLU 122 1.360 -52.718 15.548 1.00 21.14 ATOM 2033 OE1 GLU 122 0.116 -52.640 15.651 1.00 72.00 ATOM 2034 OE2 GLU 122 2.060 -53.360 16.359 1.00 2.02 ATOM 2035 C GLU 122 4.011 -50.563 16.020 1.00 4.00 ATOM 2036 O GLU 122 4.204 -51.244 17.027 1.00 12.14 ATOM 2037 N LYS 123 4.961 -50.341 15.115 1.00 13.31 ATOM 2038 HN LYS 123 4.775 -49.728 14.373 1.00 38.39 ATOM 2039 CA LYS 123 6.282 -50.986 15.196 1.00 14.43 ATOM 2040 HA LYS 123 6.116 -52.049 15.301 1.00 34.23 ATOM 2041 CB LYS 123 7.064 -50.742 13.900 1.00 31.11 ATOM 2042 HB1 LYS 123 8.067 -51.133 14.015 1.00 38.39 ATOM 2043 HB2 LYS 123 7.121 -49.677 13.720 1.00 71.41 ATOM 2044 CG LYS 123 6.431 -51.401 12.681 1.00 22.05 ATOM 2045 HG1 LYS 123 7.011 -51.146 11.806 1.00 38.39 ATOM 2046 HG2 LYS 123 5.422 -51.028 12.567 1.00 33.45 ATOM 2047 CD LYS 123 6.386 -52.921 12.825 1.00 54.11 ATOM 2048 HD1 LYS 123 5.849 -53.173 13.729 1.00 38.39 ATOM 2049 HD2 LYS 123 7.397 -53.296 12.894 1.00 24.10 ATOM 2050 CE LYS 123 5.697 -53.586 11.642 1.00 70.30 ATOM 2051 HE1 LYS 123 6.205 -53.299 10.733 1.00 38.39 ATOM 2052 HE2 LYS 123 4.671 -53.250 11.600 1.00 22.41 ATOM 2053 NZ LYS 123 5.712 -55.067 11.754 1.00 13.33 ATOM 2054 HZ1 LYS 123 6.692 -55.415 11.792 1.00 25.11 ATOM 2055 HZ2 LYS 123 5.237 -55.492 10.933 1.00 34.25 ATOM 2056 HZ3 LYS 123 5.217 -55.366 12.616 1.00 42.34 ATOM 2057 C LYS 123 7.103 -50.509 16.401 1.00 4.53 ATOM 2058 O LYS 123 7.844 -51.288 17.001 1.00 51.35 ATOM 2059 N ARG 124 6.981 -49.233 16.746 1.00 33.43 ATOM 2060 HN ARG 124 6.379 -48.653 16.228 1.00 38.39 ATOM 2061 CA ARG 124 7.722 -48.667 17.880 1.00 54.04 ATOM 2062 HA ARG 124 8.314 -49.458 18.319 1.00 24.44 ATOM 2063 CB ARG 124 8.666 -47.555 17.395 1.00 15.25 ATOM 2064 HB1 ARG 124 9.053 -47.026 18.256 1.00 38.39 ATOM 2065 HB2 ARG 124 8.097 -46.861 16.792 1.00 54.41 ATOM 2066 CG ARG 124 9.855 -48.040 16.560 1.00 22.32 ATOM 2067 HG1 ARG 124 10.373 -47.178 16.160 1.00 38.39 ATOM 2068 HG2 ARG 124 9.485 -48.644 15.744 1.00 24.30 ATOM 2069 CD ARG 124 10.844 -48.875 17.378 1.00 61.52 ATOM 2070 HD1 ARG 124 11.024 -48.376 18.320 1.00 38.39 ATOM 2071 HD2 ARG 124 11.772 -48.944 16.831 1.00 30.12 ATOM 2072 NE ARG 124 10.357 -50.231 17.641 1.00 61.31 ATOM 2073 HE ARG 124 10.031 -50.749 16.878 1.00 40.51 ATOM 2074 CZ ARG 124 10.364 -50.810 18.812 1.00 1.42 ATOM 2075 NH1 ARG 124 10.699 -50.156 19.876 1.00 1.43 ATOM 2076 HH11 ARG 124 10.955 -49.193 19.814 1.00 41.00 ATOM 2077 HH12 ARG 124 10.695 -50.619 20.762 1.00 73.54 ATOM 2078 NH2 ARG 124 9.995 -52.039 18.920 1.00 40.53 ATOM 2079 HH21 ARG 124 9.706 -52.544 18.110 1.00 4.32 ATOM 2080 HH22 ARG 124 9.995 -52.482 19.815 1.00 44.54 ATOM 2081 C ARG 124 6.780 -48.117 18.956 1.00 2.11 ATOM 2082 O ARG 124 6.765 -48.593 20.094 1.00 55.30 ATOM 2083 N GLY 125 5.986 -47.121 18.587 1.00 62.44 ATOM 2084 HN GLY 125 5.963 -46.849 17.646 1.00 38.39 ATOM 2085 CA GLY 125 5.153 -46.429 19.558 1.00 65.14 ATOM 2086 HA1 GLY 125 4.878 -47.117 20.345 1.00 38.39 ATOM 2087 HA2 GLY 125 4.255 -46.082 19.066 1.00 44.42 ATOM 2088 C GLY 125 5.876 -45.237 20.170 1.00 24.42 ATOM 2089 O GLY 125 5.949 -45.097 21.393 1.00 32.35 ATOM 2090 N LEU 126 6.438 -44.391 19.312 1.00 54.43 ATOM 2091 HN LEU 126 6.340 -44.555 18.347 1.00 38.39 ATOM 2092 CA LEU 126 7.176 -43.206 19.756 1.00 33.23 ATOM 2093 HA LEU 126 7.757 -43.480 20.626 1.00 14.11 ATOM 2094 CB LEU 126 8.127 -42.731 18.648 1.00 2.22 ATOM 2095 HB1 LEU 126 8.607 -41.820 18.979 1.00 38.39 ATOM 2096 HB2 LEU 126 7.535 -42.505 17.770 1.00 75.24 ATOM 2097 CG LEU 126 9.224 -43.735 18.248 1.00 64.32 ATOM 2098 HG LEU 126 8.759 -44.672 17.973 1.00 71.22 ATOM 2099 CD1 LEU 126 10.008 -43.229 17.040 1.00 53.20 ATOM 2100 HD11 LEU 126 9.335 -43.093 16.205 1.00 33.43 ATOM 2101 HD12 LEU 126 10.765 -43.952 16.774 1.00 62.34 ATOM 2102 HD13 LEU 126 10.479 -42.287 17.281 1.00 13.33 ATOM 2103 CD2 LEU 126 10.164 -44.004 19.422 1.00 71.14 ATOM 2104 HD21 LEU 126 10.934 -44.698 19.116 1.00 40.40 ATOM 2105 HD22 LEU 126 9.605 -44.430 20.243 1.00 21.04 ATOM 2106 HD23 LEU 126 10.622 -43.078 19.739 1.00 2.43 ATOM 2107 C LEU 126 6.210 -42.084 20.143 1.00 71.41 ATOM 2108 O LEU 126 6.442 -41.349 21.105 1.00 15.31 ATOM 2109 N SER 127 5.122 -41.964 19.389 1.00 44.11 ATOM 2110 HN SER 127 5.017 -42.553 18.609 1.00 38.39 ATOM 2111 CA SER 127 4.079 -40.974 19.684 1.00 11.43 ATOM 2112 HA SER 127 4.399 -40.390 20.537 1.00 13.22 ATOM 2113 CB SER 127 3.862 -40.037 18.492 1.00 23.24 ATOM 2114 HB1 SER 127 3.298 -39.176 18.822 1.00 38.39 ATOM 2115 HB2 SER 127 3.305 -40.549 17.725 1.00 25.14 ATOM 2116 OG SER 127 5.090 -39.587 17.941 1.00 2.11 ATOM 2117 HG SER 127 5.500 -40.317 17.452 1.00 61.03 ATOM 2118 C SER 127 2.752 -41.657 20.026 1.00 32.15 ATOM 2119 O SER 127 2.547 -42.837 19.734 1.00 42.03 ATOM 2120 N ASN 128 1.847 -40.905 20.644 1.00 13.31 ATOM 2121 HN ASN 128 2.085 -39.985 20.893 1.00 38.39 ATOM 2122 CA ASN 128 0.509 -41.414 20.969 1.00 61.01 ATOM 2123 HA ASN 128 0.425 -42.417 20.573 1.00 21.21 ATOM 2124 CB ASN 128 0.299 -41.459 22.489 1.00 31.23 ATOM 2125 HB1 ASN 128 -0.581 -42.048 22.708 1.00 38.39 ATOM 2126 HB2 ASN 128 0.150 -40.453 22.856 1.00 33.44 ATOM 2127 CG ASN 128 1.477 -42.065 23.224 1.00 11.13 ATOM 2128 OD1 ASN 128 1.578 -43.276 23.384 1.00 22.24 ATOM 2129 ND2 ASN 128 2.370 -41.222 23.692 1.00 33.22 ATOM 2130 HD21 ASN 128 2.226 -40.267 23.542 1.00 5.12 ATOM 2131 HD22 ASN 128 3.142 -41.583 24.166 1.00 54.20 ATOM 2132 C ASN 128 -0.581 -40.537 20.328 1.00 60.10 ATOM 2133 O ASN 128 -0.413 -39.324 20.201 1.00 3.22 ATOM 2134 N PRO 129 -1.723 -41.132 19.927 1.00 13.21 ATOM 2135 CA PRO 129 -2.844 -40.377 19.334 1.00 44.23 ATOM 2136 HA PRO 129 -2.545 -39.894 18.413 1.00 61.13 ATOM 2137 CB PRO 129 -3.893 -41.462 19.028 1.00 4.23 ATOM 2138 HB1 PRO 129 -3.853 -41.719 17.979 1.00 38.39 ATOM 2139 HB2 PRO 129 -4.883 -41.097 19.272 1.00 25.54 ATOM 2140 CG PRO 129 -3.512 -42.624 19.886 1.00 12.41 ATOM 2141 HG1 PRO 129 -3.824 -43.547 19.418 1.00 38.39 ATOM 2142 HG2 PRO 129 -3.967 -42.528 20.863 1.00 3.31 ATOM 2143 CD PRO 129 -2.014 -42.576 20.000 1.00 54.20 ATOM 2144 HD1 PRO 129 -1.554 -43.103 19.176 1.00 38.39 ATOM 2145 HD2 PRO 129 -1.692 -42.991 20.945 1.00 15.13 ATOM 2146 C PRO 129 -3.418 -39.321 20.293 1.00 2.10 ATOM 2147 O PRO 129 -3.890 -38.266 19.864 1.00 44.13 ATOM 2148 N ASN 130 -3.363 -39.613 21.593 1.00 71.22 ATOM 2149 HN ASN 130 -2.982 -40.473 21.868 1.00 38.39 ATOM 2150 CA ASN 130 -3.867 -38.694 22.619 1.00 51.15 ATOM 2151 HA ASN 130 -4.891 -38.454 22.367 1.00 71.02 ATOM 2152 CB ASN 130 -3.843 -39.373 23.997 1.00 24.02 ATOM 2153 HB1 ASN 130 -4.254 -38.696 24.733 1.00 38.39 ATOM 2154 HB2 ASN 130 -2.822 -39.608 24.260 1.00 73.10 ATOM 2155 CG ASN 130 -4.653 -40.661 24.021 1.00 71.35 ATOM 2156 OD1 ASN 130 -4.726 -41.384 23.034 1.00 3.25 ATOM 2157 ND2 ASN 130 -5.268 -40.961 25.145 1.00 51.34 ATOM 2158 HD21 ASN 130 -5.170 -40.350 25.903 1.00 74.55 ATOM 2159 HD22 ASN 130 -5.808 -41.778 25.171 1.00 41.31 ATOM 2160 C ASN 130 -3.052 -37.389 22.646 1.00 65.02 ATOM 2161 O ASN 130 -3.610 -36.297 22.512 1.00 71.31 ATOM 2162 N GLU 131 -1.731 -37.510 22.811 1.00 10.10 ATOM 2163 HN GLU 131 -1.348 -38.399 22.971 1.00 38.39 ATOM 2164 CA GLU 131 -0.838 -36.343 22.780 1.00 2.51 ATOM 2165 HA GLU 131 -1.205 -35.634 23.510 1.00 41.51 ATOM 2166 CB GLU 131 0.597 -36.744 23.162 1.00 4.23 ATOM 2167 HB1 GLU 131 0.586 -37.156 24.163 1.00 38.39 ATOM 2168 HB2 GLU 131 1.220 -35.861 23.158 1.00 51.21 ATOM 2169 CG GLU 131 1.232 -37.776 22.233 1.00 41.40 ATOM 2170 HG1 GLU 131 1.290 -37.358 21.236 1.00 38.39 ATOM 2171 HG2 GLU 131 0.608 -38.658 22.212 1.00 45.31 ATOM 2172 CD GLU 131 2.629 -38.187 22.667 1.00 73.41 ATOM 2173 OE1 GLU 131 3.430 -38.578 21.803 1.00 54.31 ATOM 2174 OE2 GLU 131 2.923 -38.140 23.879 1.00 31.14 ATOM 2175 C GLU 131 -0.847 -35.665 21.399 1.00 54.14 ATOM 2176 O GLU 131 -0.699 -34.447 21.297 1.00 72.13 ATOM 2177 N LEU 132 -1.013 -36.464 20.342 1.00 40.43 ATOM 2178 HN LEU 132 -1.075 -37.431 20.488 1.00 38.39 ATOM 2179 CA LEU 132 -1.078 -35.947 18.968 1.00 35.34 ATOM 2180 HA LEU 132 -0.095 -35.574 18.713 1.00 62.24 ATOM 2181 CB LEU 132 -1.445 -37.082 17.996 1.00 75.31 ATOM 2182 HB1 LEU 132 -2.402 -37.485 18.296 1.00 38.39 ATOM 2183 HB2 LEU 132 -0.702 -37.862 18.094 1.00 62.35 ATOM 2184 CG LEU 132 -1.536 -36.688 16.510 1.00 73.32 ATOM 2185 HG LEU 132 -2.253 -35.886 16.404 1.00 64.14 ATOM 2186 CD1 LEU 132 -0.190 -36.181 15.996 1.00 12.25 ATOM 2187 HD11 LEU 132 0.124 -35.330 16.582 1.00 53.22 ATOM 2188 HD12 LEU 132 -0.286 -35.885 14.960 1.00 33.15 ATOM 2189 HD13 LEU 132 0.549 -36.967 16.077 1.00 51.32 ATOM 2190 CD2 LEU 132 -2.022 -37.866 15.668 1.00 25.03 ATOM 2191 HD21 LEU 132 -2.992 -38.187 16.022 1.00 52.14 ATOM 2192 HD22 LEU 132 -1.321 -38.685 15.750 1.00 43.35 ATOM 2193 HD23 LEU 132 -2.100 -37.562 14.634 1.00 24.03 ATOM 2194 C LEU 132 -2.091 -34.796 18.833 1.00 3.22 ATOM 2195 O LEU 132 -1.756 -33.714 18.344 1.00 12.42 ATOM 2196 N GLN 133 -3.324 -35.035 19.278 1.00 43.23 ATOM 2197 HN GLN 133 -3.529 -35.915 19.663 1.00 38.39 ATOM 2198 CA GLN 133 -4.385 -34.023 19.202 1.00 4.03 ATOM 2199 HA GLN 133 -4.522 -33.774 18.159 1.00 31.33 ATOM 2200 CB GLN 133 -5.699 -34.601 19.747 1.00 31.54 ATOM 2201 HB1 GLN 133 -5.551 -34.885 20.780 1.00 38.39 ATOM 2202 HB2 GLN 133 -5.953 -35.486 19.179 1.00 72.12 ATOM 2203 CG GLN 133 -6.885 -33.639 19.683 1.00 1.30 ATOM 2204 HG1 GLN 133 -6.664 -32.776 20.296 1.00 38.39 ATOM 2205 HG2 GLN 133 -7.759 -34.140 20.078 1.00 55.13 ATOM 2206 CD GLN 133 -7.197 -33.168 18.268 1.00 32.34 ATOM 2207 OE1 GLN 133 -7.960 -33.794 17.543 1.00 10.12 ATOM 2208 NE2 GLN 133 -6.614 -32.053 17.866 1.00 53.44 ATOM 2209 HE21 GLN 133 -6.017 -31.590 18.491 1.00 13.20 ATOM 2210 HE22 GLN 133 -6.806 -31.736 16.962 1.00 12.32 ATOM 2211 C GLN 133 -4.005 -32.741 19.968 1.00 23.14 ATOM 2212 O GLN 133 -4.258 -31.627 19.497 1.00 62.10 ATOM 2213 N ALA 134 -3.391 -32.905 21.140 1.00 2.11 ATOM 2214 HN ALA 134 -3.227 -33.816 21.465 1.00 38.39 ATOM 2215 CA ALA 134 -2.949 -31.767 21.959 1.00 53.02 ATOM 2216 HA ALA 134 -3.797 -31.108 22.101 1.00 25.45 ATOM 2217 CB ALA 134 -2.493 -32.255 23.331 1.00 44.33 ATOM 2218 HB1 ALA 134 -2.239 -31.406 23.951 1.00 31.00 ATOM 2219 HB2 ALA 134 -1.625 -32.890 23.218 1.00 24.03 ATOM 2220 HB3 ALA 134 -3.288 -32.816 23.798 1.00 52.22 ATOM 2221 C ALA 134 -1.823 -30.984 21.266 1.00 52.11 ATOM 2222 O ALA 134 -1.838 -29.749 21.221 1.00 71.53 ATOM 2223 N ALA 135 -0.849 -31.713 20.723 1.00 13.24 ATOM 2224 HN ALA 135 -0.874 -32.688 20.830 1.00 38.39 ATOM 2225 CA ALA 135 0.263 -31.112 19.976 1.00 13.32 ATOM 2226 HA ALA 135 0.849 -30.519 20.666 1.00 4.24 ATOM 2227 CB ALA 135 1.157 -32.206 19.407 1.00 51.31 ATOM 2228 HB1 ALA 135 2.001 -31.757 18.903 1.00 31.14 ATOM 2229 HB2 ALA 135 0.590 -32.802 18.701 1.00 43.12 ATOM 2230 HB3 ALA 135 1.510 -32.837 20.209 1.00 11.54 ATOM 2231 C ALA 135 -0.245 -30.214 18.841 1.00 72.14 ATOM 2232 O ALA 135 0.124 -29.041 18.736 1.00 34.43 ATOM 2233 N ILE 136 -1.097 -30.782 17.997 1.00 44.40 ATOM 2234 HN ILE 136 -1.339 -31.726 18.136 1.00 38.39 ATOM 2235 CA ILE 136 -1.684 -30.059 16.867 1.00 13.21 ATOM 2236 HA ILE 136 -0.877 -29.709 16.237 1.00 21.43 ATOM 2237 CB ILE 136 -2.573 -31.011 16.033 1.00 72.10 ATOM 2238 HB ILE 136 -3.374 -31.364 16.668 1.00 31.31 ATOM 2239 CG1 ILE 136 -1.743 -32.217 15.558 1.00 44.43 ATOM 2240 HG11 ILE 136 -1.150 -32.586 16.383 1.00 38.39 ATOM 2241 HG12 ILE 136 -1.082 -31.903 14.762 1.00 3.20 ATOM 2242 CG2 ILE 136 -3.198 -30.279 14.843 1.00 74.44 ATOM 2243 HG21 ILE 136 -3.810 -29.463 15.202 1.00 1.01 ATOM 2244 HG22 ILE 136 -3.812 -30.965 14.277 1.00 20.35 ATOM 2245 HG23 ILE 136 -2.416 -29.889 14.207 1.00 43.34 ATOM 2246 CD1 ILE 136 -2.573 -33.367 15.035 1.00 2.44 ATOM 2247 HD11 ILE 136 -3.256 -33.696 15.803 1.00 33.25 ATOM 2248 HD12 ILE 136 -1.918 -34.184 14.767 1.00 51.41 ATOM 2249 HD13 ILE 136 -3.129 -33.050 14.165 1.00 60.12 ATOM 2250 C ILE 136 -2.518 -28.853 17.331 1.00 23.43 ATOM 2251 O ILE 136 -2.390 -27.752 16.792 1.00 63.35 ATOM 2252 N ASP 137 -3.362 -29.063 18.339 1.00 15.32 ATOM 2253 HN ASP 137 -3.419 -29.960 18.736 1.00 38.39 ATOM 2254 CA ASP 137 -4.213 -27.994 18.871 1.00 74.44 ATOM 2255 HA ASP 137 -4.838 -27.643 18.061 1.00 20.11 ATOM 2256 CB ASP 137 -5.112 -28.549 19.979 1.00 62.54 ATOM 2257 HB1 ASP 137 -4.492 -28.910 20.790 1.00 38.39 ATOM 2258 HB2 ASP 137 -5.693 -29.372 19.585 1.00 23.25 ATOM 2259 CG ASP 137 -6.068 -27.506 20.522 1.00 1.01 ATOM 2260 OD1 ASP 137 -6.755 -26.849 19.712 1.00 3.14 ATOM 2261 OD2 ASP 137 -6.143 -27.340 21.756 1.00 74.10 ATOM 2262 C ASP 137 -3.375 -26.810 19.390 1.00 31.45 ATOM 2263 O ASP 137 -3.720 -25.645 19.171 1.00 3.54 ATOM 2264 N SER 138 -2.262 -27.116 20.055 1.00 64.54 ATOM 2265 HN SER 138 -2.058 -28.059 20.228 1.00 38.39 ATOM 2266 CA SER 138 -1.339 -26.078 20.542 1.00 24.51 ATOM 2267 HA SER 138 -1.890 -25.441 21.220 1.00 35.21 ATOM 2268 CB SER 138 -0.163 -26.712 21.304 1.00 22.13 ATOM 2269 HB1 SER 138 0.504 -25.935 21.647 1.00 38.39 ATOM 2270 HB2 SER 138 0.373 -27.380 20.646 1.00 1.11 ATOM 2271 OG SER 138 -0.617 -27.454 22.432 1.00 64.15 ATOM 2272 HG SER 138 -1.032 -28.274 22.131 1.00 73.13 ATOM 2273 C SER 138 -0.813 -25.218 19.380 1.00 21.33 ATOM 2274 O SER 138 -0.812 -23.989 19.456 1.00 25.54 ATOM 2275 N ASN 139 -0.395 -25.875 18.295 1.00 14.42 ATOM 2276 HN ASN 139 -0.403 -26.856 18.302 1.00 38.39 ATOM 2277 CA ASN 139 0.076 -25.173 17.089 1.00 52.52 ATOM 2278 HA ASN 139 0.887 -24.522 17.389 1.00 1.32 ATOM 2279 CB ASN 139 0.608 -26.177 16.054 1.00 62.12 ATOM 2280 HB1 ASN 139 0.656 -25.699 15.086 1.00 38.39 ATOM 2281 HB2 ASN 139 -0.066 -27.019 15.999 1.00 55.55 ATOM 2282 CG ASN 139 1.993 -26.696 16.400 1.00 53.44 ATOM 2283 OD1 ASN 139 3.000 -26.141 15.973 1.00 33.32 ATOM 2284 ND2 ASN 139 2.061 -27.759 17.172 1.00 3.24 ATOM 2285 HD21 ASN 139 1.227 -28.160 17.484 1.00 13.23 ATOM 2286 HD22 ASN 139 2.948 -28.103 17.400 1.00 11.23 ATOM 2287 C ASN 139 -1.033 -24.309 16.462 1.00 13.11 ATOM 2288 O ASN 139 -0.764 -23.233 15.925 1.00 41.32 ATOM 2289 N ARG 140 -2.280 -24.784 16.532 1.00 63.14 ATOM 2290 HN ARG 140 -2.430 -25.669 16.924 1.00 38.39 ATOM 2291 CA ARG 140 -3.427 -24.011 16.030 1.00 73.53 ATOM 2292 HA ARG 140 -3.195 -23.696 15.021 1.00 12.43 ATOM 2293 CB ARG 140 -4.701 -24.869 16.001 1.00 54.43 ATOM 2294 HB1 ARG 140 -5.519 -24.264 15.632 1.00 38.39 ATOM 2295 HB2 ARG 140 -4.931 -25.183 17.010 1.00 41.11 ATOM 2296 CG ARG 140 -4.599 -26.116 15.127 1.00 25.40 ATOM 2297 HG1 ARG 140 -3.879 -26.791 15.567 1.00 38.39 ATOM 2298 HG2 ARG 140 -4.266 -25.827 14.141 1.00 75.14 ATOM 2299 CD ARG 140 -5.941 -26.834 15.005 1.00 60.05 ATOM 2300 HD1 ARG 140 -5.796 -27.742 14.435 1.00 38.39 ATOM 2301 HD2 ARG 140 -6.635 -26.191 14.481 1.00 31.21 ATOM 2302 NE ARG 140 -6.510 -27.178 16.310 1.00 53.22 ATOM 2303 HE ARG 140 -6.204 -26.670 17.087 1.00 24.20 ATOM 2304 CZ ARG 140 -7.412 -28.104 16.497 1.00 61.35 ATOM 2305 NH1 ARG 140 -7.860 -28.810 15.506 1.00 64.42 ATOM 2306 HH11 ARG 140 -7.518 -28.652 14.586 1.00 23.32 ATOM 2307 HH12 ARG 140 -8.557 -29.508 15.666 1.00 1.42 ATOM 2308 NH2 ARG 140 -7.872 -28.319 17.683 1.00 62.43 ATOM 2309 HH21 ARG 140 -7.541 -27.776 18.454 1.00 52.51 ATOM 2310 HH22 ARG 140 -8.563 -29.025 17.829 1.00 1.32 ATOM 2311 C ARG 140 -3.670 -22.761 16.890 1.00 44.25 ATOM 2312 O ARG 140 -4.173 -21.747 16.405 1.00 1.11 ATOM 2313 N ARG 141 -3.322 -22.845 18.173 1.00 73.20 ATOM 2314 HN ARG 141 -2.969 -23.695 18.515 1.00 38.39 ATOM 2315 CA ARG 141 -3.455 -21.705 19.090 1.00 61.14 ATOM 2316 HA ARG 141 -4.367 -21.183 18.834 1.00 53.42 ATOM 2317 CB ARG 141 -3.557 -22.195 20.543 1.00 74.34 ATOM 2318 HB1 ARG 141 -2.668 -22.760 20.784 1.00 38.39 ATOM 2319 HB2 ARG 141 -4.419 -22.842 20.632 1.00 0.24 ATOM 2320 CG ARG 141 -3.700 -21.066 21.561 1.00 50.42 ATOM 2321 HG1 ARG 141 -4.566 -20.472 21.303 1.00 38.39 ATOM 2322 HG2 ARG 141 -2.815 -20.445 21.522 1.00 72.30 ATOM 2323 CD ARG 141 -3.866 -21.588 22.984 1.00 23.53 ATOM 2324 HD1 ARG 141 -2.984 -22.149 23.257 1.00 38.39 ATOM 2325 HD2 ARG 141 -4.730 -22.237 23.021 1.00 62.32 ATOM 2326 NE ARG 141 -4.046 -20.497 23.940 1.00 63.24 ATOM 2327 HE ARG 141 -3.244 -20.140 24.374 1.00 32.22 ATOM 2328 CZ ARG 141 -5.203 -19.969 24.243 1.00 31.23 ATOM 2329 NH1 ARG 141 -6.298 -20.424 23.718 1.00 13.44 ATOM 2330 HH11 ARG 141 -6.265 -21.188 23.079 1.00 71.13 ATOM 2331 HH12 ARG 141 -7.171 -20.008 23.954 1.00 10.12 ATOM 2332 NH2 ARG 141 -5.266 -18.988 25.080 1.00 25.54 ATOM 2333 HH21 ARG 141 -4.430 -18.637 25.497 1.00 61.20 ATOM 2334 HH22 ARG 141 -6.149 -18.587 25.312 1.00 30.11 ATOM 2335 C ARG 141 -2.275 -20.729 18.942 1.00 62.53 ATOM 2336 O ARG 141 -2.421 -19.522 19.152 1.00 2.30 ATOM 2337 N GLU 142 -1.110 -21.258 18.571 1.00 73.14 ATOM 2338 HN GLU 142 -1.056 -22.223 18.411 1.00 38.39 ATOM 2339 CA GLU 142 0.097 -20.437 18.399 1.00 15.32 ATOM 2340 HA GLU 142 0.247 -19.892 19.321 1.00 74.52 ATOM 2341 CB GLU 142 1.325 -21.323 18.154 1.00 61.41 ATOM 2342 HB1 GLU 142 2.155 -20.697 17.855 1.00 38.39 ATOM 2343 HB2 GLU 142 1.102 -22.014 17.353 1.00 1.30 ATOM 2344 CG GLU 142 1.752 -22.129 19.376 1.00 72.40 ATOM 2345 HG1 GLU 142 0.957 -22.817 19.633 1.00 38.39 ATOM 2346 HG2 GLU 142 1.913 -21.449 20.200 1.00 64.44 ATOM 2347 CD GLU 142 3.026 -22.921 19.140 1.00 31.11 ATOM 2348 OE1 GLU 142 4.126 -22.389 19.408 1.00 54.33 ATOM 2349 OE2 GLU 142 2.938 -24.071 18.673 1.00 60.33 ATOM 2350 C GLU 142 -0.053 -19.416 17.260 1.00 43.53 ATOM 2351 O GLU 142 -1.008 -19.457 16.477 1.00 23.15 ATOM 2352 N GLY 143 0.919 -18.514 17.160 1.00 33.13 ATOM 2353 HN GLY 143 1.724 -18.619 17.709 1.00 38.39 ATOM 2354 CA GLY 143 0.806 -17.381 16.251 1.00 51.24 ATOM 2355 HA1 GLY 143 0.238 -17.677 15.381 1.00 38.39 ATOM 2356 HA2 GLY 143 1.796 -17.079 15.940 1.00 42.12 ATOM 2357 C GLY 143 0.113 -16.201 16.919 1.00 61.24 ATOM 2358 O GLY 143 -0.637 -15.456 16.283 1.00 13.43 ATOM 2359 N ARG 144 0.370 -16.039 18.214 1.00 44.52 ATOM 2360 HN ARG 144 1.037 -16.624 18.640 1.00 38.39 ATOM 2361 CA ARG 144 -0.295 -15.016 19.027 1.00 65.25 ATOM 2362 HA ARG 144 -0.647 -14.236 18.366 1.00 54.31 ATOM 2363 CB ARG 144 -1.499 -15.628 19.761 1.00 12.22 ATOM 2364 HB1 ARG 144 -2.258 -15.882 19.033 1.00 38.39 ATOM 2365 HB2 ARG 144 -1.904 -14.890 20.442 1.00 22.22 ATOM 2366 CG ARG 144 -1.159 -16.889 20.560 1.00 25.12 ATOM 2367 HG1 ARG 144 -0.144 -16.811 20.925 1.00 38.39 ATOM 2368 HG2 ARG 144 -1.242 -17.748 19.910 1.00 24.30 ATOM 2369 CD ARG 144 -2.097 -17.078 21.748 1.00 41.34 ATOM 2370 HD1 ARG 144 -1.946 -18.066 22.158 1.00 38.39 ATOM 2371 HD2 ARG 144 -3.120 -16.983 21.407 1.00 0.21 ATOM 2372 NE ARG 144 -1.841 -16.084 22.792 1.00 44.41 ATOM 2373 HE ARG 144 -0.907 -15.863 22.979 1.00 1.23 ATOM 2374 CZ ARG 144 -2.763 -15.484 23.492 1.00 72.12 ATOM 2375 NH1 ARG 144 -4.018 -15.736 23.294 1.00 1.34 ATOM 2376 HH11 ARG 144 -4.292 -16.395 22.595 1.00 71.21 ATOM 2377 HH12 ARG 144 -4.707 -15.272 23.842 1.00 30.15 ATOM 2378 NH2 ARG 144 -2.422 -14.618 24.390 1.00 34.21 ATOM 2379 HH21 ARG 144 -1.456 -14.409 24.540 1.00 61.31 ATOM 2380 HH22 ARG 144 -3.122 -14.163 24.937 1.00 70.21 ATOM 2381 C ARG 144 0.663 -14.395 20.054 1.00 54.42 ATOM 2382 O ARG 144 1.871 -14.640 20.029 1.00 31.13 ATOM 2383 N ARG 145 0.104 -13.581 20.950 1.00 50.23 ATOM 2384 HN ARG 145 -0.854 -13.384 20.878 1.00 38.39 ATOM 2385 HA ARG 145 1.671 -13.640 22.288 1.00 21.23 ATOM 2386 CB ARG 145 1.512 -11.636 21.537 1.00 23.41 ATOM 2387 HB1 ARG 145 2.412 -11.885 20.993 1.00 38.39 ATOM 2388 HB2 ARG 145 1.785 -11.041 22.395 1.00 44.11 ATOM 2389 CG ARG 145 0.630 -10.775 20.620 1.00 42.23 ATOM 2390 HG1 ARG 145 -0.023 -11.426 20.054 1.00 38.39 ATOM 2391 HG2 ARG 145 1.267 -10.231 19.937 1.00 42.13 ATOM 2392 CD ARG 145 -0.221 -9.769 21.390 1.00 74.12 ATOM 2393 HD1 ARG 145 -0.868 -10.305 22.069 1.00 38.39 ATOM 2394 HD2 ARG 145 -0.825 -9.215 20.685 1.00 52.54 ATOM 2395 NE ARG 145 0.596 -8.825 22.151 1.00 71.45 ATOM 2396 HE ARG 145 1.251 -8.293 21.657 1.00 52.40 ATOM 2397 CZ ARG 145 0.482 -8.622 23.436 1.00 55.01 ATOM 2398 NH1 ARG 145 -0.316 -9.352 24.149 1.00 64.12 ATOM 2399 HH11 ARG 145 -0.845 -10.081 23.716 1.00 51.32 ATOM 2400 HH12 ARG 145 -0.403 -9.184 25.126 1.00 12.51 ATOM 2401 NH2 ARG 145 1.196 -7.708 24.009 1.00 41.33 ATOM 2402 HH21 ARG 145 1.833 -7.165 23.467 1.00 32.22 ATOM 2403 HH22 ARG 145 1.108 -7.544 24.990 1.00 40.40 ATOM 2404 CA ARG 145 0.870 -12.955 22.033 1.00 12.44 ATOM 2405 C ARG 145 0.004 -12.755 23.303 1.00 54.43 ATOM 2406 OT1 ARG 145 -0.960 -11.957 23.271 1.00 38.39 ATOM 2407 OT2 ARG 145 0.282 -13.420 24.328 1.00 38.39 ATOM 2408 OH2 TIP3 1 -5.639 -51.179 -17.528 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -5.597 -51.665 -18.358 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -5.018 -51.666 -16.931 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -3.165 -55.128 -13.854 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -4.075 -55.148 -14.221 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.278 -55.419 -12.927 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 4.099 -54.968 -12.668 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 4.312 -54.080 -12.312 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 3.641 -55.421 -11.926 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -5.762 -54.744 -14.702 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -6.183 -54.230 -13.974 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.505 -55.038 -15.242 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -0.719 -55.995 -12.818 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 0.142 -55.782 -13.259 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -1.385 -55.840 -13.512 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -1.428 -52.772 -10.963 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -1.938 -52.477 -11.728 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -0.485 -52.794 -11.298 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -4.175 -51.224 -13.413 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -4.457 -51.678 -14.229 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -3.399 -50.697 -13.693 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -7.298 -51.819 -15.332 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -6.749 -51.562 -16.093 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -8.081 -51.223 -15.391 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -1.706 -52.884 -14.642 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -0.727 -52.887 -14.475 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -2.006 -53.759 -14.321 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -2.162 -58.511 -10.348 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -1.272 -58.110 -10.280 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -1.992 -59.452 -10.433 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -4.199 -52.665 -15.808 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -4.626 -53.480 -15.477 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -3.254 -52.769 -15.559 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -6.860 -52.959 -12.939 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -7.114 -52.492 -13.772 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -6.296 -52.324 -12.474 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -9.148 -49.882 -15.669 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -9.017 -49.448 -16.529 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -8.962 -49.173 -15.014 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -6.359 -55.167 -0.114 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -5.487 -55.516 -0.321 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -6.581 -54.600 -0.887 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -7.986 -55.317 2.090 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.267 -56.249 2.205 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -7.388 -55.340 1.307 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 1.064 -62.684 5.231 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 1.648 -62.050 4.758 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 1.540 -62.860 6.071 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -6.832 -53.505 -2.268 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -7.567 -52.868 -2.196 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -6.601 -53.495 -3.214 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -3.107 -53.224 -4.492 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -2.836 -52.277 -4.543 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -2.491 -53.678 -5.098 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -4.600 -59.639 3.345 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -4.397 -60.191 4.129 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -5.400 -59.130 3.613 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -10.666 -58.180 4.550 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -10.653 -57.536 5.289 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -10.972 -58.995 4.954 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -8.510 -52.085 -5.021 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -8.681 -51.736 -5.925 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -7.591 -52.404 -5.061 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -0.349 -51.235 -8.907 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -0.060 -50.484 -9.467 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -0.830 -51.818 -9.525 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -8.504 -52.905 3.128 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -8.372 -53.771 2.663 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -7.595 -52.593 3.306 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -8.596 -51.333 -2.418 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -8.819 -51.660 -3.323 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -7.725 -50.885 -2.538 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -5.476 -53.415 -7.670 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -6.170 -53.964 -8.041 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -4.795 -53.384 -8.371 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -6.196 -50.424 -3.283 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -6.015 -49.525 -3.621 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -5.922 -51.012 -4.007 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -4.242 -59.459 11.579 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -4.432 -59.389 10.611 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -4.059 -60.395 11.712 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -3.978 -60.779 5.759 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.663 -61.117 6.345 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -3.420 -60.226 6.340 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -1.605 -60.815 1.563 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -0.634 -60.944 1.533 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -1.969 -61.677 1.265 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -5.093 -56.894 8.442 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -4.358 -56.246 8.494 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -5.684 -56.531 7.775 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -0.613 -54.787 -9.041 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -0.314 -55.593 -9.496 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -0.814 -54.167 -9.762 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -2.402 -56.352 0.519 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -1.829 -56.727 -0.181 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -2.424 -55.396 0.317 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -10.007 -50.651 2.660 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -10.785 -50.655 3.259 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -9.565 -51.511 2.837 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -8.902 -57.893 2.483 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -9.169 -58.582 1.866 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -9.566 -57.951 3.212 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -5.789 -52.854 -4.961 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -4.871 -53.061 -4.673 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -5.765 -52.990 -5.937 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 2.009 -57.319 -8.219 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 1.090 -57.440 -8.487 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 2.010 -57.545 -7.260 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -8.629 -51.035 -7.539 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -8.395 -51.164 -8.477 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -8.796 -50.076 -7.464 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -0.931 -60.788 5.419 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -1.696 -61.142 4.941 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -0.270 -61.510 5.380 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -2.005 -63.426 0.885 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -1.430 -63.592 1.665 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -2.167 -64.297 0.522 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -10.766 -54.873 9.398 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -11.170 -54.023 9.680 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -9.905 -54.886 9.858 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -3.009 -56.015 -11.219 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -3.025 -56.908 -10.811 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -2.099 -55.932 -11.566 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -7.915 -56.750 6.140 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -7.638 -55.824 6.281 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -8.809 -56.794 6.529 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -8.020 -58.462 13.965 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.906 -59.158 14.616 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -7.101 -58.154 13.778 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -6.724 -58.190 4.151 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -7.075 -57.747 4.954 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -7.429 -58.070 3.487 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 1.593 -57.831 -5.580 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 0.970 -57.204 -5.157 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 2.127 -58.177 -4.839 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -0.588 -56.917 -1.605 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 0.120 -56.249 -1.490 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -0.734 -56.941 -2.564 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -2.167 -59.466 7.453 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -1.606 -59.909 6.776 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -1.525 -58.976 8.010 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 3.269 -62.904 -2.228 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 2.753 -62.964 -1.413 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 3.525 -61.965 -2.280 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 1.091 -61.411 1.819 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 1.575 -61.036 2.583 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 1.801 -61.742 1.229 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -12.069 -53.957 2.736 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -11.614 -54.043 3.600 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -11.524 -54.473 2.132 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -12.209 -50.547 4.221 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -12.642 -49.706 4.407 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -12.811 -50.992 3.582 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -9.229 -50.029 0.086 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -9.095 -50.774 -0.527 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -9.557 -50.446 0.909 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -7.944 -51.191 -10.284 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -8.361 -51.729 -10.972 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.981 -51.284 -10.459 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -1.107 -54.020 -6.413 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -1.040 -54.475 -7.283 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -0.726 -53.149 -6.577 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -3.291 -56.342 20.224 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -4.147 -56.708 20.000 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.245 -55.505 19.712 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -4.524 -52.394 16.556 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -4.961 -52.865 15.810 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -3.676 -52.098 16.181 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -3.398 -54.012 18.663 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -3.931 -53.525 18.009 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -2.506 -53.612 18.588 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -5.440 -57.884 13.466 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -4.650 -57.404 13.737 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -5.131 -58.461 12.736 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -2.592 -54.952 13.939 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -2.620 -55.669 13.282 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -1.781 -55.141 14.462 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -5.662 -53.432 14.296 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -5.242 -54.263 14.035 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -6.490 -53.398 13.753 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -7.278 -48.231 9.322 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -7.409 -49.134 8.991 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -8.045 -48.076 9.897 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -4.340 -51.322 13.093 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -4.966 -52.013 13.387 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -3.511 -51.533 13.577 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -4.490 -59.519 8.888 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -4.854 -58.624 8.698 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -3.625 -59.526 8.429 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -9.727 -57.463 12.106 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -9.053 -57.844 12.721 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -10.555 -57.537 12.593 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -2.288 -52.269 14.577 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -2.444 -53.193 14.271 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -1.374 -52.298 14.961 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -10.304 -54.185 4.853 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -9.578 -53.775 4.335 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -9.947 -55.043 5.125 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -2.410 -59.005 15.030 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -2.829 -59.633 15.623 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -1.689 -58.606 15.572 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -10.618 -57.622 9.423 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -10.844 -56.670 9.477 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -10.246 -57.828 10.299 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -11.141 -52.336 10.395 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -10.561 -51.978 11.091 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -11.139 -51.648 9.708 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -7.760 -53.164 12.598 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -8.092 -53.869 12.006 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -8.260 -52.367 12.324 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -9.205 -50.900 11.879 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -9.228 -50.135 11.277 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -9.141 -50.496 12.772 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -0.910 -52.867 18.173 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -0.632 -52.662 17.248 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -0.242 -53.506 18.481 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -8.472 -55.301 10.927 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -8.932 -56.031 11.400 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -7.685 -55.719 10.557 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -2.988 -54.999 8.308 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.725 -54.079 8.195 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -2.179 -55.508 8.067 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -9.608 -48.290 10.859 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -10.233 -48.242 11.613 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -10.178 -48.162 10.070 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -0.235 -55.385 15.251 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 0.611 -55.587 14.790 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -0.125 -54.451 15.546 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 0.964 -52.662 22.540 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 0.640 -52.152 21.773 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 0.948 -53.592 22.233 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 1.368 -58.490 14.375 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 1.800 -57.616 14.472 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 0.797 -58.559 15.167 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -0.388 -57.852 16.419 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 0.175 -57.777 17.215 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -0.464 -56.927 16.093 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -0.910 -56.937 21.508 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -0.626 -57.742 21.029 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -1.808 -56.755 21.160 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 0.255 -51.261 20.243 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -0.369 -51.598 19.568 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -0.195 -50.466 20.613 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 0.154 -58.367 11.839 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -0.754 -58.010 11.914 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 0.477 -58.384 12.764 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -2.457 -57.625 12.664 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -3.053 -58.180 12.120 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -2.404 -58.102 13.523 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -1.368 -49.358 13.265 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -1.509 -50.176 13.761 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -0.415 -49.212 13.312 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -0.438 -51.223 26.351 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 0.359 -51.280 25.775 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -0.341 -51.958 26.959 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -8.415 -40.568 -17.383 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -7.771 -40.119 -17.962 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -8.174 -41.521 -17.452 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -7.763 -35.643 -15.920 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -7.620 -36.060 -16.797 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -8.731 -35.603 -15.829 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -10.370 -37.263 -17.763 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -10.516 -37.783 -16.945 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -11.271 -37.140 -18.129 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -7.227 -34.605 -19.531 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -8.198 -34.491 -19.532 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -7.096 -35.494 -19.146 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -5.677 -43.003 -19.226 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -6.399 -43.073 -18.568 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -4.870 -43.230 -18.723 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -10.685 -41.152 -15.984 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -10.961 -41.968 -16.418 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -9.849 -40.904 -16.449 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -7.643 -37.074 -18.285 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -7.151 -37.884 -18.546 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -8.567 -37.380 -18.179 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -10.714 -38.654 -12.667 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -9.934 -39.178 -12.383 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -10.827 -37.990 -11.956 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -8.818 -47.485 -20.166 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -8.683 -47.699 -19.215 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -9.137 -48.305 -20.549 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -10.540 -35.842 -14.916 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -11.266 -35.422 -15.419 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -10.712 -36.803 -15.010 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -10.242 -33.276 -16.663 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -11.104 -33.713 -16.517 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -10.111 -32.736 -15.872 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -1.906 -50.145 -14.491 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -1.735 -51.109 -14.582 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -1.156 -49.726 -14.960 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -9.898 -34.711 -18.955 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -9.919 -35.613 -18.579 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -9.942 -34.121 -18.168 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -6.421 -39.435 -19.040 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -6.572 -39.707 -19.973 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -5.483 -39.621 -18.891 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -6.565 -40.303 -21.645 