REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -996.731, 83.7178, 111.818, 42.1655, 563.099, -593.334, -1207.07, 2.7515, 0.122182 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.471464E-03,0.450338,1.05097,42.4149,3.906755E-03,0.115629 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 40, 3 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:14 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.391 -27.466 -4.847 1.00 71.31 ATOM 2 CB MET 1 3.570 -26.309 -6.218 1.00 32.12 ATOM 3 HB1 MET 1 4.034 -25.332 -6.241 1.00 36.71 ATOM 4 HB2 MET 1 2.831 -26.361 -7.004 1.00 45.43 ATOM 5 CG MET 1 4.644 -27.354 -6.502 1.00 54.22 ATOM 6 HG1 MET 1 5.401 -27.290 -5.734 1.00 36.71 ATOM 7 HG2 MET 1 5.091 -27.141 -7.463 1.00 50.44 ATOM 8 SD MET 1 3.988 -29.037 -6.527 1.00 53.14 ATOM 9 CE MET 1 2.870 -28.953 -7.926 1.00 21.33 ATOM 10 HE1 MET 1 2.405 -29.916 -8.070 1.00 73.43 ATOM 11 HE2 MET 1 3.422 -28.681 -8.815 1.00 30.43 ATOM 12 HE3 MET 1 2.109 -28.212 -7.736 1.00 62.33 ATOM 13 C MET 1 3.896 -26.432 -3.722 1.00 61.22 ATOM 14 O MET 1 3.961 -27.333 -2.884 1.00 71.31 ATOM 15 N MET 1 1.811 -25.464 -4.690 1.00 2.04 ATOM 16 HT1 MET 1 2.229 -24.511 -4.697 1.00 36.71 ATOM 17 HT2 MET 1 1.316 -25.607 -3.785 1.00 36.71 ATOM 18 HT3 MET 1 1.116 -25.530 -5.464 1.00 36.71 ATOM 19 CA MET 1 2.868 -26.494 -4.864 1.00 15.15 ATOM 20 N GLY 2 4.690 -25.356 -3.692 1.00 51.11 ATOM 21 HN GLY 2 4.567 -24.652 -4.364 1.00 36.71 ATOM 22 CA GLY 2 5.717 -25.194 -2.661 1.00 21.15 ATOM 23 HA1 GLY 2 5.228 -25.108 -1.701 1.00 36.71 ATOM 24 HA2 GLY 2 6.256 -24.280 -2.854 1.00 51.14 ATOM 25 C GLY 2 6.721 -26.348 -2.600 1.00 65.41 ATOM 26 O GLY 2 6.938 -27.050 -3.590 1.00 51.53 ATOM 27 N HIS 3 7.344 -26.534 -1.438 1.00 15.34 ATOM 28 HN HIS 3 7.174 -25.904 -0.706 1.00 36.71 ATOM 29 CA HIS 3 8.282 -27.645 -1.218 1.00 24.31 ATOM 30 HA HIS 3 8.348 -28.209 -2.138 1.00 73.43 ATOM 31 CB HIS 3 9.676 -27.108 -0.872 1.00 2.32 ATOM 32 HB1 HIS 3 10.319 -27.937 -0.606 1.00 36.71 ATOM 33 HB2 HIS 3 9.598 -26.437 -0.029 1.00 31.44 ATOM 34 CG HIS 3 10.327 -26.362 -1.999 1.00 61.41 ATOM 35 ND1 HIS 3 10.849 -26.985 -3.113 1.00 74.32 ATOM 36 HD1 HIS 3 10.844 -27.956 -3.287 1.00 62.04 ATOM 37 CD2 HIS 3 10.541 -25.035 -2.185 1.00 30.30 ATOM 38 HD2 HIS 3 10.258 -24.240 -1.512 1.00 44.13 ATOM 39 CE1 HIS 3 11.355 -26.082 -3.927 1.00 33.52 ATOM 40 HE1 HIS 3 11.832 -26.282 -4.874 1.00 32.25 ATOM 41 NE2 HIS 3 11.181 -24.892 -3.391 1.00 13.31 ATOM 42 HE2 HIS 3 11.614 -24.070 -3.707 1.00 36.71 ATOM 43 C HIS 3 7.792 -28.593 -0.107 1.00 24.04 ATOM 44 O HIS 3 8.477 -29.556 0.240 1.00 35.00 ATOM 45 N HIS 4 6.607 -28.304 0.443 1.00 10.21 ATOM 46 HN HIS 4 6.136 -27.496 0.139 1.00 36.71 ATOM 47 CA HIS 4 5.960 -29.139 1.478 1.00 72.20 ATOM 48 HA HIS 4 4.953 -28.759 1.593 1.00 23.41 ATOM 49 CB HIS 4 5.865 -30.605 1.028 1.00 62.31 ATOM 50 HB1 HIS 4 5.352 -31.176 1.789 1.00 36.71 ATOM 51 HB2 HIS 4 6.861 -31.002 0.900 1.00 12.41 ATOM 52 CG HIS 4 5.123 -30.788 -0.263 1.00 62.20 ATOM 53 ND1 HIS 4 3.752 -30.691 -0.363 1.00 13.13 ATOM 54 HD1 HIS 4 3.136 -30.498 0.375 1.00 75.35 ATOM 55 CD2 HIS 4 5.567 -31.060 -1.513 1.00 74.15 ATOM 56 HD2 HIS 4 6.595 -31.201 -1.812 1.00 33.41 ATOM 57 CE1 HIS 4 3.386 -30.895 -1.610 1.00 15.35 ATOM 58 HE1 HIS 4 2.371 -30.881 -1.981 1.00 24.12 ATOM 59 NE2 HIS 4 4.464 -31.120 -2.330 1.00 1.11 ATOM 60 HE2 HIS 4 4.460 -31.474 -3.246 1.00 36.71 ATOM 61 C HIS 4 6.652 -29.051 2.856 1.00 41.35 ATOM 62 O HIS 4 5.987 -28.880 3.878 1.00 23.14 ATOM 63 N HIS 5 7.978 -29.175 2.889 1.00 13.10 ATOM 64 HN HIS 5 8.468 -29.280 2.049 1.00 36.71 ATOM 65 CA HIS 5 8.725 -29.159 4.156 1.00 72.51 ATOM 66 HA HIS 5 8.226 -29.837 4.836 1.00 73.05 ATOM 67 CB HIS 5 10.159 -29.655 3.938 1.00 15.32 ATOM 68 HB1 HIS 5 10.682 -29.654 4.885 1.00 36.71 ATOM 69 HB2 HIS 5 10.665 -28.987 3.255 1.00 44.04 ATOM 70 CG HIS 5 10.238 -31.039 3.371 1.00 41.13 ATOM 71 ND1 HIS 5 10.057 -32.173 4.131 1.00 45.53 ATOM 72 HD1 HIS 5 9.864 -32.194 5.094 1.00 70.32 ATOM 73 CD2 HIS 5 10.478 -31.469 2.111 1.00 74.31 ATOM 74 HD2 HIS 5 10.665 -30.849 1.246 1.00 42.00 ATOM 75 CE1 HIS 5 10.185 -33.239 3.367 1.00 22.30 ATOM 76 HE1 HIS 5 10.095 -34.265 3.694 1.00 2.43 ATOM 77 NE2 HIS 5 10.439 -32.839 2.138 1.00 21.12 ATOM 78 HE2 HIS 5 10.423 -33.419 1.345 1.00 36.71 ATOM 79 C HIS 5 8.744 -27.759 4.797 1.00 4.15 ATOM 80 O HIS 5 9.709 -27.005 4.653 1.00 4.33 ATOM 81 N HIS 6 7.665 -27.411 5.498 1.00 20.45 ATOM 82 HN HIS 6 6.925 -28.048 5.573 1.00 36.71 ATOM 83 CA HIS 6 7.558 -26.100 6.149 1.00 41.13 ATOM 84 HA HIS 6 8.354 -25.479 5.758 1.00 32.23 ATOM 85 CB HIS 6 6.214 -25.428 5.805 1.00 34.35 ATOM 86 HB1 HIS 6 6.203 -25.193 4.750 1.00 36.71 ATOM 87 HB2 HIS 6 6.124 -24.510 6.368 1.00 52.11 ATOM 88 CG HIS 6 5.006 -26.265 6.101 1.00 73.22 ATOM 89 ND1 HIS 6 4.496 -27.186 5.213 1.00 62.13 ATOM 90 HD1 HIS 6 4.848 -27.374 4.316 1.00 43.43 ATOM 91 CD2 HIS 6 4.206 -26.325 7.195 1.00 52.20 ATOM 92 HD2 HIS 6 4.303 -25.734 8.094 1.00 75.30 ATOM 93 CE1 HIS 6 3.444 -27.775 5.744 1.00 62.43 ATOM 94 HE1 HIS 6 2.846 -28.539 5.275 1.00 44.14 ATOM 95 NE2 HIS 6 3.250 -27.271 6.943 1.00 62.33 ATOM 96 HE2 HIS 6 2.525 -27.525 7.552 1.00 36.71 ATOM 97 C HIS 6 7.741 -26.199 7.672 1.00 50.22 ATOM 98 O HIS 6 6.852 -26.649 8.396 1.00 42.01 ATOM 99 N HIS 7 8.922 -25.809 8.142 1.00 52.44 ATOM 100 HN HIS 7 9.637 -25.605 7.502 1.00 36.71 ATOM 101 CA HIS 7 9.200 -25.687 9.578 1.00 40.33 ATOM 102 HA HIS 7 8.251 -25.639 10.097 1.00 33.02 ATOM 103 CB HIS 7 9.987 -26.903 10.091 1.00 52.01 ATOM 104 HB1 HIS 7 10.289 -26.727 11.115 1.00 36.71 ATOM 105 HB2 HIS 7 10.868 -27.035 9.481 1.00 11.43 ATOM 106 CG HIS 7 9.207 -28.184 10.056 1.00 40.34 ATOM 107 ND1 HIS 7 9.551 -29.256 9.263 1.00 55.23 ATOM 108 HD1 HIS 7 10.325 -29.297 8.661 1.00 21.42 ATOM 109 CD2 HIS 7 8.092 -28.564 10.728 1.00 55.32 ATOM 110 HD2 HIS 7 7.542 -27.973 11.448 1.00 50.32 ATOM 111 CE1 HIS 7 8.689 -30.233 9.444 1.00 61.31 ATOM 112 HE1 HIS 7 8.715 -31.196 8.955 1.00 74.21 ATOM 113 NE2 HIS 7 7.795 -29.841 10.326 1.00 14.31 ATOM 114 HE2 HIS 7 6.979 -30.338 10.560 1.00 36.71 ATOM 115 C HIS 7 9.978 -24.397 9.868 1.00 54.51 ATOM 116 O HIS 7 9.790 -23.763 10.904 1.00 30.44 ATOM 117 N HIS 8 10.853 -24.009 8.940 1.00 61.23 ATOM 118 HN HIS 8 10.983 -24.564 8.141 1.00 36.71 ATOM 119 CA HIS 8 11.633 -22.776 9.086 1.00 34.44 ATOM 120 HA HIS 8 11.692 -22.546 10.141 1.00 1.31 ATOM 121 CB HIS 8 13.056 -22.972 8.550 1.00 53.01 ATOM 122 HB1 HIS 8 13.612 -22.053 8.675 1.00 36.71 ATOM 123 HB2 HIS 8 13.007 -23.215 7.497 1.00 60.34 ATOM 124 CG HIS 8 13.812 -24.066 9.237 1.00 22.41 ATOM 125 ND1 HIS 8 14.403 -23.912 10.471 1.00 75.50 ATOM 126 HD1 HIS 8 14.395 -23.094 11.013 1.00 45.42 ATOM 127 CD2 HIS 8 14.072 -25.340 8.859 1.00 41.15 ATOM 128 HD2 HIS 8 13.760 -25.811 7.936 1.00 11.23 ATOM 129 CE1 HIS 8 14.993 -25.036 10.819 1.00 12.25 ATOM 130 HE1 HIS 8 15.538 -25.205 11.736 1.00 73.42 ATOM 131 NE2 HIS 8 14.809 -25.920 9.860 1.00 62.34 ATOM 132 HE2 HIS 8 15.328 -26.747 9.765 1.00 36.71 ATOM 133 C HIS 8 10.963 -21.595 8.370 1.00 51.54 ATOM 134 O HIS 8 11.231 -21.332 7.199 1.00 35.02 ATOM 135 N SER 9 10.071 -20.902 9.070 1.00 53.13 ATOM 136 HN SER 9 9.798 -21.231 9.953 1.00 36.71 ATOM 137 CA SER 9 9.464 -19.667 8.546 1.00 70.31 ATOM 138 HA SER 9 9.259 -19.813 7.494 1.00 33.43 ATOM 139 CB SER 9 8.147 -19.362 9.278 1.00 1.51 ATOM 140 HB1 SER 9 7.452 -20.171 9.109 1.00 36.71 ATOM 141 HB2 SER 9 7.726 -18.443 8.897 1.00 15.12 ATOM 142 OG SER 9 8.353 -19.222 10.677 1.00 44.04 ATOM 143 HG SER 9 7.533 -19.436 11.143 1.00 70.32 ATOM 144 C SER 9 10.434 -18.488 8.701 1.00 22.24 ATOM 145 O SER 9 10.438 -17.553 7.902 1.00 11.34 ATOM 146 N HIS 10 11.268 -18.562 9.735 1.00 3.15 ATOM 147 HN HIS 10 11.209 -19.340 10.327 1.00 36.71 ATOM 148 CA HIS 10 12.275 -17.535 10.019 1.00 20.03 ATOM 149 HA HIS 10 12.605 -17.120 9.075 1.00 32.22 ATOM 150 CB HIS 10 11.657 -16.416 10.869 1.00 11.41 ATOM 151 HB1 HIS 10 10.951 -15.861 10.264 1.00 36.71 ATOM 152 HB2 HIS 10 12.439 -15.748 11.199 1.00 24.32 ATOM 153 CG HIS 10 10.932 -16.915 12.083 1.00 54.30 ATOM 154 ND1 HIS 10 9.584 -17.186 12.087 1.00 40.22 ATOM 155 HD1 HIS 10 8.974 -17.076 11.324 1.00 4.33 ATOM 156 CD2 HIS 10 11.369 -17.195 13.334 1.00 2.23 ATOM 157 HD2 HIS 10 12.384 -17.094 13.696 1.00 52.30 ATOM 158 CE1 HIS 10 9.221 -17.608 13.279 1.00 64.13 ATOM 159 HE1 HIS 10 8.220 -17.893 13.567 1.00 24.53 ATOM 160 NE2 HIS 10 10.281 -17.625 14.061 1.00 41.14 ATOM 161 HE2 HIS 10 10.232 -17.635 15.043 1.00 36.71 ATOM 162 C HIS 10 13.490 -18.154 10.735 1.00 24.23 ATOM 163 O HIS 10 13.430 -19.296 11.195 1.00 21.14 ATOM 164 N MET 11 14.582 -17.402 10.833 1.00 23.33 ATOM 165 HN MET 11 14.563 -16.485 10.483 1.00 36.71 ATOM 166 CA MET 11 15.816 -17.902 11.458 1.00 71.10 ATOM 167 HA MET 11 15.835 -18.978 11.350 1.00 62.34 ATOM 168 CB MET 11 17.040 -17.312 10.741 1.00 30.43 ATOM 169 HB1 MET 11 17.935 -17.710 11.196 1.00 36.71 ATOM 170 HB2 MET 11 17.031 -16.239 10.864 1.00 1.32 ATOM 171 CG MET 11 17.091 -17.618 9.248 1.00 13.30 ATOM 172 HG1 MET 11 16.184 -17.254 8.788 1.00 36.71 ATOM 173 HG2 MET 11 17.158 -18.688 9.113 1.00 11.43 ATOM 174 SD MET 11 18.503 -16.848 8.426 1.00 40.32 ATOM 175 CE MET 11 18.167 -15.110 8.720 1.00 62.11 ATOM 176 HE1 MET 11 18.965 -14.512 8.303 1.00 11.11 ATOM 177 HE2 MET 11 18.103 -14.931 9.783 1.00 52.53 ATOM 178 HE3 MET 11 17.231 -14.839 8.252 1.00 24.34 ATOM 179 C MET 11 15.877 -17.556 12.958 1.00 53.05 ATOM 180 O MET 11 15.021 -16.837 13.478 1.00 53.54 ATOM 181 N ASN 12 16.885 -18.102 13.648 1.00 13.10 ATOM 182 HN ASN 12 17.463 -18.754 13.195 1.00 36.71 ATOM 183 CA ASN 12 17.167 -17.768 15.059 1.00 34.13 ATOM 184 HA ASN 12 18.033 -18.340 15.356 1.00 31.54 ATOM 185 CB ASN 12 17.500 -16.278 15.190 1.00 71.40 ATOM 186 HB1 ASN 12 17.705 -16.050 16.227 1.00 36.71 ATOM 187 HB2 ASN 12 16.652 -15.695 14.859 1.00 34.43 ATOM 188 CG ASN 12 18.707 -15.881 14.360 1.00 61.33 ATOM 189 OD1 ASN 12 18.585 -15.541 13.188 1.00 33.03 ATOM 190 ND2 ASN 12 19.878 -15.909 14.958 1.00 52.00 ATOM 191 HD21 ASN 12 19.911 -16.183 15.900 1.00 23.54 ATOM 192 HD22 ASN 12 20.665 -15.648 14.441 1.00 32.14 ATOM 193 C ASN 12 16.008 -18.128 16.009 1.00 64.41 ATOM 194 O ASN 12 15.964 -17.655 17.146 1.00 32.42 ATOM 195 N SER 13 15.095 -18.989 15.555 1.00 62.44 ATOM 196 HN SER 13 15.200 -19.353 14.652 1.00 36.71 ATOM 197 CA SER 13 13.929 -19.399 16.361 1.00 44.20 ATOM 198 HA SER 13 13.260 -18.550 16.423 1.00 63.22 ATOM 199 CB SER 13 13.188 -20.565 15.685 1.00 22.32 ATOM 200 HB1 SER 13 12.323 -20.833 16.277 1.00 36.71 ATOM 201 HB2 SER 13 13.850 -21.415 15.615 1.00 64.24 ATOM 202 OG SER 13 12.755 -20.219 14.377 1.00 62.03 ATOM 203 HG SER 13 11.813 -20.407 14.294 1.00 33.11 ATOM 204 C SER 13 14.324 -19.811 17.789 1.00 4.13 ATOM 205 O SER 13 13.593 -19.546 18.743 1.00 15.42 ATOM 206 N ALA 14 15.494 -20.440 17.926 1.00 70.40 ATOM 207 HN ALA 14 16.041 -20.594 17.128 1.00 36.71 ATOM 208 CA ALA 14 15.990 -20.911 19.227 1.00 63.45 ATOM 209 HA ALA 14 15.312 -21.681 19.574 1.00 71.03 ATOM 210 CB ALA 14 17.369 -21.544 19.061 1.00 42.10 ATOM 211 HB1 ALA 14 17.316 -22.343 18.336 1.00 53.42 ATOM 212 HB2 ALA 14 17.703 -21.942 20.010 1.00 12.13 ATOM 213 HB3 ALA 14 18.071 -20.797 18.720 1.00 72.04 ATOM 214 C ALA 14 16.041 -19.786 20.280 1.00 42.44 ATOM 215 O ALA 14 15.674 -19.996 21.437 1.00 0.22 ATOM 216 N GLU 15 16.486 -18.593 19.872 1.00 12.05 ATOM 217 HN GLU 15 16.745 -18.477 18.935 1.00 36.71 ATOM 218 CA GLU 15 16.580 -17.441 20.785 1.00 70.33 ATOM 219 HA GLU 15 17.258 -17.708 21.583 1.00 73.11 ATOM 220 CB GLU 15 17.139 -16.210 20.049 1.00 0.15 ATOM 221 HB1 GLU 15 17.088 -15.357 20.713 1.00 36.71 ATOM 222 HB2 GLU 15 16.521 -16.013 19.184 1.00 10.43 ATOM 223 CG GLU 15 18.583 -16.358 19.576 1.00 14.33 ATOM 224 HG1 GLU 15 18.647 -17.219 18.924 1.00 36.71 ATOM 225 HG2 GLU 15 19.217 -16.514 20.437 1.00 1.25 ATOM 226 CD GLU 15 19.079 -15.130 18.822 1.00 21.23 ATOM 227 OE1 GLU 15 19.521 -15.269 17.660 1.00 4.42 ATOM 228 OE2 GLU 15 19.005 -14.014 19.381 1.00 21.23 ATOM 229 C GLU 15 15.211 -17.097 21.395 1.00 31.31 ATOM 230 O GLU 15 15.018 -17.172 22.611 1.00 71.42 ATOM 231 N GLN 16 14.262 -16.725 20.537 1.00 41.55 ATOM 232 HN GLN 16 14.485 -16.661 19.583 1.00 36.71 ATOM 233 CA GLN 16 12.901 -16.385 20.977 1.00 40.24 ATOM 234 HA GLN 16 12.995 -15.612 21.727 1.00 35.13 ATOM 235 CB GLN 16 12.088 -15.819 19.802 1.00 53.04 ATOM 236 HB1 GLN 16 12.459 -14.831 19.571 1.00 36.71 ATOM 237 HB2 GLN 16 11.052 -15.740 20.100 1.00 62.42 ATOM 238 CG GLN 16 12.155 -16.655 18.531 1.00 4.13 ATOM 239 HG1 GLN 16 11.686 -17.610 18.716 1.00 36.71 ATOM 240 HG2 GLN 16 13.193 -16.810 18.271 1.00 13.43 ATOM 241 CD GLN 16 11.454 -15.988 17.360 1.00 24.44 ATOM 242 OE1 GLN 16 10.453 -15.299 17.524 1.00 31.13 ATOM 243 NE2 GLN 16 11.993 -16.157 16.171 1.00 40.43 ATOM 244 HE21 GLN 16 12.807 -16.694 16.103 1.00 23.32 ATOM 245 HE22 GLN 16 11.563 -15.716 15.407 1.00 42.13 ATOM 246 C GLN 16 12.172 -17.581 21.620 1.00 14.00 ATOM 247 O GLN 16 11.209 -17.394 22.367 1.00 64.44 ATOM 248 N THR 17 12.631 -18.803 21.338 1.00 32.35 ATOM 249 HN THR 17 13.341 -18.905 20.668 1.00 36.71 ATOM 250 CA THR 17 12.095 -19.996 22.015 1.00 23.55 ATOM 251 HA THR 17 11.016 -19.968 21.923 1.00 14.11 ATOM 252 CB THR 17 12.602 -21.314 21.374 1.00 3.23 ATOM 253 HB THR 17 13.684 -21.313 21.396 1.00 52.10 ATOM 254 OG1 THR 17 12.166 -21.402 20.007 1.00 12.12 ATOM 255 HG1 THR 17 12.214 -20.532 19.600 1.00 23.15 ATOM 256 CG2 THR 17 12.102 -22.537 22.142 1.00 23.35 ATOM 257 HG21 THR 17 12.461 -23.436 21.661 1.00 70.04 ATOM 258 HG22 THR 17 11.021 -22.543 22.153 1.00 73.14 ATOM 259 HG23 THR 17 12.471 -22.502 23.157 1.00 64.20 ATOM 260 C THR 17 12.462 -19.978 23.506 1.00 51.05 ATOM 261 O THR 17 11.639 -20.308 24.363 1.00 11.12 ATOM 262 N VAL 18 13.700 -19.577 23.813 1.00 33.50 ATOM 263 HN VAL 18 14.343 -19.414 23.089 1.00 36.71 ATOM 264 CA VAL 18 14.121 -19.377 25.206 1.00 44.44 ATOM 265 HA VAL 18 14.043 -20.326 25.721 1.00 55.54 ATOM 266 CB VAL 18 15.589 -18.877 25.303 1.00 62.23 ATOM 267 HB VAL 18 15.639 -17.896 24.847 1.00 10.23 ATOM 268 CG1 VAL 18 16.023 -18.737 26.762 1.00 61.43 ATOM 269 HG11 VAL 18 17.044 -18.383 26.803 1.00 1.33 ATOM 270 HG12 VAL 18 15.956 -19.698 27.253 1.00 34.10 ATOM 271 HG13 VAL 18 15.378 -18.031 27.265 1.00 1.23 ATOM 272 CG2 VAL 18 16.539 -19.801 24.542 1.00 44.24 ATOM 273 HG21 VAL 18 17.545 -19.411 24.598 1.00 21.24 ATOM 274 HG22 VAL 18 16.234 -19.858 23.507 1.00 63.21 ATOM 275 HG23 VAL 18 16.512 -20.790 24.979 1.00 15.42 ATOM 276 C VAL 18 13.204 -18.354 25.895 1.00 5.50 ATOM 277 O VAL 18 12.624 -18.626 26.947 1.00 40.45 ATOM 278 N THR 19 13.062 -17.184 25.268 1.00 61.25 ATOM 279 HN THR 19 13.576 -17.022 24.446 1.00 36.71 ATOM 280 CA THR 19 12.178 -16.122 25.772 1.00 35.02 ATOM 281 HA THR 19 12.580 -15.773 26.715 1.00 70.35 ATOM 282 CB THR 19 12.131 -14.924 24.794 1.00 21.15 ATOM 283 HB THR 19 11.669 -15.247 23.871 1.00 31.22 ATOM 284 OG1 THR 19 13.461 -14.466 24.514 1.00 5.10 ATOM 285 HG1 THR 19 13.737 -13.849 25.203 1.00 60.01 ATOM 286 CG2 THR 19 11.313 -13.772 25.370 1.00 43.52 ATOM 287 HG21 THR 19 11.745 -13.460 26.310 1.00 3.34 ATOM 288 HG22 THR 19 10.295 -14.096 25.534 1.00 45.41 ATOM 289 HG23 THR 19 11.318 -12.943 24.677 1.00 21.14 ATOM 290 C THR 19 10.746 -16.633 25.996 1.00 4.34 ATOM 291 O THR 19 10.095 -16.281 26.981 1.00 64.20 ATOM 292 N TRP 20 10.268 -17.469 25.075 1.00 63.01 ATOM 293 HN TRP 20 10.826 -17.685 24.296 1.00 36.71 ATOM 294 CA TRP 20 8.937 -18.076 25.184 1.00 54.11 ATOM 295 HA TRP 20 8.215 -17.272 25.239 1.00 53.43 ATOM 296 CB TRP 20 8.644 -18.919 23.932 1.00 44.01 ATOM 297 HB1 TRP 20 9.430 -19.652 23.811 1.00 36.71 ATOM 298 HB2 TRP 20 8.632 -18.271 23.066 1.00 54.52 ATOM 299 CG TRP 20 7.332 -19.650 23.979 1.00 2.51 ATOM 300 CD1 TRP 20 6.090 -19.108 24.168 1.00 11.02 ATOM 301 HD1 TRP 20 5.900 -18.055 24.320 1.00 53.04 ATOM 302 CD2 TRP 20 7.133 -21.060 23.816 1.00 31.53 ATOM 303 NE1 TRP 20 5.135 -20.097 24.136 1.00 53.31 ATOM 304 HE1 TRP 20 4.164 -19.961 24.249 1.00 71.40 ATOM 305 CE2 TRP 20 5.751 -21.303 23.923 1.00 64.14 ATOM 306 CE3 TRP 20 7.992 -22.139 23.591 1.00 4.12 ATOM 307 HE3 TRP 20 9.059 -21.994 23.503 1.00 63.31 ATOM 308 CZ2 TRP 20 5.209 -22.581 23.814 1.00 43.34 ATOM 309 HZ2 TRP 20 4.146 -22.761 23.897 1.00 62.11 ATOM 310 CZ3 TRP 20 7.453 -23.407 23.482 1.00 13.45 ATOM 311 HZ3 TRP 20 8.102 -24.253 23.311 1.00 34.51 ATOM 312 CH2 TRP 20 6.074 -23.618 23.593 1.00 24.23 ATOM 313 HH2 TRP 20 5.697 -24.626 23.504 1.00 71.42 ATOM 314 C TRP 20 8.816 -18.936 26.456 1.00 13.41 ATOM 315 O