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -7.050 -41.065 -21.984 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -5.632 -40.619 -21.585 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -12.878 -36.552 -18.643 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -13.479 -37.160 -19.090 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -12.762 -35.809 -19.289 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -11.072 -38.509 -15.360 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -11.055 -39.450 -15.645 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -11.030 -38.557 -14.377 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -6.973 -36.472 -13.430 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -7.067 -36.132 -14.352 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -6.570 -37.362 -13.542 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -8.456 -40.132 -11.981 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -7.642 -39.640 -12.193 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -8.201 -41.081 -12.108 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -14.454 -40.508 -6.216 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -15.305 -40.092 -6.369 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -13.806 -39.889 -6.629 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -9.883 -32.177 -9.764 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -10.627 -32.365 -10.374 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -9.109 -32.111 -10.355 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -3.161 -47.660 -14.453 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -3.368 -47.325 -13.553 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -2.761 -48.543 -14.296 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -11.475 -41.482 -13.207 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -11.714 -40.547 -13.149 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -11.117 -41.582 -14.107 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -4.238 -41.564 -21.013 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -4.786 -42.116 -20.413 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -3.420 -42.082 -21.131 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -6.260 -44.914 -12.815 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -6.970 -45.487 -12.444 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -5.439 -45.417 -12.653 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -8.098 -44.887 -19.675 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -8.415 -45.779 -19.940 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -7.290 -44.762 -20.185 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -8.195 -48.057 -17.565 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -7.223 -48.176 -17.649 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -8.299 -47.503 -16.776 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -7.839 -43.200 -17.553 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -8.129 -43.855 -18.231 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -7.580 -43.754 -16.776 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -8.252 -47.700 -14.283 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -8.419 -47.221 -13.448 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -7.327 -47.473 -14.508 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -7.757 -42.742 -12.052 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -8.313 -43.299 -11.468 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -7.083 -43.363 -12.399 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -12.303 -34.462 -20.236 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -12.341 -33.735 -20.864 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -11.368 -34.466 -19.928 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -8.089 -32.492 -11.892 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -8.531 -32.050 -12.652 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -8.283 -33.438 -12.027 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -5.747 -47.122 -15.302 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -4.858 -47.252 -14.920 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -5.703 -47.585 -16.168 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -6.898 -44.672 -15.495 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -6.803 -44.495 -14.542 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -6.488 -45.552 -15.611 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -2.273 -31.734 -17.658 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -2.828 -32.340 -18.161 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -2.894 -31.036 -17.355 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -6.792 -37.135 -10.790 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -6.730 -36.276 -10.306 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -6.824 -36.872 -11.735 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -5.114 -38.890 -9.579 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -5.665 -38.265 -10.105 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -4.202 -38.672 -9.832 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -10.445 -41.573 -10.669 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -11.023 -41.727 -11.449 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -9.700 -41.057 -11.027 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -9.379 -44.167 -10.342 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -9.991 -43.414 -10.461 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -9.283 -44.240 -9.362 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -4.101 -46.625 -12.083 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -4.637 -47.356 -11.683 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -3.661 -46.216 -11.328 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -8.313 -46.343 -11.777 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -8.298 -47.105 -11.155 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -8.813 -45.650 -11.293 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -5.509 -48.556 -10.812 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -5.396 -49.523 -10.784 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -6.420 -48.413 -10.481 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -5.303 -51.421 -11.007 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -4.845 -52.184 -10.590 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -4.808 -51.277 -11.852 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -0.791 -39.890 -23.964 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -1.421 -39.173 -24.188 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -0.262 -39.518 -23.232 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -0.764 -42.507 -23.297 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -0.633 -42.955 -24.138 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -0.866 -41.554 -23.547 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -8.350 -38.533 -22.784 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -8.606 -37.982 -22.045 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -7.631 -39.090 -22.432 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -11.253 -33.221 -11.966 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -12.020 -33.533 -12.450 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -10.526 -33.797 -12.267 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -9.162 -34.960 -12.763 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.670 -35.193 -13.578 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -8.320 -35.460 -12.861 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -4.016 -33.107 -10.974 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -3.111 -32.964 -11.276 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -3.991 -33.997 -10.561 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -8.984 -31.360 -14.227 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -9.096 -30.403 -14.229 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -8.339 -31.529 -14.949 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -2.157 -38.057 -17.223 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -2.375 -37.995 -16.270 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -2.158 -39.016 -17.407 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -12.536 -34.819 -16.504 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -13.428 -34.459 -16.433 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -12.607 -35.498 -17.213 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -5.456 -48.461 -17.606 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -4.507 -48.230 -17.722 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -5.465 -49.444 -17.597 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -2.849 -47.576 -17.197 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -2.870 -47.597 -16.219 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -2.204 -46.890 -17.406 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -3.872 -53.634 -10.020 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -3.804 -54.555 -10.353 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -2.962 -53.285 -10.112 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -6.816 -34.427 -3.738 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -7.210 -33.939 -2.995 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -6.880 -33.804 -4.491 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -7.167 -42.155 -0.440 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -7.854 -42.350 0.232 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -7.663 -42.117 -1.285 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -11.436 -42.089 2.854 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -12.276 -42.553 2.746 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -11.320 -42.027 3.824 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -4.896 -43.763 2.715 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -4.747 -44.445 2.027 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -5.163 -44.277 3.507 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -8.971 -42.644 1.632 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -9.858 -42.372 1.944 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -8.953 -43.617 1.789 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -15.476 -49.521 -0.532 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -15.124 -49.010 -1.295 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -16.419 -49.573 -0.699 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -14.279 -48.036 -2.517 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -13.977 -47.609 -3.323 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -13.456 -48.179 -1.998 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -9.263 -44.014 -7.598 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -9.461 -43.234 -7.045 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -9.246 -44.757 -6.968 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -12.123 -40.087 1.067 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -11.425 -40.129 0.413 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -11.826 -40.687 1.774 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -2.454 -50.602 -4.845 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -2.270 -50.198 -5.699 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -2.751 -49.850 -4.282 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -10.376 -39.661 6.513 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -9.499 -39.245 6.576 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.740 -39.590 7.421 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -9.173 -34.633 -6.184 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -8.462 -33.957 -6.167 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -9.766 -34.368 -5.467 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 0.060 -32.642 -7.529 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 0.859 -32.354 -8.021 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 0.091 -33.634 -7.577 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -13.699 -51.880 2.330 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -13.112 -52.671 2.437 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -14.501 -52.236 1.930 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -8.878 -46.133 -5.728 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -8.125 -45.513 -5.596 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -9.036 -46.503 -4.843 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -8.165 -48.436 -9.988 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -8.571 -48.292 -9.104 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -8.284 -49.394 -10.152 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -12.030 -48.457 -1.056 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -12.394 -48.841 -0.222 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -11.310 -47.868 -0.753 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -9.113 -43.968 5.110 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -8.868 -44.133 6.045 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -9.891 -43.378 5.171 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -7.836 -41.784 4.025 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -7.858 -41.941 3.059 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -8.197 -42.612 4.403 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -9.572 -47.397 -0.306 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -9.588 -47.039 0.595 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -9.369 -48.356 -0.180 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -12.535 -42.339 -5.679 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -13.244 -41.663 -5.789 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -12.998 -43.177 -5.745 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -8.553 -47.278 -2.960 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.156 -48.026 -3.155 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -8.772 -47.035 -2.037 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -9.946 -47.821 2.657 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -9.424 -47.980 3.470 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -10.168 -48.720 2.340 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -9.985 -41.649 -6.207 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -10.883 -41.922 -5.901 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -10.166 -41.076 -6.987 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -7.412 -41.444 6.797 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -7.888 -42.238 7.128 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.412 -41.555 5.824 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -7.845 -40.277 -5.267 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -8.681 -40.734 -5.501 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -7.398 -40.159 -6.116 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -12.974 -44.140 9.628 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -13.412 -44.663 8.914 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -13.697 -43.893 10.216 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -8.864 -37.374 4.481 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -9.738 -37.073 4.755 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -8.441 -37.673 5.313 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -5.140 -41.475 1.239 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -5.019 -42.294 1.775 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -5.829 -41.723 0.578 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -10.072 -36.046 -1.008 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -10.560 -36.772 -1.406 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -9.580 -36.463 -0.266 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -8.550 -41.964 -2.890 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -8.232 -41.307 -3.534 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -9.320 -42.358 -3.315 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -7.752 -39.191 2.873 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -8.187 -38.552 3.482 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -7.940 -40.063 3.271 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 5.264 -27.295 -4.216 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 5.062 -28.102 -4.764 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 4.731 -27.411 -3.423 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -6.457 -34.751 -9.577 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -5.494 -34.928 -9.578 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -6.524 -33.799 -9.717 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -8.841 -38.035 -9.239 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -9.554 -37.500 -9.650 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -8.071 -37.895 -9.831 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -7.082 -32.817 -5.921 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -6.147 -32.679 -6.173 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -7.584 -32.176 -6.478 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -11.165 -49.209 -5.677 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -11.617 -50.053 -5.760 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -10.895 -49.173 -4.733 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -6.002 -47.686 -3.972 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -6.083 -47.263 -4.837 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -6.858 -47.485 -3.526 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -10.269 -34.746 -8.760 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -9.890 -34.770 -7.859 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -10.164 -33.814 -9.037 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -8.951 -31.343 -7.221 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -9.162 -30.401 -7.011 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -9.360 -31.490 -8.100 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -7.743 -38.700 6.675 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -7.582 -39.668 6.703 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -7.160 -38.343 7.381 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -0.016 -35.080 -4.915 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 0.389 -35.950 -4.725 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -0.006 -35.024 -5.897 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -12.732 -38.810 -7.430 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -12.505 -37.890 -7.590 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -11.949 -39.310 -7.749 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -10.471 -36.507 -10.818 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -10.032 -35.992 -11.521 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -10.580 -35.859 -10.080 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -10.464 -40.065 -8.365 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -10.599 -40.655 -9.142 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -9.842 -39.380 -8.690 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.193 -45.168 2.589 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -9.097 -44.917 3.532 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.486 -46.096 2.616 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -6.598 -40.674 -8.138 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -5.990 -40.263 -8.790 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -7.279 -41.093 -8.682 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -11.285 -42.324 8.325 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -11.309 -41.417 8.699 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -11.900 -42.834 8.891 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -11.154 -46.608 4.936 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -10.354 -46.977 5.352 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -11.111 -46.927 4.019 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -13.312 -49.467 1.088 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -14.161 -49.418 0.591 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -13.347 -50.336 1.529 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -11.098 -42.146 5.624 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -11.300 -42.351 6.566 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -10.825 -41.198 5.648 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -8.903 -43.636 7.823 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -8.871 -44.306 8.525 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -9.712 -43.117 8.029 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -12.738 -44.470 5.553 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -12.144 -45.210 5.289 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -12.187 -43.676 5.460 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -11.082 -51.949 6.289 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -10.861 -52.841 5.950 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -11.542 -51.516 5.541 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -10.455 -50.422 8.429 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -9.499 -50.611 8.507 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -10.753 -50.998 7.682 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -11.225 -47.793 8.666 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -11.048 -48.748 8.485 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -11.997 -47.589 8.121 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -11.069 -39.626 9.207 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -10.240 -39.841 9.698 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -11.406 -38.831 9.656 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -9.216 -34.371 8.289 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -8.515 -35.024 8.216 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -9.551 -34.483 9.210 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -8.060 -34.386 2.247 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -8.451 -34.121 1.388 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -8.331 -33.677 2.861 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -6.154 -36.458 2.058 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -6.872 -36.669 1.433 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -6.413 -35.589 2.422 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -8.735 -37.027 1.176 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -8.802 -36.327 1.851 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -8.655 -37.850 1.691 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -10.391 -49.306 -3.052 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -11.023 -49.108 -2.324 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -9.855 -50.051 -2.708 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -3.298 -48.333 -3.542 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -2.843 -47.475 -3.436 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -4.241 -48.093 -3.635 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -9.271 -48.287 -7.433 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -10.047 -48.600 -6.912 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -9.024 -47.442 -7.000 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -2.608 -33.054 -7.900 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -2.528 -34.038 -7.899 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -1.684 -32.744 -7.794 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -0.478 -32.260 -4.817 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -0.212 -32.246 -5.758 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -0.383 -33.197 -4.558 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.560 -56.649 6.882 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.535 -57.212 7.690 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -10.971 -55.823 7.187 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -5.501 -40.100 15.445 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -4.635 -40.199 15.860 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -6.079 -40.701 15.956 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -6.753 -42.204 17.213 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -6.735 -42.727 18.045 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -6.210 -42.738 16.588 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -8.961 -40.861 18.512 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -8.431 -40.345 19.129 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -8.302 -41.338 17.970 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -4.826 -45.199 21.406 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -5.418 -44.769 22.057 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -3.964 -45.241 21.867 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -5.686 -45.252 12.369 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -6.523 -45.758 12.464 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -5.977 -44.325 12.264 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -11.297 -41.747 19.737 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -10.455 -41.455 19.320 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -11.953 -41.635 19.045 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -2.869 -45.169 16.355 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -3.175 -46.025 16.020 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -2.154 -45.397 16.966 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -6.059 -49.327 21.739 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -6.521 -49.615 22.531 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -6.324 -49.985 21.054 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -5.161 -39.969 12.636 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -5.189 -39.895 13.612 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -5.589 -40.829 12.455 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -6.685 -41.438 9.496 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -5.771 -41.083 9.553 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -6.882 -41.436 8.536 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -10.845 -36.131 17.605 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -10.080 -36.065 16.993 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -10.605 -36.841 18.206 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -14.177 -38.944 24.104 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -14.664 -39.591 24.621 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -14.853 -38.339 23.779 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -4.252 -40.296 9.965 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -3.311 -40.551 9.853 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -4.353 -40.171 10.928 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -10.471 -35.178 21.423 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -9.789 -34.587 21.795 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.060 -36.055 21.446 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.429 -30.810 16.901 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.363 -31.771 17.032 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.807 -30.476 17.750 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -5.034 -32.393 10.912 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -5.103 -33.334 10.606 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -5.955 -32.102 10.977 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -6.168 -43.618 23.184 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -5.685 -42.767 23.100 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -7.012 -43.463 22.708 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -10.480 -45.327 9.809 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -11.331 -44.849 9.730 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -10.643 -46.179 9.358 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -6.545 -42.464 12.090 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -6.677 -42.294 11.132 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -7.330 -42.060 12.515 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -7.900 -42.272 25.260 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -8.098 -42.015 26.182 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -7.830 -43.239 25.297 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -5.098 -43.677 15.619 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -4.342 -44.191 15.972 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -5.093 -43.868 14.672 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -14.093 -45.581 7.610 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -14.884 -45.945 7.202 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -13.620 -45.141 6.863 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -6.585 -43.787 19.543 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -5.824 -44.118 20.055 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -7.331 -43.810 20.186 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -9.255 -48.919 16.710 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -8.366 -48.551 16.908 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -9.670 -49.009 17.573 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -5.983 -46.516 19.185 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -6.477 -45.686 19.077 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -5.457 -46.374 19.996 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -5.730 -47.214 14.828 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -6.182 -46.365 14.847 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -6.020 -47.658 15.655 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -8.637 -40.988 13.312 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -8.897 -40.068 13.561 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.031 -41.538 14.001 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -6.761 -37.600 14.848 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -6.353 -38.458 15.082 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -6.560 -37.487 13.910 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -8.817 -40.771 23.153 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -9.402 -41.454 22.777 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -8.416 -41.206 23.937 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -13.819 -35.648 15.175 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -13.568 -35.222 16.019 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -14.303 -34.967 14.702 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -12.073 -37.392 13.979 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -12.528 -36.578 14.296 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -12.584 -38.109 14.367 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -12.692 -35.334 23.023 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -13.098 -34.446 23.011 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -11.957 -35.268 22.379 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -11.449 -33.477 15.107 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -11.947 -33.730 15.907 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -11.619 -32.519 15.012 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -9.509 -38.427 13.998 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -10.361 -37.942 14.066 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -8.877 -37.864 14.473 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -7.932 -46.793 21.999 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -7.301 -47.405 21.593 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -7.611 -46.690 22.916 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -8.576 -36.007 16.097 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -7.765 -36.471 15.794 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -8.241 -35.209 16.557 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -7.916 -46.902 12.638 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -7.934 -47.584 13.335 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -8.311 -47.348 11.863 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -8.338 -44.075 21.576 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -9.222 -43.723 21.823 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -8.426 -45.050 21.681 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -9.179 -49.159 14.007 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -9.186 -49.125 14.990 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -10.032 -48.751 13.749 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -9.621 -34.941 13.684 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -9.213 -35.341 14.469 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -10.365 -34.411 14.048 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -11.333 -47.787 13.031 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -12.270 -47.737 13.246 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -11.047 -46.844 12.972 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -2.892 -45.064 23.399 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -3.286 -45.879 23.774 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -1.927 -45.161 23.568 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -10.964 -37.525 11.405 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -11.472 -37.350 12.223 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -10.190 -38.020 11.709 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -6.736 -36.038 22.604 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -5.812 -36.237 22.815 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -7.200 -36.884 22.726 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -5.889 -38.200 8.685 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -5.284 -38.954 8.777 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -5.902 -37.801 9.576 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -11.695 -37.674 23.850 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -12.177 -36.876 23.537 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -12.406 -38.328 24.015 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -5.326 -37.428 11.338 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -4.450 -37.068 11.585 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -5.350 -38.309 11.764 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -8.870 -40.200 10.649 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -8.795 -40.461 11.587 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -8.067 -40.573 10.232 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -10.622 -42.715 22.180 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -11.450 -42.742 22.667 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -10.872 -42.346 21.298 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -4.369 -47.144 24.523 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -4.132 -46.917 25.448 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -5.302 -46.848 24.439 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -7.680 -44.684 26.813 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -8.084 -43.913 27.261 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -6.975 -44.969 27.428 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -6.870 -45.957 24.463 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -7.296 -45.699 25.309 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -6.575 -45.104 24.075 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -3.862 -45.874 26.911 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -4.485 -45.685 27.641 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -3.620 -44.987 26.570 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -9.447 -30.710 10.862 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -9.735 -31.484 10.367 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -9.721 -29.950 10.302 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -1.580 -37.216 26.169 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -1.137 -37.908 25.643 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -0.892 -36.523 26.279 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -1.275 -48.925 25.213 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -2.014 -49.209 24.655 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -1.012 -49.743 25.700 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -8.470 -33.994 23.005 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -7.711 -34.600 22.824 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -8.949 -34.431 23.743 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -10.795 -32.437 23.956 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -9.952 -32.678 23.539 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -10.614 -31.562 24.372 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -3.423 -48.931 22.648 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -3.692 -48.276 23.326 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -4.256 -49.140 22.179 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -12.803 -34.321 17.410 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -12.963 -34.146 18.359 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -12.083 -35.001 17.415 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -12.607 -33.873 20.140 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -11.836 -34.410 20.414 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -12.978 -33.542 20.985 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -6.675 -48.191 17.204 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -6.391 -47.622 17.963 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -6.480 -49.102 17.503 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -6.930 -51.293 20.063 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -6.759 -52.237 20.113 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -6.950 -51.103 19.100 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -6.711 -50.957 17.372 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -7.263 -51.041 16.584 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -5.882 -51.437 17.139 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -10.245 -45.357 12.567 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -10.292 -45.204 11.599 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -9.328 -45.649 12.717 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -9.928 -34.941 10.900 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -10.373 -35.810 10.943 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -9.709 -34.743 11.836 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -9.064 -39.791 28.789 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -9.774 -39.196 29.040 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -8.353 -39.193 28.462 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -7.148 -38.080 27.837 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -7.458 -37.702 26.979 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -6.622 -37.352 28.243 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 0.510 -35.474 26.565 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 1.116 -35.881 27.213 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 1.073 -34.855 26.075 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -6.092 -30.036 27.785 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -5.440 -30.738 28.012 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -5.686 -29.212 28.144 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.950 -39.679 27.784 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.813 -39.212 27.842 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.290 -38.983 27.995 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -5.635 -44.737 28.714 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -5.609 -44.655 29.674 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -5.323 -43.856 28.387 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -4.760 -42.414 27.700 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -4.088 -42.625 27.017 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -4.730 -41.434 27.771 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -5.393 -36.185 28.800 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -4.560 -36.697 28.684 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -5.096 -35.285 28.960 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 0.874 -40.796 28.811 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 1.419 -41.444 28.323 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 1.501 -40.075 29.036 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -3.167 -37.647 28.316 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -2.529 -38.116 28.896 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -2.635 -37.408 27.519 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -0.015 -31.481 27.804 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 0.280 -31.591 26.880 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -0.612 -30.701 27.776 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -1.554 -39.559 29.438 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -0.666 -39.949 29.526 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -1.956 -40.053 28.703 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -10.164 -35.288 24.730 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -10.724 -36.078 24.604 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -10.794 -34.547 24.734 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -8.133 -37.013 25.506 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -8.377 -37.511 24.702 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -8.695 -36.217 25.469 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -3.764 -31.372 28.376 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -3.066 -30.720 28.539 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -3.304 -32.235 28.452 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -9.058 -38.054 23.091 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -8.910 -39.029 23.048 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -10.009 -37.969 23.321 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -8.119 -42.215 28.012 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -7.243 -42.080 28.395 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -8.639 -41.434 28.320 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -0.315 -39.374 24.992 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 0.611 -39.356 25.309 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -0.779 -39.941 25.649 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 2.552 -38.714 29.502 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 2.268 -38.496 30.420 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 2.501 -37.854 29.025 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -1.178 -40.955 26.988 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -0.470 -40.830 27.653 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -1.019 -41.858 26.640 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -3.003 -43.526 25.771 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -3.090 -43.858 24.854 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -2.034 -43.497 25.923 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -1.110 -46.631 26.888 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -1.130 -47.452 26.361 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -2.048 -46.422 27.038 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -2.007 -27.856 -16.458 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -2.704 -28.518 -16.650 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -2.368 -27.021 -16.812 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -5.132 -26.005 -18.146 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -5.932 -25.847 -18.654 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -5.447 -26.482 -17.343 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -2.960 -20.011 -12.848 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -3.588 -20.719 -12.624 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.435 -19.185 -12.603 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -2.119 -24.242 -14.969 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -1.520 -23.485 -15.146 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -2.273 -24.636 -15.858 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -3.425 -25.849 -11.535 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -3.399 -26.287 -10.655 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -2.777 -25.128 -11.463 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -2.611 -16.756 -7.754 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.211 -17.225 -8.376 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -2.969 -16.970 -6.870 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -3.980 -27.128 -9.155 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -4.192 -27.992 -9.567 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -3.605 -27.366 -8.285 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -5.644 -31.350 -12.364 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.035 -32.010 -11.964 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -6.537 -31.727 -12.205 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -5.962 -26.848 -11.823 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -5.087 -26.409 -11.758 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.185 -26.789 -12.763 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -7.153 -31.747 -16.224 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -7.190 -32.699 -16.407 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -6.887 -31.347 -17.082 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -1.926 -23.445 -12.327 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.098 -23.830 -13.216 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -1.040 -23.049 -12.411 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -0.535 -20.195 -11.565 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -1.331 -19.930 -12.083 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -0.007 -20.732 -12.195 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -5.756 -29.859 -14.751 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -5.572 -30.257 -13.875 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -6.261 -30.552 -15.224 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -4.480 -17.990 -11.815 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -4.445 -17.985 -10.836 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -4.984 -17.204 -12.037 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -4.497 -22.157 -11.928 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -5.222 -22.630 -12.352 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.708 -22.692 -12.136 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -4.552 -18.204 -9.045 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -4.473 -19.174 -9.167 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -5.232 -18.108 -8.342 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -6.411 -25.762 -9.301 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -6.508 -26.114 -10.209 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -5.536 -26.094 -9.012 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -4.326 -20.910 -9.352 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -4.790 -21.217 -10.153 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -3.392 -21.167 -9.508 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -4.884 -29.230 -10.803 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -5.376 -28.458 -11.149 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -5.149 -29.966 -11.396 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -3.222 -30.523 -8.953 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -3.280 -31.497 -8.867 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -3.824 -30.310 -9.694 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -0.463 -22.121 -15.518 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -0.873 -21.312 -15.849 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -0.049 -22.527 -16.318 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -1.883 -21.934 -10.026 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -1.998 -22.602 -10.729 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -1.383 -21.208 -10.468 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -5.886 -27.254 -15.809 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -5.245 -26.772 -15.240 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -5.920 -28.150 -15.423 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -4.122 -26.007 -14.173 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -3.775 -26.170 -13.274 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -3.481 -25.384 -14.565 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -6.215 -30.488 -18.535 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -6.810 -29.914 -19.032 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -5.982 -31.207 -19.176 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.054 -29.754 -16.965 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -4.792 -29.879 -17.599 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -4.498 -29.706 -16.094 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -5.802 -32.457 -20.324 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -5.500 -32.710 -21.200 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -6.302 -33.248 -20.004 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -3.841 -35.602 -9.813 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -3.466 -36.371 -10.279 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -3.363 -35.599 -8.946 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -3.805 -17.547 -5.393 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -4.204 -17.195 -4.587 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -4.576 -17.819 -5.942 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -6.956 -21.590 -5.775 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -7.606 -22.125 -6.262 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -7.421 -20.753 -5.586 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -3.689 -23.658 -1.591 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -3.618 -24.089 -0.713 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -3.542 -22.723 -1.407 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.282 -32.871 -5.771 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -4.050 -33.749 -5.396 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -3.734 -32.811 -6.586 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -7.361 -19.002 -4.550 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -8.081 -18.697 -3.987 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -6.569 -18.954 -3.975 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -3.829 -27.639 -1.280 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -4.206 -27.993 -0.451 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -3.639 -26.715 -1.077 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -2.554 -19.372 0.393 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -2.751 -18.588 -0.152 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -3.245 -20.006 0.151 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -8.351 -26.361 -0.740 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -8.505 -27.323 -0.723 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -9.245 -25.972 -0.681 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -9.094 -33.617 -0.216 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -9.554 -34.422 -0.549 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -8.759 -33.180 -1.032 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -5.016 -18.868 -2.926 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -5.121 -19.467 -2.151 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -4.414 -19.360 -3.522 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -3.473 -20.804 -4.126 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -3.769 -20.855 -5.069 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -4.025 -21.466 -3.670 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 0.628 -17.448 4.330 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 0.075 -18.038 3.780 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 0.193 -16.575 4.255 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -10.516 -24.658 -1.147 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -10.003 -24.388 -1.918 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -11.076 -23.902 -0.955 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -8.099 -23.927 -7.998 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -7.408 -24.449 -8.454 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -8.820 -23.888 -8.630 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.970 -22.194 -3.219 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -6.302 -22.055 -4.130 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -6.425 -23.018 -2.922 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -4.226 -23.570 3.453 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -5.022 -23.283 3.957 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -3.612 -23.870 4.134 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -6.461 -26.818 -3.896 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -7.269 -27.369 -3.857 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -5.731 -27.471 -3.911 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -2.803 -30.709 -4.746 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -1.905 -31.085 -4.610 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -3.347 -31.482 -4.991 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -0.414 -18.648 -7.687 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -0.717 -18.897 -6.793 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -1.004 -17.912 -7.940 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 0.488 -17.958 8.913 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -0.226 -18.339 9.470 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 1.310 -18.333 9.294 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -9.908 -32.664 6.237 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -10.631 -32.205 6.674 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -9.610 -33.328 6.900 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -8.564 -23.574 6.046 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -9.234 -24.219 5.808 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -8.863 -23.230 6.919 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -8.347 -28.871 -3.605 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -7.697 -29.597 -3.709 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -8.576 -28.890 -2.653 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -6.822 -19.324 8.567 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -6.301 -18.529 8.417 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -7.220 -19.523 7.686 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -8.477 -29.194 -0.818 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -7.556 -29.449 -0.636 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -9.003 -29.807 -0.271 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -8.805 -32.135 3.781 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -8.173 -31.536 4.188 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -9.333 -32.475 4.542 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -0.920 -19.138 2.650 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -1.284 -19.877 3.146 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -1.452 -19.120 1.824 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -8.257 -26.840 -7.517 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -7.571 -26.712 -8.196 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -8.375 -25.959 -7.134 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -4.326 -25.024 -4.001 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -4.272 -24.549 -3.143 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -5.152 -25.544 -3.937 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -6.127 -17.884 -6.795 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -6.444 -16.953 -6.893 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -6.750 -18.283 -6.157 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -9.527 -20.277 9.457 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -9.318 -20.064 10.389 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -9.004 -19.642 8.948 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 2.157 -22.592 6.454 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 2.099 -21.710 6.827 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 3.108 -22.726 6.297 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -1.546 -19.023 -5.129 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -1.981 -19.774 -4.678 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -2.282 -18.391 -5.293 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -4.934 -20.837 -1.045 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.351 -21.397 -1.739 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -5.174 -21.285 -0.201 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -4.469 -20.922 -6.601 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -5.389 -21.189 -6.380 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -4.462 -20.882 -7.580 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 3.720 -20.215 -8.361 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 4.419 -19.579 -8.572 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 2.952 -19.917 -8.891 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -9.400 -28.908 -6.154 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.057 -28.158 -6.690 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -9.059 -28.735 -5.254 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -9.581 -22.805 8.451 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -9.239 -23.292 9.229 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -9.592 -21.863 8.745 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -9.880 -31.588 -4.585 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -10.223 -30.687 -4.508 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -9.615 -31.661 -5.523 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -2.645 -27.170 1.847 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -3.362 -27.810 1.648 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -1.854 -27.711 1.906 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -7.369 -24.525 -2.568 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -7.126 -25.229 -3.202 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -7.623 -25.017 -1.758 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -3.464 -17.266 -1.276 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -3.971 -17.811 -1.914 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -4.086 -16.582 -1.003 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -4.067 -14.362 -7.626 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -3.489 -15.134 -7.795 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -3.456 -13.628 -7.526 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -6.603 -15.234 -7.053 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -7.194 -14.489 -7.186 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -5.709 -14.875 -7.264 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -6.941 -20.255 3.790 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -6.689 -21.155 4.077 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -6.743 -20.244 2.847 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -8.097 -19.783 6.240 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -8.987 -20.127 6.109 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -7.701 -19.792 5.339 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -6.235 -22.632 5.029 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -5.885 -22.277 5.856 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -7.104 -23.031 5.289 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -11.697 -25.717 10.940 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -12.573 -25.434 11.249 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -11.384 -26.333 11.635 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -8.583 -26.708 11.024 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -7.604 -26.726 11.116 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -8.788 -25.761 10.863 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -10.193 -28.389 9.521 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.887 -27.773 9.263 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -9.551 -27.834 10.011 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -0.651 -14.952 4.182 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -0.904 -14.801 5.126 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -1.336 -14.495 3.682 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -1.873 -21.370 8.981 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -2.177 -21.721 9.843 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -1.620 -20.456 9.176 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -1.571 -14.256 6.662 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -1.151 -14.582 7.472 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -2.290 -13.669 6.985 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -2.629 -26.339 -5.806 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -3.274 -26.277 -5.085 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -2.764 -27.236 -6.171 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -1.932 -23.731 7.603 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -1.096 -23.802 7.135 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -1.921 -22.822 7.980 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -0.509 -29.935 -8.650 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -0.316 -30.552 -7.935 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -1.470 -30.022 -8.789 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -3.225 -28.814 -6.823 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -3.250 -29.425 -7.590 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -3.063 -29.401 -6.057 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -5.359 -22.367 1.171 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -4.905 -22.569 2.011 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -5.480 -23.234 0.756 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -3.561 -24.738 0.989 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -3.755 -24.307 1.845 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -3.156 -25.596 1.243 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -4.459 -28.737 -3.669 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -3.701 -29.288 -3.957 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -4.155 -28.334 -2.820 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -0.840 -16.333 -1.411 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -0.492 -16.823 -2.187 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -1.766 -16.640 -1.331 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -0.142 -11.506 3.327 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 0.415 -10.768 3.002 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -0.968 -11.407 2.848 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -8.868 -31.272 1.132 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -9.136 -32.082 0.643 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -9.025 -31.499 2.073 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -6.325 -30.767 0.323 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -6.002 -31.621 0.009 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -7.215 -30.970 0.695 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -4.849 -28.631 1.136 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -5.526 -28.257 1.714 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -5.248 -29.473 0.814 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -8.224 -32.288 -2.442 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -7.516 -31.675 -2.724 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -8.947 -32.129 -3.089 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -3.055 -35.325 -5.144 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -2.827 -35.511 -6.085 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -2.192 -35.211 -4.712 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 0.225 -17.449 -3.661 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 0.475 -16.728 -4.253 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -0.317 -18.045 -4.221 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -5.317 -34.927 9.955 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -5.305 -35.328 9.080 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -5.485 -35.677 10.559 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -6.108 -24.320 18.932 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -6.596 -25.127 19.203 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -5.188 -24.511 19.177 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -10.784 -20.814 13.391 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -11.680 -20.471 13.305 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -10.852 -21.748 13.075 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -6.593 -17.858 19.027 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -7.078 -17.000 18.990 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -6.737 -18.251 18.140 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -10.899 -26.800 18.136 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -10.727 -26.731 17.169 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -11.862 -26.810 18.204 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -6.587 -21.731 18.090 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -6.010 -21.818 17.312 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -6.649 -22.647 18.441 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -6.982 -18.499 13.876 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -6.033 -18.641 13.679 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -7.031 -18.539 14.847 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -9.132 -20.709 15.582 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -9.627 -21.234 16.254 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -9.754 -20.646 14.826 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -12.533 -31.312 19.284 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -12.558 -32.269 19.499 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -12.978 -31.250 18.433 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -3.428 -18.583 15.987 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -4.110 -18.963 16.560 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -2.593 -19.000 16.299 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -7.109 -19.354 16.778 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -6.857 -20.105 17.352 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -7.924 -19.667 16.326 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -8.764 -23.961 10.846 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -8.973 -23.366 11.580 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -7.790 -23.861 10.724 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -7.086 -22.533 15.133 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -6.346 -22.166 14.628 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.723 -21.790 15.201 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -5.414 -17.261 21.425 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -5.676 -17.480 20.506 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -6.248 -17.352 21.938 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -8.735 -19.953 22.370 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -8.103 -19.989 21.608 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -9.163 -20.838 22.364 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -6.092 -23.657 10.554 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -5.206 -23.814 10.149 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -6.188 -22.678 10.550 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -4.285 -18.792 13.381 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -3.942 -18.718 14.297 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -3.725 -18.173 12.864 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -1.284 -19.038 10.802 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -1.738 -18.298 11.262 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -1.240 -19.738 11.467 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -7.756 -17.388 22.774 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -8.255 -18.222 22.647 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -8.436 -16.727 22.945 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -5.942 -15.574 12.814 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -5.652 -15.392 11.892 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -6.307 -16.467 12.774 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -2.780 -16.172 14.963 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -3.069 -17.028 15.357 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -2.057 -15.870 15.552 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -10.023 -29.250 19.010 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -10.399 -29.497 19.879 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -10.323 -28.323 18.873 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -7.885 -29.036 23.108 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -7.371 -28.433 22.523 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -7.342 -29.087 23.928 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -5.883 -26.302 11.304 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -5.140 -26.535 10.736 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -5.952 -25.327 11.216 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -8.686 -24.614 15.987 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -8.681 -24.522 16.965 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -8.052 -23.928 15.678 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -10.582 -26.472 15.423 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -9.890 -25.777 15.543 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -10.545 -26.680 14.464 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -10.495 -27.362 12.824 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -9.767 -27.159 12.192 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -10.352 -28.306 13.052 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -10.346 -27.863 22.433 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -10.788 -28.643 22.023 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -9.442 -28.182 22.632 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -10.419 -22.624 17.026 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -10.176 -23.264 16.341 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -10.192 -23.075 17.862 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -13.707 -23.565 11.355 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -14.598 -23.227 11.222 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -13.272 -23.456 10.474 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -12.702 -28.240 15.619 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -11.968 -27.594 15.558 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -13.428 -27.820 15.146 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -9.338 -24.548 18.705 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -8.896 -24.567 19.578 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -9.895 -25.353 18.703 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -8.652 -19.741 12.064 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -9.413 -20.063 12.596 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -8.138 -19.184 12.694 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -6.640 -20.992 10.733 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -6.614 -20.473 9.896 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -7.372 -20.579 11.243 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -11.626 -24.960 24.899 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -11.774 -25.933 24.983 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -11.288 -24.854 23.985 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -0.524 -20.156 23.879 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 0.310 -19.679 23.757 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -0.539 -20.805 23.141 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -9.018 -13.174 17.416 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -9.361 -12.990 16.538 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -8.049 -13.231 17.290 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -4.825 -21.408 12.728 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -4.627 -20.494 13.019 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -5.486 -21.293 12.014 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -2.192 -14.868 10.596 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -1.455 -14.895 9.947 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -2.074 -14.008 11.058 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -8.090 -24.916 21.153 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -7.410 -24.376 21.586 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -7.618 -25.747 20.909 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -9.589 -29.910 13.461 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -10.294 -30.453 13.863 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -9.481 -30.286 12.554 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -6.929 -20.230 20.385 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -6.731 -19.359 19.984 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -6.875 -20.856 19.633 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -4.929 -15.091 10.304 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -3.951 -15.075 10.361 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -5.135 -14.453 9.614 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -10.797 -22.263 25.146 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -10.349 -22.282 24.272 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -11.366 -23.058 25.137 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -11.193 -23.311 12.445 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -12.149 -23.301 12.233 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -10.847 -24.051 11.923 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -11.708 -27.661 24.816 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -11.372 -27.721 23.901 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -11.405 -28.485 25.229 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -12.118 -23.613 9.185 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -11.344 -23.214 8.743 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -11.767 -24.432 9.586 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -3.585 -24.286 9.766 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -3.085 -24.281 8.923 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -3.034 -23.756 10.370 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -9.965 -29.987 24.881 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -9.340 -29.602 24.243 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -9.566 -29.783 25.760 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -11.144 -30.187 21.333 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -10.400 -30.805 21.516 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -11.714 -30.677 20.697 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -9.517 -22.523 22.776 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -8.573 -22.785 22.861 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -9.964 -23.340 22.473 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -13.163 -32.670 22.594 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -12.353 -32.522 23.139 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -13.633 -31.829 22.638 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -10.459 -25.126 22.366 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -9.634 -25.045 21.837 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -10.649 -26.089 22.354 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -6.893 -23.177 23.258 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -6.934 -23.044 24.239 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -6.170 -23.839 23.138 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -4.374 -28.683 23.332 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -5.010 -28.249 22.721 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -4.926 -28.955 24.096 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -5.501 -21.229 27.481 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -6.055 -20.508 27.848 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -4.598 -21.005 27.767 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.765 -29.346 27.671 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -1.399 -28.439 27.672 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -2.595 -29.263 27.187 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -10.030 -11.617 27.279 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -10.812 -11.956 26.842 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -9.406 -11.431 26.547 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -7.761 -15.382 18.851 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -7.123 -14.844 18.339 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -8.623 -15.006 18.617 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -11.623 -30.734 15.190 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -10.883 -30.700 15.826 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -12.127 -29.908 15.364 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -8.763 -31.446 21.845 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -8.267 -30.745 22.307 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -8.400 -32.277 22.205 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -9.740 -22.572 31.379 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -9.984 -23.402 30.901 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -9.115 -22.865 32.051 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -7.019 -22.878 25.957 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -7.831 -22.909 26.494 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -6.397 -22.327 26.493 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -7.665 -25.011 28.570 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -6.694 -24.840 28.584 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -8.041 -24.216 28.153 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -1.884 -33.366 28.561 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -1.122 -32.761 28.445 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -1.600 -34.185 28.141 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -2.902 -18.642 26.459 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -2.728 -17.729 26.776 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -2.927 -19.180 27.280 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -9.360 -10.420 29.647 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -9.503 -11.178 30.209 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -9.589 -10.740 28.750 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -8.621 -29.112 27.060 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -7.863 -29.570 27.478 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -8.298 -28.204 26.910 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -10.911 -20.128 31.734 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -11.554 -20.075 31.021 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -10.560 -21.042 31.673 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -7.406 -26.652 26.367 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -7.480 -26.204 27.237 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -7.351 -25.926 25.733 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -10.014 -24.850 29.987 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -9.138 -25.133 29.653 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -10.625 -25.058 29.257 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -8.930 -18.327 32.164 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -9.031 -18.182 33.107 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -9.647 -18.964 31.941 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -3.553 -26.325 26.357 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -2.640 -26.384 26.711 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -3.428 -26.307 25.384 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -3.091 -20.343 28.581 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -2.806 -21.119 29.082 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -3.543 -19.772 29.254 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -7.247 -19.330 28.427 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -7.964 -19.932 28.747 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -7.142 -18.677 29.154 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -3.774 -16.006 29.832 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -3.121 -15.426 30.292 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -3.430 -16.068 28.915 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -9.120 -21.109 29.119 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -9.259 -21.847 28.496 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -9.296 -21.502 29.995 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -7.379 -13.882 24.983 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -7.414 -14.677 25.551 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -7.513 -14.224 24.075 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -7.036 -17.504 30.428 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -6.751 -16.613 30.735 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -7.733 -17.769 31.076 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -5.980 -15.115 31.205 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -5.736 -14.253 31.547 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -5.177 -15.422 30.732 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -9.976 -19.592 24.877 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -9.797 -19.724 23.929 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -10.418 -20.418 25.155 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -7.845 -18.376 25.985 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -8.710 -18.714 25.649 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -7.723 -18.841 26.848 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -9.424 -23.151 27.317 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -10.100 -23.802 27.604 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -9.863 -22.664 26.581 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -11.599 -24.862 27.667 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -11.609 -24.904 26.685 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -12.468 -25.190 27.925 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -1.067 -21.400 26.358 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -1.661 -20.818 26.852 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -0.880 -20.908 25.530 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -4.953 -24.824 28.296 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -4.605 -25.189 27.458 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -4.193 -24.332 28.672 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -4.898 -27.686 28.344 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -4.432 -27.315 27.569 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -5.178 -26.905 28.844 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -5.061 -25.101 22.831 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -4.209 -25.426 23.187 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -5.485 -25.907 22.451 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -2.830 -26.542 23.713 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -1.934 -26.722 23.372 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -3.310 -27.396 23.589 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -6.248 -28.911 25.280 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -6.182 -29.483 26.076 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -6.533 -28.041 25.637 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -7.026 -15.938 26.834 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -7.366 -16.798 26.495 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -7.221 -15.965 27.783 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 0.830 -14.255 -0.891 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 0.828 -14.260 0.091 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 0.105 -14.882 -1.131 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 2.640 -11.970 -1.317 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 1.967 -12.667 -1.209 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 3.113 -11.965 -0.469 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -9.064 -8.113 19.568 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -10.019 -8.098 19.685 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -8.930 -7.822 18.634 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -7.008 -7.498 14.959 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -7.169 -7.164 14.073 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -6.098 -7.864 14.914 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -3.717 -13.019 18.470 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -3.453 -12.494 19.247 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -3.832 -13.910 18.818 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -2.758 -12.631 21.274 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -2.236 -12.345 22.058 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -3.685 -12.672 21.608 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -2.169 -2.372 23.120 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -1.547 -2.116 22.408 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -1.591 -2.747 23.820 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -5.649 -6.674 23.635 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -4.950 -6.045 23.337 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -6.289 -6.683 22.900 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -3.560 -12.656 7.767 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -4.079 -11.988 7.313 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -3.637 -12.415 8.719 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -4.567 -10.791 25.766 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -4.452 -10.136 26.492 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -5.175 -10.347 25.143 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -7.664 -14.191 22.201 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -7.746 -14.612 21.331 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -8.107 -13.318 22.090 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -6.381 -9.408 24.222 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -7.210 -9.326 23.706 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -5.979 -8.518 24.167 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -8.836 -7.375 16.968 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -9.644 -7.086 16.533 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -8.179 -7.442 16.233 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -7.532 -10.304 18.750 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -8.144 -9.690 19.196 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -8.021 -11.135 18.702 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -3.693 -4.886 22.996 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -2.795 -5.275 22.948 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -3.534 -3.928 22.963 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -2.360 -6.477 13.657 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -2.245 -5.886 12.906 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -2.504 -5.871 14.423 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 2.611 -6.772 21.633 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 2.925 -6.702 20.701 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 2.197 -5.901 21.811 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -7.409 -6.826 21.379 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -7.911 -7.306 20.683 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -6.800 -6.264 20.883 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -8.462 -11.548 22.406 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -8.581 -10.603 22.198 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -8.532 -11.583 23.381 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -5.321 -12.627 22.267 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -5.759 -11.779 22.428 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -6.051 -13.274 22.266 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -6.137 -7.956 18.210 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -6.870 -7.666 17.650 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -6.383 -8.869 18.470 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -4.353 -6.242 26.101 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -4.917 -6.260 25.299 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -4.133 -5.294 26.220 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -8.676 -8.791 22.853 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -8.280 -8.033 22.371 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -9.351 -8.390 23.413 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -4.750 -14.575 25.984 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -5.097 -13.667 25.983 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -5.491 -15.112 26.343 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -8.257 -11.342 25.169 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -7.480 -10.751 25.154 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -7.871 -12.248 25.222 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -2.993 -5.008 15.853 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -3.420 -4.249 16.260 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -3.255 -5.766 16.422 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -1.055 -5.552 23.333 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -1.062 -4.901 24.071 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -0.178 -5.438 22.927 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -3.753 -7.353 17.041 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -4.538 -7.520 17.615 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -3.985 -7.785 16.193 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -1.106 -3.747 25.301 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -1.864 -3.755 25.924 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -0.327 -3.610 25.871 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -1.967 -7.273 25.333 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -2.861 -6.946 25.568 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -1.721 -6.753 24.542 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -4.369 -8.268 14.482 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -4.099 -9.167 14.199 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -3.705 -7.678 14.068 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 1.591 -4.595 22.877 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 1.227 -3.742 23.189 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 2.564 -4.477 22.951 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -2.733 -16.018 27.275 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -1.848 -15.664 27.042 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -3.359 -15.402 26.842 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -3.152 -12.518 15.817 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -3.289 -12.597 16.783 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -3.787 -13.158 15.434 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.791 -12.162 26.199 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 1.042 -11.970 26.802 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 1.372 -12.644 25.446 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -3.926 -11.888 10.366 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -3.120 -12.101 10.881 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -4.566 -11.621 11.032 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -6.306 -13.640 17.264 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -5.892 -13.964 16.429 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -5.614 -13.093 17.673 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -4.937 -14.493 15.077 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -5.467 -14.739 14.279 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -4.173 -15.107 15.046 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -4.470 -18.638 30.171 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -5.417 -18.496 30.356 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -4.105 -17.732 30.103 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 -2.010 -14.265 30.874 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 -1.473 -13.909 31.584 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 -1.492 -14.064 30.058 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -3.496 -3.627 26.683 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -3.842 -3.407 27.554 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -3.623 -2.800 26.158 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -0.407 -11.194 27.488 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -0.558 -10.232 27.513 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -1.140 -11.539 26.922 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -2.215 -12.130 25.730 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -3.078 -11.661 25.639 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -1.816 -12.084 24.830 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -0.484 -13.688 28.733 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -0.295 -14.244 27.955 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -0.422 -12.774 28.395 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 14.823 -57.176 -11.637 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 15.016 -58.087 -11.401 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 13.939 -57.009 -11.246 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 10.129 -53.259 -16.021 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 9.590 -53.786 -16.654 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 9.714 -53.438 -15.149 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 5.018 -52.631 -11.603 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 4.848 -51.908 -12.232 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 5.984 -52.725 -11.607 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 3.257 -54.121 -18.001 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 2.638 -54.789 -18.302 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 2.688 -53.432 -17.595 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 14.560 -54.815 -13.076 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 14.624 -55.726 -12.713 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 13.622 -54.732 -13.349 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 8.392 -54.465 -17.770 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 8.317 -55.017 -18.550 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 7.469 -54.174 -17.590 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 1.614 -55.306 -13.981 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 1.375 -54.352 -14.053 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 2.553 -55.295 -13.723 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 11.116 -58.773 -15.402 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 10.861 -58.720 -16.327 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 11.114 -59.714 -15.207 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 11.757 -57.084 -13.277 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 11.755 -56.192 -13.667 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.508 -57.672 -14.020 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 5.832 -53.718 -17.281 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 4.937 -53.888 -17.667 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 5.696 -53.799 -16.328 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 1.743 -52.215 -16.668 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 2.546 -51.667 -16.528 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 1.406 -52.387 -15.757 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 11.846 -54.329 -13.861 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 10.991 -54.170 -13.411 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 11.725 -53.930 -14.741 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 2.805 -53.285 -9.946 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 3.622 -52.949 -10.368 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 2.088 -53.046 -10.590 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 0.217 -57.088 -10.533 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 1.187 -56.983 -10.583 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 -0.103 -56.761 -11.406 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 12.328 -56.490 -10.704 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 12.002 -56.748 -11.600 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 11.540 -56.592 -10.124 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 14.082 -54.755 -9.472 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 13.966 -53.920 -9.971 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 13.474 -55.384 -9.917 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 15.653 -57.415 -5.777 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 16.536 -57.146 -6.106 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 15.840 -58.165 -5.174 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 15.648 -52.322 -13.726 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 15.209 -53.196 -13.752 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 16.295 -52.406 -13.014 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 2.874 -55.987 -10.411 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 2.715 -55.068 -10.110 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 2.799 -56.524 -9.589 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 6.909 -55.147 -12.409 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 6.872 -55.220 -11.439 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 5.979 -55.245 -12.691 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 5.492 -50.857 -14.586 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 5.387 -49.896 -14.417 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 4.936 -51.016 -15.370 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 6.396 -51.071 -17.905 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 6.296 -52.039 -17.827 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 7.316 -50.902 -17.626 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 9.139 -50.901 -17.120 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 9.787 -50.788 -17.824 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 9.469 -51.677 -16.613 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 12.847 -50.050 -13.003 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 13.045 -49.852 -12.055 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 13.712 -49.992 -13.444 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 1.329 -49.538 -17.826 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 0.800 -49.257 -17.053 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 1.413 -50.503 -17.718 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 12.336 -53.316 -7.630 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 13.040 -53.997 -7.634 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 12.627 -52.678 -6.944 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 13.627 -58.864 -2.156 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 13.235 -59.543 -1.574 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 13.460 -58.025 -1.682 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 10.276 -56.401 0.456 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 10.585 -57.250 0.855 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 9.720 -56.005 1.148 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 1.690 -58.176 4.320 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 2.060 -58.026 3.423 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 1.822 -57.324 4.782 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 1.228 -54.930 -1.089 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 1.495 -55.050 -0.143 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 0.610 -54.188 -1.069 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 11.309 -58.597 1.646 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 11.859 -58.803 2.424 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 11.679 -59.168 0.937 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 5.116 -59.710 4.179 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 5.070 -59.273 3.313 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 5.687 -59.116 4.711 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 11.263 -62.610 0.334 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 10.397 -62.619 -0.091 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 11.331 -63.472 0.754 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 8.323 -56.596 2.441 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 7.738 -56.420 1.665 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 8.628 -57.503 2.306 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 4.571 -53.493 -5.541 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 4.405 -53.369 -6.482 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 3.676 -53.622 -5.158 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 11.390 -56.322 -2.889 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 11.895 -56.441 -2.054 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 10.498 -56.666 -2.680 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 15.805 -58.654 2.817 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 15.688 -57.686 2.963 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 16.692 -58.845 3.189 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 12.916 -56.720 -0.617 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 13.777 -56.609 -0.143 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 12.245 -56.528 0.061 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 13.711 -60.621 5.978 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 12.828 -60.968 6.228 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 13.607 -60.359 5.040 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 4.494 -57.969 -0.502 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 4.063 -57.412 -1.182 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 5.301 -57.461 -0.259 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 5.492 -57.285 2.611 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 5.876 -56.915 1.782 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.166 -57.102 3.286 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 2.061 -55.943 5.915 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 2.499 -56.567 6.530 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 2.680 -55.196 5.858 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 4.404 -60.344 -1.924 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 4.068 -59.873 -2.715 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 4.490 -59.637 -1.251 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 14.393 -55.109 -6.774 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 14.510 -55.101 -7.750 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 14.787 -55.960 -6.492 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 16.056 -59.873 7.335 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 15.651 -59.405 8.084 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 15.297 -60.296 6.878 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 10.981 -60.713 6.490 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 10.212 -61.331 6.515 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 10.708 -60.026 5.872 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 3.357 -62.546 0.749 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 4.206 -62.457 0.268 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 3.583 -63.061 1.530 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 5.663 -62.542 -0.806 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 5.227 -63.162 -1.412 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 5.493 -61.664 -1.202 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 8.534 -61.911 6.451 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 7.881 -62.608 6.330 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 8.018 -61.159 6.811 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 12.708 -60.326 0.016 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 13.596 -60.498 0.400 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 12.235 -61.183 0.111 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 2.527 -60.705 4.084 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 2.137 -59.812 4.227 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 3.492 -60.546 4.114 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 9.060 -56.435 5.495 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 9.967 -56.226 5.826 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 9.038 -56.053 4.600 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 3.648 -57.720 7.279 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 4.268 -57.067 6.860 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 4.109 -57.989 8.104 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 8.898 -56.981 -1.861 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 7.978 -56.950 -1.555 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 9.420 -56.740 -1.065 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 8.211 -57.755 -7.325 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 8.230 -57.964 -6.373 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 7.793 -56.879 -7.365 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 6.770 -57.834 5.328 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 6.155 -57.134 5.665 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 7.656 -57.397 5.342 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 3.410 -56.147 -2.295 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 4.232 -55.672 -2.006 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 2.676 -55.605 -1.933 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 8.825 -53.622 -4.524 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 8.340 -52.972 -5.077 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 8.118 -54.135 -4.090 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 5.198 -61.451 6.347 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 5.124 -60.983 5.493 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 5.810 -60.895 6.869 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 11.612 -54.178 -4.539 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 11.532 -54.980 -3.972 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 10.710 -53.795 -4.536 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 16.299 -51.715 -10.402 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 16.564 -52.634 -10.612 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 15.324 -51.735 -10.459 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 -0.214 -63.572 2.941 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 0.133 -63.558 3.853 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 0.271 -62.850 2.492 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 14.067 -56.325 -3.764 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 13.154 -56.642 -3.611 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 14.373 -56.839 -4.540 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 6.586 -54.842 -9.595 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 5.631 -54.959 -9.517 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 6.915 -54.939 -8.669 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 7.460 -55.110 -7.028 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 7.150 -54.990 -6.114 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 8.424 -54.911 -6.982 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 3.639 -58.402 -3.759 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 3.518 -57.561 -3.258 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 4.352 -58.206 -4.380 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 9.228 -53.982 -9.942 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 9.626 -54.871 -9.866 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 8.268 -54.156 -9.965 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 6.963 -52.023 -5.913 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 6.648 -51.206 -6.336 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 6.146 -52.459 -5.601 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 15.344 -60.476 0.834 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 15.763 -60.280 -0.025 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 15.523 -59.677 1.379 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 1.546 -52.694 -7.554 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 2.045 -53.041 -8.322 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 0.871 -52.105 -7.958 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 6.410 -55.032 -4.112 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 5.685 -54.498 -4.502 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 6.166 -55.105 -3.155 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 10.206 -52.985 8.213 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 9.404 -52.488 8.506 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 9.861 -53.877 7.999 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 10.222 -54.897 -6.946 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 10.939 -54.283 -7.215 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 10.444 -55.127 -6.029 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 10.064 -56.554 -9.115 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 10.200 -56.038 -8.293 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 9.440 -57.257 -8.849 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 -0.641 -56.115 7.459 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 0.127 -55.995 6.879 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 -0.420 -56.906 7.991 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 7.918 -57.302 -4.529 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 7.319 -56.542 -4.393 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 8.399 -57.378 -3.686 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 1.744 -59.674 7.231 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 1.291 -59.639 6.375 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 2.448 -58.990 7.160 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 11.387 -55.749 6.576 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 11.775 -55.638 7.464 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 12.151 -55.958 6.007 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 7.086 -59.719 7.282 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 7.366 -59.189 8.059 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 7.008 -59.059 6.561 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 13.229 -58.118 6.952 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 13.398 -57.519 6.190 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 13.390 -59.015 6.591 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 0.070 -55.759 -4.573 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 0.830 -55.151 -4.506 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 -0.543 -55.302 -5.184 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 14.549 -53.958 9.578 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 14.636 -54.361 8.684 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 15.057 -54.558 10.158 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 17.033 -54.290 -5.127 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 17.866 -54.124 -4.642 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 17.259 -55.014 -5.751 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 16.492 -56.758 -2.516 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 15.589 -56.452 -2.716 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 16.545 -57.630 -2.951 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 15.891 -59.203 -3.613 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 16.314 -59.854 -3.016 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 14.990 -59.080 -3.229 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 0.053 -58.193 0.832 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 -0.037 -57.948 -0.107 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 1.009 -58.206 0.986 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 12.633 -52.762 6.670 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 11.734 -52.822 7.049 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 12.641 -51.917 6.208 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 18.687 -59.925 6.683 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 17.742 -59.826 6.961 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 18.961 -60.759 7.080 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 15.326 -56.502 0.620 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 16.200 -56.896 0.429 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 15.379 -56.247 1.565 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 13.235 -59.094 3.706 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 13.238 -58.198 4.101 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 14.110 -59.158 3.262 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 2.780 -62.295 7.367 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 3.685 -62.150 7.022 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 2.415 -61.395 7.465 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 3.055 -58.157 1.878 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 3.855 -57.773 2.303 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 3.320 -58.268 0.944 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 1.846 -53.600 -5.011 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 1.468 -52.855 -4.532 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 1.671 -53.389 -5.960 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 10.072 -55.451 12.993 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 10.506 -56.329 13.096 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 10.820 -54.828 12.881 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 13.631 -59.414 13.796 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 14.250 -59.075 13.101 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 13.453 -60.321 13.529 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 4.588 -53.518 18.154 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 3.806 -53.477 18.734 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 4.496 -52.720 17.582 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 1.614 -57.235 18.221 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 2.423 -57.377 17.676 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 1.571 -56.264 18.337 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 5.740 -55.900 17.770 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 5.887 -56.234 18.681 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 5.316 -55.022 17.908 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 7.004 -59.101 12.370 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 6.466 -59.681 11.799 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 7.860 -59.030 11.903 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 8.300 -55.302 10.873 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 8.676 -55.163 9.982 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 9.078 -55.332 11.464 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 5.853 -56.113 20.505 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 5.886 -56.807 21.170 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 5.155 -55.501 20.830 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 1.372 -54.436 18.662 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 1.837 -53.768 19.203 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 1.559 -54.154 17.724 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 14.719 -52.909 20.134 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 14.084 -52.968 20.873 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 14.527 -52.047 19.722 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 10.077 -52.955 16.173 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 10.288 -52.630 15.266 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 9.205 -53.387 16.077 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 13.696 -55.316 14.509 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 12.870 -55.416 15.039 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 14.416 -55.479 15.165 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 9.503 -58.773 11.028 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 10.058 -58.487 11.781 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 10.154 -59.012 10.328 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 7.743 -57.834 9.164 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 8.385 -58.136 9.846 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 8.057 -56.942 8.921 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 5.746 -57.839 14.411 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 6.206 -58.483 13.823 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 6.370 -57.085 14.465 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 4.304 -54.439 15.271 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 4.941 -54.576 15.982 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 3.550 -53.971 15.710 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 11.438 -55.331 16.022 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 11.125 -54.417 16.175 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 10.729 -55.883 16.366 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 12.716 -56.971 10.733 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 13.281 -57.492 10.128 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 12.313 -56.282 10.154 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 -0.096 -58.396 8.930 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 0.626 -58.938 8.550 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 0.079 -58.401 9.893 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 1.088 -55.143 21.311 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 1.004 -55.091 20.340 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 0.382 -55.783 21.577 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 5.757 -53.091 22.789 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 5.040 -53.734 22.634 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 6.014 -52.802 21.886 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 11.094 -50.598 9.650 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 11.948 -50.207 9.383 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 10.993 -51.372 9.074 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 10.703 -51.924 13.704 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 10.386 -51.274 13.040 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 11.250 -52.553 13.184 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 3.758 -54.532 21.451 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 3.499 -53.684 21.038 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 2.902 -54.980 21.623 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.266 -59.199 8.894 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 11.867 -58.599 8.423 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 11.119 -59.926 8.263 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 4.936 -60.404 10.945 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 4.136 -60.141 11.460 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 4.683 -61.231 10.518 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 10.839 -50.303 25.812 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 10.262 -49.584 25.488 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 11.734 -49.911 25.806 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 3.881 -57.522 16.627 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 4.322 -57.870 15.831 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 4.565 -56.963 17.048 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 8.442 -53.420 23.383 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 7.508 -53.165 23.229 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 8.380 -54.185 23.994 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 12.326 -53.866 12.591 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 12.950 -53.829 11.852 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 12.832 -54.309 13.311 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 2.735 -59.416 12.171 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 1.913 -59.219 11.684 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 2.471 -59.352 13.114 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 7.529 -55.729 14.060 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 7.679 -55.265 14.909 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 8.412 -55.728 13.631 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 8.119 -54.066 19.235 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 7.609 -53.311 19.598 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 7.867 -54.812 19.798 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 7.851 -54.634 16.591 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 7.121 -55.256 16.791 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 8.088 -54.265 17.471 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 14.193 -54.968 7.028 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 14.196 -55.483 6.191 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 13.626 -54.188 6.828 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 10.359 -52.326 21.686 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 9.711 -52.738 22.304 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 11.230 -52.563 22.059 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 15.437 -51.357 10.130 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 15.068 -52.241 9.932 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 14.771 -50.735 9.781 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.405 -57.858 12.903 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 11.922 -57.586 12.110 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 12.046 -58.359 13.445 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 2.771 -52.360 19.906 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 1.902 -51.905 20.012 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 3.426 -51.633 19.956 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 2.230 -55.884 14.167 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 2.886 -55.389 14.702 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 2.739 -56.177 13.383 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 8.320 -55.111 25.564 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 7.970 -55.451 26.390 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 8.924 -54.384 25.839 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 11.997 -54.827 9.277 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 12.876 -54.409 9.400 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 11.412 -54.084 9.039 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 4.422 -55.296 9.272 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 4.905 -54.902 8.505 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 4.407 -56.248 9.079 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 8.602 -55.310 8.121 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 7.695 -54.923 8.008 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 8.790 -55.727 7.256 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 4.056 -56.974 12.499 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 3.631 -57.744 12.076 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 4.597 -57.369 13.221 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 5.072 -58.060 9.542 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 6.038 -57.914 9.433 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 5.013 -58.905 10.036 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 14.787 -57.963 9.135 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 14.310 -57.862 8.279 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 15.406 -57.195 9.161 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 17.318 -52.121 20.299 