TRP 20 7.836 -18.839 27.196 1.00 21.23 ATOM 316 N LEU 21 9.824 -19.764 26.716 1.00 13.34 ATOM 317 HN LEU 21 10.569 -19.826 26.077 1.00 36.71 ATOM 318 CA LEU 21 9.847 -20.595 27.927 1.00 14.25 ATOM 319 HA LEU 21 8.908 -21.129 27.974 1.00 21.43 ATOM 320 CB LEU 21 10.992 -21.616 27.844 1.00 62.53 ATOM 321 HB1 LEU 21 10.998 -22.195 28.758 1.00 36.71 ATOM 322 HB2 LEU 21 11.928 -21.074 27.779 1.00 45.05 ATOM 323 CG LEU 21 10.919 -22.592 26.658 1.00 75.44 ATOM 324 HG LEU 21 10.947 -22.027 25.737 1.00 41.53 ATOM 325 CD1 LEU 21 12.120 -23.534 26.663 1.00 21.40 ATOM 326 HD11 LEU 21 13.032 -22.956 26.612 1.00 74.40 ATOM 327 HD12 LEU 21 12.064 -24.193 25.810 1.00 25.11 ATOM 328 HD13 LEU 21 12.116 -24.120 27.573 1.00 13.42 ATOM 329 CD2 LEU 21 9.613 -23.386 26.683 1.00 11.24 ATOM 330 HD21 LEU 21 8.775 -22.709 26.596 1.00 21.11 ATOM 331 HD22 LEU 21 9.538 -23.931 27.613 1.00 23.22 ATOM 332 HD23 LEU 21 9.597 -24.082 25.856 1.00 24.22 ATOM 333 C LEU 21 9.981 -19.732 29.201 1.00 62.22 ATOM 334 O LEU 21 9.460 -20.082 30.266 1.00 43.23 ATOM 335 N ILE 22 10.672 -18.599 29.080 1.00 54.12 ATOM 336 HN ILE 22 11.095 -18.392 28.219 1.00 36.71 ATOM 337 CA ILE 22 10.833 -17.658 30.196 1.00 3.15 ATOM 338 HA ILE 22 11.155 -18.222 31.064 1.00 62.54 ATOM 339 CB ILE 22 11.916 -16.595 29.880 1.00 73.23 ATOM 340 HB ILE 22 11.626 -16.084 28.972 1.00 3.02 ATOM 341 CG1 ILE 22 13.281 -17.268 29.660 1.00 11.44 ATOM 342 HG11 ILE 22 13.184 -18.023 28.893 1.00 36.71 ATOM 343 HG12 ILE 22 13.599 -17.738 30.580 1.00 20.14 ATOM 344 CG2 ILE 22 11.998 -15.557 30.999 1.00 75.22 ATOM 345 HG21 ILE 22 11.047 -15.051 31.093 1.00 21.35 ATOM 346 HG22 ILE 22 12.767 -14.833 30.768 1.00 41.33 ATOM 347 HG23 ILE 22 12.236 -16.049 31.931 1.00 52.33 ATOM 348 CD1 ILE 22 14.372 -16.310 29.231 1.00 11.40 ATOM 349 HD11 ILE 22 14.086 -15.827 28.309 1.00 22.51 ATOM 350 HD12 ILE 22 15.291 -16.858 29.078 1.00 1.10 ATOM 351 HD13 ILE 22 14.522 -15.564 29.998 1.00 62.12 ATOM 352 C ILE 22 9.511 -16.944 30.532 1.00 40.21 ATOM 353 O ILE 22 9.115 -16.864 31.697 1.00 35.12 ATOM 354 N THR 23 8.824 -16.433 29.508 1.00 13.40 ATOM 355 HN THR 23 9.174 -16.545 28.598 1.00 36.71 ATOM 356 CA THR 23 7.563 -15.698 29.714 1.00 13.23 ATOM 357 HA THR 23 7.758 -14.925 30.447 1.00 43.04 ATOM 358 CB THR 23 7.066 -15.006 28.419 1.00 5.11 ATOM 359 HB THR 23 7.843 -14.342 28.064 1.00 41.33 ATOM 360 OG1 THR 23 5.887 -14.235 28.691 1.00 11.43 ATOM 361 HG1 THR 23 5.413 -14.076 27.863 1.00 64.33 ATOM 362 CG2 THR 23 6.758 -16.018 27.321 1.00 71.23 ATOM 363 HG21 THR 23 6.400 -15.500 26.444 1.00 44.02 ATOM 364 HG22 THR 23 5.999 -16.707 27.666 1.00 4.34 ATOM 365 HG23 THR 23 7.655 -16.567 27.074 1.00 33.44 ATOM 366 C THR 23 6.450 -16.609 30.260 1.00 13.34 ATOM 367 O THR 23 5.491 -16.135 30.873 1.00 32.43 ATOM 368 N LEU 24 6.579 -17.919 30.028 1.00 2.50 ATOM 369 HN LEU 24 7.310 -18.228 29.451 1.00 36.71 ATOM 370 CA LEU 24 5.648 -18.910 30.596 1.00 23.22 ATOM 371 HA LEU 24 4.680 -18.435 30.693 1.00 21.13 ATOM 372 CB LEU 24 5.511 -20.119 29.655 1.00 32.03 ATOM 373 HB1 LEU 24 4.890 -20.859 30.140 1.00 36.71 ATOM 374 HB2 LEU 24 6.495 -20.544 29.505 1.00 50.24 ATOM 375 CG LEU 24 4.900 -19.806 28.278 1.00 55.04 ATOM 376 HG LEU 24 5.520 -19.075 27.780 1.00 51.40 ATOM 377 CD1 LEU 24 4.860 -21.055 27.402 1.00 31.13 ATOM 378 HD11 LEU 24 4.263 -21.816 27.883 1.00 33.52 ATOM 379 HD12 LEU 24 5.865 -21.426 27.255 1.00 24.44 ATOM 380 HD13 LEU 24 4.426 -20.809 26.443 1.00 51.22 ATOM 381 CD2 LEU 24 3.500 -19.212 28.428 1.00 74.31 ATOM 382 HD21 LEU 24 3.107 -18.967 27.452 1.00 35.10 ATOM 383 HD22 LEU 24 3.547 -18.316 29.030 1.00 44.33 ATOM 384 HD23 LEU 24 2.850 -19.932 28.905 1.00 10.12 ATOM 385 C LEU 24 6.106 -19.374 31.992 1.00 63.24 ATOM 386 O LEU 24 5.439 -20.182 32.637 1.00 54.21 ATOM 387 N GLY 25 7.256 -18.863 32.439 1.00 24.20 ATOM 388 HN GLY 25 7.769 -18.269 31.854 1.00 36.71 ATOM 389 CA GLY 25 7.761 -19.161 33.781 1.00 21.41 ATOM 390 HA1 GLY 25 6.971 -18.978 34.496 1.00 36.71 ATOM 391 HA2 GLY 25 8.579 -18.488 33.997 1.00 70.50 ATOM 392 C GLY 25 8.260 -20.597 33.959 1.00 52.52 ATOM 393 O GLY 25 8.422 -21.066 35.089 1.00 2.11 ATOM 394 N VAL 26 8.515 -21.299 32.856 1.00 51.55 ATOM 395 HN VAL 26 8.390 -20.875 31.982 1.00 36.71 ATOM 396 CA VAL 26 8.976 -22.695 32.925 1.00 3.33 ATOM 397 HA VAL 26 8.707 -23.078 33.902 1.00 15.44 ATOM 398 CB VAL 26 8.279 -23.580 31.863 1.00 13.15 ATOM 399 HB VAL 26 8.634 -24.596 31.985 1.00 54.32 ATOM 400 CG1 VAL 26 6.771 -23.581 32.084 1.00 50.44 ATOM 401 HG11 VAL 26 6.548 -23.989 33.060 1.00 63.34 ATOM 402 HG12 VAL 26 6.295 -24.184 31.327 1.00 32.33 ATOM 403 HG13 VAL 26 6.396 -22.568 32.024 1.00 45.32 ATOM 404 CG2 VAL 26 8.620 -23.124 30.446 1.00 74.25 ATOM 405 HG21 VAL 26 8.144 -23.780 29.731 1.00 24.10 ATOM 406 HG22 VAL 26 9.691 -23.154 30.303 1.00 74.20 ATOM 407 HG23 VAL 26 8.266 -22.115 30.296 1.00 4.31 ATOM 408 C VAL 26 10.503 -22.809 32.776 1.00 24.35 ATOM 409 O VAL 26 11.104 -23.798 33.202 1.00 12.42 ATOM 410 N LEU 27 11.120 -21.797 32.174 1.00 14.13 ATOM 411 HN LEU 27 10.582 -21.071 31.795 1.00 36.71 ATOM 412 CA LEU 27 12.583 -21.733 32.057 1.00 61.14 ATOM 413 HA LEU 27 12.999 -22.552 32.630 1.00 74.11 ATOM 414 CB LEU 27 13.015 -21.882 30.590 1.00 21.42 ATOM 415 HB1 LEU 27 12.577 -21.072 30.025 1.00 36.71 ATOM 416 HB2 LEU 27 12.612 -22.813 30.215 1.00 23.34 ATOM 417 CG LEU 27 14.536 -21.875 30.338 1.00 43.22 ATOM 418 HG LEU 27 14.952 -20.952 30.721 1.00 41.43 ATOM 419 CD1 LEU 27 15.217 -23.030 31.070 1.00 52.22 ATOM 420 HD11 LEU 27 14.804 -23.970 30.732 1.00 5.54 ATOM 421 HD12 LEU 27 15.054 -22.928 32.133 1.00 71.11 ATOM 422 HD13 LEU 27 16.279 -23.009 30.869 1.00 41.40 ATOM 423 CD2 LEU 27 14.831 -21.935 28.839 1.00 45.32 ATOM 424 HD21 LEU 27 15.900 -21.914 28.681 1.00 23.32 ATOM 425 HD22 LEU 27 14.380 -21.084 28.351 1.00 65.02 ATOM 426 HD23 LEU 27 14.422 -22.846 28.423 1.00 64.12 ATOM 427 C LEU 27 13.111 -20.412 32.633 1.00 53.43 ATOM 428 O LEU 27 12.511 -19.352 32.438 1.00 40.42 ATOM 429 N GLU 28 14.224 -20.485 33.351 1.00 64.43 ATOM 430 HN GLU 28 14.660 -21.355 33.466 1.00 36.71 ATOM 431 CA GLU 28 14.821 -19.300 33.975 1.00 3.13 ATOM 432 HA GLU 28 14.016 -18.713 34.397 1.00 31.14 ATOM 433 CB GLU 28 15.764 -19.724 35.108 1.00 70.52 ATOM 434 HB1 GLU 28 15.193 -20.264 35.849 1.00 36.71 ATOM 435 HB2 GLU 28 16.178 -18.836 35.566 1.00 54.11 ATOM 436 CG GLU 28 16.918 -20.612 34.652 1.00 23.10 ATOM 437 HG1 GLU 28 17.584 -20.024 34.036 1.00 36.71 ATOM 438 HG2 GLU 28 16.518 -21.429 34.066 1.00 0.53 ATOM 439 CD GLU 28 17.709 -21.190 35.814 1.00 31.34 ATOM 440 OE1 GLU 28 17.370 -22.301 36.278 1.00 72.42 ATOM 441 OE2 GLU 28 18.670 -20.537 36.276 1.00 22.21 ATOM 442 C GLU 28 15.571 -18.432 32.950 1.00 60.43 ATOM 443 O GLU 28 16.057 -18.926 31.932 1.00 4.23 ATOM 444 N SER 29 15.657 -17.133 33.229 1.00 55.21 ATOM 445 HN SER 29 15.265 -16.801 34.062 1.00 36.71 ATOM 446 CA SER 29 16.331 -16.186 32.328 1.00 32.40 ATOM 447 HA SER 29 15.968 -16.378 31.330 1.00 45.21 ATOM 448 CB SER 29 15.975 -14.739 32.707 1.00 40.35 ATOM 449 HB1 SER 29 14.935 -14.553 32.475 1.00 36.71 ATOM 450 HB2 SER 29 16.594 -14.057 32.141 1.00 63.23 ATOM 451 OG SER 29 16.182 -14.500 34.092 1.00 2.32 ATOM 452 HG SER 29 17.052 -14.106 34.228 1.00 44.34 ATOM 453 C SER 29 17.858 -16.374 32.343 1.00 11.25 ATOM 454 O SER 29 18.459 -16.558 33.403 1.00 70.11 ATOM 455 N PRO 30 18.511 -16.314 31.162 1.00 71.30 ATOM 456 CA PRO 30 19.963 -16.554 31.039 1.00 50.45 ATOM 457 HA PRO 30 20.218 -17.554 31.365 1.00 22.21 ATOM 458 CB PRO 30 20.220 -16.432 29.526 1.00 3.54 ATOM 459 HB1 PRO 30 20.241 -17.418 29.082 1.00 36.71 ATOM 460 HB2 PRO 30 21.165 -15.937 29.350 1.00 11.10 ATOM 461 CG PRO 30 19.078 -15.630 29.005 1.00 15.31 ATOM 462 HG1 PRO 30 18.893 -15.879 27.970 1.00 36.71 ATOM 463 HG2 PRO 30 19.294 -14.574 29.106 1.00 0.04 ATOM 464 CD PRO 30 17.897 -16.008 29.855 1.00 3.20 ATOM 465 HD1 PRO 30 17.398 -16.878 29.450 1.00 36.71 ATOM 466 HD2 PRO 30 17.209 -15.179 29.935 1.00 64.55 ATOM 467 C PRO 30 20.823 -15.541 31.820 1.00 25.43 ATOM 468 O PRO 30 20.508 -14.349 31.879 1.00 41.24 ATOM 469 N LYS 31 21.912 -16.030 32.410 1.00 70.30 ATOM 470 HN LYS 31 22.089 -16.992 32.342 1.00 36.71 ATOM 471 CA LYS 31 22.849 -15.190 33.168 1.00 4.41 ATOM 472 HA LYS 31 22.299 -14.696 33.955 1.00 1.32 ATOM 473 CB LYS 31 23.942 -16.072 33.794 1.00 31.23 ATOM 474 HB1 LYS 31 24.623 -15.442 34.350 1.00 36.71 ATOM 475 HB2 LYS 31 24.491 -16.559 33.000 1.00 4.30 ATOM 476 CG LYS 31 23.410 -17.151 34.738 1.00 74.12 ATOM 477 HG1 LYS 31 24.207 -17.849 34.958 1.00 36.71 ATOM 478 HG2 LYS 31 22.602 -17.676 34.246 1.00 41.21 ATOM 479 CD LYS 31 22.886 -16.566 36.050 1.00 54.11 ATOM 480 HD1 LYS 31 22.367 -17.342 36.595 1.00 36.71 ATOM 481 HD2 LYS 31 22.197 -15.764 35.826 1.00 11.13 ATOM 482 CE LYS 31 24.014 -16.019 36.924 1.00 51.10 ATOM 483 HE1 LYS 31 24.521 -15.231 36.385 1.00 36.71 ATOM 484 HE2 LYS 31 24.713 -16.816 37.132 1.00 22.42 ATOM 485 NZ LYS 31 23.508 -15.475 38.215 1.00 43.24 ATOM 486 HZ1 LYS 31 22.860 -14.678 38.036 1.00 42.23 ATOM 487 HZ2 LYS 31 24.301 -15.140 38.800 1.00 51.33 ATOM 488 HZ3 LYS 31 22.995 -16.212 38.741 1.00 21.22 ATOM 489 C LYS 31 23.503 -14.128 32.269 1.00 64.31 ATOM 490 O LYS 31 23.569 -12.948 32.619 1.00 10.14 ATOM 491 N LYS 32 23.977 -14.561 31.104 1.00 12.24 ATOM 492 HN LYS 32 23.835 -15.498 30.857 1.00 36.71 ATOM 493 CA LYS 32 24.691 -13.682 30.169 1.00 33.42 ATOM 494 HA LYS 32 24.371 -12.664 30.350 1.00 20.40 ATOM 495 CB LYS 32 26.205 -13.784 30.421 1.00 14.44 ATOM 496 HB1 LYS 32 26.417 -13.419 31.417 1.00 36.71 ATOM 497 HB2 LYS 32 26.722 -13.161 29.703 1.00 14.21 ATOM 498 CG LYS 32 26.749 -15.208 30.307 1.00 12.20 ATOM 499 HG1 LYS 32 26.589 -15.564 29.297 1.00 36.71 ATOM 500 HG2 LYS 32 26.213 -15.840 31.000 1.00 73.14 ATOM 501 CD LYS 32 28.240 -15.277 30.629 1.00 13.11 ATOM 502 HD1 LYS 32 28.405 -14.864 31.615 1.00 36.71 ATOM 503 HD2 LYS 32 28.784 -14.693 29.900 1.00 14.30 ATOM 504 CE LYS 32 28.767 -16.711 30.602 1.00 22.45 ATOM 505 HE1 LYS 32 29.815 -16.702 30.868 1.00 36.71 ATOM 506 HE2 LYS 32 28.655 -17.104 29.602 1.00 43.41 ATOM 507 NZ LYS 32 28.035 -17.596 31.550 1.00 24.05 ATOM 508 HZ1 LYS 32 27.075 -17.784 31.198 1.00 31.12 ATOM 509 HZ2 LYS 32 27.967 -17.144 32.485 1.00 1.14 ATOM 510 HZ3 LYS 32 28.536 -18.501 31.657 1.00 44.33 ATOM 511 C LYS 32 24.375 -14.051 28.710 1.00 62.33 ATOM 512 O LYS 32 23.519 -14.898 28.448 1.00 2.25 ATOM 513 N THR 33 25.071 -13.411 27.767 1.00 3.04 ATOM 514 HN THR 33 25.704 -12.710 28.035 1.00 36.71 ATOM 515 CA THR 33 24.907 -13.711 26.335 1.00 51.04 ATOM 516 HA THR 33 23.895 -13.452 26.055 1.00 74.21 ATOM 517 CB THR 33 25.881 -12.877 25.459 1.00 75.54 ATOM 518 HB THR 33 26.896 -13.153 25.713 1.00 73.14 ATOM 519 OG1 THR 33 25.704 -11.474 25.709 1.00 13.33 ATOM 520 HG1 THR 33 26.476 -10.991 25.378 1.00 13.43 ATOM 521 CG2 THR 33 25.660 -13.156 23.973 1.00 23.01 ATOM 522 HG21 THR 33 25.856 -14.199 23.767 1.00 74.05 ATOM 523 HG22 THR 33 26.329 -12.543 23.387 1.00 55.43 ATOM 524 HG23 THR 33 24.638 -12.923 23.710 1.00 55.23 ATOM 525 C THR 33 25.140 -15.201 26.044 1.00 61.22 ATOM 526 O THR 33 26.251 -15.710 26.203 1.00 42.12 ATOM 527 N ILE 34 24.085 -15.901 25.636 1.00 72.35 ATOM 528 HN ILE 34 23.217 -15.455 25.566 1.00 36.71 ATOM 529 CA ILE 34 24.187 -17.321 25.296 1.00 33.53 ATOM 530 HA ILE 34 24.759 -17.808 26.076 1.00 25.32 ATOM 531 CB ILE 34 22.793 -17.997 25.220 1.00 24.34 ATOM 532 HB ILE 34 22.253 -17.564 24.389 1.00 45.33 ATOM 533 CG1 ILE 34 21.998 -17.756 26.514 1.00 70.41 ATOM 534 HG11 ILE 34 21.894 -16.692 26.673 1.00 36.71 ATOM 535 HG12 ILE 34 22.532 -18.188 27.348 1.00 3.23 ATOM 536 CG2 ILE 34 22.943 -19.495 24.956 1.00 32.13 ATOM 537 HG21 ILE 34 23.501 -19.951 25.761 1.00 4.11 ATOM 538 HG22 ILE 34 23.470 -19.645 24.024 1.00 32.24 ATOM 539 HG23 ILE 34 21.966 -19.952 24.892 1.00 44.21 ATOM 540 CD1 ILE 34 20.608 -18.360 26.492 1.00 30.21 ATOM 541 HD11 ILE 34 20.097 -18.120 27.412 1.00 12.23 ATOM 542 HD12 ILE 34 20.682 -19.434 26.393 1.00 0.11 ATOM 543 HD13 ILE 34 20.052 -17.959 25.657 1.00 24.14 ATOM 544 C ILE 34 24.906 -17.515 23.951 1.00 23.25 ATOM 545 O ILE 34 24.416 -17.084 22.907 1.00 55.01 ATOM 546 N SER 35 26.071 -18.159 23.987 1.00 3.44 ATOM 547 HN SER 35 26.424 -18.457 24.850 1.00 36.71 ATOM 548 CA SER 35 26.843 -18.431 22.767 1.00 71.14 ATOM 549 HA SER 35 27.053 -17.483 22.293 1.00 3.54 ATOM 550 CB SER 35 28.169 -19.112 23.121 1.00 44.21 ATOM 551 HB1 SER 35 28.758 -18.450 23.739 1.00 36.71 ATOM 552 HB2 SER 35 28.713 -19.332 22.213 1.00 31.11 ATOM 553 OG SER 35 27.952 -20.325 23.830 1.00 62.23 ATOM 554 HG SER 35 28.422 -21.043 23.383 1.00 11.21 ATOM 555 C SER 35 26.055 -19.311 21.786 1.00 30.22 ATOM 556 O SER 35 26.051 -19.068 20.575 1.00 60.10 ATOM 557 N ASP 36 25.385 -20.333 22.315 1.00 23.11 ATOM 558 HN ASP 36 25.438 -20.485 23.281 1.00 36.71 ATOM 559 CA ASP 36 24.579 -21.242 21.495 1.00 13.35 ATOM 560 HA ASP 36 24.372 -20.746 20.556 1.00 30.05 ATOM 561 CB ASP 36 25.368 -22.524 21.214 1.00 34.31 ATOM 562 HB1 ASP 36 25.452 -23.096 22.127 1.00 36.71 ATOM 563 HB2 ASP 36 26.361 -22.261 20.870 1.00 52.02 ATOM 564 CG ASP 36 24.706 -23.387 20.157 1.00 13.35 ATOM 565 OD1 ASP 36 24.009 -24.356 20.521 1.00 73.24 ATOM 566 OD2 ASP 36 24.879 -23.089 18.956 1.00 71.34 ATOM 567 C ASP 36 23.240 -21.575 22.188 1.00 44.50 ATOM 568 O ASP 36 23.194 -22.394 23.108 1.00 20.41 ATOM 569 N PRO 37 22.132 -20.930 21.761 1.00 1.12 ATOM 570 CA PRO 37 20.806 -21.127 22.386 1.00 10.32 ATOM 571 HA PRO 37 20.832 -20.866 23.435 1.00 51.43 ATOM 572 CB PRO 37 19.904 -20.131 21.637 1.00 21.45 ATOM 573 HB1 PRO 37 19.805 -19.224 22.218 1.00 36.71 ATOM 574 HB2 PRO 37 18.926 -20.567 21.477 1.00 51.51 ATOM 575 CG PRO 37 20.607 -19.874 20.345 1.00 1.54 ATOM 576 HG1 PRO 37 20.355 -18.889 19.978 1.00 36.71 ATOM 577 HG2 PRO 37 20.331 -20.627 19.619 1.00 54.22 ATOM 578 CD PRO 37 22.079 -19.958 20.652 1.00 51.53 ATOM 579 HD1 PRO 37 22.459 -18.995 20.964 1.00 36.71 ATOM 580 HD2 PRO 37 22.626 -20.321 19.794 1.00 64.20 ATOM 581 C PRO 37 20.271 -22.563 22.244 1.00 32.44 ATOM 582 O PRO 37 19.556 -23.053 23.120 1.00 33.45 ATOM 583 N GLU 38 20.622 -23.234 21.145 1.00 4.12 ATOM 584 HN GLU 38 21.197 -22.797 20.483 1.00 36.71 ATOM 585 CA GLU 38 20.181 -24.614 20.905 1.00 73.10 ATOM 586 HA GLU 38 19.099 -24.618 20.925 1.00 24.21 ATOM 587 CB GLU 38 20.649 -25.089 19.520 1.00 21.20 ATOM 588 HB1 GLU 38 20.413 -26.138 19.412 1.00 36.71 ATOM 589 HB2 GLU 38 21.721 -24.961 19.451 1.00 23.04 ATOM 590 CG GLU 38 20.000 -24.330 18.363 1.00 70.34 ATOM 591 HG1 GLU 38 20.231 -23.277 18.469 1.00 36.71 ATOM 592 HG2 GLU 38 18.930 -24.467 18.417 1.00 13.04 ATOM 593 CD GLU 38 20.479 -24.803 16.998 1.00 72.31 ATOM 594 OE1 GLU 38 21.099 -24.000 16.270 1.00 11.42 ATOM 595 OE2 GLU 38 20.254 -25.985 16.655 1.00 63.02 ATOM 596 C GLU 38 20.688 -25.562 22.003 1.00 13.32 ATOM 597 O GLU 38 19.924 -26.360 22.548 1.00 3.23 ATOM 598 N GLY 39 21.974 -25.458 22.333 1.00 42.10 ATOM 599 HN GLY 39 22.552 -24.846 21.825 1.00 36.71 ATOM 600 CA GLY 39 22.538 -26.254 23.421 1.00 53.43 ATOM 601 HA1 GLY 39 23.602 -26.070 23.469 1.00 36.71 ATOM 602 HA2 GLY 39 22.374 -27.300 23.208 1.00 35.24 ATOM 603 C GLY 39 21.921 -25.925 24.782 1.00 10.44 ATOM 604 O GLY 39 21.636 -26.821 25.579 1.00 13.45 ATOM 605 N PHE 40 21.707 -24.633 25.039 1.00 31.43 ATOM 606 HN PHE 40 21.985 -23.968 24.372 1.00 36.71 ATOM 607 CA PHE 40 21.076 -24.173 26.285 1.00 31.21 ATOM 608 HA PHE 40 21.713 -24.467 27.108 1.00 71.32 ATOM 609 CB PHE 40 20.954 -22.641 26.273 1.00 3.41 ATOM 610 HB1 PHE 40 20.334 -22.346 25.437 1.00 36.71 ATOM 611 HB2 PHE 40 21.938 -22.215 26.146 1.00 40.42 ATOM 612 CG PHE 40 20.353 -22.053 27.532 1.00 35.51 ATOM 613 CD1 PHE 40 21.118 -21.915 28.684 1.00 4.40 ATOM 614 HD1 PHE 40 22.150 -22.236 28.677 1.00 71.32 ATOM 615 CD2 PHE 40 19.028 -21.635 27.562 1.00 62.34 ATOM 616 HD2 PHE 40 18.419 -21.735 26.674 1.00 75.05 ATOM 617 CE1 PHE 40 20.574 -21.372 29.836 1.00 32.14 ATOM 618 HE1 PHE 40 21.181 -21.270 30.724 1.00 65.44 ATOM 619 CE2 PHE 40 18.481 -21.093 28.711 1.00 34.25 ATOM 620 HE2 PHE 40 17.449 -20.773 28.720 1.00 12.24 ATOM 621 CZ PHE 40 19.255 -20.962 29.849 1.00 63.12 ATOM 622 HZ PHE 40 18.829 -20.539 30.747 1.00 34.43 ATOM 623 C PHE 40 19.689 -24.813 26.478 1.00 61.35 ATOM 624 O PHE 40 19.349 -25.279 27.570 1.00 4.24 ATOM 625 N LEU 41 18.893 -24.825 25.410 1.00 4.13 ATOM 626 HN LEU 41 19.201 -24.395 24.583 1.00 36.71 ATOM 627 CA LEU 41 17.570 -25.456 25.437 1.00 71.02 ATOM 628 HA LEU 41 17.035 -25.059 26.289 1.00 72.34 ATOM 629 CB LEU 41 16.792 -25.110 24.160 1.00 73.13 ATOM 630 HB1 LEU 41 15.887 -25.701 24.141 1.00 36.71 ATOM 631 HB2 LEU 41 17.401 -25.390 23.310 1.00 63.50 ATOM 632 CG LEU 41 16.404 -23.629 24.010 1.00 5.32 ATOM 633 HG LEU 41 17.299 -23.024 24.060 1.00 1.43 ATOM 634 CD1 LEU 41 15.742 -23.375 22.659 1.00 44.25 ATOM 635 HD11 LEU 41 15.473 -22.331 22.580 1.00 14.12 ATOM 636 HD12 LEU 41 14.852 -23.982 22.570 1.00 4.02 ATOM 637 HD13 LEU 41 16.431 -23.629 21.866 1.00 60.53 ATOM 638 CD2 LEU 41 15.483 -23.198 25.152 1.00 53.11 ATOM 639 HD21 LEU 41 15.991 -23.333 26.096 1.00 61.42 ATOM 640 HD22 LEU 41 14.583 -23.798 25.139 1.00 63.15 ATOM 641 HD23 LEU 41 15.222 -22.156 25.030 1.00 2.10 ATOM 642 C LEU 41 17.678 -26.979 25.593 1.00 23.53 ATOM 643 O LEU 41 17.014 -27.570 26.443 1.00 0.11 ATOM 644 N GLN 42 18.529 -27.604 24.780 1.00 11.04 ATOM 645 HN GLN 42 19.051 -27.071 24.142 1.00 36.71 ATOM 646 CA GLN 42 18.712 -29.062 24.806 1.00 74.12 ATOM 647 HA GLN 42 17.784 -29.513 24.485 1.00 53.35 ATOM 648 CB GLN 42 19.823 -29.459 23.813 1.00 43.01 ATOM 649 HB1 GLN 42 20.760 -29.037 24.156 1.00 36.71 ATOM 650 HB2 GLN 42 19.587 -29.033 22.848 1.00 74.22 ATOM 651 CG GLN 42 20.018 -30.968 23.626 1.00 63.10 ATOM 652 HG1 GLN 42 20.514 -31.136 22.680 1.00 36.71 ATOM 653 HG2 GLN 42 19.046 -31.441 23.603 1.00 2.44 ATOM 654 CD GLN 42 20.844 -31.621 24.726 1.00 54.03 ATOM 655 OE1 GLN 42 21.723 -31.004 25.317 1.00 63.41 ATOM 656 NE2 GLN 42 20.567 -32.877 25.010 1.00 14.32 ATOM 657 HE21 GLN 42 19.851 -33.316 24.511 1.00 71.10 ATOM 658 HE22 GLN 42 21.096 -33.321 25.704 1.00 15.20 ATOM 659 C GLN 42 19.039 -29.562 26.223 1.00 61.44 ATOM 660 O GLN 42 18.408 -30.495 26.722 1.00 44.14 ATOM 661 N ALA 43 20.019 -28.931 26.864 1.00 55.41 ATOM 662 HN ALA 43 20.490 -28.200 26.409 1.00 36.71 ATOM 663 CA ALA 43 20.425 -29.306 28.224 1.00 12.43 ATOM 664 HA ALA 43 20.747 -30.338 28.199 1.00 21.43 ATOM 665 CB ALA 43 21.610 -28.456 28.668 1.00 14.02 ATOM 666 HB1 ALA 43 22.418 -28.565 27.960 1.00 32.44 ATOM 667 HB2 ALA 43 21.942 -28.781 29.645 1.00 21.22 ATOM 668 HB3 ALA 43 21.312 -27.418 28.718 1.00 22.13 ATOM 669 C ALA 43 19.270 -29.172 29.231 1.00 51.12 ATOM 670 O ALA 43 19.022 -30.073 30.034 1.00 45.30 ATOM 671 N SER 44 18.565 -28.043 29.169 1.00 62.51 ATOM 672 HN SER 44 18.786 -27.386 28.474 1.00 36.71 ATOM 673 CA SER 44 17.471 -27.746 30.110 1.00 41.51 ATOM 674 HA SER 44 17.840 -27.928 31.110 1.00 14.14 ATOM 675 CB SER 44 17.064 -26.267 30.000 1.00 11.22 ATOM 676 HB1 SER 44 16.276 -26.057 30.710 1.00 36.71 ATOM 677 HB2 SER 44 16.708 -26.066 29.000 1.00 24.10 ATOM 678 OG SER 44 18.161 -25.404 30.271 1.00 13.40 ATOM 679 HG SER 44 18.597 -25.171 29.441 1.00 71.43 ATOM 680 C SER 44 16.238 -28.636 29.872 1.00 64.41 ATOM 681 O SER 44 15.527 -28.996 30.812 1.00 72.53 ATOM 682 N LEU 45 15.986 -28.981 28.610 1.00 33.10 ATOM 683 HN LEU 45 16.594 -28.674 27.905 1.00 36.71 ATOM 684 CA LEU 45 14.821 -29.801 28.240 1.00 73.11 ATOM 685 HA LEU 45 14.034 -29.605 28.957 1.00 22.12 ATOM 686 CB LEU 45 14.325 -29.407 26.841 1.00 23.35 ATOM 687 HB1 LEU 45 13.467 -30.019 26.601 1.00 36.71 ATOM 688 HB2 LEU 45 15.111 -29.627 26.130 1.00 21.55 ATOM 689 CG LEU 45 13.925 -27.931 26.674 1.00 13.34 ATOM 690 HG LEU 45 14.770 -27.308 26.931 1.00 4.41 ATOM 691 CD1 LEU 45 13.553 -27.633 25.225 1.00 40.41 ATOM 692 HD11 LEU 45 12.674 -28.199 24.951 1.00 4.41 ATOM 693 HD12 LEU 45 14.373 -27.911 24.578 1.00 0.11 ATOM 694 HD13 LEU 45 13.351 -26.577 25.114 1.00 33.15 ATOM 695 CD2 LEU 45 12.774 -27.572 27.611 1.00 13.35 ATOM 696 HD21 LEU 45 13.075 -27.742 28.635 1.00 72.51 ATOM 697 HD22 LEU 45 11.915 -28.186 27.383 1.00 14.21 ATOM 698 HD23 LEU 45 12.516 -26.531 27.482 1.00 63.10 ATOM 699 C LEU 45 15.147 -31.304 28.269 1.00 0.24 ATOM 700 O LEU 45 14.244 -32.139 28.231 1.00 5.34 ATOM 701 N LYS 46 16.438 -31.627 28.346 1.00 11.20 ATOM 702 HN LYS 46 17.095 -30.902 28.401 1.00 36.71 ATOM 703 CA LYS 46 16.927 -33.016 28.332 1.00 30.40 ATOM 704 HA LYS 46 16.827 -33.395 27.326 1.00 40.43 ATOM 705 CB LYS 46 18.412 -33.032 28.722 1.00 4.33 ATOM 706 HB1 LYS 46 18.504 -32.686 29.744 1.00 36.71 ATOM 707 HB2 LYS 46 18.949 -32.354 28.075 1.00 61.44 ATOM 708 CG LYS 46 19.067 -34.405 28.624 1.00 54.34 ATOM 709 HG1 LYS 46 19.074 -34.711 27.587 1.00 36.71 ATOM 710 HG2 LYS 46 18.486 -35.111 29.200 1.00 52.23 ATOM 711 CD LYS 46 20.506 -34.407 29.149 1.00 22.30 ATOM 712 HD1 LYS 46 21.033 -33.564 28.720 1.00 36.71 ATOM 713 HD2 LYS 46 20.989 -35.323 28.838 1.00 2.42 ATOM 714 CE LYS 46 20.581 -34.310 30.676 1.00 42.13 ATOM 715 HE1 LYS 46 21.603 -34.487 30.983 1.00 36.71 ATOM 716 HE2 LYS 46 19.947 -35.075 31.103 1.00 34.41 ATOM 717 NZ LYS 46 20.146 -32.984 31.201 1.00 3.15 ATOM 718 HZ1 LYS 46 20.611 -32.217 30.677 1.00 12.51 ATOM 719 HZ2 LYS 46 20.403 -32.900 32.205 1.00 0.12 ATOM 720 HZ3 LYS 46 19.115 -32.880 31.115 1.00 60.03 ATOM 721 C LYS 46 16.146 -33.934 29.291 1.00 22.54 ATOM 722 O LYS 46 15.787 -35.059 28.941 1.00 12.14 ATOM 723 N ASP 47 15.902 -33.446 30.504 1.00 61.53 ATOM 724 HN ASP 47 16.180 -32.530 30.710 1.00 36.71 ATOM 725 CA ASP 47 15.254 -34.245 31.550 1.00 55.41 ATOM 726 HA ASP 47 15.600 -35.263 31.447 1.00 10.13 ATOM 727 CB ASP 47 15.687 -33.722 32.920 1.00 51.15 ATOM 728 HB1 ASP 47 15.276 -34.361 33.688 1.00 36.71 ATOM 729 HB2 ASP 47 15.314 -32.716 33.054 1.00 63.34 ATOM 730 CG ASP 47 17.199 -33.704 33.062 1.00 45.31 ATOM 731 OD1 ASP 47 17.753 -34.605 33.726 1.00 15.25 ATOM 732 OD2 ASP 47 17.842 -32.794 32.490 1.00 24.44 ATOM 733 C ASP 47 13.717 -34.241 31.435 1.00 64.44 ATOM 734 O ASP 47 13.027 -34.870 32.236 1.00 10.32 ATOM 735 N GLY 48 13.186 -33.515 30.454 1.00 15.40 ATOM 736 HN GLY 48 13.784 -33.015 29.859 1.00 36.71 ATOM 737 CA GLY 48 11.741 -33.477 30.226 1.00 71.33 ATOM 738 HA1 GLY 48 11.366 -34.492 30.221 1.00 36.71 ATOM 739 HA2 GLY 48 11.564 -33.045 29.252 1.00 44.11 ATOM 740 C GLY 48 10.951 -32.670 31.264 1.00 40.24 ATOM 741 O GLY 48 9.798 -32.307 31.022 1.00 24.33 ATOM 742 N VAL 49 11.567 -32.379 32.414 1.00 44.01 ATOM 743 HN VAL 49 12.495 -32.665 32.539 1.00 36.71 ATOM 744 CA VAL 49 10.891 -31.658 33.505 1.00 12.13 ATOM 745 HA VAL 49 10.088 -32.289 33.865 1.00 54.41 ATOM 746 CB VAL 49 11.857 -31.388 34.689 1.00 52.03 ATOM 747 HB VAL 49 12.624 -30.704 34.348 1.00 41.22 ATOM 748 CG1 VAL 49 11.120 -30.732 35.858 1.00 52.32 ATOM 749 HG11 VAL 49 10.330 -31.386 36.202 1.00 25.14 ATOM 750 HG12 VAL 49 10.694 -29.792 35.538 1.00 61.44 ATOM 751 HG13 VAL 49 11.814 -30.554 36.667 1.00 5.32 ATOM 752 CG2 VAL 49 12.538 -32.681 35.136 1.00 42.11 ATOM 753 HG21 VAL 49 11.793 -33.387 35.476 1.00 22.24 ATOM 754 HG22 VAL 49 13.224 -32.469 35.943 1.00 44.52 ATOM 755 HG23 VAL 49 13.084 -33.108 34.306 1.00 41.14 ATOM 756 C VAL 49 10.292 -30.322 33.026 1.00 33.12 ATOM 757 O VAL 49 9.117 -30.037 33.265 1.00 22.03 ATOM 758 N VAL 50 11.102 -29.510 32.345 1.00 74.34 ATOM 759 HN VAL 50 12.035 -29.777 32.200 1.00 36.71 ATOM 760 CA VAL 50 10.632 -28.223 31.814 1.00 13.43 ATOM 761 HA VAL 50 10.244 -27.648 32.646 1.00 10.43 ATOM 762 CB VAL 50 11.789 -27.417 31.165 1.00 64.14 ATOM 763 HB VAL 50 12.171 -27.990 30.330 1.00 54.23 ATOM 764 CG1 VAL 50 11.295 -26.071 30.628 1.00 22.00 ATOM 765 HG11 VAL 50 10.857 -25.497 31.433 1.00 21.04 ATOM 766 HG12 VAL 50 10.553 -26.238 29.861 1.00 51.15 ATOM 767 HG13 VAL 50 12.127 -25.523 30.208 1.00 13.51 ATOM 768 CG2 VAL 50 12.932 -27.213 32.160 1.00 2.05 ATOM 769 HG21 VAL 50 12.574 -26.653 33.013 1.00 42.00 ATOM 770 HG22 VAL 50 13.734 -26.665 31.684 1.00 20.40 ATOM 771 HG23 VAL 50 13.300 -28.174 32.490 1.00 54.35 ATOM 772 C VAL 50 9.501 -28.421 30.786 1.00 11.20 ATOM 773 O VAL 50 8.572 -27.617 30.710 1.00 3.21 ATOM 774 N LEU 51 9.579 -29.509 30.014 1.00 63.23 ATOM 775 HN LEU 51 10.345 -30.108 30.119 1.00 36.71 ATOM 776 CA LEU 51 8.547 -29.837 29.018 1.00 52.22 ATOM 777 HA LEU 51 8.451 -28.993 28.350 1.00 33.43 ATOM 778 CB LEU 51 8.963 -31.071 28.201 1.00 10.40 ATOM 779 HB1 LEU 51 8.140 -31.344 27.554 1.00 36.71 ATOM 780 HB2 LEU 51 9.137 -31.887 28.889 1.00 24.41 ATOM 781 CG LEU 51 10.218 -30.900 27.331 1.00 44.43 ATOM 782 HG LEU 51 11.054 -30.643 27.967 1.00 54.11 ATOM 783 CD1 LEU 51 10.560 -32.208 26.619 1.00 33.34 ATOM 784 HD11 LEU 51 11.446 -32.071 26.017 1.00 44.51 ATOM 785 HD12 LEU 51 9.737 -32.503 25.984 1.00 15.41 ATOM 786 HD13 LEU 51 10.742 -32.981 27.351 1.00 71.55 ATOM 787 CD2 LEU 51 10.027 -29.770 26.318 1.00 53.15 ATOM 788 HD21 LEU 51 10.922 -29.667 25.721 1.00 3.21 ATOM 789 HD22 LEU 51 9.838 -28.844 26.841 1.00 52.12 ATOM 790 HD23 LEU 51 9.190 -29.997 25.672 1.00 44.21 ATOM 791 C LEU 51 7.187 -30.096 29.684 1.00 54.42 ATOM 792 O LEU 51 6.163 -29.554 29.266 1.00 51.44 ATOM 793 N CYS 52 7.186 -30.926 30.726 1.00 2.41 ATOM 794 HN CYS 52 8.032 -31.335 31.010 1.00 36.71 ATOM 795 CA CYS 52 5.954 -31.246 31.457 1.00 41.33 ATOM 796 HA CYS 52 5.257 -31.671 30.748 1.00 11.12 ATOM 797 CB CYS 52 6.234 -32.283 32.549 1.00 54.04 ATOM 798 HB1 CYS 52 5.322 -32.475 33.095 1.00 36.71 ATOM 799 HB2 CYS 52 6.978 -31.893 33.227 1.00 62.13 ATOM 800 SG CYS 52 6.841 -33.869 31.923 1.00 54.22 ATOM 801 HG CYS 52 7.423 -33.661 30.749 1.00 74.10 ATOM 802 C CYS 52 5.321 -29.988 32.068 1.00 13.31 ATOM 803 O CYS 52 4.112 -29.779 31.964 1.00 51.31 ATOM 804 N ARG 53 6.143 -29.146 32.698 1.00 2.33 ATOM 805 HN ARG 53 7.087 -29.389 32.800 1.00 36.71 ATOM 806 CA ARG 53 5.668 -27.866 33.241 1.00 2.25 ATOM 807 HA ARG 53 4.852 -28.080 33.918 1.00 55.22 ATOM 808 CB ARG 53 6.790 -27.163 34.019 1.00 13.35 ATOM 809 HB1 ARG 53 6.449 -26.180 34.314 1.00 36.71 ATOM 810 HB2 ARG 53 7.648 -27.054 33.369 1.00 30.21 ATOM 811 CG ARG 53 7.236 -27.912 35.276 1.00 64.55 ATOM 812 HG1 ARG 53 7.595 -28.891 34.991 1.00 36.71 ATOM 813 HG2 ARG 53 6.390 -28.018 35.940 1.00 32.51 ATOM 814 CD ARG 53 8.350 -27.170 36.013 1.00 21.00 ATOM 815 HD1 ARG 53 8.002 -26.176 36.257 1.00 36.71 ATOM 816 HD2 ARG 53 9.210 -27.098 35.362 1.00 23.42 ATOM 817 NE ARG 53 8.748 -27.849 37.247 1.00 52.52 ATOM 818 HE ARG 53 8.201 -28.603 37.546 1.00 33.33 ATOM 819 CZ ARG 53 9.778 -27.502 37.977 1.00 30.11 ATOM 820 NH1 ARG 53 10.534 -26.508 37.631 1.00 31.13 ATOM 821 HH11 ARG 53 10.335 -25.992 36.800 1.00 51.13 ATOM 822 HH12 ARG 53 11.311 -26.255 38.205 1.00 21.53 ATOM 823 NH2 ARG 53 10.051 -28.151 39.061 1.00 24.13 ATOM 824 HH21 ARG 53 9.475 -28.912 39.349 1.00 33.32 ATOM 825 HH22 ARG 53 10.841 -27.885 39.612 1.00 43.52 ATOM 826 C ARG 53 5.149 -26.951 32.119 1.00 0.14 ATOM 827 O ARG 53 4.137 -26.268 32.274 1.00 50.14 ATOM 828 N LEU 54 5.854 -26.952 30.987 1.00 72.41 ATOM 829 HN LEU 54 6.680 -27.479 30.948 1.00 36.71 ATOM 830 CA LEU 54 5.449 -26.187 29.802 1.00 52.44 ATOM 831 HA LEU 54 5.493 -25.138 30.054 1.00 60.44 ATOM 832 CB LEU 54 6.430 -26.466 28.653 1.00 61.31 ATOM 833 HB1 LEU 54 6.452 -27.533 28.483 1.00 36.71 ATOM 834 HB2 LEU 54 7.417 -26.155 28.971 1.00 72.31 ATOM 835 CG LEU 54 6.118 -25.776 27.315 1.00 3.11 ATOM 836 HG LEU 54 5.137 -26.083 26.981 1.00 33.42 ATOM 837 CD1 LEU 54 6.100 -24.261 27.476 1.00 22.22 ATOM 838 HD11 LEU 54 7.060 -23.924 27.839 1.00 70.13 ATOM 839 HD12 LEU 54 5.331 -23.983 28.182 1.00 3.44 ATOM 840 HD13 LEU 54 5.894 -23.799 26.522 1.00 53.33 ATOM 841 CD2 LEU 54 7.128 -26.195 26.247 1.00 42.34 ATOM 842 HD21 LEU 54 7.098 -27.268 26.123 1.00 15.12 ATOM 843 HD22 LEU 54 8.121 -25.895 26.549 1.00 14.45 ATOM 844 HD23 LEU 54 6.878 -25.719 25.309 1.00 21.34 ATOM 845 C LEU 54 4.015 -26.535 29.374 1.00 12.02 ATOM 846 O LEU 54 3.174 -25.650 29.184 1.00 24.32 ATOM 847 N LEU 55 3.740 -27.829 29.244 1.00 71.02 ATOM 848 HN LEU 55 4.447 -28.488 29.421 1.00 36.71 ATOM 849 CA LEU 55 2.415 -28.297 28.838 1.00 1.53 ATOM 850 HA LEU 55 2.150 -27.773 27.930 1.00 4.34 ATOM 851 CB LEU 55 2.446 -29.804 28.542 1.00 52.44 ATOM 852 HB1 LEU 55 2.687 -30.325 29.459 1.00 36.71 ATOM 853 HB2 LEU 55 3.236 -29.992 27.826 1.00 1.11 ATOM 854 CG LEU 55 1.137 -30.393 27.985 1.00 41.44 ATOM 855 HG LEU 55 0.352 -30.258 28.716 1.00 40.23 ATOM 856 CD1 LEU 55 0.712 -29.668 26.708 1.00 15.55 ATOM 857 HD11 LEU 55 0.558 -28.620 26.922 1.00 32.13 ATOM 858 HD12 LEU 55 -0.209 -30.096 26.339 1.00 12.25 ATOM 859 HD13 LEU 55 1.483 -29.773 25.956 1.00 41.43 ATOM 860 CD2 LEU 55 1.288 -31.888 27.725 1.00 51.30 ATOM 861 HD21 LEU 55 1.518 -32.394 28.651 1.00 70.33 ATOM 862 HD22 LEU 55 2.086 -32.055 27.016 1.00 21.31 ATOM 863 HD23 LEU 55 0.364 -32.279 27.324 1.00 34.31 ATOM 864 C LEU 55 1.353 -27.982 29.905 1.00 63.15 ATOM 865 O LEU 55 0.208 -27.696 29.577 1.00 12.23 ATOM 866 N GLU 56 1.740 -28.017 31.180 1.00 54.51 ATOM 867 HN GLU 56 2.665 -28.266 31.390 1.00 36.71 ATOM 868 CA GLU 56 0.809 -27.707 32.278 1.00 51.50 ATOM 869 HA GLU 56 -0.108 -28.247 32.083 1.00 74.31 ATOM 870 CB GLU 56 1.380 -28.188 33.620 1.00 22.23 ATOM 871 HB1 GLU 56 0.776 -27.786 34.422 1.00 36.71 ATOM 872 HB2 GLU 56 2.390 -27.816 33.723 1.00 63.32 ATOM 873 CG GLU 56 1.416 -29.704 33.764 1.00 21.11 ATOM 874 HG1 GLU 56 1.837 -29.951 34.730 1.00 36.71 ATOM 875 HG2 GLU 56 2.046 -30.113 32.987 1.00 53.53 ATOM 876 CD GLU 56 0.033 -30.330 33.660 1.00 11.33 ATOM 877 OE1 GLU 56 -0.335 -30.805 32.570 1.00 22.25 ATOM 878 OE2 GLU 56 -0.698 -30.338 34.673 1.00 2.10 ATOM 879 C GLU 56 0.474 -26.206 32.352 1.00 51.33 ATOM 880 O GLU 56 -0.548 -25.817 32.926 1.00 13.42 ATOM 881 N ARG 57 1.342 -25.364 31.792 1.00 71.34 ATOM 882 HN ARG 57 2.186 -25.717 31.434 1.00 36.71 ATOM 883 CA ARG 57 1.074 -23.922 31.719 1.00 21.23 ATOM 884 HA ARG 57 0.637 -23.622 32.661 1.00 3.12 ATOM 885 CB ARG 57 2.378 -23.139 31.507 1.00 14.03 ATOM 886 HB1 ARG 57 2.136 -22.101 31.323 1.00 36.71 ATOM 887 HB2 ARG 57 2.885 -23.537 30.639 1.00 61.02 ATOM 888 CG ARG 57 3.341 -23.199 32.691 1.00 43.02 ATOM 889 HG1 ARG 57 4.233 -22.640 32.444 1.00 36.71 ATOM 890 HG2 ARG 57 3.606 -24.231 32.877 1.00 23.25 ATOM 891 CD ARG 57 2.726 -22.613 33.961 1.00 3.33 ATOM 892 HD1 ARG 57 3.474 -22.612 34.742 1.00 36.71 ATOM 893 HD2 ARG 57 1.895 -23.235 34.263 1.00 11.04 ATOM 894 NE ARG 57 2.243 -21.247 33.755 1.00 34.12 ATOM 895 HE ARG 57 1.509 -21.120 33.121 1.00 32.30 ATOM 896 CZ ARG 57 2.717 -20.191 34.363 1.00 44.24 ATOM 897 NH1 ARG 57 3.681 -20.293 35.223 1.00 31.54 ATOM 898 HH11 ARG 57 4.071 -21.188 35.436 1.00 14.40 ATOM 899 HH12 ARG 57 4.035 -19.474 35.670 1.00 72.52 ATOM 900 NH2 ARG 57 2.219 -19.029 34.103 1.00 4.53 ATOM 901 HH21 ARG 57 1.473 -18.944 33.444 1.00 71.13 ATOM 902 HH22 ARG 57 2.579 -18.220 34.558 1.00 3.20 ATOM 903 C ARG 57 0.079 -23.595 30.594 1.00 40.51 ATOM 904 O ARG 57 -0.755 -22.699 30.730 1.00 72.31 ATOM 905 N LEU 58 0.179 -24.323 29.486 1.00 44.23 ATOM 906 HN LEU 58 0.874 -25.013 29.435 1.00 36.71 ATOM 907 CA LEU 58 -0.717 -24.125 28.339 1.00 73.21 ATOM 908 HA LEU 58 -0.969 -23.074 28.291 1.00 33.44 ATOM 909 CB LEU 58 0.010 -24.521 27.045 1.00 70.13 ATOM 910 HB1 LEU 58 -0.661 -24.360 26.213 1.00 36.71 ATOM 911 HB2 LEU 58 0.244 -25.576 27.098 1.00 54.33 ATOM 912 CG LEU 58 1.314 -23.746 26.771 1.00 31.11 ATOM 913 HG LEU 58 1.980 -23.871 27.614 1.00 70.00 ATOM 914 CD1 LEU 58 2.025 -24.288 25.535 1.00 23.43 ATOM 915 HD11 LEU 58 2.926 -23.718 25.359 1.00 21.33 ATOM 916 HD12 LEU 58 1.375 -24.205 24.676 1.00 74.33 ATOM 917 HD13 LEU 58 2.283 -25.326 25.692 1.00 65.21 ATOM 918 CD2 LEU 58 1.032 -22.251 26.616 1.00 3.24 ATOM 919 HD21 LEU 58 1.964 -21.721 26.485 1.00 74.32 ATOM 920 HD22 LEU 58 0.531 -21.883 27.500 1.00 54.42 ATOM 921 HD23 LEU 58 0.402 -22.090 25.752 1.00 1.25 ATOM 922 C LEU 58 -2.015 -24.937 28.501 1.00 52.24 ATOM 923 O LEU 58 -3.119 -24.401 28.390 1.00 50.54 ATOM 924 N LEU 59 -1.862 -26.233 28.758 1.00 72.11 ATOM 925 HN LEU 59 -0.958 -26.599 28.783 1.00 36.71 ATOM 926 CA LEU 59 -2.992 -27.139 29.002 1.00 2.54 ATOM 927 HA LEU 59 -3.906 -26.566 28.936 1.00 35.33 ATOM 928 CB LEU 59 -3.018 -28.247 27.936 1.00 34.45 ATOM 929 HB1 LEU 59 -3.829 -28.922 28.170 1.00 36.71 ATOM 930 HB2 LEU 59 -2.088 -28.797 28.002 1.00 32.13 ATOM 931 CG LEU 59 -3.195 -27.769 26.482 1.00 1.23 ATOM 932 HG LEU 59 -2.411 -27.062 26.247 1.00 72.33 ATOM 933 CD1 LEU 59 -3.072 -28.940 25.507 1.00 54.35 ATOM 934 HD11 LEU 59 -2.099 -29.397 25.612 1.00 22.14 ATOM 935 HD12 LEU 59 -3.192 -28.580 24.495 1.00 65.43 ATOM 936 HD13 LEU 59 -3.838 -29.672 25.720 1.00 51.21 ATOM 937 CD2 LEU 59 -4.538 -27.061 26.305 1.00 2.44 ATOM 938 HD21 LEU 59 -4.628 -26.709 25.287 1.00 23.33 ATOM 939 HD22 LEU 59 -4.597 -26.220 26.981 1.00 53.31 ATOM 940 HD23 LEU 59 -5.344 -27.751 26.519 1.00 32.25 ATOM 941 C LEU 59 -2.896 -27.767 30.407 1.00 2.42 ATOM 942 O LEU 59 -2.315 -28.839 30.578 1.00 74.51 ATOM 943 N PRO 60 -3.461 -27.105 31.436 1.00 14.10 ATOM 944 CA PRO 