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 16.440 -52.559 20.234 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 17.631 -52.086 19.391 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 13.085 -52.382 22.333 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 13.224 -51.435 22.108 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 13.426 -52.465 23.230 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 15.291 -56.108 16.551 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 15.279 -55.941 17.497 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 15.153 -57.081 16.475 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 14.807 -58.733 16.198 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 15.268 -59.566 16.313 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 14.282 -58.859 15.380 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 0.353 -58.907 20.013 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 0.784 -58.285 19.389 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 0.964 -59.643 20.074 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 12.200 -49.423 13.896 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 12.040 -50.327 14.205 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 11.531 -49.293 13.192 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 6.143 -52.413 20.154 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 5.686 -51.549 20.250 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 5.727 -52.815 19.364 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 7.859 -48.475 22.570 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 8.090 -47.538 22.377 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 7.505 -48.807 21.723 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 10.468 -47.450 20.476 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 11.301 -47.186 20.919 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 9.782 -46.896 20.906 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 2.244 -48.805 20.313 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 1.282 -48.743 20.427 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 2.392 -48.537 19.374 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 4.592 -50.202 20.410 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 3.788 -49.639 20.375 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 5.331 -49.563 20.380 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 16.328 -49.975 12.404 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 16.057 -50.545 11.651 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 16.851 -49.277 11.995 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 9.790 -52.817 25.835 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 9.461 -52.704 24.928 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 10.223 -51.960 26.040 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 7.456 -43.479 -16.949 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 6.575 -43.849 -16.826 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 8.059 -44.251 -16.824 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 -2.004 -43.322 -21.032 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 -1.661 -43.044 -21.911 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 -1.411 -44.066 -20.770 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 8.840 -33.306 -15.856 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 8.415 -34.161 -16.087 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 9.782 -33.537 -15.709 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 7.294 -35.546 -16.696 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 6.886 -35.233 -17.531 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 7.291 -36.518 -16.778 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 15.251 -49.766 -14.591 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 15.719 -49.342 -13.826 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 15.378 -50.733 -14.442 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 11.437 -45.795 -15.252 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 12.157 -45.171 -15.030 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 11.896 -46.658 -15.351 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 3.443 -41.780 -17.512 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 4.185 -41.369 -17.016 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 3.504 -41.387 -18.398 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 3.048 -40.327 -19.932 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 2.580 -40.952 -20.521 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 2.336 -39.977 -19.346 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 13.682 -46.624 -12.665 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 13.529 -47.185 -13.453 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 13.811 -47.273 -11.926 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 6.499 -49.297 -11.868 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 5.931 -48.767 -11.271 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 6.855 -48.643 -12.500 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 10.676 -43.333 -12.054 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 10.703 -42.394 -12.343 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 11.554 -43.490 -11.685 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 0.929 -47.587 -19.759 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 1.263 -48.066 -20.521 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 1.013 -48.228 -19.020 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 -2.314 -37.591 -23.892 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 -3.195 -37.232 -24.008 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 -2.042 -37.281 -23.001 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 13.428 -47.731 -15.186 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 14.019 -47.107 -15.670 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 13.942 -48.563 -15.149 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 16.201 -39.087 -12.962 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 15.890 -39.854 -13.489 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 16.640 -39.491 -12.191 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 15.304 -46.087 -16.257 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 15.846 -45.368 -15.888 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 15.949 -46.809 -16.435 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 12.622 -41.953 -14.949 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 12.877 -42.860 -14.651 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 12.365 -42.071 -15.870 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 5.319 -38.746 -19.677 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 5.914 -39.187 -20.293 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 4.475 -39.247 -19.760 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 5.172 -34.032 -15.528 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 5.874 -34.676 -15.739 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 5.445 -33.219 -15.997 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 7.063 -38.608 -17.469 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 6.404 -38.551 -18.187 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 7.579 -39.417 -17.682 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 11.674 -33.638 -15.681 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 12.246 -33.942 -14.938 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 12.169 -33.878 -16.470 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 -1.973 -40.854 -17.754 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 -2.488 -41.635 -18.052 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 -1.290 -40.748 -18.433 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 15.443 -36.624 -13.965 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 16.211 -36.582 -14.539 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 15.560 -37.469 -13.473 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 0.437 -39.129 -21.588 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 1.241 -38.764 -21.200 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 0.436 -40.066 -21.294 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 3.916 -50.600 -16.872 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 4.778 -50.665 -17.347 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 3.541 -49.759 -17.176 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 10.353 -51.264 -11.997 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 9.531 -51.186 -12.511 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 11.006 -50.759 -12.511 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 5.478 -40.551 -16.165 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 6.082 -41.098 -15.650 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 6.022 -39.790 -16.446 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 0.853 -41.809 -21.006 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 0.371 -42.217 -21.753 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 0.624 -42.367 -20.243 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 -3.024 -43.301 -18.483 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 -2.561 -44.028 -18.029 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 -2.718 -43.365 -19.415 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.006 -45.712 -16.563 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 9.892 -45.636 -16.153 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 8.787 -46.662 -16.477 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 -0.210 -45.086 -19.999 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 0.162 -45.997 -19.950 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 0.293 -44.587 -19.333 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 8.914 -48.413 -15.834 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 8.814 -49.262 -16.311 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 9.616 -48.596 -15.166 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 14.714 -32.020 -12.401 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 14.698 -32.480 -13.253 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 14.195 -32.605 -11.807 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 7.597 -47.450 -13.666 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 7.935 -47.819 -14.515 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 8.374 -46.980 -13.290 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 15.274 -41.325 -14.278 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 15.600 -42.233 -14.386 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 14.328 -41.382 -14.502 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 10.816 -33.294 -10.046 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 10.369 -34.130 -10.313 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 10.125 -32.809 -9.548 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 16.386 -43.989 -14.716 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 16.351 -44.438 -13.831 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 17.276 -43.617 -14.755 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 11.125 -40.753 -12.979 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 11.709 -41.167 -13.656 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 10.891 -39.899 -13.363 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 4.172 -36.428 -18.596 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 4.664 -37.162 -19.014 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 4.809 -35.687 -18.586 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 8.156 -41.077 -18.065 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 8.719 -41.428 -18.759 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 7.828 -41.879 -17.593 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 5.876 -34.204 -18.671 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 5.995 -33.428 -18.097 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 5.447 -33.842 -19.472 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 11.271 -39.329 -10.509 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 11.993 -39.862 -10.131 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 11.058 -39.782 -11.343 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 11.778 -30.471 -10.278 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 11.492 -31.396 -10.184 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 11.970 -30.182 -9.363 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 10.613 -48.735 -13.737 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 11.509 -49.111 -13.594 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 10.609 -47.919 -13.206 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 9.930 -46.083 -12.946 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 10.380 -45.957 -13.809 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 10.114 -45.260 -12.462 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 5.008 -48.125 -14.425 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 4.431 -47.448 -13.995 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 5.910 -47.802 -14.263 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 -1.362 -36.989 -21.369 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 -1.238 -36.743 -20.434 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 -0.807 -37.788 -21.478 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 10.622 -37.234 -8.776 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 11.350 -37.292 -8.120 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 10.816 -37.960 -9.411 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 6.267 -45.367 -12.362 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 6.661 -46.054 -12.927 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 5.296 -45.487 -12.484 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 7.579 -51.503 -12.945 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 6.952 -51.454 -13.704 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 7.314 -50.744 -12.376 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 8.156 -43.919 -10.920 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 8.912 -43.676 -11.484 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 7.496 -44.291 -11.546 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 9.005 -53.773 -13.595 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 8.574 -52.940 -13.308 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 8.409 -54.475 -13.257 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 -0.141 -33.975 -19.813 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 -0.113 -34.058 -20.771 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 -0.407 -34.868 -19.502 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 -0.549 -36.420 -18.707 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 -1.217 -36.947 -18.206 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 0.296 -36.612 -18.250 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 15.526 -40.527 -8.715 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 16.176 -40.431 -9.448 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 14.684 -40.714 -9.166 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 13.604 -34.488 -13.873 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 14.228 -35.246 -13.949 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 13.413 -34.433 -12.917 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 17.490 -40.510 -10.685 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 18.189 -39.993 -10.219 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 17.815 -41.431 -10.654 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 19.336 -39.238 -9.078 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 19.594 -39.657 -8.234 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 19.382 -38.278 -8.893 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 16.792 -48.360 -16.422 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 16.237 -48.907 -15.829 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 17.580 -48.890 -16.565 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 13.579 -44.387 -14.270 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 14.483 -44.407 -14.637 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 13.596 -45.071 -13.560 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 0.368 -43.080 -18.171 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 -0.216 -43.596 -17.592 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 0.820 -42.463 -17.566 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 10.525 -28.322 -15.290 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 11.067 -27.868 -14.612 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 10.968 -29.197 -15.406 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 13.589 -52.437 -10.913 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 13.303 -51.508 -10.727 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 13.293 -52.598 -11.822 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 9.212 -35.538 -10.385 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 8.479 -36.063 -10.720 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 9.703 -36.157 -9.798 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 11.393 -30.803 -15.947 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 10.838 -30.946 -16.737 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 11.612 -31.702 -15.646 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 1.055 -39.502 -18.292 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 1.205 -38.613 -17.905 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 1.005 -40.094 -17.519 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 1.824 -36.981 -17.322 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 2.648 -36.840 -17.849 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 1.969 -36.454 -16.517 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 2.483 -34.778 -15.311 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 3.434 -34.564 -15.444 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 2.027 -34.290 -16.018 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 13.263 -33.947 -11.077 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 12.371 -33.668 -10.765 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 13.557 -34.585 -10.409 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 13.284 -51.219 -6.176 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 14.237 -51.475 -6.149 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 13.283 -50.374 -6.636 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 16.925 -36.728 -5.604 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 16.227 -36.621 -4.911 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 16.553 -37.418 -6.204 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 12.294 -37.316 -4.165 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 11.365 -37.171 -3.889 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 12.655 -37.925 -3.464 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 16.221 -34.351 -6.838 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 16.459 -35.184 -6.368 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 15.986 -33.730 -6.121 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 12.648 -37.294 -6.919 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 12.558 -37.296 -5.936 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 13.068 -36.431 -7.122 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 1.304 -32.425 -2.653 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 0.707 -32.041 -3.319 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 2.175 -32.034 -2.858 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 21.859 -51.984 8.434 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 21.318 -52.386 7.723 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 22.343 -51.263 7.982 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 14.825 -36.268 -4.030 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 13.934 -36.636 -4.206 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 14.821 -36.095 -3.062 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 15.008 -45.360 21.928 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 15.647 -45.366 21.182 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 14.707 -44.430 21.976 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 16.622 -44.963 19.720 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 16.121 -44.122 19.653 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 17.565 -44.672 19.764 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 9.788 -39.424 21.974 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 9.554 -39.532 21.030 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 9.757 -38.454 22.121 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 16.619 -40.269 18.848 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 17.429 -40.661 18.452 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 16.196 -39.801 18.098 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 13.685 -42.750 22.110 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 13.297 -41.881 22.349 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 13.169 -43.390 22.645 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 13.621 -49.285 9.479 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 13.329 -48.825 10.278 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 14.301 -48.688 9.098 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 14.490 -36.506 26.415 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 14.403 -37.425 26.075 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 15.179 -36.574 27.117 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 14.519 -44.212 25.628 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 14.900 -45.073 25.351 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 15.220 -43.793 26.131 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 9.703 -43.969 23.229 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 9.411 -43.037 23.334 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 10.659 -43.946 23.443 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 15.315 -32.152 23.292 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 15.489 -32.805 23.997 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 14.427 -31.805 23.504 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 15.583 -35.796 20.695 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 16.186 -36.526 20.912 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 15.008 -35.716 21.484 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 18.543 -36.209 22.309 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 18.250 -36.929 21.710 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 18.249 -36.492 23.180 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 0.433 -47.686 23.433 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 -0.027 -48.128 24.182 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 1.325 -48.087 23.429 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 12.901 -47.157 21.776 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 12.582 -47.091 22.706 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 13.634 -46.505 21.730 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 2.705 -28.707 25.046 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 2.820 -29.196 25.891 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 2.707 -29.407 24.364 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 7.442 -33.957 23.048 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 8.300 -34.206 22.625 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 7.222 -34.728 23.605 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 9.057 -31.751 22.969 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 8.298 -32.333 23.186 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 9.640 -32.319 22.439 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 5.705 -38.723 23.955 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 4.846 -38.528 23.514 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 5.868 -39.671 23.748 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 9.252 -39.953 26.797 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 8.325 -39.648 26.777 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 9.183 -40.927 26.806 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 12.375 -44.366 23.935 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 12.170 -45.310 24.109 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 13.055 -44.142 24.612 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 15.363 -46.580 24.392 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 15.354 -47.529 24.173 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 15.314 -46.134 23.520 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 2.987 -48.859 23.006 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 2.810 -48.836 22.043 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 3.492 -49.691 23.137 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 8.807 -41.423 23.713 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 9.155 -40.678 23.176 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 7.835 -41.315 23.669 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 8.499 -45.939 21.859 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 7.610 -45.544 21.736 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 8.997 -45.251 22.366 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 9.414 -48.127 24.811 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 8.732 -47.649 25.326 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 8.952 -48.383 23.985 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 2.166 -45.872 26.250 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 2.222 -46.844 26.091 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 1.310 -45.757 26.689 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 6.171 -49.111 24.668 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 6.771 -48.985 23.904 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 6.531 -48.519 25.352 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 4.704 -46.067 25.153 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 4.537 -46.876 24.644 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 3.875 -45.931 25.665 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 17.249 -32.174 20.007 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 17.885 -32.887 20.233 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 17.805 -31.473 19.620 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 14.964 -34.145 25.172 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 14.823 -35.045 25.553 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 14.831 -33.544 25.935 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 12.146 -40.553 23.087 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 11.371 -40.286 22.559 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 11.993 -40.130 23.958 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 13.915 -34.819 22.686 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 12.996 -34.979 22.954 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 14.378 -34.621 23.532 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 15.201 -42.579 19.691 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 14.647 -42.489 20.498 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 15.656 -41.713 19.614 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 15.095 -45.892 17.541 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 14.870 -45.036 17.126 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 15.651 -45.645 18.302 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 14.771 -43.202 17.005 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 14.870 -42.966 17.951 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 14.083 -42.596 16.680 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 13.677 -46.299 11.041 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 14.205 -46.616 10.290 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 14.186 -45.541 11.384 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 15.120 -49.417 23.695 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 15.885 -50.016 23.530 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 14.571 -49.510 22.891 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 15.548 -47.306 8.973 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 16.049 -46.739 9.605 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 16.075 -47.259 8.150 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 -0.869 -49.001 21.380 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 -1.798 -49.072 21.690 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 -0.436 -48.441 22.056 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 11.447 -33.855 24.137 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 10.849 -34.024 23.364 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 11.919 -33.029 23.900 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 13.513 -49.821 21.457 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 13.242 -48.875 21.479 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 13.813 -49.962 20.533 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 15.574 -48.552 17.348 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 15.463 -48.846 16.413 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 15.343 -47.593 17.327 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 10.090 -49.750 12.044 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 9.536 -48.960 11.863 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 10.395 -50.039 11.151 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 2.513 -48.475 25.668 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 2.187 -49.340 25.953 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 2.779 -48.617 24.736 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 4.376 -51.038 24.007 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 4.924 -51.784 23.683 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 5.034 -50.388 24.351 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 13.303 -49.039 25.700 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 13.951 -49.273 24.997 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 13.851 -48.799 26.454 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 16.383 -36.377 28.396 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 16.441 -36.529 29.341 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 16.665 -35.441 28.285 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 1.534 -38.201 32.002 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 1.797 -38.342 32.917 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 0.580 -38.063 32.045 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 9.030 -42.663 26.173 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 8.912 -42.152 25.344 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 9.352 -43.518 25.876 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 7.218 -46.912 26.063 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 7.300 -46.550 26.952 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 6.421 -46.468 25.695 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 4.214 -43.397 24.410 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 4.562 -44.285 24.640 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 3.458 -43.584 23.823 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 -0.240 -43.300 26.000 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 -0.143 -44.063 25.389 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 0.670 -43.125 26.310 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 2.307 -42.182 26.808 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 2.934 -42.696 26.274 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 2.255 -41.314 26.351 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 4.285 -40.053 27.865 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 3.802 -39.579 28.581 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 4.143 -40.988 28.061 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 14.161 -39.061 25.451 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 14.409 -39.852 24.965 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 13.177 -39.083 25.457 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 7.620 -36.591 26.827 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 7.647 -36.473 25.855 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 7.288 -37.502 26.947 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 2.781 -30.386 27.256 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 2.217 -30.406 28.042 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 2.337 -30.995 26.631 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 2.721 -36.339 28.052 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 3.165 -35.573 28.436 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 3.196 -36.491 27.203 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 2.963 -33.963 25.631 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 3.733 -33.368 25.804 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 3.363 -34.856 25.568 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 -0.223 -45.112 23.911 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 0.046 -46.049 23.760 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 0.548 -44.591 23.607 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 10.957 -36.454 24.862 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 10.455 -36.580 24.017 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 11.327 -35.551 24.783 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 7.471 -36.553 24.079 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 6.958 -37.368 23.890 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 8.270 -36.632 23.503 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 4.071 -36.464 25.639 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 5.021 -36.537 25.466 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 3.654 -37.041 24.946 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 11.444 -39.135 25.339 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 11.235 -38.183 25.223 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 10.697 -39.479 25.885 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 6.555 -39.137 26.583 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 5.767 -39.486 27.053 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 6.262 -39.056 25.651 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 6.019 -41.394 23.636 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 5.495 -42.183 23.881 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 6.072 -41.433 22.650 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 2.308 -39.518 26.030 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 3.057 -39.483 26.657 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 2.613 -38.968 25.259 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 11.915 -47.069 24.318 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 12.433 -47.678 24.883 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 10.985 -47.353 24.454 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 1.756 -51.331 24.758 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 2.722 -51.290 24.584 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 1.394 -51.811 23.974 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 10.015 -35.360 27.211 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 9.118 -35.738 27.356 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 10.355 -35.855 26.437 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 1.384 -31.776 25.346 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 1.553 -31.432 24.444 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 1.865 -32.636 25.368 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 9.533 -25.073 -16.886 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 8.737 -24.547 -17.082 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 9.381 -25.407 -15.997 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 3.392 -23.025 -13.644 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 4.353 -22.990 -13.807 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 3.070 -23.711 -14.273 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 3.889 -20.686 -16.855 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 3.957 -20.241 -15.984 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 3.388 -20.070 -17.395 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 0.556 -23.464 -17.655 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 0.494 -24.407 -17.402 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 1.511 -23.328 -17.833 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 8.940 -23.205 -14.037 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 9.500 -22.665 -14.631 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 9.569 -23.855 -13.639 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 10.597 -27.442 -17.913 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 10.724 -27.763 -17.002 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 10.343 -26.505 -17.800 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 5.577 -30.124 -19.270 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 6.016 -29.336 -18.883 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 5.575 -29.942 -20.237 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 0.417 -26.128 -16.733 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 -0.418 -26.474 -16.376 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 0.726 -26.836 -17.335 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 5.559 -25.810 -18.077 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 6.098 -26.628 -18.159 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 4.650 -26.099 -18.313 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 6.196 -23.072 -14.470 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 6.229 -22.096 -14.547 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 7.120 -23.322 -14.255 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 6.653 -20.390 -14.861 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 6.983 -20.444 -15.780 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 5.837 -19.853 -14.927 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 5.614 -31.819 -17.075 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 5.864 -31.167 -17.760 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 4.654 -31.984 -17.244 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 9.882 -22.544 -9.850 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 10.342 -23.404 -9.935 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 8.988 -22.722 -10.183 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 7.022 -23.786 -16.998 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 6.530 -24.513 -17.452 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 6.568 -23.696 -16.134 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 4.177 -19.145 -14.603 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 4.150 -18.185 -14.521 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 3.750 -19.468 -13.771 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 0.885 -21.949 -13.125 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 0.469 -21.980 -14.015 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 1.771 -22.360 -13.261 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 8.361 -20.753 -12.772 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 7.697 -20.417 -13.412 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 8.490 -21.685 -13.034 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 2.783 -19.720 -12.314 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 2.478 -19.451 -11.431 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 2.255 -20.507 -12.516 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 7.593 -31.415 -14.239 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 7.998 -31.591 -13.378 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.980 -32.104 -14.832 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 12.353 -27.183 -13.547 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 13.158 -26.901 -13.991 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 12.626 -27.989 -13.045 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 3.040 -26.587 -18.853 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 2.374 -27.280 -18.669 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 2.721 -26.162 -19.653 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 0.248 -30.738 -17.550 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 -0.685 -31.053 -17.643 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 0.777 -31.550 -17.620 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 12.766 -20.451 -11.377 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 12.046 -20.286 -12.037 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 12.958 -21.391 -11.472 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 8.383 -29.652 -22.106 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 8.732 -29.433 -21.210 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 9.154 -29.606 -22.675 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 0.827 -28.217 -18.538 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 0.057 -28.152 -19.116 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 0.772 -29.129 -18.172 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 9.348 -29.152 -19.594 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 9.467 -29.978 -19.082 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 9.947 -28.506 -19.148 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 7.094 -28.120 -18.237 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 7.857 -28.249 -18.838 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 7.412 -28.465 -17.374 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 3.163 -32.520 -17.894 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 2.338 -33.023 -17.770 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 3.369 -32.624 -18.845 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 9.549 -19.895 -10.475 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.829 -20.776 -10.146 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 8.924 -20.102 -11.202 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 3.315 -23.262 -17.663 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 4.122 -23.653 -18.026 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 3.592 -22.364 -17.368 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 10.690 -17.472 -10.364 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 10.243 -18.351 -10.458 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 11.269 -17.418 -11.144 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 10.235 -21.376 -15.685 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 10.867 -21.555 -16.390 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 9.397 -21.181 -16.158 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 10.968 -20.101 -13.346 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 10.069 -20.178 -12.965 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 10.866 -20.445 -14.256 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 8.130 -29.395 -16.052 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 8.927 -28.903 -15.747 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 7.949 -30.029 -15.327 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 10.646 -24.988 -12.857 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 11.196 -25.746 -13.136 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 10.716 -24.990 -11.884 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 5.687 -29.932 -21.985 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 6.674 -29.922 -22.037 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 5.407 -29.428 -22.754 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 6.476 -14.188 -6.995 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 5.876 -14.914 -7.275 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 6.530 -13.605 -7.778 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 6.461 -18.592 -8.539 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 6.682 -19.545 -8.444 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 7.326 -18.146 -8.484 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 12.980 -14.782 -6.989 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 12.438 -14.201 -7.536 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 13.199 -15.531 -7.582 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 13.004 -16.844 -9.015 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 12.065 -16.851 -9.292 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 13.496 -16.950 -9.853 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 13.257 -20.177 -6.121 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 12.711 -20.981 -6.006 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 13.107 -19.921 -7.057 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 11.655 -25.207 -7.390 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 12.494 -25.702 -7.314 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 11.154 -25.479 -6.616 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 12.527 -19.633 -8.720 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 12.758 -18.691 -8.837 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 12.568 -20.004 -9.631 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 10.715 -25.153 -10.012 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 10.844 -26.115 -10.200 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 11.084 -25.041 -9.110 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 6.730 -32.190 -10.534 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 7.610 -32.213 -10.117 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 6.300 -33.011 -10.229 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 2.550 -24.809 -15.519 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 1.816 -25.355 -15.863 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 2.902 -24.355 -16.311 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 16.926 -32.331 -10.563 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 17.265 -31.470 -10.270 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 16.236 -32.109 -11.218 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 0.237 -29.108 -15.383 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 -0.605 -28.621 -15.498 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 0.259 -29.721 -16.148 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 -2.618 -25.324 -17.447 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 -3.536 -25.515 -17.769 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 -2.193 -24.884 -18.194 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 1.367 -19.422 -9.717 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 0.875 -19.086 -8.936 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 0.661 -19.638 -10.365 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 7.920 -21.210 -17.207 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 7.633 -22.155 -17.163 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 7.746 -20.954 -18.120 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 13.306 -17.770 -11.646 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 13.244 -18.745 -11.556 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 13.469 -17.630 -12.586 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 9.324 -31.218 -17.720 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 8.795 -30.545 -17.243 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 9.067 -32.062 -17.303 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 0.694 -33.568 -17.275 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 0.467 -33.753 -18.219 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 -0.161 -33.587 -16.822 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 4.536 -32.428 -20.346 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 4.543 -32.182 -21.280 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 4.931 -31.652 -19.894 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 13.293 -29.495 -12.373 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 13.918 -30.226 -12.528 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 12.749 -29.806 -11.620 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 1.951 -22.145 -1.522 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 2.822 -22.309 -1.929 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 1.371 -22.823 -1.927 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 0.822 -24.264 -2.999 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 1.364 -24.741 -3.669 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 0.319 -24.962 -2.566 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 11.806 -22.572 -6.030 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 12.458 -23.075 -5.485 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 11.644 -23.154 -6.795 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 14.518 -21.927 -0.301 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 15.387 -22.365 -0.220 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 14.710 -21.096 -0.774 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 13.864 -24.009 -4.914 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 14.419 -24.749 -4.603 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 14.514 -23.325 -5.194 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 2.004 -14.638 7.127 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 2.074 -15.582 6.863 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 2.910 -14.309 7.072 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 13.732 -34.883 -7.914 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 13.446 -33.966 -7.936 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 14.674 -34.834 -7.646 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 17.740 -14.815 -4.834 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 18.311 -14.598 -4.069 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 17.212 -14.008 -4.972 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 15.046 -20.556 9.392 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 15.474 -20.127 8.613 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 14.151 -20.173 9.415 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 15.446 -21.889 -5.720 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 14.754 -21.233 -5.918 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 16.258 -21.359 -5.636 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 -6.319 -30.727 -3.698 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 -5.945 -31.368 -4.322 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 -5.648 -30.005 -3.665 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 2.295 -25.875 -4.729 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 3.209 -25.894 -4.431 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 2.206 -26.686 -5.279 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 11.858 -12.921 7.457 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 11.436 -12.359 8.129 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 12.797 -12.615 7.442 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 12.161 -29.087 -7.819 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 12.703 -28.418 -7.357 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 11.435 -29.282 -7.188 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 10.242 -20.837 -4.478 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 10.825 -21.568 -4.752 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 9.336 -21.191 -4.613 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 20.247 -26.092 -7.163 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 21.183 -26.262 -7.075 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 19.926 -26.812 -7.743 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 14.201 -13.401 -4.740 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 13.976 -13.991 -5.488 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 15.105 -13.077 -4.951 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 14.525 -19.286 -1.415 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 14.797 -19.209 -2.360 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 13.590 -19.070 -1.426 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 16.706 -12.250 -5.331 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 17.683 -12.224 -5.265 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 16.483 -11.434 -5.825 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 14.872 -19.118 -4.099 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 14.233 -19.416 -4.779 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 15.741 -19.334 -4.479 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 7.585 -21.043 -8.187 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 8.510 -20.802 -7.979 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 7.661 -21.648 -8.939 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 0.001 -15.238 8.969 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 0.701 -14.830 8.415 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 0.120 -16.203 8.831 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 -0.387 -14.205 13.796 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 -0.854 -14.548 14.575 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 0.391 -13.740 14.174 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 9.145 -17.609 -8.031 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 9.607 -17.497 -8.889 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 9.402 -18.512 -7.739 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 17.953 -17.141 -6.239 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 17.826 -16.325 -5.691 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 17.893 -16.826 -7.146 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -2.503 -22.266 11.548 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -1.869 -22.130 12.265 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -3.377 -22.072 11.962 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 10.152 -20.146 -7.409 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 10.943 -20.038 -7.982 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 10.388 -20.877 -6.816 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 10.291 -12.935 -4.738 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 10.344 -11.961 -4.708 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 9.330 -13.122 -4.689 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 2.165 -14.402 -3.281 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 2.108 -13.487 -3.581 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 1.711 -14.397 -2.411 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 17.349 -19.761 -5.396 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 17.319 -18.898 -5.856 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 18.143 -19.697 -4.831 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 16.792 -23.513 0.162 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 17.061 -24.091 -0.566 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 17.630 -23.337 0.652 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 19.770 -28.189 -8.933 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 19.361 -29.080 -8.921 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 19.919 -28.012 -9.864 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 11.224 -27.764 -10.124 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 11.627 -28.083 -9.293 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 11.192 -28.555 -10.685 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 15.520 -32.128 -5.171 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 16.042 -32.575 -4.471 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 14.588 -32.193 -4.854 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 18.576 -30.711 -8.837 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 18.160 -30.558 -7.961 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 18.877 -31.631 -8.797 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 2.641 -18.999 10.257 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 3.244 -19.744 10.363 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 2.160 -18.957 11.113 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 10.091 -13.015 4.672 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 10.672 -13.203 5.430 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 9.789 -12.094 4.827 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 3.958 -12.302 6.680 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 3.546 -11.949 7.475 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 3.219 -12.371 6.038 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 6.614 -15.102 1.718 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 5.798 -15.039 1.182 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 6.452 -14.511 2.475 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 4.845 -17.858 -5.457 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 4.852 -17.470 -6.351 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 4.602 -17.108 -4.875 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 5.015 -16.396 -7.917 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 4.338 -16.262 -8.591 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 5.509 -17.193 -8.226 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 11.652 -15.520 6.640 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 11.714 -14.594 6.962 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 11.777 -16.063 7.448 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 10.263 -23.250 11.874 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 9.521 -22.697 11.610 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 10.599 -22.823 12.695 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 12.747 -25.969 16.246 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 13.443 -26.221 16.898 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 11.946 -26.397 16.581 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 18.098 -15.633 13.790 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 18.499 -15.660 14.666 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 18.819 -15.917 13.186 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 9.283 -21.250 17.712 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 9.093 -20.334 18.021 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 10.179 -21.194 17.332 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 11.684 -29.100 22.643 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 12.496 -28.657 22.297 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 10.963 -28.667 22.168 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 11.088 -21.739 14.030 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 10.760 -20.904 13.634 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 11.238 -21.517 14.966 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 15.964 -15.449 12.133 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 15.407 -14.666 12.307 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 16.663 -15.409 12.830 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 10.061 -26.057 11.602 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 10.049 -26.342 12.535 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 10.107 -25.081 11.652 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 14.860 -29.082 19.258 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 14.777 -28.252 18.739 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 15.438 -29.649 18.710 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 10.460 -24.349 18.979 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 9.507 -24.199 19.106 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 10.732 -23.642 18.384 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 4.346 -19.813 18.209 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 4.365 -20.111 17.277 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 4.336 -20.651 18.726 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 6.062 -17.737 19.032 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 5.658 -17.540 19.895 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 5.512 -18.465 18.672 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 4.437 -18.015 21.551 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 5.215 -17.695 22.068 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 4.596 -18.987 21.456 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 16.502 -19.405 7.406 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 16.777 -18.467 7.359 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 17.329 -19.904 7.236 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 7.706 -15.581 20.691 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 7.372 -15.553 19.783 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 7.800 -14.639 20.940 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 11.657 -12.095 12.284 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 12.098 -11.335 12.682 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 11.002 -12.379 12.970 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 13.819 -16.585 10.876 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 13.799 -17.512 11.147 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 14.633 -16.233 11.291 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 12.171 -26.438 25.225 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 13.028 -26.341 24.751 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 11.599 -25.790 24.807 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 4.781 -24.705 22.846 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 4.051 -24.054 22.854 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 4.547 -25.337 23.554 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 11.899 -26.554 19.846 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 11.703 -27.042 19.026 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 11.444 -25.693 19.724 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 2.437 -18.571 23.460 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 2.936 -19.298 23.884 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 3.025 -18.270 22.740 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 4.001 -23.669 16.207 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 3.741 -24.483 15.734 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 3.513 -23.731 17.066 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 8.671 -18.764 18.748 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 7.740 -18.469 18.829 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 9.175 -18.074 19.188 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 10.006 -19.567 12.617 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 10.045 -19.138 11.735 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 9.266 -19.135 13.056 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 6.837 -23.514 21.596 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 7.354 -24.299 21.310 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 6.026 -23.904 22.003 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 17.172 -15.637 9.646 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 16.645 -15.433 10.445 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 17.668 -16.436 9.891 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 13.452 -23.422 15.395 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 12.920 -23.342 14.592 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 13.238 -24.318 15.737 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 2.898 -15.894 13.965 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 2.240 -16.001 13.248 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 3.240 -16.808 14.112 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 7.801 -23.176 18.941 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 8.261 -22.440 18.470 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 7.593 -22.807 19.817 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 6.874 -15.452 17.481 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 6.090 -15.173 16.962 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 6.604 -16.300 17.883 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 1.967 -13.553 15.069 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 2.403 -13.551 15.933 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 2.312 -14.360 14.629 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 11.974 -21.500 16.782 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 12.540 -21.125 17.465 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 12.533 -22.195 16.364 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 16.007 -12.303 10.901 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 15.888 -11.446 11.319 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 15.178 -12.789 11.107 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 4.521 -17.751 8.545 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 3.994 -17.578 7.747 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 3.867 -18.064 9.196 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 9.106 -14.214 16.283 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 8.279 -14.605 16.641 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 9.793 -14.541 16.870 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 3.494 -18.551 14.266 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 3.787 -19.339 14.762 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 2.746 -18.872 13.724 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 9.925 -18.383 10.130 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 8.985 -18.267 9.857 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 10.400 -17.681 9.651 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 7.740 -25.951 20.870 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 7.693 -26.835 20.452 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 8.146 -26.128 21.746 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 9.873 -12.485 14.278 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 9.287 -11.772 14.549 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 9.670 -13.212 14.910 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 14.823 -26.839 17.747 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 15.454 -26.181 18.123 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 15.326 -27.268 17.020 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 1.281 -18.930 12.678 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 0.882 -18.040 12.571 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 0.554 -19.479 13.033 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 -0.262 -15.175 26.315 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 0.028 -14.410 25.767 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 0.050 -15.952 25.813 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 7.247 -17.776 9.489 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 6.463 -17.971 8.938 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 6.964 -17.043 10.044 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 12.159 -17.128 8.791 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 12.760 -16.743 9.466 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 12.356 -18.079 8.817 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 -0.444 -22.096 21.901 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 -0.118 -22.819 22.482 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 -0.342 -22.450 21.006 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 2.129 -17.347 6.654 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 1.457 -17.694 7.272 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 1.717 -17.461 5.765 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 4.944 -20.640 21.284 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 5.612 -20.994 21.897 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 4.818 -21.359 20.619 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 0.898 -23.997 23.302 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 1.085 -24.235 24.225 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 1.700 -23.509 23.015 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 4.169 -20.666 24.353 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 4.180 -20.981 25.263 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 5.068 -20.880 24.014 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 3.084 -22.537 22.650 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 3.353 -21.816 23.259 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 3.227 -22.165 21.765 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 11.137 -28.950 25.299 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 11.441 -28.056 25.580 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 11.383 -28.992 24.351 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 2.011 -24.888 25.802 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 1.476 -25.647 25.486 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 2.934 -25.183 25.683 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 4.258 -26.431 24.962 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 5.158 -26.809 25.074 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 3.668 -27.215 24.977 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 8.570 -26.827 23.320 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 7.906 -26.580 23.984 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 8.703 -27.780 23.465 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 8.624 -29.465 24.362 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 8.760 -30.244 23.765 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 9.492 -29.357 24.814 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 0.588 -27.002 24.829 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 0.189 -27.101 23.940 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 1.300 -27.680 24.852 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 7.600 -31.401 26.146 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 7.908 -30.744 25.503 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 8.397 -31.943 26.333 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 6.726 -27.698 25.359 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 7.285 -28.396 24.953 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 6.761 -27.887 26.302 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 -0.788 -20.708 13.796 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 -0.501 -21.518 14.252 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 -1.243 -20.199 14.487 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 14.323 -26.845 14.122 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 13.712 -26.472 14.784 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 14.899 -27.439 14.639 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 16.431 -23.368 14.582 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 15.523 -23.387 14.930 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 16.916 -24.013 15.139 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 14.237 -26.109 23.435 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 15.041 -25.670 23.144 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 14.048 -26.759 22.724 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 16.502 -30.568 17.631 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 17.396 -30.364 17.972 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 16.532 -31.527 17.452 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 13.697 -27.819 21.364 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 13.110 -27.254 20.799 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 14.230 -28.332 20.715 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 16.894 -33.708 28.233 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 17.494 -33.023 27.933 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 16.000 -33.330 28.080 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 14.402 -32.746 27.492 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 13.813 -31.998 27.267 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 13.779 -33.468 27.757 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 0.784 -16.421 24.009 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 1.394 -15.673 23.951 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 1.352 -17.209 23.845 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 2.613 -17.995 19.436 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 3.232 -18.653 19.058 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 3.027 -17.743 20.284 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 7.484 -12.838 21.058 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 7.697 -12.081 20.500 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 6.565 -13.070 20.805 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 4.423 -20.940 15.624 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 5.319 -21.023 15.277 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 4.145 -21.870 15.793 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -2.480 -16.984 12.311 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -2.553 -16.546 13.184 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -2.456 -16.236 11.671 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 13.782 -13.718 11.597 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 13.449 -14.528 11.174 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 12.970 -13.215 11.830 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 2.190 -30.507 22.957 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 2.848 -30.924 22.357 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 1.784 -29.822 22.417 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 4.911 -32.121 26.210 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 5.879 -31.946 26.170 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 4.556 -31.381 26.727 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 0.739 -16.189 12.200 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 0.618 -15.913 11.279 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 0.201 -15.548 12.714 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 10.020 -32.754 26.342 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 10.415 -33.095 25.519 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 9.905 -33.556 26.897 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 -2.392 -23.937 28.999 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 -1.930 -24.440 29.675 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 -1.735 -23.843 28.279 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 -0.272 -23.940 27.173 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 -0.516 -23.053 26.812 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 0.637 -24.091 26.838 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 6.644 -21.468 23.370 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 6.805 -22.267 22.814 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 7.524 -21.205 23.664 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 12.681 -34.799 27.770 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 11.730 -35.020 27.707 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 13.130 -35.543 27.321 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 -0.929 -26.665 27.078 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 -0.703 -25.737 27.295 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 -0.402 -26.852 26.270 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 12.696 -9.062 -7.403 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 11.743 -9.159 -7.561 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 12.911 -9.786 -6.781 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 7.796 -12.796 -9.070 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 8.446 -13.436 -8.714 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 8.016 -12.729 -10.004 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 18.977 -9.172 -8.081 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 19.532 -9.984 -7.999 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 19.625 -8.458 -8.259 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 9.879 -9.759 -7.408 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 9.662 -10.613 -7.810 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 9.143 -9.185 -7.658 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 19.503 -8.616 -0.862 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 18.528 -8.545 -0.827 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 19.812 -7.882 -0.305 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 12.109 -8.957 1.966 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 11.727 -8.108 1.684 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 11.382 -9.410 2.411 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 1.406 -9.345 2.566 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 1.277 -9.033 1.639 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 1.321 -8.544 3.097 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 16.626 -5.148 2.997 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 17.102 -5.006 2.171 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 17.270 -4.886 3.691 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 1.727 -12.462 5.095 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 1.390 -13.240 5.574 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 0.978 -12.199 4.510 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 14.754 -3.623 -4.625 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 15.594 -3.739 -5.140 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 14.438 -2.750 -4.889 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 13.136 -6.059 2.874 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 13.905 -5.614 2.496 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 12.527 -6.169 2.121 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 15.078 -9.204 -4.427 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 14.310 -9.678 -4.805 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 15.797 -9.360 -5.077 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 3.054 -13.131 2.162 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 3.736 -12.814 1.543 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 3.125 -12.526 2.920 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 7.325 -13.127 3.719 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 8.269 -13.299 3.875 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 6.979 -12.879 4.604 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 13.235 -7.365 5.266 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 12.734 -6.839 5.899 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 13.043 -6.941 4.396 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 9.073 -14.832 -7.682 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 9.118 -15.799 -7.836 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 8.200 -14.697 -7.262 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 12.104 -8.186 -3.938 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 11.997 -7.631 -3.131 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 12.841 -7.766 -4.417 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 9.932 -11.363 0.748 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 9.309 -12.083 0.480 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 9.408 -10.815 1.370 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 7.755 -10.542 -3.953 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 7.658 -10.001 -3.146 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 8.671 -10.376 -4.240 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 11.115 -6.457 0.891 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 10.662 -5.611 1.001 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 10.394 -7.080 0.610 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 4.879 -11.955 0.465 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 5.157 -11.498 -0.357 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 5.403 -11.512 1.172 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 1.015 -8.257 0.087 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 0.589 -7.438 -0.189 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 1.237 -8.701 -0.740 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 9.156 -8.215 0.331 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 8.586 -8.551 -0.390 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 8.866 -8.719 1.120 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 7.554 -13.181 -4.679 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 7.081 -13.390 -5.518 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 7.427 -12.212 -4.562 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 8.615 -9.780 2.552 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 7.662 -10.021 2.475 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 8.820 -9.936 3.499 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 13.064 -10.961 -5.430 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 13.374 -11.866 -5.213 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 12.159 -10.926 -5.073 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 13.782 -6.175 -5.197 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 12.917 -5.934 -5.549 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 14.205 -5.315 -4.992 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 16.846 -5.828 -8.069 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 17.228 -6.301 -8.826 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 16.116 -6.411 -7.771 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 12.165 -6.625 -1.716 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 11.853 -6.481 -0.805 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 12.849 -5.935 -1.849 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 11.013 -13.498 2.097 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 10.753 -13.336 3.028 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 10.738 -12.686 1.630 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 8.418 -13.556 0.313 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 7.819 -13.960 0.976 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 8.396 -14.181 -0.431 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 7.286 -9.079 -1.622 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 6.894 -8.209 -1.765 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 6.514 -9.682 -1.557 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 5.144 -10.829 -2.028 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 5.524 -11.128 -2.868 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 4.220 -11.162 -2.051 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 15.783 -7.478 4.167 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 14.934 -7.332 4.638 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 15.984 -6.600 3.763 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 14.912 -8.605 1.699 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 13.955 -8.785 1.815 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 15.210 -8.328 2.585 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 4.765 -14.586 -0.321 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 5.244 -14.552 -1.171 