60 -3.351 -27.568 32.834 1.00 11.42 ATOM 945 HA PRO 60 -2.316 -27.707 33.115 1.00 42.24 ATOM 946 CB PRO 60 -3.942 -26.398 33.636 1.00 62.52 ATOM 947 HB1 PRO 60 -3.147 -25.731 33.942 1.00 36.71 ATOM 948 HB2 PRO 60 -4.458 -26.771 34.509 1.00 52.33 ATOM 949 CG PRO 60 -4.878 -25.725 32.688 1.00 32.42 ATOM 950 HG1 PRO 60 -4.985 -24.681 32.952 1.00 36.71 ATOM 951 HG2 PRO 60 -5.840 -26.217 32.711 1.00 24.34 ATOM 952 CD PRO 60 -4.250 -25.860 31.325 1.00 53.11 ATOM 953 HD1 PRO 60 -3.607 -25.016 31.118 1.00 36.71 ATOM 954 HD2 PRO 60 -5.012 -25.951 30.564 1.00 22.23 ATOM 955 C PRO 60 -4.126 -28.871 33.111 1.00 51.54 ATOM 956 O PRO 60 -5.292 -29.013 32.730 1.00 72.52 ATOM 957 N GLY 61 -3.469 -29.821 33.780 1.00 31.12 ATOM 958 HN GLY 61 -2.536 -29.663 34.046 1.00 36.71 ATOM 959 CA GLY 61 -4.111 -31.089 34.114 1.00 61.40 ATOM 960 HA1 GLY 61 -5.154 -30.908 34.335 1.00 36.71 ATOM 961 HA2 GLY 61 -3.635 -31.494 34.996 1.00 2.22 ATOM 962 C GLY 61 -4.016 -32.117 32.992 1.00 61.45 ATOM 963 O GLY 61 -4.961 -32.872 32.742 1.00 53.13 ATOM 964 N THR 62 -2.874 -32.146 32.313 1.00 4.21 ATOM 965 HN THR 62 -2.164 -31.512 32.556 1.00 36.71 ATOM 966 CA THR 62 -2.643 -33.091 31.211 1.00 14.10 ATOM 967 HA THR 62 -3.567 -33.624 31.031 1.00 2.03 ATOM 968 CB THR 62 -2.251 -32.351 29.907 1.00 11.23 ATOM 969 HB THR 62 -1.301 -31.856 30.062 1.00 44.22 ATOM 970 OG1 THR 62 -3.245 -31.362 29.589 1.00 63.24 ATOM 971 HG1 THR 62 -2.932 -30.497 29.893 1.00 10.03 ATOM 972 CG2 THR 62 -2.113 -33.320 28.735 1.00 44.31 ATOM 973 HG21 THR 62 -1.846 -32.771 27.843 1.00 72.01 ATOM 974 HG22 THR 62 -3.053 -33.830 28.575 1.00 63.12 ATOM 975 HG23 THR 62 -1.342 -34.046 28.952 1.00 54.35 ATOM 976 C THR 62 -1.554 -34.112 31.570 1.00 14.32 ATOM 977 O THR 62 -1.729 -35.315 31.376 1.00 24.30 ATOM 978 N ILE 63 -0.434 -33.625 32.099 1.00 24.13 ATOM 979 HN ILE 63 -0.337 -32.654 32.193 1.00 36.71 ATOM 980 CA ILE 63 0.664 -34.493 32.541 1.00 55.34 ATOM 981 HA ILE 63 0.875 -35.194 31.743 1.00 14.22 ATOM 982 CB ILE 63 1.950 -33.671 32.819 1.00 53.42 ATOM 983 HB ILE 63 1.718 -32.934 33.575 1.00 30.25 ATOM 984 CG1 ILE 63 2.406 -32.944 31.542 1.00 42.21 ATOM 985 HG11 ILE 63 3.274 -32.341 31.766 1.00 36.71 ATOM 986 HG12 ILE 63 1.609 -32.300 31.198 1.00 21.31 ATOM 987 CG2 ILE 63 3.068 -34.566 33.363 1.00 22.43 ATOM 988 HG21 ILE 63 2.742 -35.033 34.282 1.00 63.10 ATOM 989 HG22 ILE 63 3.947 -33.968 33.559 1.00 62.01 ATOM 990 HG23 ILE 63 3.309 -35.330 32.637 1.00 45.13 ATOM 991 CD1 ILE 63 2.768 -33.877 30.401 1.00 13.03 ATOM 992 HD11 ILE 63 1.911 -34.480 30.141 1.00 44.30 ATOM 993 HD12 ILE 63 3.582 -34.520 30.703 1.00 33.24 ATOM 994 HD13 ILE 63 3.071 -33.295 29.542 1.00 21.44 ATOM 995 C ILE 63 0.280 -35.280 33.807 1.00 34.52 ATOM 996 O ILE 63 0.133 -34.709 34.891 1.00 15.14 ATOM 997 N GLU 64 0.123 -36.592 33.659 1.00 54.42 ATOM 998 HN GLU 64 0.261 -36.987 32.770 1.00 36.71 ATOM 999 CA GLU 64 -0.271 -37.464 34.774 1.00 25.44 ATOM 1000 HA GLU 64 -1.094 -36.991 35.291 1.00 53.10 ATOM 1001 CB GLU 64 -0.739 -38.823 34.233 1.00 23.33 ATOM 1002 HB1 GLU 64 0.093 -39.303 33.739 1.00 36.71 ATOM 1003 HB2 GLU 64 -1.526 -38.656 33.510 1.00 74.45 ATOM 1004 CG GLU 64 -1.271 -39.769 35.308 1.00 31.44 ATOM 1005 HG1 GLU 64 -2.210 -39.383 35.679 1.00 36.71 ATOM 1006 HG2 GLU 64 -0.557 -39.806 36.119 1.00 20.34 ATOM 1007 CD GLU 64 -1.498 -41.183 34.792 1.00 70.33 ATOM 1008 OE1 GLU 64 -0.838 -42.120 35.292 1.00 55.34 ATOM 1009 OE2 GLU 64 -2.327 -41.364 33.872 1.00 33.13 ATOM 1010 C GLU 64 0.883 -37.686 35.768 1.00 23.31 ATOM 1011 O GLU 64 0.711 -37.542 36.980 1.00 23.24 ATOM 1012 N LYS 65 2.057 -38.038 35.244 1.00 2.44 ATOM 1013 HN LYS 65 2.165 -38.031 34.269 1.00 36.71 ATOM 1014 CA LYS 65 3.196 -38.428 36.085 1.00 20.24 ATOM 1015 HA LYS 65 3.048 -38.001 37.069 1.00 30.42 ATOM 1016 CB LYS 65 3.216 -39.970 36.210 1.00 55.43 ATOM 1017 HB1 LYS 65 3.330 -40.392 35.222 1.00 36.71 ATOM 1018 HB2 LYS 65 2.263 -40.289 36.607 1.00 41.25 ATOM 1019 CG LYS 65 4.314 -40.556 37.110 1.00 24.50 ATOM 1020 HG1 LYS 65 4.016 -41.552 37.411 1.00 36.71 ATOM 1021 HG2 LYS 65 4.406 -39.937 37.989 1.00 1.12 ATOM 1022 CD LYS 65 5.692 -40.640 36.433 1.00 4.51 ATOM 1023 HD1 LYS 65 6.411 -40.997 37.160 1.00 36.71 ATOM 1024 HD2 LYS 65 5.982 -39.652 36.108 1.00 3.53 ATOM 1025 CE LYS 65 5.714 -41.580 35.221 1.00 74.25 ATOM 1026 HE1 LYS 65 5.288 -42.529 35.514 1.00 36.71 ATOM 1027 HE2 LYS 65 6.739 -41.730 34.921 1.00 32.42 ATOM 1028 NZ LYS 65 4.948 -41.048 34.055 1.00 53.23 ATOM 1029 HZ1 LYS 65 3.926 -41.095 34.241 1.00 13.32 ATOM 1030 HZ2 LYS 65 5.156 -41.605 33.203 1.00 32.55 ATOM 1031 HZ3 LYS 65 5.209 -40.055 33.873 1.00 63.53 ATOM 1032 C LYS 65 4.526 -37.905 35.514 1.00 22.45 ATOM 1033 O LYS 65 4.940 -38.304 34.424 1.00 55.33 ATOM 1034 N VAL 66 5.194 -37.032 36.267 1.00 55.40 ATOM 1035 HN VAL 66 4.788 -36.720 37.102 1.00 36.71 ATOM 1036 CA VAL 66 6.517 -36.513 35.886 1.00 15.12 ATOM 1037 HA VAL 66 6.870 -37.082 35.037 1.00 12.52 ATOM 1038 CB VAL 66 6.443 -35.016 35.476 1.00 21.33 ATOM 1039 HB VAL 66 5.692 -34.917 34.702 1.00 62.13 ATOM 1040 CG1 VAL 66 6.014 -34.151 36.659 1.00 3.01 ATOM 1041 HG11 VAL 66 6.733 -34.253 37.462 1.00 43.52 ATOM 1042 HG12 VAL 66 5.042 -34.470 37.007 1.00 62.21 ATOM 1043 HG13 VAL 66 5.963 -33.116 36.351 1.00 12.34 ATOM 1044 CG2 VAL 66 7.777 -34.531 34.908 1.00 60.13 ATOM 1045 HG21 VAL 66 8.038 -35.122 34.042 1.00 1.41 ATOM 1046 HG22 VAL 66 8.548 -34.634 35.659 1.00 73.32 ATOM 1047 HG23 VAL 66 7.692 -33.492 34.622 1.00 42.43 ATOM 1048 C VAL 66 7.522 -36.666 37.042 1.00 24.44 ATOM 1049 O VAL 66 7.141 -36.666 38.216 1.00 12.31 ATOM 1050 N TYR 67 8.800 -36.807 36.706 1.00 64.11 ATOM 1051 HN TYR 67 9.035 -36.863 35.759 1.00 36.71 ATOM 1052 CA TYR 67 9.868 -36.883 37.707 1.00 75.30 ATOM 1053 HA TYR 67 9.422 -37.136 38.659 1.00 23.25 ATOM 1054 CB TYR 67 10.883 -37.969 37.330 1.00 64.30 ATOM 1055 HB1 TYR 67 11.638 -38.029 38.103 1.00 36.71 ATOM 1056 HB2 TYR 67 11.359 -37.699 36.397 1.00 13.32 ATOM 1057 CG TYR 67 10.279 -39.350 37.159 1.00 42.30 ATOM 1058 CD1 TYR 67 9.871 -39.803 35.909 1.00 75.41 ATOM 1059 HD1 TYR 67 9.982 -39.154 35.054 1.00 20.01 ATOM 1060 CD2 TYR 67 10.123 -40.202 38.246 1.00 42.23 ATOM 1061 HD2 TYR 67 10.430 -39.864 39.225 1.00 51.31 ATOM 1062 CE1 TYR 67 9.338 -41.064 35.747 1.00 52.41 ATOM 1063 HE1 TYR 67 9.027 -41.397 34.767 1.00 1.40 ATOM 1064 CE2 TYR 67 9.586 -41.466 38.091 1.00 3.42 ATOM 1065 HE2 TYR 67 9.475 -42.114 38.948 1.00 31.42 ATOM 1066 CZ TYR 67 9.194 -41.890 36.839 1.00 73.54 ATOM 1067 OH TYR 67 8.666 -43.150 36.672 1.00 22.24 ATOM 1068 HH TYR 67 9.099 -43.577 35.921 1.00 64.24 ATOM 1069 C TYR 67 10.590 -35.533 37.834 1.00 2.23 ATOM 1070 O TYR 67 11.384 -35.166 36.966 1.00 62.00 ATOM 1071 N PRO 68 10.331 -34.775 38.920 1.00 23.12 ATOM 1072 CA PRO 68 10.975 -33.468 39.139 1.00 33.30 ATOM 1073 HA PRO 68 10.827 -32.814 38.290 1.00 42.53 ATOM 1074 CB PRO 68 10.231 -32.902 40.359 1.00 63.22 ATOM 1075 HB1 PRO 68 9.437 -32.248 40.025 1.00 36.71 ATOM 1076 HB2 PRO 68 10.918 -32.347 40.984 1.00 30.32 ATOM 1077 CG PRO 68 9.685 -34.098 41.071 1.00 11.21 ATOM 1078 HG1 PRO 68 8.773 -33.832 41.588 1.00 36.71 ATOM 1079 HG2 PRO 68 10.416 -34.475 41.773 1.00 13.50 ATOM 1080 CD PRO 68 9.399 -35.127 40.010 1.00 23.43 ATOM 1081 HD1 PRO 68 8.373 -35.052 39.677 1.00 36.71 ATOM 1082 HD2 PRO 68 9.601 -36.122 40.384 1.00 20.24 ATOM 1083 C PRO 68 12.484 -33.597 39.415 1.00 41.14 ATOM 1084 O PRO 68 13.222 -32.609 39.391 1.00 44.24 ATOM 1085 N GLU 69 12.926 -34.829 39.679 1.00 3.20 ATOM 1086 HN GLU 69 12.278 -35.557 39.713 1.00 36.71 ATOM 1087 CA GLU 69 14.342 -35.141 39.901 1.00 32.32 ATOM 1088 HA GLU 69 14.939 -34.391 39.399 1.00 1.02 ATOM 1089 CB GLU 69 14.684 -35.137 41.402 1.00 24.32 ATOM 1090 HB1 GLU 69 15.748 -35.307 41.512 1.00 36.71 ATOM 1091 HB2 GLU 69 14.155 -35.949 41.877 1.00 32.55 ATOM 1092 CG GLU 69 14.331 -33.853 42.144 1.00 32.50 ATOM 1093 HG1 GLU 69 13.269 -33.673 42.048 1.00 36.71 ATOM 1094 HG2 GLU 69 14.875 -33.031 41.699 1.00 71.14 ATOM 1095 CD GLU 69 14.681 -33.933 43.620 1.00 61.35 ATOM 1096 OE1 GLU 69 15.662 -33.284 44.043 1.00 23.14 ATOM 1097 OE2 GLU 69 13.987 -34.662 44.364 1.00 42.12 ATOM 1098 C GLU 69 14.681 -36.526 39.314 1.00 21.02 ATOM 1099 O GLU 69 14.657 -37.530 40.019 1.00 24.11 ATOM 1100 N PRO 70 14.951 -36.610 38.005 1.00 2.12 ATOM 1101 CA PRO 70 15.329 -37.881 37.359 1.00 51.14 ATOM 1102 HA PRO 70 14.566 -38.633 37.512 1.00 53.11 ATOM 1103 CB PRO 70 15.397 -37.524 35.863 1.00 14.21 ATOM 1104 HB1 PRO 70 14.918 -38.302 35.284 1.00 36.71 ATOM 1105 HB2 PRO 70 16.430 -37.429 35.555 1.00 1.03 ATOM 1106 CG PRO 70 14.667 -36.224 35.733 1.00 65.23 ATOM 1107 HG1 PRO 70 13.615 -36.409 35.564 1.00 36.71 ATOM 1108 HG2 PRO 70 15.081 -35.648 34.919 1.00 25.42 ATOM 1109 CD PRO 70 14.865 -35.505 37.040 1.00 60.14 ATOM 1110 HD1 PRO 70 14.017 -34.869 37.258 1.00 36.71 ATOM 1111 HD2 PRO 70 15.776 -34.927 37.029 1.00 35.15 ATOM 1112 C PRO 70 16.684 -38.437 37.846 1.00 75.44 ATOM 1113 O PRO 70 17.734 -37.817 37.651 1.00 11.21 ATOM 1114 N ARG 71 16.653 -39.610 38.483 1.00 53.50 ATOM 1115 HN ARG 71 15.782 -40.034 38.656 1.00 36.71 ATOM 1116 CA ARG 71 17.878 -40.296 38.926 1.00 5.41 ATOM 1117 HA ARG 71 18.606 -39.539 39.180 1.00 31.14 ATOM 1118 CB ARG 71 17.608 -41.167 40.171 1.00 34.11 ATOM 1119 HB1 ARG 71 18.417 -41.877 40.277 1.00 36.71 ATOM 1120 HB2 ARG 71 16.688 -41.714 40.018 1.00 5.23 ATOM 1121 CG ARG 71 17.486 -40.392 41.485 1.00 44.41 ATOM 1122 HG1 ARG 71 18.330 -39.722 41.572 1.00 36.71 ATOM 1123 HG2 ARG 71 17.506 -41.095 42.306 1.00 24.52 ATOM 1124 CD ARG 71 16.201 -39.580 41.577 1.00 51.11 ATOM 1125 HD1 ARG 71 15.359 -40.258 41.594 1.00 36.71 ATOM 1126 HD2 ARG 71 16.130 -38.938 40.710 1.00 3.05 ATOM 1127 NE ARG 71 16.170 -38.753 42.784 1.00 64.04 ATOM 1128 HE ARG 71 16.973 -38.741 43.343 1.00 52.14 ATOM 1129 CZ ARG 71 15.161 -38.012 43.149 1.00 13.02 ATOM 1130 NH1 ARG 71 14.053 -38.018 42.479 1.00 21.03 ATOM 1131 HH11 ARG 71 13.961 -38.597 41.670 1.00 60.04 ATOM 1132 HH12 ARG 71 13.295 -37.440 42.766 1.00 12.25 ATOM 1133 NH2 ARG 71 15.266 -37.269 44.201 1.00 74.40 ATOM 1134 HH21 ARG 71 16.117 -37.271 44.723 1.00 61.03 ATOM 1135 HH22 ARG 71 14.505 -36.688 44.483 1.00 25.53 ATOM 1136 C ARG 71 18.456 -41.179 37.809 1.00 54.22 ATOM 1137 O ARG 71 19.674 -41.344 37.698 1.00 31.43 ATOM 1138 N SER 72 17.577 -41.747 36.987 1.00 11.13 ATOM 1139 HN SER 72 16.625 -41.537 37.097 1.00 36.71 ATOM 1140 CA SER 72 17.983 -42.674 35.920 1.00 15.44 ATOM 1141 HA SER 72 19.063 -42.684 35.881 1.00 40.12 ATOM 1142 CB SER 72 17.486 -44.093 36.233 1.00 1.21 ATOM 1143 HB1 SER 72 17.820 -44.768 35.457 1.00 36.71 ATOM 1144 HB2 SER 72 16.406 -44.097 36.270 1.00 51.31 ATOM 1145 OG SER 72 17.983 -44.555 37.482 1.00 3.41 ATOM 1146 HG SER 72 17.392 -44.261 38.190 1.00 70.33 ATOM 1147 C SER 72 17.447 -42.229 34.550 1.00 15.32 ATOM 1148 O SER 72 16.445 -41.513 34.464 1.00 22.34 ATOM 1149 N GLU 73 18.111 -42.684 33.483 1.00 4.13 ATOM 1150 HN GLU 73 18.876 -43.283 33.625 1.00 36.71 ATOM 1151 CA GLU 73 17.754 -42.318 32.101 1.00 33.12 ATOM 1152 HA GLU 73 17.987 -41.271 31.971 1.00 12.22 ATOM 1153 CB GLU 73 18.603 -43.136 31.112 1.00 4.13 ATOM 1154 HB1 GLU 73 18.431 -44.189 31.295 1.00 36.71 ATOM 1155 HB2 GLU 73 19.647 -42.919 31.291 1.00 64.31 ATOM 1156 CG GLU 73 18.303 -42.851 29.644 1.00 11.12 ATOM 1157 HG1 GLU 73 18.426 -41.792 29.465 1.00 36.71 ATOM 1158 HG2 GLU 73 17.277 -43.128 29.438 1.00 23.33 ATOM 1159 CD GLU 73 19.214 -43.619 28.697 1.00 55.02 ATOM 1160 OE1 GLU 73 20.243 -43.060 28.268 1.00 71.54 ATOM 1161 OE2 GLU 73 18.910 -44.788 28.384 1.00 33.41 ATOM 1162 C GLU 73 16.255 -42.524 31.806 1.00 71.41 ATOM 1163 O GLU 73 15.596 -41.638 31.255 1.00 23.01 ATOM 1164 N SER 74 15.725 -43.688 32.188 1.00 22.51 ATOM 1165 HN SER 74 16.302 -44.348 32.635 1.00 36.71 ATOM 1166 CA SER 74 14.306 -44.022 31.949 1.00 21.34 ATOM 1167 HA SER 74 14.171 -44.116 30.881 1.00 33.23 ATOM 1168 CB SER 74 13.947 -45.360 32.610 1.00 21.35 ATOM 1169 HB1 SER 74 14.172 -45.311 33.667 1.00 36.71 ATOM 1170 HB2 SER 74 14.527 -46.152 32.156 1.00 4.02 ATOM 1171 OG SER 74 12.565 -45.659 32.454 1.00 60.44 ATOM 1172 HG SER 74 12.421 -46.603 32.603 1.00 64.11 ATOM 1173 C SER 74 13.354 -42.936 32.471 1.00 11.11 ATOM 1174 O SER 74 12.301 -42.683 31.880 1.00 71.41 ATOM 1175 N GLU 75 13.728 -42.295 33.578 1.00 13.41 ATOM 1176 HN GLU 75 14.578 -42.534 34.004 1.00 36.71 ATOM 1177 CA GLU 75 12.907 -41.233 34.172 1.00 24.30 ATOM 1178 HA GLU 75 11.889 -41.600 34.229 1.00 22.22 ATOM 1179 CB GLU 75 13.395 -40.916 35.591 1.00 2.42 ATOM 1180 HB1 GLU 75 12.816 -40.092 35.986 1.00 36.71 ATOM 1181 HB2 GLU 75 14.435 -40.623 35.545 1.00 45.40 ATOM 1182 CG GLU 75 13.270 -42.092 36.552 1.00 54.24 ATOM 1183 HG1 GLU 75 13.844 -42.922 36.160 1.00 36.71 ATOM 1184 HG2 GLU 75 12.229 -42.379 36.618 1.00 32.15 ATOM 1185 CD GLU 75 13.777 -41.767 37.945 1.00 32.03 ATOM 1186 OE1 GLU 75 12.956 -41.522 38.850 1.00 65.22 ATOM 1187 OE2 GLU 75 15.006 -41.755 38.137 1.00 32.32 ATOM 1188 C GLU 75 12.920 -39.968 33.302 1.00 73.01 ATOM 1189 O GLU 75 11.868 -39.396 33.016 1.00 72.51 ATOM 1190 N CYS 76 14.110 -39.541 32.872 1.00 44.32 ATOM 1191 HN CYS 76 14.922 -40.000 33.179 1.00 36.71 ATOM 1192 CA CYS 76 14.233 -38.398 31.953 1.00 4.31 ATOM 1193 HA CYS 76 13.847 -37.523 32.456 1.00 44.44 ATOM 1194 CB CYS 76 15.703 -38.156 31.576 1.00 11.41 ATOM 1195 HB1 CYS 76 15.764 -37.290 30.930 1.00 36.71 ATOM 1196 HB2 CYS 76 16.079 -39.017 31.044 1.00 54.13 ATOM 1197 SG CYS 76 16.801 -37.865 32.985 1.00 63.21 ATOM 1198 HG CYS 76 17.148 -36.583 32.980 1.00 20.51 ATOM 1199 C CYS 76 13.415 -38.643 30.676 1.00 60.21 ATOM 1200 O CYS 76 12.679 -37.772 30.209 1.00 35.25 ATOM 1201 N LEU 77 13.545 -39.852 30.129 1.00 33.23 ATOM 1202 HN LEU 77 14.162 -40.495 30.543 1.00 36.71 ATOM 1203 CA LEU 77 12.806 -40.250 28.929 1.00 35.00 ATOM 1204 HA LEU 77 13.022 -39.525 28.156 1.00 65.12 ATOM 1205 CB LEU 77 13.274 -41.635 28.456 1.00 21.14 ATOM 1206 HB1 LEU 77 12.717 -41.898 27.568 1.00 36.71 ATOM 1207 HB2 LEU 77 13.043 -42.355 29.230 1.00 21.32 ATOM 1208 CG LEU 77 14.775 -41.744 28.130 1.00 13.14 ATOM 1209 HG LEU 77 15.343 -41.520 29.023 1.00 43.11 ATOM 1210 CD1 LEU 77 15.136 -43.162 27.697 1.00 50.13 ATOM 1211 HD11 LEU 77 16.195 -43.214 27.480 1.00 12.40 ATOM 1212 HD12 LEU 77 14.575 -43.427 26.812 1.00 35.41 ATOM 1213 HD13 LEU 77 14.899 -43.853 28.493 1.00 5.12 ATOM 1214 CD2 LEU 77 15.175 -40.733 27.057 1.00 33.12 ATOM 1215 HD21 LEU 77 14.953 -39.733 27.401 1.00 1.31 ATOM 1216 HD22 LEU 77 14.624 -40.931 26.148 1.00 62.15 ATOM 1217 HD23 LEU 77 16.234 -40.817 26.860 1.00 52.31 ATOM 1218 C LEU 77 11.290 -40.259 29.181 1.00 54.41 ATOM 1219 O LEU 77 10.513 -39.819 28.334 1.00 73.52 ATOM 1220 N SER 78 10.877 -40.753 30.352 1.00 72.21 ATOM 1221 HN SER 78 11.543 -41.110 30.977 1.00 36.71 ATOM 1222 CA SER 78 9.451 -40.784 30.726 1.00 2.14 ATOM 1223 HA SER 78 8.936 -41.399 30.001 1.00 50.32 ATOM 1224 CB SER 78 9.256 -41.397 32.120 1.00 75.15 ATOM 1225 HB1 SER 78 9.820 -40.828 32.846 1.00 36.71 ATOM 1226 HB2 SER 78 9.609 -42.419 32.115 1.00 50.14 ATOM 1227 OG SER 78 7.883 -41.389 32.503 1.00 23.52 ATOM 1228 HG SER 78 7.344 -41.112 31.753 1.00 33.34 ATOM 1229 C SER 78 8.831 -39.385 30.707 1.00 44.11 ATOM 1230 O SER 78 7.718 -39.198 30.219 1.00 52.21 ATOM 1231 N ASN 79 9.556 -38.408 31.245 1.00 34.45 ATOM 1232 HN ASN 79 10.430 -38.625 31.637 1.00 36.71 ATOM 1233 CA ASN 79 9.081 -37.020 31.283 1.00 34.23 ATOM 1234 HA ASN 79 8.128 -37.013 31.795 1.00 12.21 ATOM 1235 CB ASN 79 10.065 -36.149 32.064 1.00 43.43 ATOM 1236 HB1 ASN 79 9.679 -35.141 32.126 1.00 36.71 ATOM 1237 HB2 ASN 79 11.015 -36.135 31.547 1.00 11.00 ATOM 1238 CG ASN 79 10.294 -36.661 33.472 1.00 43.05 ATOM 1239 OD1 ASN 79 9.437 -37.310 34.057 1.00 12.22 ATOM 1240 ND2 ASN 79 11.450 -36.369 34.030 1.00 0.40 ATOM 1241 HD21 ASN 79 12.093 -35.845 33.511 1.00 73.21 ATOM 1242 HD22 ASN 79 11.613 -36.681 34.941 1.00 25.33 ATOM 1243 C ASN 79 8.878 -36.456 29.868 1.00 4.41 ATOM 1244 O ASN 79 7.923 -35.719 29.608 1.00 23.30 ATOM 1245 N ILE 80 9.780 -36.807 28.953 1.00 41.32 ATOM 1246 HN ILE 80 10.549 -37.353 29.224 1.00 36.71 ATOM 1247 CA ILE 80 9.652 -36.391 27.554 1.00 70.04 ATOM 1248 HA ILE 80 9.452 -35.327 27.543 1.00 22.44 ATOM 1249 CB ILE 80 10.957 -36.648 26.759 1.00 12.41 ATOM 1250 HB ILE 80 11.123 -37.716 26.723 1.00 33.54 ATOM 1251 CG1 ILE 80 12.157 -35.977 27.458 1.00 70.21 ATOM 1252 HG11 ILE 80 12.225 -36.344 28.473 1.00 36.71 ATOM 1253 HG12 ILE 80 12.006 -34.908 27.478 1.00 62.21 ATOM 1254 CG2 ILE 80 10.815 -36.142 25.321 1.00 35.32 ATOM 1255 HG21 ILE 80 9.994 -36.653 24.838 1.00 51.30 ATOM 1256 HG22 ILE 80 11.726 -36.335 24.775 1.00 75.23 ATOM 1257 HG23 ILE 80 10.620 -35.078 25.327 1.00 72.42 ATOM 1258 CD1 ILE 80 13.489 -36.239 26.782 1.00 25.20 ATOM 1259 HD11 ILE 80 13.465 -35.853 25.773 1.00 11.42 ATOM 1260 HD12 ILE 80 13.677 -37.302 26.755 1.00 62.31 ATOM 1261 HD13 ILE 80 14.277 -35.749 27.336 1.00 54.02 ATOM 1262 C ILE 80 8.482 -37.123 26.870 1.00 12.03 ATOM 1263 O ILE 80 7.669 -36.506 26.181 1.00 24.44 ATOM 1264 N ARG 81 8.395 -38.442 27.078 1.00 21.15 ATOM 1265 HN ARG 81 9.079 -38.882 27.623 1.00 36.71 ATOM 1266 CA ARG 81 7.296 -39.246 26.520 1.00 25.21 ATOM 1267 HA ARG 81 7.332 -39.146 25.444 1.00 2.52 ATOM 1268 CB ARG 81 7.457 -40.730 26.891 1.00 11.43 ATOM 1269 HB1 ARG 81 6.604 -41.277 26.512 1.00 36.71 ATOM 1270 HB2 ARG 81 7.473 -40.816 27.969 1.00 3.23 ATOM 1271 CG ARG 81 8.723 -41.387 26.344 1.00 63.34 ATOM 1272 HG1 ARG 81 8.754 -42.415 26.678 1.00 36.71 ATOM 1273 HG2 ARG 81 9.585 -40.861 26.730 1.00 3.13 ATOM 1274 CD ARG 81 8.774 -41.361 24.818 1.00 3.55 ATOM 1275 HD1 ARG 81 9.675 -41.866 24.494 1.00 36.71 ATOM 1276 HD2 ARG 81 8.804 -40.333 24.487 1.00 41.22 ATOM 1277 NE ARG 81 7.617 -42.016 24.209 1.00 14.33 ATOM 1278 HE ARG 81 6.853 -42.223 24.787 1.00 15.31 ATOM 1279 CZ ARG 81 7.534 -42.335 22.945 1.00 53.54 ATOM 1280 NH1 ARG 81 8.535 -42.150 22.143 1.00 52.35 ATOM 1281 HH11 ARG 81 9.388 -41.771 22.484 1.00 4.34 ATOM 1282 HH12 ARG 81 8.449 -42.396 21.181 1.00 52.24 ATOM 1283 NH2 ARG 81 6.453 -42.872 22.490 1.00 32.02 ATOM 1284 HH21 ARG 81 5.687 -43.048 23.106 1.00 63.20 ATOM 1285 HH22 ARG 81 6.390 -43.121 21.526 1.00 74.03 ATOM 1286 C ARG 81 5.933 -38.740 27.014 1.00 30.03 ATOM 1287 O ARG 81 4.955 -38.728 26.266 1.00 22.52 ATOM 1288 N GLU 82 5.884 -38.328 28.279 1.00 12.32 ATOM 1289 HN GLU 82 6.690 -38.409 28.831 1.00 36.71 ATOM 1290 CA GLU 82 4.668 -37.777 28.883 1.00 4.04 ATOM 1291 HA GLU 82 3.887 -38.521 28.796 1.00 0.44 ATOM 1292 CB GLU 82 4.921 -37.478 30.373 1.00 54.33 ATOM 1293 HB1 GLU 82 5.195 -36.437 30.481 1.00 36.71 ATOM 1294 HB2 GLU 82 5.745 -38.090 30.715 1.00 70.23 ATOM 1295 CG GLU 82 3.726 -37.753 31.279 1.00 43.32 ATOM 1296 HG1 GLU 82 2.897 -37.135 30.962 1.00 36.71 ATOM 1297 HG2 GLU 82 3.996 -37.496 32.293 1.00 10.01 ATOM 1298 CD GLU 82 3.295 -39.217 31.249 1.00 42.21 ATOM 1299 OE1 GLU 82 4.087 -40.086 31.677 1.00 42.31 ATOM 1300 OE2 GLU 82 2.166 -39.510 30.807 1.00 54.44 ATOM 1301 C GLU 82 4.227 -36.501 28.141 1.00 21.04 ATOM 1302 O GLU 82 3.056 -36.339 27.790 1.00 63.04 ATOM 1303 N PHE 83 5.187 -35.607 27.898 1.00 52.54 ATOM 1304 HN PHE 83 6.083 -35.765 28.269 1.00 36.71 ATOM 1305 CA PHE 83 4.953 -34.393 27.102 1.00 54.44 ATOM 1306 HA PHE 83 4.222 -33.790 27.622 1.00 44.44 ATOM 1307 CB PHE 83 6.266 -33.599 26.987 1.00 61.44 ATOM 1308 HB1 PHE 83 7.039 -34.256 26.611 1.00 36.71 ATOM 1309 HB2 PHE 83 6.551 -33.251 27.970 1.00 71.01 ATOM 1310 CG PHE 83 6.194 -32.394 26.078 1.00 53.34 ATOM 1311 CD1 PHE 83 6.750 -32.432 24.806 1.00 22.21 ATOM 1312 HD1 PHE 83 7.233 -33.337 24.465 1.00 21.12 ATOM 1313 CD2 PHE 83 5.577 -31.223 26.499 1.00 52.12 ATOM 1314 HD2 PHE 83 5.141 -31.179 27.487 1.00 43.33 ATOM 1315 CE1 PHE 83 6.691 -31.330 23.974 1.00 70.41 ATOM 1316 HE1 PHE 83 7.130 -31.374 22.987 1.00 21.42 ATOM 1317 CE2 PHE 83 5.516 -30.119 25.669 1.00 32.13 ATOM 1318 HE2 PHE 83 5.034 -29.214 26.009 1.00 54.33 ATOM 1319 CZ PHE 83 6.074 -30.173 24.406 1.00 15.12 ATOM 1320 HZ PHE 83 6.028 -29.311 23.757 1.00 54.25 ATOM 1321 C PHE 83 4.410 -34.738 25.702 1.00 13.24 ATOM 1322 O PHE 83 3.432 -34.146 25.236 1.00 65.04 ATOM 1323 N LEU 84 5.053 -35.702 25.042 1.00 62.43 ATOM 1324 HN LEU 84 5.847 -36.107 25.455 1.00 36.71 ATOM 1325 CA LEU 84 4.621 -36.171 23.717 1.00 34.41 ATOM 1326 HA LEU 84 4.662 -35.332 23.037 1.00 64.02 ATOM 1327 CB LEU 84 5.572 -37.269 23.218 1.00 10.31 ATOM 1328 HB1 LEU 84 5.246 -37.581 22.235 1.00 36.71 ATOM 1329 HB2 LEU 84 5.492 -38.115 23.888 1.00 44.24 ATOM 1330 CG LEU 84 7.054 -36.868 23.127 1.00 35.42 ATOM 1331 HG LEU 84 7.374 -36.491 24.088 1.00 45.41 ATOM 1332 CD1 LEU 84 7.922 -38.080 22.792 1.00 3.45 ATOM 1333 HD11 LEU 84 7.637 -38.476 21.826 1.00 63.10 ATOM 1334 HD12 LEU 84 7.784 -38.841 23.546 1.00 21.53 ATOM 1335 HD13 LEU 84 8.961 -37.785 22.767 1.00 41.51 ATOM 1336 CD2 LEU 84 7.250 -35.755 22.098 1.00 2.22 ATOM 1337 HD21 LEU 84 6.908 -36.091 21.130 1.00 52.22 ATOM 1338 HD22 LEU 84 8.298 -35.499 22.038 1.00 23.12 ATOM 1339 HD23 LEU 84 6.685 -34.883 22.395 1.00 44.52 ATOM 1340 C LEU 84 3.181 -36.712 23.758 1.00 23.42 ATOM 1341 O LEU 84 2.370 -36.426 22.878 1.00 11.03 ATOM 1342 N ARG 85 2.883 -37.496 24.791 1.00 12.44 ATOM 1343 HN ARG 85 3.584 -37.694 25.446 1.00 36.71 ATOM 1344 CA ARG 85 1.548 -38.070 24.994 1.00 51.35 ATOM 1345 HA ARG 85 1.298 -38.637 24.109 1.00 1.45 ATOM 1346 CB ARG 85 1.587 -39.027 26.199 1.00 52.22 ATOM 1347 HB1 ARG 85 0.585 -39.144 26.589 1.00 36.71 ATOM 1348 HB2 ARG 85 2.212 -38.591 26.967 1.00 11.34 ATOM 1349 CG ARG 85 2.136 -40.416 25.859 1.00 44.54 ATOM 1350 HG1 ARG 85 2.849 -40.323 25.050 1.00 36.71 ATOM 1351 HG2 ARG 85 1.318 -41.045 25.541 1.00 51.21 ATOM 1352 CD ARG 85 2.827 -41.083 27.049 1.00 23.24 ATOM 1353 HD1 ARG 85 3.801 -40.632 27.181 1.00 36.71 ATOM 1354 HD2 ARG 85 2.953 -42.135 26.832 1.00 5.52 ATOM 1355 NE ARG 85 2.074 -40.945 28.292 1.00 31.31 ATOM 1356 HE ARG 85 2.246 -40.150 28.836 1.00 54.14 ATOM 1357 CZ ARG 85 1.227 -41.825 28.750 1.00 4.32 ATOM 1358 NH1 ARG 85 0.924 -42.880 28.067 1.00 63.13 ATOM 1359 HH11 ARG 85 1.341 -43.035 27.176 1.00 13.30 ATOM 1360 HH12 ARG 85 0.271 -43.540 28.436 1.00 73.22 ATOM 1361 NH2 ARG 85 0.673 -41.631 29.898 1.00 51.10 ATOM 1362 HH21 ARG 85 0.899 -40.812 30.427 1.00 12.04 ATOM 1363 HH22 ARG 85 0.029 -42.300 30.264 1.00 4.44 ATOM 1364 C ARG 85 0.481 -36.979 25.193 1.00 41.32 ATOM 1365 O ARG 85 -0.628 -37.079 24.667 1.00 24.34 ATOM 1366 N GLY 86 0.822 -35.938 25.947 1.00 42.42 ATOM 1367 HN GLY 86 1.712 -35.920 26.362 1.00 36.71 ATOM 1368 CA GLY 86 -0.108 -34.837 26.170 1.00 30.23 ATOM 1369 HA1 GLY 86 0.295 -34.195 26.939 1.00 36.71 ATOM 1370 HA2 GLY 86 -1.048 -35.241 26.516 1.00 34.42 ATOM 1371 C GLY 86 -0.361 -34.003 24.912 1.00 75.43 ATOM 1372 O GLY 86 -1.494 -33.923 24.423 1.00 44.11 ATOM 1373 N CYS 87 0.698 -33.390 24.379 1.00 24.14 ATOM 1374 HN CYS 87 1.577 -33.495 24.809 1.00 36.71 ATOM 1375 CA CYS 87 0.591 -32.558 23.170 1.00 2.22 ATOM 1376 HA CYS 87 -0.114 -31.766 23.379 1.00 11.43 ATOM 1377 CB CYS 87 1.948 -31.930 22.829 1.00 64.04 ATOM 1378 HB1 CYS 87 1.851 -31.343 21.927 1.00 36.71 ATOM 1379 HB2 CYS 87 2.671 -32.715 22.666 1.00 52.21 ATOM 1380 SG CYS 87 2.604 -30.847 24.116 1.00 53.22 ATOM 1381 HG CYS 87 3.714 -30.293 23.651 1.00 61.43 ATOM 1382 C CYS 87 0.080 -33.362 21.967 1.00 44.13 ATOM 1383 O CYS 87 -0.741 -32.874 21.189 1.00 72.30 ATOM 1384 N GLY 88 0.565 -34.595 21.826 1.00 70.31 ATOM 1385 HN GLY 88 1.210 -34.932 22.485 1.00 36.71 ATOM 1386 CA GLY 88 0.161 -35.451 20.713 1.00 14.22 ATOM 1387 HA1 GLY 88 0.774 -36.341 20.724 1.00 36.71 ATOM 1388 HA2 GLY 88 0.340 -34.923 19.787 1.00 73.14 ATOM 1389 C GLY 88 -1.308 -35.869 20.762 1.00 13.11 ATOM 1390 O GLY 88 -1.903 -36.180 19.730 1.00 13.35 ATOM 1391 N ALA 89 -1.895 -35.886 21.957 1.00 1.14 ATOM 1392 HN ALA 89 -1.364 -35.661 22.751 1.00 36.71 ATOM 1393 CA ALA 89 -3.307 -36.258 22.119 1.00 42.22 ATOM 1394 HA ALA 89 -3.537 -37.019 21.383 1.00 13.01 ATOM 1395 CB ALA 89 -3.535 -36.861 23.501 1.00 53.20 ATOM 1396 HB1 ALA 89 -3.377 -36.104 24.256 1.00 12.22 ATOM 1397 HB2 ALA 89 -2.843 -37.675 23.658 1.00 35.44 ATOM 1398 HB3 ALA 89 -4.547 -37.232 23.571 1.00 71.53 ATOM 1399 C ALA 89 -4.244 -35.060 21.901 1.00 34.12 ATOM 1400 O ALA 89 -5.157 -35.113 21.076 1.00 62.41 ATOM 1401 N SER 90 -4.014 -33.978 22.645 1.00 74.34 ATOM 1402 HN SER 90 -3.249 -33.981 23.263 1.00 36.71 ATOM 1403 CA SER 90 -4.877 -32.786 22.568 1.00 1.42 ATOM 1404 HA SER 90 -5.902 -33.128 22.551 1.00 15.11 ATOM 1405 CB SER 90 -4.682 -31.892 23.801 1.00 55.12 ATOM 1406 HB1 SER 90 -3.640 -31.617 23.885 1.00 36.71 ATOM 1407 HB2 SER 90 -4.982 -32.430 24.688 1.00 2.02 ATOM 1408 OG SER 90 -5.460 -30.708 23.707 1.00 12.23 ATOM 1409 HG SER 90 -6.168 -30.734 24.368 1.00 21.13 ATOM 1410 C SER 90 -4.619 -31.965 21.295 1.00 51.41 ATOM 1411 O SER 90 -5.527 -31.733 20.497 1.00 63.31 ATOM 1412 N LEU 91 -3.377 -31.527 21.110 1.00 61.12 ATOM 1413 HN LEU 91 -2.685 -31.774 21.759 1.00 36.71 ATOM 1414 CA LEU 91 -3.014 -30.679 19.965 1.00 12.14 ATOM 1415 HA LEU 91 -3.867 -30.055 19.738 1.00 22.31 ATOM 1416 CB LEU 91 -1.837 -29.774 20.352 1.00 45.13 ATOM 1417 HB1 LEU 91 -1.426 -29.339 19.452 1.00 36.71 ATOM 1418 HB2 LEU 91 -1.076 -30.389 20.814 1.00 40.32 ATOM 1419 CG LEU 91 -2.197 -28.632 21.319 1.00 23.23 ATOM 1420 HG LEU 91 -2.787 -29.032 22.133 1.00 14.32 ATOM 1421 CD1 LEU 91 -0.944 -28.002 21.918 1.00 33.40 ATOM 1422 HD11 LEU 91 -0.330 -27.592 21.128 1.00 21.15 ATOM 1423 HD12 LEU 91 -0.383 -28.753 22.456 1.00 72.50 ATOM 1424 HD13 LEU 91 -1.229 -27.212 22.598 1.00 52.43 ATOM 1425 CD2 LEU 91 -3.040 -27.577 20.602 1.00 31.21 ATOM 1426 HD21 LEU 91 -3.294 -26.787 21.293 1.00 51.54 ATOM 1427 HD22 LEU 91 -3.946 -28.032 20.228 1.00 3.42 ATOM 1428 HD23 LEU 91 -2.476 -27.165 19.774 1.00 14.35 ATOM 1429 C LEU 91 -2.671 -31.502 18.715 1.00 0.24 ATOM 1430 O LEU 91 -2.828 -31.027 17.590 1.00 22.23 ATOM 1431 N ARG 92 -2.195 -32.730 18.923 1.00 23.32 ATOM 1432 HN ARG 92 -2.062 -33.032 19.844 1.00 36.71 ATOM 1433 CA ARG 92 -1.867 -33.650 17.822 1.00 54.13 ATOM 1434 HA ARG 92 -1.463 -34.549 18.263 1.00 54.20 ATOM 1435 CB ARG 92 -3.144 -34.014 17.047 1.00 11.33 ATOM 1436 HB1 ARG 92 -2.910 -34.791 16.333 1.00 36.71 ATOM 1437 HB2 ARG 92 -3.493 -33.141 16.514 1.00 65.43 ATOM 1438 CG ARG 92 -4.277 -34.513 17.941 1.00 1.11 ATOM 1439 HG1 ARG 92 -4.552 -33.725 18.630 1.00 36.71 ATOM 1440 HG2 ARG 92 -3.932 -35.372 18.499 1.00 24.21 ATOM 1441 CD ARG 92 -5.505 -34.912 17.132 1.00 70.43 ATOM 1442 HD1 ARG 92 -5.809 -34.072 16.523 1.00 36.71 ATOM 1443 HD2 ARG 92 -6.305 -35.166 17.815 1.00 73.01 ATOM 1444 NE ARG 92 -5.242 -36.057 16.264 1.00 22.52 ATOM 1445 HE ARG 92 -4.317 -36.370 16.191 1.00 45.44 ATOM 1446 CZ ARG 92 -6.162 -36.698 15.600 1.00 63.13 ATOM 1447 NH1 ARG 92 -7.399 -36.311 15.638 1.00 11.45 ATOM 1448 HH11 ARG 92 -7.655 -35.512 16.176 1.00 60.23 ATOM 1449 HH12 ARG 92 -8.096 -36.815 15.131 1.00 13.22 ATOM 1450 NH2 ARG 92 -5.832 -37.721 14.886 1.00 43.52 ATOM 1451 HH21 ARG 92 -4.876 -38.010 14.843 1.00 61.42 ATOM 1452 HH22 ARG 92 -6.531 -38.228 14.383 1.00 42.34 ATOM 1453 C ARG 92 -0.805 -33.058 16.873 1.00 53.13 ATOM 1454 O ARG 92 -0.710 -33.441 15.707 1.00 71.15 ATOM 1455 N LEU 93 0.013 -32.148 17.401 1.00 72.12 ATOM 1456 HN LEU 93 -0.077 -31.931 18.350 1.00 36.71 ATOM 1457 CA LEU 93 1.046 -31.465 16.610 1.00 64.11 ATOM 1458 HA LEU 93 0.599 -31.192 15.664 1.00 63.41 ATOM 1459 CB LEU 93 1.479 -30.173 17.332 1.00 65.24 ATOM 1460 HB1 LEU 93 0.660 -29.469 17.272 1.00 36.71 ATOM 1461 HB2 LEU 93 2.321 -29.754 16.797 1.00 23.01 ATOM 1462 CG LEU 93 1.877 -30.320 18.817 1.00 73.24 ATOM 1463 HG LEU 93 1.205 -31.024 19.290 1.00 41.02 ATOM 1464 CD1 LEU 93 3.295 -30.863 18.969 1.00 25.32 ATOM 1465 HD11 LEU 93 3.358 -31.842 18.517 1.00 12.34 ATOM 1466 HD12 LEU 93 3.542 -30.935 20.018 1.00 11.43 ATOM 1467 HD13 LEU 93 3.990 -30.195 18.481 1.00 52.24 ATOM 1468 CD2 LEU 93 1.738 -28.988 19.545 1.00 54.51 ATOM 1469 HD21 LEU 93 0.728 -28.622 19.437 1.00 22.35 ATOM 1470 HD22 LEU 93 2.429 -28.270 19.125 1.00 31.12 ATOM 1471 HD23 LEU 93 1.957 -29.127 20.595 1.00 21.15 ATOM 1472 C LEU 93 2.253 -32.378 16.321 1.00 61.30 ATOM 1473 O LEU 93 2.392 -33.447 16.922 1.00 30.02 ATOM 1474 N GLU 94 3.111 -31.961 15.381 1.00 73.24 ATOM 1475 HN GLU 94 2.936 -31.112 14.924 1.00 36.71 ATOM 1476 CA GLU 94 4.303 -32.742 15.009 1.00 32.14 ATOM 1477 HA GLU 94 3.960 -33.709 14.662 1.00 21.40 ATOM 1478 CB GLU 94 5.066 -32.058 13.862 1.00 31.10 ATOM 1479 HB1 GLU 94 5.981 -32.605 13.676 1.00 36.71 ATOM 1480 HB2 GLU 94 5.316 -31.050 14.161 1.00 61.22 ATOM 1481 CG GLU 94 4.280 -31.988 12.556 1.00 61.02 ATOM 1482 HG1 GLU 94 3.427 -31.338 12.701 1.00 36.71 ATOM 1483 HG2 GLU 94 3.931 -32.981 12.307 1.00 14.45 ATOM 1484 CD GLU 94 5.110 -31.459 11.394 1.00 12.30 ATOM 1485 OE1 GLU 94 5.949 -32.217 10.859 1.00 42.02 ATOM 1486 OE2 GLU 94 4.930 -30.285 11.003 1.00 41.14 ATOM 1487 C GLU 94 5.237 -32.964 16.210 1.00 2.23 ATOM 1488 O GLU 94 5.708 -32.014 16.834 1.00 20.13 ATOM 1489 N THR 95 5.504 -34.232 16.517 1.00 54.35 ATOM 1490 HN THR 95 5.176 -34.940 15.926 1.00 36.71 ATOM 1491 CA THR 95 6.277 -34.606 17.711 1.00 4.01 ATOM 1492 HA THR 95 6.428 -33.714 18.305 1.00 33.01 ATOM 1493 CB THR 95 5.494 -35.627 18.575 1.00 61.32 ATOM 1494 HB THR 95 6.132 -35.956 19.385 1.00 45.20 ATOM 1495 OG1 THR 95 5.129 -36.768 17.780 1.00 0.40 ATOM 1496 HG1 THR 95 5.434 -37.573 18.217 1.00 21.35 ATOM 1497 CG2 THR 95 4.238 -34.999 19.174 1.00 43.41 ATOM 1498 HG21 THR 95 3.596 -34.646 18.379 1.00 53.11 ATOM 1499 HG22 THR 95 4.515 -34.169 19.807 1.00 71.23 ATOM 1500 HG23 THR 95 3.710 -35.737 19.760 1.00 43.21 ATOM 1501 C THR 95 7.652 -35.205 17.367 1.00 12.45 ATOM 1502 O THR 95 8.011 -35.364 16.199 1.00 55.01 ATOM 1503 N PHE 96 8.410 -35.538 18.412 1.00 5.44 ATOM 1504 HN PHE 96 8.060 -35.378 19.311 1.00 36.71 ATOM 1505 CA PHE 96 9.745 -36.138 18.280 1.00 5.21 ATOM 1506 HA PHE 96 9.848 -36.518 17.272 1.00 24.31 ATOM 1507 CB PHE 96 10.828 -35.075 18.534 1.00 54.14 ATOM 1508 HB1 PHE 96 10.734 -34.293 17.794 1.00 36.71 ATOM 1509 HB2 PHE 96 11.803 -35.534 18.436 1.00 72.45 ATOM 1510 CG PHE 96 10.748 -34.435 19.903 1.00 20.31 ATOM 1511 CD1 PHE 96 9.857 -33.399 20.149 1.00 33.43 ATOM 1512 HD1 PHE 96 9.215 -33.051 19.352 1.00 22.22 ATOM 1513 CD2 PHE 96 11.562 -34.869 20.941 1.00 4.14 ATOM 1514 HD2 PHE 96 12.261 -35.674 20.765 1.00 32.34 ATOM 1515 CE1 PHE 96 9.780 -32.811 21.399 1.00 3.03 ATOM 1516 HE1 PHE 96 9.083 -32.004 21.575 1.00 74.12 ATOM 1517 CE2 PHE 96 11.488 -34.285 22.191 1.00 72.12 ATOM 1518 HE2 PHE 96 12.128 -34.634 22.988 1.00 43.42 ATOM 1519 CZ PHE 96 10.597 -33.255 22.420 1.00 24.11 ATOM 1520 HZ PHE 96 10.538 -32.796 23.397 1.00 72.24 ATOM 1521 C PHE 96 9.902 -37.304 19.271 1.00 11.24 ATOM 1522 O PHE 96 8.970 -37.618 20.009 1.00 70.11 ATOM 1523 N ASP 97 11.064 -37.957 19.284 1.00 72.01 ATOM 1524 HN ASP 97 11.761 -37.717 18.638 1.00 36.71 ATOM 1525 CA ASP 97 11.321 -39.035 20.250 1.00 44.12 ATOM 1526 HA ASP 97 10.364 -39.358 20.639 1.00 14.33 ATOM 1527 CB ASP 97 11.995 -40.227 19.565 1.00 41.43 ATOM 1528 HB1 ASP 97 12.969 -39.928 19.204 1.00 36.71 ATOM 1529 HB2 ASP 97 11.389 -40.546 18.728 1.00 2.22 ATOM 1530 CG ASP 97 12.168 -41.399 20.513 1.00 41.35 ATOM 1531 OD1 ASP 97 11.175 -42.114 20.766 1.00 61.41 ATOM 1532 OD2 ASP 97 13.284 -41.592 21.035 1.00 35.05 ATOM 1533 C ASP 97 12.182 -38.545 21.428 1.00 63.43 ATOM 1534 O ASP 97 12.956 -37.594 21.301 1.00 3.02 ATOM 1535 N ALA 98 12.051 -39.219 22.570 1.00 5.04 ATOM 1536 HN ALA 98 11.469 -40.006 22.588 1.00 36.71 ATOM 1537 CA ALA 98 12.758 -38.828 23.794 1.00 55.53 ATOM 1538 HA ALA 98 12.456 -37.819 24.037 1.00 73.34 ATOM 1539 CB ALA 98 12.337 -39.731 24.950 1.00 2.43 ATOM 1540 HB1 ALA 98 12.773 -39.368 25.870 1.00 1.40 ATOM 1541 HB2 ALA 98 12.679 -40.739 24.765 1.00 64.21 ATOM 1542 HB3 ALA 98 11.259 -39.728 25.039 1.00 14.24 ATOM 1543 C ALA 98 14.286 -38.853 23.625 1.00 63.24 ATOM 1544 O ALA 98 14.989 -37.974 24.126 1.00 31.32 ATOM 1545 N ASN 99 14.797 -39.852 22.909 1.00 13.32 ATOM 1546 HN ASN 99 14.190 -40.496 22.483 1.00 36.71 ATOM 1547 CA ASN 99 16.244 -40.013 22.739 1.00 62.42 ATOM 1548 HA ASN 99 16.695 -39.917 23.717 1.00 43.04 ATOM 1549 CB ASN 99 16.561 -41.411 22.195 1.00 22.01 ATOM 1550 HB1 ASN 99 17.625 -41.489 22.013 1.00 36.71 ATOM 1551 HB2 ASN 99 16.030 -41.561 21.267 1.00 74.01 ATOM 1552 CG ASN 99 16.153 -42.511 23.163 1.00 10.43 ATOM 1553 OD1 ASN 99 15.192 -42.376 23.910 1.00 31.40 ATOM 1554 ND2 ASN 99 16.882 -43.604 23.167 1.00 25.33 ATOM 1555 HD21 ASN 99 17.640 -43.657 22.551 1.00 24.42 ATOM 1556 HD22 ASN 99 16.646 -44.313 23.800 1.00 71.33 ATOM 1557 C ASN 99 16.841 -38.923 21.831 1.00 73.42 ATOM 1558 O ASN 99 18.010 -38.561 21.979 1.00 73.52 ATOM 1559 N ASP 100 16.040 -38.385 20.907 1.00 22.25 ATOM 1560 HN ASP 100 15.133 -38.742 20.793 1.00 36.71 ATOM 1561 CA ASP 100 16.490 -37.271 20.064 1.00 23.40 ATOM 1562 HA ASP 100 17.360 -37.607 19.514 1.00 14.23 ATOM 1563 CB ASP 100 15.401 -36.857 19.065 1.00 20.31 ATOM 1564 HB1 ASP 100 15.671 -35.909 18.618 1.00 