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 4.719 -13.653 -0.037 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 6.123 -10.885 2.628 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 6.487 -11.700 3.036 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 5.272 -10.737 3.102 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 6.657 -11.974 6.106 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 7.043 -11.912 7.010 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 5.690 -12.074 6.266 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 8.904 -10.561 5.204 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 8.058 -10.992 5.460 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 9.121 -10.000 5.958 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 7.809 -11.521 8.564 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 8.722 -11.706 8.865 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 7.375 -11.158 9.342 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 12.390 -19.776 9.955 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 12.427 -20.498 10.598 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 11.456 -19.482 9.982 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 16.917 -3.855 -6.211 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 17.595 -3.263 -6.547 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 16.890 -4.590 -6.870 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 17.442 -7.895 -9.950 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 16.578 -8.302 -10.085 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 17.878 -8.470 -9.281 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 14.229 -4.875 -2.241 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 14.778 -4.364 -1.636 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 14.320 -4.406 -3.101 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 14.980 -7.643 -7.225 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 14.698 -7.169 -6.414 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 14.168 -8.123 -7.511 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 15.429 -7.435 -2.392 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 14.962 -6.583 -2.495 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 15.389 -7.841 -3.288 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 16.882 -7.945 -0.123 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 16.371 -7.679 -0.922 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 16.192 -8.244 0.513 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 18.957 -6.659 1.170 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 18.147 -7.029 0.757 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 18.885 -6.919 2.116 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 14.444 -11.937 7.462 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 14.633 -11.169 6.892 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 15.324 -12.276 7.709 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 3.523 -10.803 3.654 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 2.877 -10.247 3.174 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 3.005 -11.193 4.381 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 16.329 -11.885 4.590 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 15.726 -11.161 4.860 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 15.872 -12.687 4.870 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 16.715 -9.697 -6.569 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 17.574 -9.567 -7.025 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 16.145 -8.984 -6.929 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 0.956 -14.775 1.799 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 0.459 -14.839 2.637 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 1.715 -14.179 2.015 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 14.798 -9.792 5.559 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 15.385 -9.153 5.119 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 13.951 -9.316 5.637 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 4.326 -16.029 -3.526 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 3.502 -15.486 -3.543 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 5.023 -15.394 -3.246 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 6.327 -14.473 -2.597 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 6.771 -13.954 -3.302 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 7.067 -14.899 -2.112 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 10.441 -10.186 -4.749 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 10.952 -9.433 -4.357 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 10.270 -9.900 -5.675 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 10.309 -12.150 9.762 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 10.765 -11.931 10.600 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 10.306 -13.114 9.740 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 1.842 -2.452 19.730 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 2.806 -2.324 19.752 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 1.691 -2.960 18.909 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 -1.105 -8.155 17.096 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 -0.517 -7.369 17.088 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 -2.000 -7.787 17.275 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 1.002 -6.387 16.869 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 1.640 -6.359 16.131 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 1.097 -5.514 17.295 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 6.758 -6.476 17.929 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 7.649 -6.529 17.563 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 6.831 -6.923 18.802 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 6.056 -1.204 24.341 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 6.225 -0.369 24.792 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 6.688 -1.194 23.578 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 3.604 -1.785 23.190 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 3.865 -2.679 22.896 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 4.436 -1.386 23.504 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 4.938 -13.433 20.104 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 4.662 -13.460 21.052 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 4.303 -14.012 19.659 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 4.620 -4.869 17.206 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 4.320 -5.227 16.338 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 5.449 -5.371 17.399 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 4.586 -2.541 18.765 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 4.846 -1.860 18.135 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 4.668 -3.377 18.263 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 3.221 -5.912 15.089 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 3.215 -5.862 14.126 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 3.455 -6.861 15.277 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 1.007 -2.024 23.758 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 1.929 -1.737 23.549 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 0.488 -1.740 22.977 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 -0.152 -1.548 21.345 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 -0.273 -0.701 20.903 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 0.532 -2.008 20.797 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 4.328 -4.393 22.873 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 4.945 -4.491 23.612 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 4.853 -4.650 22.085 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 4.611 -10.273 22.161 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 4.156 -9.966 22.987 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 5.549 -10.402 22.439 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 3.689 -6.694 19.148 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 3.875 -6.198 18.335 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 3.210 -7.500 18.835 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 -1.248 -8.889 14.443 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 -1.118 -8.660 15.382 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 -1.475 -8.037 14.020 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 5.537 -9.159 17.390 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 5.939 -8.370 17.778 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 5.517 -9.804 18.125 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 1.948 -8.590 18.290 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 1.494 -7.927 17.734 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 1.703 -9.441 17.890 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 3.730 -8.473 15.521 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 4.410 -8.783 16.164 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 3.244 -9.293 15.276 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 -3.516 -1.310 25.248 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 -3.339 -0.366 25.219 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 -3.176 -1.645 24.388 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 6.976 -8.306 19.986 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 6.620 -9.203 19.822 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 7.169 -8.300 20.934 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 0.207 -10.527 16.920 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 -0.474 -11.154 16.644 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 -0.288 -9.691 17.079 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 6.512 -2.841 20.707 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 6.434 -3.817 20.713 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 5.815 -2.554 20.086 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 2.000 -3.859 17.356 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 2.911 -4.212 17.374 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 1.897 -3.515 16.462 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 5.036 -3.326 25.860 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 5.439 -3.088 26.703 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 5.334 -2.618 25.246 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 5.696 -5.453 20.692 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 5.888 -6.265 21.204 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 5.089 -5.757 19.989 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 2.318 -10.795 15.128 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 2.203 -11.734 14.897 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 1.538 -10.590 15.680 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 1.674 -3.525 25.954 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 1.395 -2.900 25.246 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 2.634 -3.411 26.002 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 1.606 -6.294 26.419 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 1.403 -5.344 26.304 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 2.585 -6.320 26.473 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 4.344 -6.002 26.313 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 5.053 -6.494 25.838 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 4.569 -5.060 26.169 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 5.220 -7.588 22.270 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 5.080 -8.530 22.053 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 4.318 -7.204 22.233 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 3.815 -9.109 24.441 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 4.489 -8.509 24.802 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 3.233 -9.304 25.205 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 7.755 -0.940 22.254 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 8.501 -0.599 21.754 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 7.361 -1.625 21.663 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 6.091 -7.473 24.856 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 6.736 -8.193 25.022 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 6.004 -7.449 23.879 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 4.486 -12.986 22.725 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 4.505 -12.956 23.708 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 4.333 -12.062 22.466 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 2.343 -9.550 26.698 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 2.251 -10.520 26.563 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 1.449 -9.264 26.973 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 6.694 -17.086 22.747 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 7.156 -16.670 21.984 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 6.709 -16.408 23.428 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 -3.090 -10.719 13.765 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 -3.138 -11.307 14.552 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 -2.323 -10.126 13.953 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 5.607 -10.734 19.651 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 5.092 -10.525 20.460 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 5.425 -11.682 19.496 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 -1.930 -12.617 12.115 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 -1.349 -13.122 12.723 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 -2.305 -11.906 12.678 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 4.758 -14.710 15.746 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 4.240 -15.198 15.078 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 4.965 -13.872 15.319 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 4.431 -12.300 25.359 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 4.948 -11.808 26.020 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 3.525 -12.322 25.732 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 7.239 -10.448 22.737 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 7.487 -10.271 23.669 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 7.511 -11.370 22.587 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 7.621 -9.719 25.394 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 6.997 -10.191 25.994 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 8.415 -9.601 25.927 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 5.903 -10.736 27.282 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 5.461 -9.865 27.445 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 5.964 -11.135 28.158 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 -4.477 -8.644 27.483 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 -5.061 -8.491 28.232 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 -4.414 -7.770 27.043 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 -0.145 -8.382 26.920 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 0.411 -7.591 27.091 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 -0.984 -8.008 26.557 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 4.594 -8.430 27.739 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 4.532 -7.483 27.525 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 3.705 -8.784 27.521 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 18.639 -55.948 -9.456 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 18.905 -56.680 -10.018 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 19.091 -55.166 -9.848 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 18.274 -49.884 -10.776 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 17.569 -50.568 -10.706 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 19.101 -50.371 -10.573 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 20.261 -56.336 -0.698 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 20.976 -55.958 -0.156 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 20.640 -56.387 -1.597 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 19.004 -59.931 -0.064 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 18.580 -59.047 0.034 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 19.851 -59.737 -0.529 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 21.749 -59.526 1.809 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 21.304 -60.071 1.149 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 22.326 -58.938 1.285 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 22.424 -55.362 1.047 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 22.593 -54.464 0.669 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 22.371 -55.203 2.014 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 19.420 -53.433 -4.059 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 20.232 -53.059 -4.471 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 18.938 -52.646 -3.725 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 21.328 -59.125 -1.269 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 21.129 -58.485 -1.976 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 22.062 -58.710 -0.773 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 23.233 -57.812 0.252 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 24.187 -57.796 0.377 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 22.935 -56.922 0.565 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 23.972 -55.718 8.317 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 23.654 -55.076 8.990 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 24.748 -56.116 8.719 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 20.469 -58.012 3.701 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 21.028 -58.545 3.088 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 19.592 -58.455 3.667 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 22.386 -54.542 3.720 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 22.821 -53.676 3.895 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 22.473 -55.026 4.569 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 16.781 -56.865 5.503 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 16.145 -56.608 4.791 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 16.667 -57.820 5.589 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 19.788 -55.391 4.104 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 20.615 -54.986 3.778 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 19.889 -56.342 3.885 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 17.832 -57.463 -0.257 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 17.374 -57.172 -1.079 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 18.706 -57.004 -0.297 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 18.145 -59.419 4.021 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 18.387 -59.737 4.916 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 18.098 -60.239 3.477 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 21.367 -56.918 -3.176 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 20.927 -56.609 -3.994 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 22.305 -56.806 -3.358 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 25.194 -51.528 1.251 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 26.107 -51.657 1.588 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 24.801 -50.867 1.866 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 20.465 -55.498 -5.472 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 21.093 -54.908 -5.915 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 19.979 -54.907 -4.856 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 20.491 -51.354 -10.084 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 20.439 -51.278 -9.102 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 21.401 -51.108 -10.290 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 21.540 -52.592 -5.569 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 21.087 -52.055 -6.253 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 22.308 -52.045 -5.309 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 23.143 -52.040 4.477 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 23.095 -51.546 5.321 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 23.540 -51.400 3.851 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 20.481 -57.771 6.459 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 20.655 -57.818 5.494 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 19.856 -58.509 6.620 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 22.884 -49.673 -7.242 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 23.275 -50.252 -6.560 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 23.258 -48.801 -7.051 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 18.042 -56.221 -6.785 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 18.160 -56.123 -7.758 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 18.949 -56.159 -6.429 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 17.827 -61.288 2.077 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 16.909 -61.282 1.760 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 18.342 -60.927 1.327 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 16.898 -60.830 -1.556 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 17.007 -61.784 -1.606 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 17.717 -60.518 -1.112 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 22.936 -52.817 0.356 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 22.500 -52.036 -0.058 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 23.775 -52.458 0.708 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 24.012 -49.834 3.037 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 24.364 -49.395 3.838 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 23.300 -49.230 2.729 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 25.755 -50.766 -1.312 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 25.372 -51.062 -0.457 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 26.648 -51.116 -1.302 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 15.818 -52.025 -6.060 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 16.458 -52.760 -5.927 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 16.261 -51.435 -6.719 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 19.570 -53.840 -10.903 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 18.708 -53.705 -11.333 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 19.887 -52.936 -10.703 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 14.791 -55.727 12.030 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 14.576 -55.539 12.970 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 13.971 -56.129 11.675 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 16.626 -56.004 9.641 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 16.844 -55.828 10.567 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 17.494 -56.189 9.220 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 22.160 -55.535 6.298 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 22.882 -55.598 6.969 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 21.674 -56.380 6.393 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 15.233 -58.473 11.840 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 15.405 -57.526 11.994 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 15.136 -58.542 10.871 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 20.263 -54.898 10.379 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 21.231 -54.916 10.299 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 20.074 -54.008 10.743 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 22.918 -53.933 10.119 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 22.760 -53.505 10.973 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 22.620 -53.267 9.462 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 19.109 -56.399 8.466 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 19.632 -55.964 9.182 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 19.759 -56.965 8.002 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 14.975 -49.424 14.805 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 15.547 -49.627 14.032 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 14.085 -49.338 14.423 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 14.297 -50.451 18.849 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 13.890 -50.905 18.101 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 14.859 -49.753 18.429 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 20.153 -49.946 12.324 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 20.192 -48.962 12.384 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 19.427 -50.188 12.907 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 20.698 -52.247 10.978 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 20.570 -51.401 11.469 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 20.990 -51.964 10.091 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 16.070 -45.228 -12.356 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 16.437 -45.308 -11.452 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 15.304 -45.837 -12.356 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 16.830 -50.340 -7.884 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 16.770 -50.645 -8.806 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 17.548 -49.673 -7.895 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 19.019 -36.433 -8.913 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 18.355 -36.522 -9.604 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 19.030 -35.480 -8.714 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 18.491 -43.064 -9.823 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 19.458 -43.202 -9.719 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 18.210 -42.686 -8.960 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 21.158 -43.408 -9.224 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 21.411 -43.143 -8.313 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 21.866 -43.024 -9.789 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 23.176 -42.126 -10.529 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 24.016 -42.269 -10.973 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 23.030 -41.176 -10.592 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 16.350 -48.772 -12.374 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 15.635 -48.572 -11.719 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 17.105 -49.054 -11.824 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 16.814 -54.173 -11.514 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 16.895 -54.890 -10.864 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 16.048 -54.441 -12.069 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 18.968 -47.354 -9.915 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 18.215 -46.740 -10.052 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 18.691 -48.178 -10.371 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 21.685 -38.350 1.428 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 21.438 -38.423 0.477 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 21.433 -39.200 1.801 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 23.129 -46.527 -3.285 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 23.898 -46.121 -2.831 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 22.474 -45.798 -3.335 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 18.866 -37.766 4.880 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 18.384 -37.034 4.474 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 19.201 -37.394 5.722 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 18.969 -35.211 -4.698 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 18.338 -34.630 -4.229 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 18.394 -35.846 -5.183 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 21.840 -50.490 -0.477 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 21.678 -49.765 -1.110 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 21.320 -50.238 0.315 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 21.697 -42.906 -6.592 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 22.281 -42.581 -5.897 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 21.436 -43.801 -6.286 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 21.385 -44.438 -3.260 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 21.110 -44.642 -4.179 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 20.571 -44.057 -2.842 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 19.585 -42.901 4.750 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 19.854 -41.957 4.781 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 19.411 -43.070 3.806 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 24.414 -37.126 6.511 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 24.266 -37.215 5.558 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 25.253 -37.578 6.666 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 20.933 -41.457 -1.956 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 20.797 -41.056 -2.847 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 20.217 -42.136 -1.886 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 17.089 -33.572 -3.433 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 16.639 -34.066 -2.726 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 17.731 -33.001 -2.959 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 19.687 -36.922 7.410 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 19.386 -37.747 7.868 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 19.374 -36.210 7.981 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 21.939 -48.082 2.545 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 21.479 -47.449 3.125 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 21.255 -48.771 2.344 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 21.580 -44.408 0.540 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 21.915 -45.267 0.206 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 21.366 -43.907 -0.262 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 19.344 -44.093 2.097 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 20.220 -44.098 1.660 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 18.712 -44.110 1.348 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 17.001 -45.381 -9.712 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 17.529 -44.554 -9.778 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 16.557 -45.313 -8.847 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 21.311 -48.170 -1.960 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 21.570 -47.647 -1.181 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 21.863 -47.812 -2.677 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 23.336 -42.967 -2.095 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 22.832 -42.178 -1.829 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 22.679 -43.515 -2.574 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 20.771 -46.003 -8.389 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 20.250 -46.515 -9.044 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 20.932 -45.145 -8.833 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 20.146 -40.190 5.171 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 19.686 -39.383 4.852 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 20.316 -40.009 6.101 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 24.805 -45.304 0.780 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 24.386 -44.633 1.339 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 24.087 -45.936 0.587 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 24.756 -48.428 5.309 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 24.704 -47.651 4.697 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 25.568 -48.281 5.804 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 20.749 -38.848 -1.065 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 20.827 -39.810 -1.246 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 20.405 -38.476 -1.898 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 20.591 -40.057 -4.231 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 20.321 -39.135 -4.060 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 20.287 -40.230 -5.147 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 25.127 -33.456 -4.261 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 25.748 -33.812 -4.900 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 25.139 -32.484 -4.430 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 19.515 -37.616 -3.327 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 18.560 -37.758 -3.277 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 19.603 -36.733 -3.741 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 25.132 -45.045 -2.051 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 25.270 -45.214 -1.096 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 24.641 -44.190 -2.073 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 27.801 -51.982 1.942 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 28.516 -51.509 2.381 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 28.116 -52.890 1.883 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 24.348 -48.148 -5.114 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 23.724 -47.593 -4.602 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 25.204 -47.679 -5.026 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 19.894 -40.787 -6.793 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 20.541 -41.521 -6.769 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 19.047 -41.224 -7.025 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 17.569 -42.048 -7.482 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 17.457 -42.475 -6.605 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 16.771 -41.491 -7.586 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 14.597 -35.501 -1.475 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 14.616 -34.865 -0.738 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 13.838 -36.110 -1.255 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 23.625 -34.768 7.843 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 23.173 -35.207 8.580 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 24.031 -35.500 7.344 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 18.969 -39.191 8.686 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 19.232 -40.122 8.613 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 18.441 -39.160 9.515 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 19.059 -44.356 9.249 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 19.072 -43.369 9.301 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 19.168 -44.544 8.289 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 20.962 -45.469 -5.764 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 20.581 -46.275 -5.365 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 20.966 -45.663 -6.733 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 22.778 -44.665 2.947 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 22.358 -44.407 2.099 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 22.029 -44.906 3.518 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 24.816 -46.440 3.474 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 25.295 -46.384 2.634 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 24.090 -45.786 3.377 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 22.632 -46.963 0.179 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 23.304 -47.558 -0.242 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 22.410 -47.414 1.030 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 19.561 -44.926 6.553 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.124 -45.477 5.985 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 19.468 -44.083 6.044 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 20.430 -51.764 3.637 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 20.234 -51.157 2.879 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 21.310 -52.122 3.430 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.333 -48.009 4.381 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 17.473 -47.570 4.362 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 18.272 -48.687 3.651 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 22.844 -50.158 6.485 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 21.964 -49.865 6.153 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 23.458 -49.457 6.185 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 15.309 -38.330 -7.051 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 15.396 -39.134 -7.600 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 14.353 -38.150 -7.038 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 20.324 -46.004 3.898 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 19.630 -46.677 4.035 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 19.880 -45.307 3.365 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 19.110 -35.894 11.129 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 20.064 -36.084 11.018 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 18.721 -36.770 11.365 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 21.612 -35.919 2.705 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 21.855 -36.800 2.348 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 20.725 -35.757 2.345 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 19.158 -34.889 1.929 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 19.629 -34.106 2.274 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 18.469 -35.071 2.602 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 19.853 -35.383 -0.699 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.856 -36.331 -0.879 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 19.484 -35.310 0.207 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 23.113 -34.115 -2.552 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 23.868 -33.853 -3.135 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 23.207 -35.070 -2.464 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 24.429 -48.359 -1.291 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 24.921 -49.209 -1.277 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 24.326 -48.161 -2.229 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 20.436 -50.787 -7.411 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 21.296 -50.301 -7.383 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 19.761 -50.080 -7.324 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 23.759 -50.833 -4.876 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 24.054 -49.895 -4.910 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 24.077 -51.148 -4.020 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 15.657 -28.819 -5.534 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 16.472 -29.156 -5.957 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 15.173 -29.620 -5.287 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 18.877 -48.504 -7.421 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 19.117 -47.920 -6.681 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 19.002 -47.946 -8.220 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 26.337 -46.430 -4.153 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 25.996 -45.914 -3.392 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 27.188 -46.030 -4.346 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 20.671 -53.191 6.206 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 21.306 -53.942 6.152 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.784 -52.721 5.358 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 20.417 -49.659 5.342 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 19.689 -49.076 5.060 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 20.354 -50.430 4.736 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 18.268 -33.688 -8.582 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 17.505 -33.959 -8.024 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 17.851 -33.358 -9.410 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 19.161 -43.913 19.640 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 19.481 -44.380 18.842 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 19.861 -43.272 19.839 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 21.308 -41.833 19.553 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 22.264 -41.806 19.644 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 21.164 -42.181 18.640 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 14.896 -43.800 11.853 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 15.183 -42.891 11.676 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 13.988 -43.693 12.219 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 19.756 -45.368 17.306 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.212 -46.087 17.704 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 19.631 -45.484 16.342 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 21.489 -42.013 14.656 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 21.019 -41.952 13.806 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 22.356 -42.424 14.421 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 20.037 -41.108 12.365 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 19.161 -40.747 12.113 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 20.569 -40.307 12.578 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 17.591 -38.182 20.606 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 17.003 -38.794 20.121 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 18.458 -38.650 20.614 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 19.886 -39.749 20.673 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 20.230 -40.475 20.110 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 20.358 -39.853 21.501 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 17.062 -33.375 17.057 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 17.781 -33.990 17.311 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 16.257 -33.780 17.443 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 23.681 -43.357 13.789 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 23.302 -43.892 13.053 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 24.533 -43.762 13.958 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 11.761 -46.789 13.015 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 12.398 -46.571 12.302 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 12.198 -47.498 13.514 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 16.777 -45.492 10.566 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 17.530 -44.996 10.200 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 16.334 -44.857 11.161 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 22.379 -44.761 11.865 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 21.497 -44.423 12.103 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 22.202 -45.403 11.151 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 19.749 -43.841 12.121 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 19.435 -43.960 11.209 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 19.776 -42.867 12.240 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 20.842 -42.883 17.139 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 20.561 -43.826 17.087 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 21.122 -42.665 16.220 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 18.517 -37.018 14.639 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 18.427 -37.518 13.796 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 18.771 -37.693 15.287 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 19.265 -41.751 9.807 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 19.984 -41.536 10.426 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 18.499 -41.213 10.137 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 20.107 -39.686 15.313 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 20.623 -40.514 15.231 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 20.446 -39.125 14.587 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 21.158 -34.258 17.082 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 21.795 -34.960 17.251 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 20.316 -34.601 17.460 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 19.080 -34.089 20.627 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 19.854 -33.564 20.902 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 18.984 -34.773 21.333 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 22.238 -34.154 10.537 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 21.878 -33.671 11.316 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 22.553 -33.456 9.951 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 20.877 -38.570 12.850 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 21.421 -37.971 12.292 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 19.952 -38.385 12.563 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 19.895 -33.749 14.716 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 20.539 -33.474 14.027 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 20.452 -33.978 15.488 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 21.736 -36.775 10.950 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 22.044 -35.842 10.883 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 21.975 -37.166 10.080 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 17.533 -46.799 6.991 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 18.101 -46.006 6.960 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 17.955 -47.416 6.379 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 22.289 -37.335 8.329 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 21.446 -37.204 7.848 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 22.962 -37.382 7.624 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 21.145 -32.650 12.548 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 20.216 -32.302 12.525 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 21.705 -31.843 12.507 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.630 -41.199 17.167 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 19.009 -40.519 16.570 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 19.368 -41.825 17.315 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 17.957 -47.144 18.359 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 17.337 -47.786 17.974 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 17.420 -46.648 18.998 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 17.369 -43.288 15.776 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 16.451 -43.380 16.091 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 17.722 -42.537 16.290 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 19.144 -45.040 14.567 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 19.329 -44.558 13.739 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 18.417 -44.523 14.986 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 17.048 -51.173 22.837 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 17.129 -51.426 21.887 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 17.846 -51.522 23.241 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 21.044 -31.907 20.338 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 21.879 -31.661 20.746 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 21.219 -31.843 19.371 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 18.832 -35.245 18.175 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 18.911 -34.834 19.068 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 18.512 -36.140 18.354 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 14.928 -34.593 18.389 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 15.315 -35.152 19.106 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 14.126 -35.084 18.119 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 19.991 -47.248 12.536 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 20.345 -46.760 11.771 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 19.714 -46.555 13.158 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 20.901 -46.249 10.038 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 20.239 -45.600 9.722 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 20.830 -46.982 9.415 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 22.245 -32.660 6.784 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 22.097 -33.016 5.904 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 22.830 -33.322 7.215 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 21.998 -16.253 -5.421 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 22.429 -16.394 -4.543 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 21.824 -17.163 -5.749 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 19.810 -21.733 4.566 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 20.556 -21.660 3.930 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 19.431 -22.601 4.385 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 15.357 -26.300 -4.298 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 15.976 -26.178 -3.561 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 15.588 -27.181 -4.665 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 16.387 -25.885 2.993 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 17.014 -25.998 2.265 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 15.732 -26.586 2.853 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 31.165 -16.231 -3.122 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 31.354 -15.811 -2.259 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 31.936 -16.021 -3.661 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 25.400 -17.379 0.217 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 25.891 -16.894 0.893 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 25.635 -16.922 -0.623 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 19.474 -28.363 1.703 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 20.068 -28.165 0.952 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 18.666 -27.844 1.504 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 23.629 -28.418 0.902 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 24.133 -28.252 0.096 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 23.367 -29.344 0.831 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 23.271 -19.104 0.287 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 23.157 -19.175 1.256 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 24.112 -18.609 0.182 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 19.313 -15.221 1.631 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 20.085 -14.627 1.570 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 19.227 -15.408 2.591 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 20.009 -20.695 -7.260 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 20.080 -21.617 -7.535 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 19.102 -20.613 -6.936 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 21.664 -33.398 -0.158 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 21.005 -34.080 -0.414 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 22.351 -33.468 -0.845 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 34.212 -15.304 -1.143 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 33.285 -15.211 -0.839 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 34.635 -15.830 -0.460 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 17.290 -25.915 -2.062 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 17.979 -25.394 -2.496 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 17.588 -26.849 -2.171 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 19.928 -16.891 -2.529 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 19.919 -17.536 -3.272 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 20.736 -17.117 -2.024 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 19.340 -23.158 1.317 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 20.004 -22.502 1.577 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 19.846 -24.001 1.256 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 20.892 -17.813 4.419 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 21.374 -17.550 5.218 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 20.373 -17.018 4.182 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 22.755 -26.700 2.778 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 23.433 -26.651 3.471 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 23.158 -27.277 2.086 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 26.146 -16.048 -2.045 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 27.017 -16.242 -2.449 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 25.829 -15.259 -2.530 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 22.141 -16.511 7.259 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 22.719 -16.196 7.963 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 22.692 -16.422 6.439 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 22.948 -19.030 2.985 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 22.237 -18.567 3.480 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 23.763 -18.542 3.225 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 24.878 -14.081 -3.587 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 24.365 -13.280 -3.358 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 25.359 -13.827 -4.410 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 34.043 -13.859 -3.423 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 34.201 -14.392 -2.610 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 34.902 -13.824 -3.852 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 16.691 -17.549 4.507 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 16.568 -17.249 5.430 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 17.307 -18.311 4.584 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 20.585 -30.748 3.885 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 19.678 -31.052 4.091 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 20.995 -31.518 3.436 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 17.423 -26.913 0.580 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 17.309 -26.521 -0.306 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 16.539 -27.274 0.799 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 18.167 -28.488 -2.147 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 17.522 -29.015 -1.621 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 18.486 -29.111 -2.818 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 22.385 -30.388 -5.247 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 21.832 -30.528 -6.024 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 22.077 -31.070 -4.609 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 21.663 -29.389 -2.460 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 21.671 -30.364 -2.589 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 22.037 -29.043 -3.285 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 13.536 -27.093 -6.323 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 13.789 -26.405 -5.683 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 14.269 -27.739 -6.273 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 18.636 -19.339 4.007 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 19.462 -18.841 4.192 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 18.881 -20.272 4.179 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 21.483 -32.001 -3.231 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 22.007 -32.814 -3.047 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 20.581 -32.223 -2.931 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 20.499 -27.603 -0.719 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 19.624 -27.716 -1.136 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 21.106 -28.111 -1.301 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 19.763 -18.493 -4.712 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 19.204 -17.906 -5.266 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 20.533 -18.697 -5.282 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 23.340 -16.328 -3.061 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 23.870 -15.525 -3.248 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 23.896 -16.840 -2.459 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 21.383 -17.279 -0.281 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 21.946 -16.538 -0.036 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 21.960 -18.069 -0.156 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 25.393 -17.752 3.559 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 25.942 -18.544 3.568 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 25.980 -17.058 3.186 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 26.537 -16.968 -7.936 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 27.370 -17.049 -8.415 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 26.786 -17.122 -6.991 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 27.279 -17.620 -5.404 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 26.767 -18.332 -5.009 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 27.821 -17.276 -4.662 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 28.577 -17.053 -3.021 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 28.721 -17.692 -2.314 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 29.477 -16.688 -3.200 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 25.119 -30.811 -4.910 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 24.195 -30.573 -5.130 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 25.550 -29.952 -4.727 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 21.762 -18.719 -6.599 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 21.248 -19.487 -6.947 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.605 -18.750 -7.095 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 18.957 -15.811 4.243 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 19.167 -15.511 5.156 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 18.078 -16.233 4.326 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 20.630 -18.704 8.082 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 20.791 -18.650 9.042 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 21.145 -17.963 7.714 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 24.111 -18.327 -8.098 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 24.968 -17.859 -7.980 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 24.290 -18.977 -8.787 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 21.382 -18.395 10.807 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 20.960 -19.198 11.200 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 22.320 -18.510 10.991 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 17.701 -22.383 8.733 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 18.192 -21.814 8.096 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 17.667 -21.844 9.553 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 20.864 -25.451 1.124 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 21.573 -25.796 1.700 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 20.790 -26.116 0.412 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 23.279 -27.629 5.543 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 24.096 -28.084 5.778 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 22.856 -27.432 6.413 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 23.084 -29.563 9.529 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 22.393 -30.052 9.041 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 22.988 -29.866 10.450 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 21.638 -21.460 2.498 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 22.053 -20.588 2.682 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 22.285 -21.914 1.945 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 22.137 -27.468 8.018 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 22.687 -28.109 8.522 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 21.278 -27.499 8.465 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 21.292 -33.123 2.545 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 21.670 -33.991 2.802 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 21.471 -33.066 1.575 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 19.979 -28.545 9.737 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 20.267 -29.194 9.066 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 19.375 -29.059 10.323 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 25.978 -13.104 -5.890 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 25.723 -13.564 -6.715 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 26.755 -12.586 -6.139 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 17.288 -16.719 7.123 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 16.974 -16.312 7.955 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 18.162 -16.302 6.973 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 23.585 -16.276 5.012 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 23.706 -15.404 4.572 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 24.240 -16.855 4.570 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 27.379 -15.986 2.550 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 28.023 -16.006 3.266 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 27.666 -15.232 1.996 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 31.541 -14.822 -0.764 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 30.823 -14.581 -0.163 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 31.640 -14.032 -1.345 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 28.588 -13.589 1.562 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 28.880 -13.303 0.669 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 29.023 -12.946 2.169 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 17.610 -30.790 -6.277 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.362 -31.397 -6.091 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 16.821 -31.291 -5.975 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 26.402 -28.399 -4.396 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 26.412 -27.660 -5.010 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 27.290 -28.414 -4.025 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 19.521 -14.228 -2.763 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 20.255 -13.998 -3.366 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 19.646 -15.188 -2.592 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 19.465 -32.822 -6.195 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 19.254 -33.204 -7.068 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 19.612 -33.600 -5.624 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 25.250 -14.484 -8.198 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 25.814 -15.283 -8.175 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 24.335 -14.841 -8.194 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 21.011 -30.558 7.963 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 21.483 -31.233 7.419 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 20.349 -31.084 8.470 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 21.401 -13.696 -4.647 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 22.272 -13.309 -4.454 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 21.609 -14.597 -4.984 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 18.349 -22.085 13.009 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 17.617 -22.459 13.555 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 17.886 -21.636 12.267 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 18.567 -28.894 15.280 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 19.263 -28.794 14.602 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 18.548 -29.866 15.460 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 18.143 -24.954 16.067 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 18.931 -24.651 15.574 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 18.421 -25.805 16.465 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 17.688 -17.955 11.445 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 18.539 -17.510 11.632 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 17.050 -17.489 12.002 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 20.543 -20.769 11.853 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 19.755 -21.075 12.345 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.833 -21.547 11.368 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 23.364 -27.974 14.307 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 24.132 -27.545 14.738 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 22.747 -27.233 14.133 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 20.113 -26.727 11.785 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 20.237 -27.273 10.974 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 19.166 -26.545 11.804 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 20.447 -29.018 13.284 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 19.783 -29.485 12.710 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.525 -28.130 12.878 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 18.594 -27.335 17.515 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 18.895 -27.965 18.181 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 18.574 -27.860 16.681 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 21.715 -25.777 13.841 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 21.191 -25.033 14.193 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 21.236 -26.042 13.029 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 18.498 -24.970 8.078 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 19.276 -25.085 8.624 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 18.190 -24.067 8.285 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 21.872 -29.947 15.511 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 21.209 -29.787 14.818 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 22.589 -29.315 15.299 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 17.335 -20.655 10.878 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 16.448 -20.617 10.455 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 17.565 -19.711 11.031 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 12.677 -31.433 23.810 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 12.281 -30.615 23.439 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 12.624 -31.306 24.783 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 20.115 -23.593 14.579 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 20.482 -22.869 15.099 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 19.508 -23.148 13.945 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 22.660 -30.337 12.314 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 23.440 -29.987 12.770 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 21.920 -29.799 12.665 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 19.852 -16.254 11.799 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 20.044 -15.373 11.420 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 20.549 -16.835 11.427 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 19.411 -31.838 9.678 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 19.085 -31.262 10.404 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 19.440 -32.717 10.071 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 19.054 -30.384 18.919 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 19.528 -30.600 19.743 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 19.677 -30.657 18.210 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 18.961 -20.638 7.046 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 19.583 -19.949 7.380 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 19.402 -20.991 6.245 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 12.290 -31.132 26.557 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 11.891 -30.259 26.361 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 11.520 -31.708 26.749 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 15.921 -28.479 15.846 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 16.814 -28.462 15.438 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 15.943 -29.270 16.423 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 16.885 -25.252 18.499 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 17.130 -24.759 17.696 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 17.523 -25.984 18.528 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 21.269 -31.526 17.636 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 21.280 -32.436 17.275 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 21.544 -30.959 16.872 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 18.611 -31.548 15.737 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 19.122 -32.131 15.143 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 18.027 -32.162 16.224 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 25.174 -26.282 15.482 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 24.924 -25.448 15.072 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 25.887 -26.050 16.081 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 16.910 -13.093 8.488 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 16.609 -12.694 9.338 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 16.939 -14.053 8.677 1.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 19.683 -15.324 6.809 1.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 19.729 -14.458 7.265 1.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 20.544 -15.748 7.016 1.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 19.608 -6.988 -11.272 1.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 18.761 -7.328 -10.893 1.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 19.353 -6.184 -11.737 1.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 20.829 -13.998 -7.898 1.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 21.589 -14.570 -8.129 1.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 20.325 -14.522 -7.268 1.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 24.247 -8.540 -8.405 1.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 23.900 -7.726 -8.811 1.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 24.069 -9.234 -9.074 1.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 22.896 -15.836 -7.953 1.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 22.645 -15.889 -7.004 1.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 23.182 -16.745 -8.172 1.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 26.122 -5.307 -2.679 1.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 26.352 -5.135 -1.737 1.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 26.976 -5.377 -3.122 1.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 27.150 -3.661 2.522 1.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 27.982 -4.190 2.571 1.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 27.443 -2.750 2.634 1.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 18.666 -4.834 4.875 1.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 18.544 -4.174 5.567 1.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 19.634 -5.041 4.909 1.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 19.813 -7.003 -4.250 1.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 18.878 -6.759 -4.228 1.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 20.236 -6.394 -3.610 1.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 21.585 -3.153 -0.799 1.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 21.229 -2.277 -0.621 1.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 21.712 -3.166 -1.779 1.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 29.300 -6.337 0.024 1.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 29.183 -7.311 0.107 1.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 29.904 -6.236 -0.722 1.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 30.860 -10.466 -3.715 1.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 31.247 -9.562 -3.646 1.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 30.429 -10.473 -4.599 1.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 21.736 -6.276 -2.444 1.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 21.684 -5.976 -1.509 1.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 22.456 -5.733 -2.833 1.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 26.870 -4.865 -0.105 1.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 27.718 -5.322 0.064 1.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 26.699 -4.369 0.717 1.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 31.425 -7.804 -3.762 1.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 30.576 -7.531 -4.171 1.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 32.076 -7.175 -4.119 1.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 30.669 -9.013 3.346 1.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 31.556 -9.315 3.116 1.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 30.816 -8.136 3.770 1.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 30.296 -7.981 -7.656 1.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 31.104 -7.469 -7.410 1.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 30.247 -7.894 -8.612 1.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 23.767 -5.118 -3.943 1.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 23.979 -5.532 -4.808 1.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 24.631 -5.118 -3.461 1.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 24.120 -3.508 0.419 1.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 23.249 -3.435 -0.012 1.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 24.714 -3.791 -0.288 1.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 24.217 -6.530 -6.305 1.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 24.701 -7.262 -6.727 1.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 23.295 -6.872 -6.220 1.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 28.121 -12.452 5.418 1.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 27.870 -12.546 6.342 1.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 27.315 -12.680 4.924 1.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 30.964 -6.498 4.416 1.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 31.709 -5.973 4.731 1.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 30.286 -6.407 5.132 1.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 25.039 -11.769 -8.675 1.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 24.525 -11.517 -9.466 1.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 25.073 -12.749 -8.709 1.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 22.355 -8.831 -0.213 1.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 22.277 -8.288 0.607 1.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 23.302 -9.051 -0.262 1.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 32.452 -6.436 -7.119 1.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 32.806 -6.338 -6.211 1.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 33.076 -5.951 -7.669 1.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 29.043 -7.399 -5.090 1.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 28.919 -8.358 -5.216 1.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 29.184 -7.062 -5.987 1.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 22.335 -8.232 5.273 1.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 23.052 -7.713 4.844 1.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 22.716 -8.487 6.147 1.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 23.088 -10.288 -10.246 1.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 22.739 -9.707 -10.958 1.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 22.319 -10.796 -9.963 1.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 21.689 -7.480 -6.170 1.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 21.325 -7.486 -7.080 1.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 20.912 -7.288 -5.604 1.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 29.244 -5.282 2.585 1.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 29.378 -5.701 1.710 1.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 29.891 -5.726 3.166 1.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 29.046 -9.068 0.166 1.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 28.851 -9.444 -0.723 1.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 29.508 -9.784 0.627 1.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 21.578 -8.799 -12.046 1.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 20.886 -8.179 -11.735 1.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 21.456 -8.830 -12.998 1.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 27.554 -11.087 -7.782 1.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 27.909 -10.922 -8.660 1.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 26.595 -11.233 -7.937 1.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 29.405 -10.018 -6.006 1.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 28.739 -10.513 -6.531 1.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 29.799 -9.390 -6.651 1.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 22.041 -3.081 -3.435 1.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 22.691 -3.775 -3.682 1.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 22.075 -2.455 -4.164 1.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 26.483 -12.594 3.101 1.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 26.873 -11.707 3.120 1.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 27.038 -13.083 2.461 1.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 28.592 -10.371 -2.175 1.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 29.405 -10.367 -2.732 1.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 27.871 -10.446 -2.813 1.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 28.075 -8.313 2.643 1.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 28.955 -8.563 2.984 1.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 28.121 -8.529 1.695 1.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 33.475 -6.041 -4.585 1.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 34.298 -6.455 -4.290 1.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 33.444 -5.203 -4.107 1.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 23.134 -10.632 -6.970 1.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 23.843 -11.223 -7.286 1.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 23.414 -9.747 -7.275 1.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 23.264 -5.962 -8.898 1.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 23.693 -5.851 -8.027 1.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 23.544 -5.189 -9.401 1.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 24.481 -4.191 3.026 1.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 25.426 -3.946 3.022 1.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 24.159 -3.900 2.145 1.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 20.850 -7.265 -8.806 1.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 20.433 -7.158 -9.685 1.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 21.712 -6.802 -8.895 1.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 26.938 -6.511 4.322 1.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 27.127 -5.727 3.785 1.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 27.276 -7.261 3.777 1.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 21.243 -5.627 0.183 1.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 20.385 -5.799 0.629 1.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 21.197 -4.677 -0.070 1.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 24.164 -6.631 4.069 1.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 25.091 -6.843 4.301 1.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 24.215 -5.707 3.720 1.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 23.752 -8.692 7.532 1.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 23.529 -9.012 8.434 1.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 24.684 -8.465 7.588 1.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 28.960 -6.181 6.190 1.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 28.605 -6.055 7.074 1.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 28.166 -6.293 5.626 1.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 21.237 -5.640 5.068 1.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 22.089 -5.236 4.855 1.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 21.457 -6.571 5.265 1.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 24.135 -14.008 3.554 1.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 23.617 -13.770 2.778 1.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 24.968 -13.496 3.454 1.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 19.883 -13.432 11.116 1.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 19.154 -13.238 11.721 1.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 20.388 -12.598 11.073 1.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 18.536 -7.423 3.763 1.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 18.749 -6.607 4.255 1.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 17.602 -7.598 3.988 1.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 22.382 -7.429 2.085 1.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 22.110 -6.594 1.654 1.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 23.045 -7.151 2.750 1.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 19.146 -10.775 -2.828 1.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 19.195 -11.178 -3.724 1.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 18.250 -10.990 -2.522 1.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 29.379 -11.512 3.175 1.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 29.125 -11.827 4.072 1.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 29.808 -10.650 3.338 1.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 19.449 -11.912 -5.251 1.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 20.096 -12.626 -5.049 1.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 19.733 -11.574 -6.128 1.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 29.738 -12.382 -0.629 1.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 30.517 -12.474 -1.217 1.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 29.173 -11.731 -1.088 1.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 31.798 -12.685 -2.416 1.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 32.610 -13.006 -2.873 1.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 31.514 -11.909 -2.951 1.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 20.606 -11.292 -7.692 1.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 20.673 -12.253 -7.911 1.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 21.519 -11.049 -7.407 1.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 19.654 -13.044 8.397 1.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 19.715 -13.403 9.306 1.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 18.692 -12.902 8.261 1.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 23.277 -9.545 10.089 1.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 22.544 -10.191 10.146 1.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 23.440 -9.289 11.002 1.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 20.910 -10.980 9.850 1.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 20.638 -11.639 9.180 1.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 20.537 -10.150 9.528 1.00 0.00 WAT1 END