36.71 ATOM 1565 HB2 ASP 100 14.462 -36.744 19.590 1.00 73.32 ATOM 1566 CG ASP 100 15.215 -37.872 17.955 1.00 62.50 ATOM 1567 OD1 ASP 100 16.161 -38.071 17.164 1.00 22.25 ATOM 1568 OD2 ASP 100 14.119 -38.454 17.846 1.00 35.14 ATOM 1569 C ASP 100 16.893 -36.061 20.921 1.00 22.24 ATOM 1570 O ASP 100 17.945 -35.457 20.709 1.00 34.14 ATOM 1571 N LEU 101 16.053 -35.726 21.896 1.00 13.32 ATOM 1572 HN LEU 101 15.232 -36.250 22.016 1.00 36.71 ATOM 1573 CA LEU 101 16.318 -34.600 22.796 1.00 55.22 ATOM 1574 HA LEU 101 16.721 -33.792 22.202 1.00 43.40 ATOM 1575 CB LEU 101 15.007 -34.130 23.446 1.00 54.11 ATOM 1576 HB1 LEU 101 14.529 -34.989 23.897 1.00 36.71 ATOM 1577 HB2 LEU 101 14.360 -33.753 22.665 1.00 5.33 ATOM 1578 CG LEU 101 15.146 -33.039 24.524 1.00 64.43 ATOM 1579 HG LEU 101 15.713 -33.435 25.354 1.00 3.14 ATOM 1580 CD1 LEU 101 15.896 -31.821 23.985 1.00 51.43 ATOM 1581 HD11 LEU 101 15.955 -31.063 24.753 1.00 1.53 ATOM 1582 HD12 LEU 101 15.376 -31.423 23.126 1.00 14.24 ATOM 1583 HD13 LEU 101 16.896 -32.113 23.695 1.00 21.54 ATOM 1584 CD2 LEU 101 13.769 -32.636 25.046 1.00 54.11 ATOM 1585 HD21 LEU 101 13.882 -31.909 25.836 1.00 72.31 ATOM 1586 HD22 LEU 101 13.261 -33.508 25.431 1.00 21.43 ATOM 1587 HD23 LEU 101 13.186 -32.207 24.242 1.00 75.13 ATOM 1588 C LEU 101 17.346 -34.971 23.880 1.00 1.50 ATOM 1589 O LEU 101 18.346 -34.278 24.061 1.00 73.52 ATOM 1590 N TYR 102 17.104 -36.078 24.579 1.00 41.25 ATOM 1591 HN TYR 102 16.313 -36.616 24.354 1.00 36.71 ATOM 1592 CA TYR 102 17.972 -36.515 25.681 1.00 71.51 ATOM 1593 HA TYR 102 17.951 -35.740 26.434 1.00 13.14 ATOM 1594 CB TYR 102 17.419 -37.809 26.297 1.00 61.45 ATOM 1595 HB1 TYR 102 17.372 -38.573 25.531 1.00 36.71 ATOM 1596 HB2 TYR 102 16.422 -37.623 26.671 1.00 2.22 ATOM 1597 CG TYR 102 18.253 -38.345 27.447 1.00 40.22 ATOM 1598 CD1 TYR 102 18.235 -37.729 28.695 1.00 34.30 ATOM 1599 HD1 TYR 102 17.610 -36.860 28.843 1.00 64.13 ATOM 1600 CD2 TYR 102 19.067 -39.459 27.281 1.00 70.21 ATOM 1601 HD2 TYR 102 19.095 -39.952 26.318 1.00 31.21 ATOM 1602 CE1 TYR 102 19.006 -38.206 29.739 1.00 75.55 ATOM 1603 HE1 TYR 102 18.977 -37.713 30.700 1.00 45.11 ATOM 1604 CE2 TYR 102 19.835 -39.942 28.320 1.00 13.40 ATOM 1605 HE2 TYR 102 20.457 -40.812 28.168 1.00 32.14 ATOM 1606 CZ TYR 102 19.804 -39.315 29.546 1.00 20.31 ATOM 1607 OH TYR 102 20.577 -39.801 30.581 1.00 30.41 ATOM 1608 HH TYR 102 20.076 -39.758 31.402 1.00 11.32 ATOM 1609 C TYR 102 19.434 -36.714 25.229 1.00 52.11 ATOM 1610 O TYR 102 20.370 -36.298 25.916 1.00 54.31 ATOM 1611 N GLN 103 19.623 -37.345 24.071 1.00 62.14 ATOM 1612 HN GLN 103 18.841 -37.654 23.563 1.00 36.71 ATOM 1613 CA GLN 103 20.970 -37.590 23.534 1.00 42.50 ATOM 1614 HA GLN 103 21.649 -37.675 24.372 1.00 72.11 ATOM 1615 CB GLN 103 20.999 -38.911 22.744 1.00 2.40 ATOM 1616 HB1 GLN 103 21.973 -39.021 22.287 1.00 36.71 ATOM 1617 HB2 GLN 103 20.253 -38.865 21.963 1.00 30.30 ATOM 1618 CG GLN 103 20.728 -40.153 23.591 1.00 34.42 ATOM 1619 HG1 GLN 103 20.681 -41.014 22.939 1.00 36.71 ATOM 1620 HG2 GLN 103 19.777 -40.031 24.090 1.00 61.12 ATOM 1621 CD GLN 103 21.802 -40.399 24.644 1.00 53.33 ATOM 1622 OE1 GLN 103 22.960 -40.039 24.465 1.00 35.22 ATOM 1623 NE2 GLN 103 21.433 -41.023 25.747 1.00 60.24 ATOM 1624 HE21 GLN 103 20.497 -41.294 25.838 1.00 13.21 ATOM 1625 HE22 GLN 103 22.115 -41.188 26.432 1.00 51.10 ATOM 1626 C GLN 103 21.448 -36.431 22.636 1.00 4.31 ATOM 1627 O GLN 103 22.564 -36.462 22.119 1.00 40.25 ATOM 1628 N GLY 104 20.597 -35.417 22.448 1.00 62.51 ATOM 1629 HN GLY 104 19.720 -35.443 22.885 1.00 36.71 ATOM 1630 CA GLY 104 20.955 -34.267 21.612 1.00 54.41 ATOM 1631 HA1 GLY 104 21.854 -33.816 22.009 1.00 36.71 ATOM 1632 HA2 GLY 104 20.155 -33.543 21.662 1.00 24.40 ATOM 1633 C GLY 104 21.191 -34.628 20.144 1.00 30.24 ATOM 1634 O GLY 104 22.026 -34.016 19.469 1.00 41.21 ATOM 1635 N GLN 105 20.443 -35.609 19.642 1.00 20.12 ATOM 1636 HN GLN 105 19.773 -36.032 20.218 1.00 36.71 ATOM 1637 CA GLN 105 20.588 -36.068 18.254 1.00 11.42 ATOM 1638 HA GLN 105 21.644 -36.195 18.061 1.00 4.43 ATOM 1639 CB GLN 105 19.884 -37.423 18.052 1.00 64.40 ATOM 1640 HB1 GLN 105 19.955 -37.700 17.008 1.00 36.71 ATOM 1641 HB2 GLN 105 18.840 -37.315 18.312 1.00 53.44 ATOM 1642 CG GLN 105 20.465 -38.562 18.886 1.00 62.22 ATOM 1643 HG1 GLN 105 19.913 -39.466 18.669 1.00 36.71 ATOM 1644 HG2 GLN 105 20.354 -38.318 19.934 1.00 60.43 ATOM 1645 CD GLN 105 21.939 -38.813 18.597 1.00 13.41 ATOM 1646 OE1 GLN 105 22.423 -38.567 17.495 1.00 51.23 ATOM 1647 NE2 GLN 105 22.663 -39.311 19.577 1.00 63.11 ATOM 1648 HE21 GLN 105 22.226 -39.495 20.430 1.00 23.21 ATOM 1649 HE22 GLN 105 23.613 -39.471 19.409 1.00 41.11 ATOM 1650 C GLN 105 20.033 -35.037 17.255 1.00 34.32 ATOM 1651 O GLN 105 20.794 -34.315 16.606 1.00 74.44 ATOM 1652 N ASN 106 18.705 -34.972 17.142 1.00 63.42 ATOM 1653 HN ASN 106 18.152 -35.560 17.695 1.00 36.71 ATOM 1654 CA ASN 106 18.048 -34.041 16.219 1.00 11.44 ATOM 1655 HA ASN 106 18.816 -33.563 15.623 1.00 1.22 ATOM 1656 CB ASN 106 17.098 -34.801 15.281 1.00 72.52 ATOM 1657 HB1 ASN 106 16.627 -34.100 14.606 1.00 36.71 ATOM 1658 HB2 ASN 106 16.336 -35.291 15.870 1.00 71.24 ATOM 1659 CG ASN 106 17.815 -35.854 14.456 1.00 70.54 ATOM 1660 OD1 ASN 106 18.356 -35.568 13.392 1.00 62.33 ATOM 1661 ND2 ASN 106 17.808 -37.085 14.928 1.00 21.21 ATOM 1662 HD21 ASN 106 17.343 -37.256 15.774 1.00 4.24 ATOM 1663 HD22 ASN 106 18.267 -37.778 14.410 1.00 24.34 ATOM 1664 C ASN 106 17.278 -32.953 16.984 1.00 54.04 ATOM 1665 O ASN 106 16.127 -33.152 17.386 1.00 30.10 ATOM 1666 N PHE 107 17.922 -31.807 17.194 1.00 74.22 ATOM 1667 HN PHE 107 18.842 -31.708 16.864 1.00 36.71 ATOM 1668 CA PHE 107 17.293 -30.691 17.903 1.00 12.33 ATOM 1669 HA PHE 107 16.780 -31.097 18.765 1.00 23.54 ATOM 1670 CB PHE 107 18.357 -29.693 18.384 1.00 21.15 ATOM 1671 HB1 PHE 107 18.830 -29.239 17.523 1.00 36.71 ATOM 1672 HB2 PHE 107 19.104 -30.226 18.956 1.00 31.31 ATOM 1673 CG PHE 107 17.805 -28.589 19.257 1.00 65.22 ATOM 1674 CD1 PHE 107 17.500 -28.831 20.590 1.00 31.32 ATOM 1675 HD1 PHE 107 17.666 -29.818 21.003 1.00 43.41 ATOM 1676 CD2 PHE 107 17.587 -27.316 18.747 1.00 31.55 ATOM 1677 HD2 PHE 107 17.819 -27.113 17.711 1.00 31.45 ATOM 1678 CE1 PHE 107 16.991 -27.828 21.393 1.00 64.12 ATOM 1679 HE1 PHE 107 16.758 -28.030 22.428 1.00 72.41 ATOM 1680 CE2 PHE 107 17.079 -26.311 19.548 1.00 74.44 ATOM 1681 HE2 PHE 107 16.916 -25.325 19.139 1.00 44.02 ATOM 1682 CZ PHE 107 16.781 -26.568 20.870 1.00 41.54 ATOM 1683 HZ PHE 107 16.383 -25.783 21.496 1.00 64.32 ATOM 1684 C PHE 107 16.262 -29.981 17.013 1.00 25.24 ATOM 1685 O PHE 107 15.346 -29.331 17.510 1.00 32.04 ATOM 1686 N ASN 108 16.411 -30.118 15.696 1.00 34.40 ATOM 1687 HN ASN 108 17.170 -30.641 15.358 1.00 36.71 ATOM 1688 CA ASN 108 15.477 -29.510 14.738 1.00 20.13 ATOM 1689 HA ASN 108 15.528 -28.438 14.872 1.00 44.22 ATOM 1690 CB ASN 108 15.893 -29.848 13.296 1.00 55.13 ATOM 1691 HB1 ASN 108 16.881 -29.448 13.108 1.00 36.71 ATOM 1692 HB2 ASN 108 15.193 -29.395 12.608 1.00 33.34 ATOM 1693 CG ASN 108 15.926 -31.345 13.036 1.00 21.34 ATOM 1694 OD1 ASN 108 16.192 -32.135 13.932 1.00 72.13 ATOM 1695 ND2 ASN 108 15.641 -31.749 11.815 1.00 10.43 ATOM 1696 HD21 ASN 108 15.423 -31.074 11.140 1.00 31.33 ATOM 1697 HD22 ASN 108 15.661 -32.710 11.636 1.00 40.12 ATOM 1698 C ASN 108 14.027 -29.969 14.994 1.00 11.20 ATOM 1699 O ASN 108 13.099 -29.160 14.981 1.00 21.21 ATOM 1700 N LYS 109 13.842 -31.269 15.238 1.00 43.24 ATOM 1701 HN LYS 109 14.617 -31.872 15.214 1.00 36.71 ATOM 1702 CA LYS 109 12.512 -31.819 15.532 1.00 2.13 ATOM 1703 HA LYS 109 11.841 -31.491 14.749 1.00 61.23 ATOM 1704 CB LYS 109 12.548 -33.356 15.543 1.00 23.54 ATOM 1705 HB1 LYS 109 11.554 -33.725 15.757 1.00 36.71 ATOM 1706 HB2 LYS 109 13.216 -33.680 16.329 1.00 64.44 ATOM 1707 CG LYS 109 13.018 -33.981 14.230 1.00 42.23 ATOM 1708 HG1 LYS 109 14.077 -33.791 14.111 1.00 36.71 ATOM 1709 HG2 LYS 109 12.478 -33.523 13.413 1.00 72.54 ATOM 1710 CD LYS 109 12.777 -35.492 14.196 1.00 75.02 ATOM 1711 HD1 LYS 109 13.157 -35.883 13.262 1.00 36.71 ATOM 1712 HD2 LYS 109 11.714 -35.680 14.255 1.00 54.24 ATOM 1713 CE LYS 109 13.465 -36.217 15.349 1.00 35.14 ATOM 1714 HE1 LYS 109 13.101 -35.813 16.283 1.00 36.71 ATOM 1715 HE2 LYS 109 14.531 -36.052 15.279 1.00 24.53 ATOM 1716 NZ LYS 109 13.202 -37.682 15.323 1.00 12.33 ATOM 1717 HZ1 LYS 109 13.656 -38.145 16.136 1.00 15.54 ATOM 1718 HZ2 LYS 109 13.583 -38.101 14.450 1.00 53.43 ATOM 1719 HZ3 LYS 109 12.179 -37.866 15.361 1.00 51.32 ATOM 1720 C LYS 109 11.983 -31.302 16.879 1.00 64.55 ATOM 1721 O LYS 109 10.807 -30.959 17.005 1.00 35.22 ATOM 1722 N VAL 110 12.861 -31.252 17.881 1.00 55.21 ATOM 1723 HN VAL 110 13.777 -31.566 17.725 1.00 36.71 ATOM 1724 CA VAL 110 12.495 -30.739 19.206 1.00 14.32 ATOM 1725 HA VAL 110 11.664 -31.327 19.574 1.00 23.42 ATOM 1726 CB VAL 110 13.670 -30.870 20.210 1.00 52.01 ATOM 1727 HB VAL 110 14.475 -30.232 19.870 1.00 53.11 ATOM 1728 CG1 VAL 110 13.252 -30.400 21.605 1.00 51.12 ATOM 1729 HG11 VAL 110 14.093 -30.478 22.277 1.00 53.05 ATOM 1730 HG12 VAL 110 12.443 -31.017 21.969 1.00 70.55 ATOM 1731 HG13 VAL 110 12.925 -29.371 21.557 1.00 22.43 ATOM 1732 CG2 VAL 110 14.193 -32.307 20.249 1.00 73.24 ATOM 1733 HG21 VAL 110 13.409 -32.968 20.591 1.00 4.41 ATOM 1734 HG22 VAL 110 15.033 -32.367 20.926 1.00 31.44 ATOM 1735 HG23 VAL 110 14.509 -32.604 19.259 1.00 51.52 ATOM 1736 C VAL 110 12.067 -29.264 19.127 1.00 21.13 ATOM 1737 O VAL 110 10.987 -28.890 19.588 1.00 54.33 ATOM 1738 N LEU 111 12.925 -28.441 18.531 1.00 54.04 ATOM 1739 HN LEU 111 13.770 -28.801 18.201 1.00 36.71 ATOM 1740 CA LEU 111 12.648 -27.014 18.357 1.00 43.31 ATOM 1741 HA LEU 111 12.512 -26.581 19.338 1.00 21.44 ATOM 1742 CB LEU 111 13.836 -26.325 17.665 1.00 1.23 ATOM 1743 HB1 LEU 111 13.887 -26.685 16.647 1.00 36.71 ATOM 1744 HB2 LEU 111 14.743 -26.622 18.175 1.00 2.23 ATOM 1745 CG LEU 111 13.780 -24.787 17.628 1.00 54.20 ATOM 1746 HG LEU 111 12.867 -24.481 17.138 1.00 72.03 ATOM 1747 CD1 LEU 111 13.763 -24.210 19.042 1.00 12.31 ATOM 1748 HD11 LEU 111 14.659 -24.510 19.568 1.00 5.42 ATOM 1749 HD12 LEU 111 12.897 -24.578 19.572 1.00 73.35 ATOM 1750 HD13 LEU 111 13.720 -23.132 18.992 1.00 25.52 ATOM 1751 CD2 LEU 111 14.954 -24.222 16.827 1.00 71.33 ATOM 1752 HD21 LEU 111 14.917 -24.599 15.814 1.00 62.43 ATOM 1753 HD22 LEU 111 15.887 -24.520 17.286 1.00 32.24 ATOM 1754 HD23 LEU 111 14.892 -23.143 16.808 1.00 24.12 ATOM 1755 C LEU 111 11.366 -26.802 17.538 1.00 2.31 ATOM 1756 O LEU 111 10.538 -25.960 17.876 1.00 22.25 ATOM 1757 N SER 112 11.207 -27.582 16.466 1.00 15.04 ATOM 1758 HN SER 112 11.927 -28.205 16.221 1.00 36.71 ATOM 1759 CA SER 112 9.991 -27.527 15.639 1.00 35.42 ATOM 1760 HA SER 112 9.918 -26.529 15.230 1.00 24.21 ATOM 1761 CB SER 112 10.068 -28.537 14.484 1.00 54.30 ATOM 1762 HB1 SER 112 10.183 -29.534 14.886 1.00 36.71 ATOM 1763 HB2 SER 112 10.918 -28.303 13.860 1.00 13.00 ATOM 1764 OG SER 112 8.893 -28.501 13.684 1.00 53.44 ATOM 1765 HG SER 112 8.213 -29.053 14.085 1.00 22.34 ATOM 1766 C SER 112 8.738 -27.810 16.478 1.00 10.43 ATOM 1767 O SER 112 7.712 -27.147 16.324 1.00 70.13 ATOM 1768 N SER 113 8.830 -28.803 17.364 1.00 33.33 ATOM 1769 HN SER 113 9.656 -29.334 17.399 1.00 36.71 ATOM 1770 CA SER 113 7.728 -29.134 18.282 1.00 51.44 ATOM 1771 HA SER 113 6.854 -29.354 17.684 1.00 73.32 ATOM 1772 CB SER 113 8.080 -30.370 19.124 1.00 53.32 ATOM 1773 HB1 SER 113 9.010 -30.193 19.646 1.00 36.71 ATOM 1774 HB2 SER 113 8.193 -31.224 18.472 1.00 3.21 ATOM 1775 OG SER 113 7.068 -30.659 20.079 1.00 63.43 ATOM 1776 HG SER 113 7.474 -30.912 20.912 1.00 3.41 ATOM 1777 C SER 113 7.404 -27.954 19.207 1.00 61.43 ATOM 1778 O SER 113 6.241 -27.610 19.407 1.00 35.42 ATOM 1779 N LEU 114 8.445 -27.329 19.756 1.00 64.43 ATOM 1780 HN LEU 114 9.350 -27.660 19.570 1.00 36.71 ATOM 1781 CA LEU 114 8.279 -26.164 20.635 1.00 53.22 ATOM 1782 HA LEU 114 7.622 -26.453 21.445 1.00 60.11 ATOM 1783 CB LEU 114 9.636 -25.747 21.220 1.00 32.30 ATOM 1784 HB1 LEU 114 9.481 -24.886 21.855 1.00 36.71 ATOM 1785 HB2 LEU 114 10.281 -25.458 20.402 1.00 42.00 ATOM 1786 CG LEU 114 10.357 -26.829 22.044 1.00 30.41 ATOM 1787 HG LEU 114 10.510 -27.699 21.421 1.00 0.24 ATOM 1788 CD1 LEU 114 11.728 -26.340 22.500 1.00 34.33 ATOM 1789 HD11 LEU 114 12.340 -26.127 21.635 1.00 34.42 ATOM 1790 HD12 LEU 114 12.204 -27.106 23.095 1.00 62.52 ATOM 1791 HD13 LEU 114 11.617 -25.442 23.091 1.00 12.14 ATOM 1792 CD2 LEU 114 9.507 -27.255 23.241 1.00 63.21 ATOM 1793 HD21 LEU 114 8.553 -27.623 22.892 1.00 40.53 ATOM 1794 HD22 LEU 114 9.349 -26.409 23.895 1.00 54.13 ATOM 1795 HD23 LEU 114 10.018 -28.038 23.784 1.00 54.54 ATOM 1796 C LEU 114 7.647 -24.980 19.882 1.00 42.21 ATOM 1797 O LEU 114 6.688 -24.366 20.356 1.00 40.32 ATOM 1798 N VAL 115 8.189 -24.669 18.705 1.00 61.51 ATOM 1799 HN VAL 115 8.964 -25.176 18.392 1.00 36.71 ATOM 1800 CA VAL 115 7.659 -23.589 17.867 1.00 12.44 ATOM 1801 HA VAL 115 7.695 -22.677 18.449 1.00 32.42 ATOM 1802 CB VAL 115 8.517 -23.382 16.589 1.00 43.32 ATOM 1803 HB VAL 115 8.529 -24.312 16.035 1.00 53.33 ATOM 1804 CG1 VAL 115 7.917 -22.301 15.689 1.00 22.35 ATOM 1805 HG11 VAL 115 8.539 -22.172 14.814 1.00 14.04 ATOM 1806 HG12 VAL 115 7.863 -21.368 16.231 1.00 64.55 ATOM 1807 HG13 VAL 115 6.924 -22.596 15.382 1.00 35.43 ATOM 1808 CG2 VAL 115 9.960 -23.032 16.960 1.00 60.15 ATOM 1809 HG21 VAL 115 10.387 -23.835 17.543 1.00 21.22 ATOM 1810 HG22 VAL 115 9.975 -22.120 17.540 1.00 73.31 ATOM 1811 HG23 VAL 115 10.542 -22.895 16.060 1.00 5.41 ATOM 1812 C VAL 115 6.201 -23.862 17.472 1.00 23.35 ATOM 1813 O VAL 115 5.359 -22.969 17.527 1.00 31.41 ATOM 1814 N THR 116 5.903 -25.103 17.089 1.00 53.15 ATOM 1815 HN THR 116 6.620 -25.769 17.029 1.00 36.71 ATOM 1816 CA THR 116 4.527 -25.494 16.750 1.00 53.12 ATOM 1817 HA THR 116 4.170 -24.815 15.986 1.00 41.53 ATOM 1818 CB THR 116 4.450 -26.936 16.191 1.00 33.24 ATOM 1819 HB THR 116 4.849 -27.616 16.932 1.00 25.54 ATOM 1820 OG1 THR 116 5.236 -27.041 14.995 1.00 52.14 ATOM 1821 HG1 THR 116 6.142 -27.266 15.227 1.00 1.32 ATOM 1822 CG2 THR 116 3.005 -27.334 15.888 1.00 1.42 ATOM 1823 HG21 THR 116 2.417 -27.287 16.796 1.00 41.41 ATOM 1824 HG22 THR 116 2.981 -28.342 15.498 1.00 13.40 ATOM 1825 HG23 THR 116 2.588 -26.657 15.157 1.00 34.21 ATOM 1826 C THR 116 3.608 -25.384 17.971 1.00 32.35 ATOM 1827 O THR 116 2.487 -24.891 17.870 1.00 65.40 ATOM 1828 N LEU 117 4.099 -25.837 19.123 1.00 0.10 ATOM 1829 HN LEU 117 4.986 -26.258 19.127 1.00 36.71 ATOM 1830 CA LEU 117 3.360 -25.728 20.388 1.00 4.42 ATOM 1831 HA LEU 117 2.447 -26.298 20.286 1.00 21.31 ATOM 1832 CB LEU 117 4.199 -26.319 21.533 1.00 72.53 ATOM 1833 HB1 LEU 117 5.109 -25.741 21.615 1.00 36.71 ATOM 1834 HB2 LEU 117 4.465 -27.332 21.264 1.00 2.12 ATOM 1835 CG LEU 117 3.521 -26.347 22.915 1.00 1.43 ATOM 1836 HG LEU 117 3.271 -25.335 23.203 1.00 54.34 ATOM 1837 CD1 LEU 117 2.226 -27.150 22.871 1.00 3.51 ATOM 1838 HD11 LEU 117 2.435 -28.160 22.549 1.00 62.14 ATOM 1839 HD12 LEU 117 1.538 -26.687 22.179 1.00 40.31 ATOM 1840 HD13 LEU 117 1.782 -27.171 23.856 1.00 15.00 ATOM 1841 CD2 LEU 117 4.466 -26.917 23.972 1.00 33.41 ATOM 1842 HD21 LEU 117 4.727 -27.933 23.716 1.00 52.21 ATOM 1843 HD22 LEU 117 3.979 -26.903 24.937 1.00 73.41 ATOM 1844 HD23 LEU 117 5.363 -26.316 24.016 1.00 33.31 ATOM 1845 C LEU 117 3.001 -24.262 20.680 1.00 14.34 ATOM 1846 O LEU 117 1.916 -23.957 21.183 1.00 72.43 ATOM 1847 N ASN 118 3.919 -23.360 20.346 1.00 75.10 ATOM 1848 HN ASN 118 4.798 -23.670 20.036 1.00 36.71 ATOM 1849 CA ASN 118 3.664 -21.920 20.441 1.00 11.50 ATOM 1850 HA ASN 118 3.240 -21.725 21.419 1.00 54.44 ATOM 1851 CB ASN 118 4.980 -21.141 20.308 1.00 62.34 ATOM 1852 HB1 ASN 118 5.485 -21.448 19.402 1.00 36.71 ATOM 1853 HB2 ASN 118 5.611 -21.363 21.158 1.00 52.44 ATOM 1854 CG ASN 118 4.764 -19.638 20.253 1.00 40.50 ATOM 1855 OD1 ASN 118 4.656 -19.053 19.182 1.00 43.51 ATOM 1856 ND2 ASN 118 4.678 -19.004 21.401 1.00 1.34 ATOM 1857 HD21 ASN 118 4.756 -19.526 22.225 1.00 45.10 ATOM 1858 HD22 ASN 118 4.536 -18.036 21.382 1.00 24.41 ATOM 1859 C ASN 118 2.662 -21.459 19.367 1.00 2.30 ATOM 1860 O ASN 118 1.719 -20.728 19.662 1.00 11.31 ATOM 1861 N LYS 119 2.869 -21.899 18.126 1.00 12.42 ATOM 1862 HN LYS 119 3.618 -22.508 17.961 1.00 36.71 ATOM 1863 CA LYS 119 2.012 -21.502 17.000 1.00 21.02 ATOM 1864 HA LYS 119 2.063 -20.425 16.920 1.00 12.34 ATOM 1865 CB LYS 119 2.531 -22.115 15.689 1.00 14.15 ATOM 1866 HB1 LYS 119 1.803 -21.936 14.909 1.00 36.71 ATOM 1867 HB2 LYS 119 2.645 -23.182 15.823 1.00 53.34 ATOM 1868 CG LYS 119 3.872 -21.546 15.229 1.00 72.00 ATOM 1869 HG1 LYS 119 4.593 -21.666 16.026 1.00 36.71 ATOM 1870 HG2 LYS 119 3.751 -20.494 15.014 1.00 1.34 ATOM 1871 CD LYS 119 4.398 -22.249 13.978 1.00 32.01 ATOM 1872 HD1 LYS 119 4.540 -23.298 14.201 1.00 36.71 ATOM 1873 HD2 LYS 119 5.348 -21.810 13.708 1.00 4.31 ATOM 1874 CE LYS 119 3.445 -22.118 12.795 1.00 55.02 ATOM 1875 HE1 LYS 119 2.488 -22.541 13.065 1.00 36.71 ATOM 1876 HE2 LYS 119 3.854 -22.667 11.959 1.00 34.03 ATOM 1877 NZ LYS 119 3.249 -20.703 12.383 1.00 21.02 ATOM 1878 HZ1 LYS 119 4.149 -20.297 12.055 1.00 10.35 ATOM 1879 HZ2 LYS 119 2.903 -20.139 13.183 1.00 53.23 ATOM 1880 HZ3 LYS 119 2.556 -20.650 11.610 1.00 51.31 ATOM 1881 C LYS 119 0.544 -21.904 17.217 1.00 30.14 ATOM 1882 O LYS 119 -0.359 -21.091 17.027 1.00 21.33 ATOM 1883 N VAL 120 0.313 -23.154 17.614 1.00 13.21 ATOM 1884 HN VAL 120 1.072 -23.747 17.782 1.00 36.71 ATOM 1885 CA VAL 120 -1.051 -23.665 17.803 1.00 62.02 ATOM 1886 HA VAL 120 -1.596 -23.464 16.889 1.00 64.03 ATOM 1887 CB VAL 120 -1.065 -25.203 18.030 1.00 74.20 ATOM 1888 HB VAL 120 -2.089 -25.509 18.206 1.00 12.01 ATOM 1889 CG1 VAL 120 -0.564 -25.934 16.786 1.00 44.24 ATOM 1890 HG11 VAL 120 0.450 -25.628 16.569 1.00 24.34 ATOM 1891 HG12 VAL 120 -1.199 -25.694 15.946 1.00 23.10 ATOM 1892 HG13 VAL 120 -0.587 -27.002 16.959 1.00 53.24 ATOM 1893 CG2 VAL 120 -0.234 -25.595 19.252 1.00 1.20 ATOM 1894 HG21 VAL 120 -0.656 -25.142 20.138 1.00 71.25 ATOM 1895 HG22 VAL 120 0.782 -25.250 19.123 1.00 34.13 ATOM 1896 HG23 VAL 120 -0.236 -26.671 19.362 1.00 41.31 ATOM 1897 C VAL 120 -1.784 -22.958 18.959 1.00 23.51 ATOM 1898 O VAL 120 -2.937 -22.555 18.814 1.00 63.13 ATOM 1899 N THR 121 -1.112 -22.792 20.097 1.00 62.33 ATOM 1900 HN THR 121 -0.191 -23.126 20.162 1.00 36.71 ATOM 1901 CA THR 121 -1.716 -22.111 21.252 1.00 33.15 ATOM 1902 HA THR 121 -2.675 -22.577 21.441 1.00 74.33 ATOM 1903 CB THR 121 -0.851 -22.261 22.527 1.00 52.43 ATOM 1904 HB THR 121 -1.299 -21.673 23.319 1.00 14.32 ATOM 1905 OG1 THR 121 0.480 -21.773 22.284 1.00 74.23 ATOM 1906 HG1 THR 121 1.093 -22.520 22.235 1.00 13.43 ATOM 1907 CG2 THR 121 -0.796 -23.719 22.975 1.00 15.42 ATOM 1908 HG21 THR 121 -1.800 -24.080 23.148 1.00 72.54 ATOM 1909 HG22 THR 121 -0.225 -23.795 23.887 1.00 45.13 ATOM 1910 HG23 THR 121 -0.327 -24.316 22.206 1.00 60.32 ATOM 1911 C THR 121 -1.947 -20.621 20.966 1.00 73.12 ATOM 1912 O THR 121 -3.005 -20.071 21.283 1.00 72.11 ATOM 1913 N ALA 122 -0.957 -19.974 20.354 1.00 4.43 ATOM 1914 HN ALA 122 -0.113 -20.446 20.182 1.00 36.71 ATOM 1915 CA ALA 122 -1.088 -18.572 19.942 1.00 35.45 ATOM 1916 HA ALA 122 -1.372 -17.997 20.813 1.00 12.43 ATOM 1917 CB ALA 122 0.248 -18.039 19.439 1.00 34.32 ATOM 1918 HB1 ALA 122 0.151 -16.992 19.192 1.00 54.41 ATOM 1919 HB2 ALA 122 0.549 -18.590 18.559 1.00 64.32 ATOM 1920 HB3 ALA 122 0.996 -18.157 20.209 1.00 53.14 ATOM 1921 C ALA 122 -2.168 -18.404 18.863 1.00 4.35 ATOM 1922 O ALA 122 -2.775 -17.341 18.737 1.00 22.51 ATOM 1923 N ASP 123 -2.396 -19.456 18.078 1.00 74.20 ATOM 1924 HN ASP 123 -1.828 -20.252 18.170 1.00 36.71 ATOM 1925 CA ASP 123 -3.453 -19.454 17.061 1.00 4.00 ATOM 1926 HA ASP 123 -3.374 -18.531 16.503 1.00 35.43 ATOM 1927 CB ASP 123 -3.247 -20.634 16.103 1.00 72.31 ATOM 1928 HB1 ASP 123 -3.410 -21.559 16.642 1.00 36.71 ATOM 1929 HB2 ASP 123 -2.230 -20.616 15.738 1.00 11.31 ATOM 1930 CG ASP 123 -4.181 -20.598 14.908 1.00 12.22 ATOM 1931 OD1 ASP 123 -4.866 -21.609 14.647 1.00 62.35 ATOM 1932 OD2 ASP 123 -4.223 -19.565 14.213 1.00 33.12 ATOM 1933 C ASP 123 -4.845 -19.519 17.720 1.00 21.14 ATOM 1934 O ASP 123 -5.783 -18.848 17.285 1.00 31.45 ATOM 1935 N ILE 124 -4.963 -20.327 18.778 1.00 24.53 ATOM 1936 HN ILE 124 -4.204 -20.898 19.025 1.00 36.71 ATOM 1937 CA ILE 124 -6.197 -20.399 19.573 1.00 71.40 ATOM 1938 HA ILE 124 -7.013 -20.642 18.906 1.00 74.30 ATOM 1939 CB ILE 124 -6.102 -21.506 20.656 1.00 3.35 ATOM 1940 HB ILE 124 -5.267 -21.265 21.305 1.00 54.32 ATOM 1941 CG1 ILE 124 -5.851 -22.879 20.007 1.00 30.45 ATOM 1942 HG11 ILE 124 -4.943 -22.830 19.423 1.00 36.71 ATOM 1943 HG12 ILE 124 -6.677 -23.122 19.354 1.00 71.23 ATOM 1944 CG2 ILE 124 -7.370 -21.538 21.514 1.00 75.23 ATOM 1945 HG21 ILE 124 -7.283 -22.315 22.259 1.00 43.14 ATOM 1946 HG22 ILE 124 -8.228 -21.736 20.886 1.00 23.15 ATOM 1947 HG23 ILE 124 -7.498 -20.584 22.004 1.00 32.13 ATOM 1948 CD1 ILE 124 -5.699 -24.011 21.002 1.00 51.21 ATOM 1949 HD11 ILE 124 -5.529 -24.936 20.470 1.00 30.11 ATOM 1950 HD12 ILE 124 -6.599 -24.097 21.594 1.00 54.13 ATOM 1951 HD13 ILE 124 -4.858 -23.810 21.651 1.00 24.44 ATOM 1952 C ILE 124 -6.495 -19.055 20.260 1.00 71.33 ATOM 1953 O ILE 124 -7.652 -18.637 20.381 1.00 23.55 ATOM 1954 N GLY 125 -5.438 -18.385 20.710 1.00 51.11 ATOM 1955 HN GLY 125 -4.545 -18.777 20.603 1.00 36.71 ATOM 1956 CA GLY 125 -5.587 -17.090 21.361 1.00 20.31 ATOM 1957 HA1 GLY 125 -6.597 -16.732 21.211 1.00 36.71 ATOM 1958 HA2 GLY 125 -4.904 -16.394 20.899 1.00 43.51 ATOM 1959 C GLY 125 -5.302 -17.141 22.858 1.00 63.10 ATOM 1960 O GLY 125 -6.172 -17.516 23.649 1.00 61.33 ATOM 1961 N LEU 126 -4.084 -16.775 23.248 1.00 42.22 ATOM 1962 HN LEU 126 -3.422 -16.530 22.569 1.00 36.71 ATOM 1963 HA LEU 126 -4.362 -17.400 25.210 1.00 2.44 ATOM 1964 CB LEU 126 -2.254 -17.230 24.842 1.00 52.20 ATOM 1965 HB1 LEU 126 -2.007 -17.193 25.894 1.00 36.71 ATOM 1966 HB2 LEU 126 -1.599 -16.548 24.314 1.00 72.30 ATOM 1967 CG LEU 126 -1.979 -18.654 24.333 1.00 22.43 ATOM 1968 HG LEU 126 -2.182 -18.694 23.272 1.00 20.43 ATOM 1969 CD1 LEU 126 -0.511 -19.025 24.538 1.00 2.41 ATOM 1970 HD11 LEU 126 -0.271 -18.990 25.592 1.00 43.31 ATOM 1971 HD12 LEU 126 0.115 -18.325 24.004 1.00 54.33 ATOM 1972 HD13 LEU 126 -0.334 -20.023 24.162 1.00 42.12 ATOM 1973 CD2 LEU 126 -2.894 -19.664 25.026 1.00 73.10 ATOM 1974 HD21 LEU 126 -2.680 -19.679 26.086 1.00 11.41 ATOM 1975 HD22 LEU 126 -2.726 -20.647 24.611 1.00 11.41 ATOM 1976 HD23 LEU 126 -3.925 -19.381 24.872 1.00 63.33 ATOM 1977 CA LEU 126 -3.701 -16.733 24.670 1.00 15.44 ATOM 1978 C LEU 126 -3.855 -15.311 25.254 1.00 0.12 ATOM 1979 OT1 LEU 126 -4.988 -14.927 25.612 1.00 36.71 ATOM 1980 OT2 LEU 126 -2.842 -14.581 25.356 1.00 36.71 ATOM 1981 OH2 TIP3 1 -1.875 -34.363 1.686 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -2.605 -34.824 2.115 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -1.973 -34.597 0.730 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -2.691 -42.771 13.582 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -2.839 -43.192 14.437 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -3.503 -42.988 13.064 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -4.377 -40.588 14.090 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -3.690 -41.231 13.835 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -4.038 -39.728 13.750 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -7.504 -48.644 12.060 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -6.741 -49.173 11.809 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -7.635 -48.841 12.992 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -5.183 -43.231 12.580 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -5.857 -42.608 12.909 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -5.671 -43.796 11.959 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -9.349 -43.405 15.002 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -9.664 -44.315 15.011 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.094 -43.231 15.945 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -10.874 -39.694 16.582 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -10.390 -40.208 17.250 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -10.935 -40.301 15.807 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 0.074 -42.760 13.302 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -0.891 -42.577 13.326 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 0.136 -43.650 12.946 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -8.834 -43.104 17.619 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -9.218 -42.513 18.301 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.961 -43.358 17.985 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -10.903 -41.286 14.333 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -11.420 -41.657 13.613 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -10.257 -41.992 14.555 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -7.802 -42.355 12.977 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -7.780 -43.035 12.270 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -8.307 -42.779 13.702 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -10.487 -37.914 12.535 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -10.162 -37.726 13.446 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -10.650 -38.866 12.536 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.391 -44.236 10.976 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -7.831 -45.117 10.908 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -7.247 -43.976 10.061 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 0.910 -38.312 13.325 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 0.293 -37.787 12.755 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 1.569 -38.663 12.695 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -12.823 -37.834 17.211 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -12.181 -38.548 17.004 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -13.557 -38.289 17.630 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -4.726 -42.798 16.501 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -4.025 -42.211 16.859 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -5.050 -42.329 15.721 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -8.533 -46.669 10.502 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -8.158 -47.357 11.097 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -9.119 -47.158 9.917 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 4.614 -37.985 13.272 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 4.298 -37.359 13.968 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 3.797 -38.336 12.877 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 2.149 -39.210 15.571 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 1.641 -38.832 16.301 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 1.701 -38.867 14.764 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -0.072 -45.280 18.077 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -0.976 -45.603 18.026 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -0.153 -44.315 17.892 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -2.859 -40.928 17.294 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -3.027 -40.210 16.661 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -2.829 -40.479 18.162 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -9.860 -37.510 15.163 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -10.374 -36.792 15.588 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -10.111 -38.313 15.670 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -12.379 -35.752 12.762 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -11.897 -36.590 12.662 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -11.918 -35.137 12.156 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -7.011 -39.830 13.635 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -7.502 -40.617 13.324 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -6.106 -40.167 13.801 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -9.352 -36.306 10.614 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -9.304 -36.885 9.847 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -9.714 -36.881 11.327 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -0.585 -37.220 15.408 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -0.215 -37.746 14.670 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 0.114 -36.557 15.601 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -5.210 -43.931 25.167 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -5.023 -43.019 25.425 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -4.329 -44.322 25.006 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -4.875 -40.620 24.412 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.801 -40.431 24.145 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -4.638 -39.878 24.975 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -6.974 -45.192 20.767 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -7.273 -46.058 20.483 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -6.765 -44.721 19.932 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -0.253 -42.408 32.243 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 0.007 -43.289 32.594 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -0.995 -42.129 32.821 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 0.664 -44.760 33.106 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 0.317 -45.461 32.507 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 0.434 -45.079 34.008 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 1.474 -45.172 21.897 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 1.665 -45.593 21.038 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 1.015 -44.349 21.660 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -2.908 -40.552 31.120 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -2.664 -40.822 32.029 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -2.808 -39.574 31.126 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -5.866 -43.427 22.519 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -6.278 -44.176 22.028 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -5.888 -43.714 23.457 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -0.529 -42.632 17.733 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 0.041 -42.278 17.008 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -1.341 -42.088 17.684 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -2.642 -37.781 31.132 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -3.549 -37.501 30.918 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -2.155 -36.937 31.249 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -7.477 -39.760 24.008 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -7.694 -38.826 23.777 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -7.721 -39.836 24.959 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -3.873 -44.045 29.222 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -4.527 -44.592 28.770 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -4.414 -43.383 29.717 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -6.602 -41.226 32.666 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -7.294 -41.181 33.368 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -6.633 -40.342 32.245 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 2.344 -41.665 33.017 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 2.796 -41.113 32.330 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 1.466 -41.866 32.619 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -2.425 -41.890 28.292 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -2.429 -41.267 29.036 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.048 -42.589 28.565 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -6.226 -38.686 31.601 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -5.711 -38.672 32.440 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -5.986 -37.844 31.168 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -5.156 -41.971 30.434 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -4.382 -41.411 30.675 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -5.734 -41.933 31.228 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -6.313 -43.632 18.601 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -6.119 -42.886 19.212 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -5.724 -43.467 17.829 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 0.912 -42.631 20.248 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 0.585 -41.751 20.531 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 0.414 -42.810 19.427 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -9.916 -41.326 19.421 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -10.670 -41.479 20.000 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -9.243 -40.920 20.008 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.985 -41.660 20.486 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -6.755 -41.089 20.688 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -5.929 -42.268 21.261 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -8.178 -40.162 21.294 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -8.005 -40.212 22.260 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -8.187 -39.210 21.106 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -1.414 -43.868 26.687 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -1.677 -43.009 27.083 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -1.309 -44.458 27.452 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -5.314 -38.156 19.161 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -5.956 -37.658 19.707 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -5.865 -38.657 18.551 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -3.084 -38.072 16.276 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -2.930 -38.219 17.233 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -2.203 -37.811 15.930 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -3.203 -41.237 20.522 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -4.169 -41.256 20.382 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -3.082 -41.660 21.397 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -4.863 -41.136 34.809 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -5.462 -41.387 34.075 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.962 -41.345 34.466 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -4.336 -44.292 37.137 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -3.446 -44.512 37.467 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -4.221 -44.253 36.162 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.282 -43.960 34.582 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -2.848 -43.121 34.321 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -2.651 -44.640 34.330 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -8.058 -37.338 22.944 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -7.744 -37.189 22.034 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -8.667 -36.589 23.111 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -0.546 -41.071 40.035 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -1.345 -41.572 39.771 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 0.006 -41.064 39.221 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -3.383 -42.386 22.998 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -3.715 -41.648 23.559 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -4.198 -42.858 22.725 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -2.618 -44.616 24.379 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -2.086 -44.291 25.144 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -2.651 -43.849 23.767 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -1.009 -44.533 29.450 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -0.775 -45.259 30.060 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -1.977 -44.433 29.557 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -2.665 -38.546 18.920 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.316 -37.687 19.240 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -3.625 -38.514 19.155 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 0.930 -47.204 28.975 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 1.881 -47.457 28.996 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 0.762 -46.994 28.037 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 1.795 -42.957 35.323 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 2.025 -42.568 34.454 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 0.819 -42.861 35.370 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -0.100 -45.780 35.536 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -0.709 -45.246 36.081 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 0.507 -46.192 36.194 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -4.527 -38.623 33.727 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -4.680 -39.408 34.288 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -3.576 -38.620 33.579 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -6.903 -39.990 29.224 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -6.839 -39.448 30.035 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.314 -40.744 29.397 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 0.375 -37.668 30.935 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -0.375 -38.031 30.452 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 1.036 -38.410 30.953 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -7.686 -34.304 20.997 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -6.714 -34.383 21.060 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -7.831 -33.772 20.177 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -3.881 -41.862 41.525 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -4.796 -41.769 41.180 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -3.536 -40.943 41.548 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -2.510 -43.832 42.822 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -2.994 -43.115 42.354 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -2.914 -43.861 43.690 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -6.515 -38.634 41.836 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -5.828 -38.467 41.150 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -7.166 -39.202 41.387 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 1.800 -41.896 41.270 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 1.590 -42.819 41.438 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 0.969 -41.523 40.907 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -5.719 -36.982 43.810 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -6.021 -37.644 43.142 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -6.525 -36.712 44.254 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -3.174 -36.597 42.843 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -4.077 -36.663 43.226 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.682 -37.324 43.265 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -1.525 -43.918 37.213 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -1.365 -43.300 36.461 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.894 -43.341 37.920 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -4.977 -44.433 39.863 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -5.515 -43.644 40.057 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.980 -44.494 38.891 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.419 -39.554 41.354 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -2.046 -39.173 42.177 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.641 -39.948 40.900 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -2.842 -42.260 38.961 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -3.216 -42.392 39.857 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -3.578 -41.878 38.451 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -2.459 -45.378 40.562 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -2.348 -44.947 41.435 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -3.380 -45.162 40.308 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -8.236 -40.804 34.815 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -8.912 -41.325 35.253 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -7.875 -40.234 35.526 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -6.191 -41.874 40.034 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -6.998 -41.352 40.237 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -6.001 -41.669 39.097 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -8.385 -40.305 40.610 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -8.838 -39.739 39.940 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -9.095 -40.595 41.192 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -4.422 -38.146 40.155 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -4.074 -37.249 40.095 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -3.679 -38.666 40.532 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -5.266 -41.717 37.418 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -5.175 -41.387 36.492 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -5.095 -42.682 37.342 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 0.564 -41.596 37.650 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 1.251 -42.246 37.459 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -0.013 -41.621 36.861 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -9.463 -38.744 38.698 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -9.006 -39.202 37.972 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -8.989 -37.893 38.772 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -0.154 -45.438 39.110 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -0.560 -44.862 38.437 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -0.876 -45.586 39.760 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -1.284 -38.500 43.651 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -0.941 -38.944 44.431 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -0.560 -37.882 43.388 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.305 -39.452 37.100 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -7.149 -38.530 37.398 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -6.516 -39.933 37.394 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -1.347 -35.656 41.024 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -1.858 -34.954 40.561 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -1.987 -36.015 41.682 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -5.292 -22.936 -12.213 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -6.242 -22.972 -12.091 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -4.929 -22.993 -11.309 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -4.616 -28.966 -5.949 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -4.740 -29.869 -5.584 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -4.088 -29.111 -6.770 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -3.762 -23.029 -9.814 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -3.726 -23.908 -9.385 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -3.412 -22.420 -9.138 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -0.512 -35.257 -5.167 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -0.112 -35.269 -6.064 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -0.139 -36.053 -4.728 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -2.122 -33.000 -5.409 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -1.344 -32.447 -5.576 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -1.763 -33.908 -5.364 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -2.335 -29.819 -10.934 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -2.265 -29.745 -11.906 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -1.619 -30.435 -10.693 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -2.522 -21.508 -7.771 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -2.973 -20.939 -7.134 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -2.159 -20.873 -8.444 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -0.757 -34.017 -2.722 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -0.694 -33.049 -2.871 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -0.701 -34.402 -3.624 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -0.803 -20.683 -11.987 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -0.098 -20.807 -12.656 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -1.502 -21.323 -12.257 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -2.582 -22.704 -12.322 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -3.455 -22.731 -12.766 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -2.798 -22.822 -11.374 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -2.629 -23.908 -6.330 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -2.490 -23.055 -6.792 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -3.050 -24.480 -7.014 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -3.344 -27.317 -10.221 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -3.038 -26.618 -10.853 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -3.025 -28.154 -10.619 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -2.752 -30.215 -3.161 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -2.808 -29.282 -3.450 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -3.436 -30.669 -3.687 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -6.190 -24.149 -5.712 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -7.083 -24.053 -6.057 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -5.903 -25.031 -6.031 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 2.735 -22.617 -0.761 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 2.424 -22.258 0.102 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 2.113 -23.340 -0.957 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -0.974 -31.913 2.385 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -1.329 -32.801 2.135 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -1.760 -31.394 2.594 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -0.351 -31.286 -2.691 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -1.235 -30.860 -2.843 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -0.150 -31.083 -1.765 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -3.121 -29.102 -8.191 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -3.331 -28.392 -8.835 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -2.931 -29.875 -8.747 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -4.437 -31.587 -5.008 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -3.601 -32.092 -5.166 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -5.122 -32.265 -5.003 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -4.849 -22.138 -4.446 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -5.304 -22.835 -4.974 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -5.567 -21.668 -4.009 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -0.272 -25.593 -6.821 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.119 -25.402 -6.389 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -0.132 -24.822 -7.417 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -3.713 -25.382 -8.317 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -4.477 -25.800 -7.868 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -3.490 -26.011 -9.041 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -5.680 -26.626 -6.859 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -5.288 -27.407 -6.398 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -6.406 -26.999 -7.372 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -2.161 -22.130 -4.194 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -3.143 -22.050 -4.203 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -1.977 -22.805 -4.872 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 0.700 -31.820 -5.170 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 0.316 -31.537 -4.312 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 1.567 -32.203 -4.926 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -0.483 -28.135 -8.019 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -0.407 -27.241 -7.619 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -1.426 -28.366 -7.909 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -1.621 -19.738 -9.569 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -1.343 -20.056 -10.459 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -1.453 -18.792 -9.595 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -3.507 -25.070 -3.992 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -3.256 -24.623 -4.829 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -4.346 -24.657 -3.745 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -2.816 -27.711 -4.286 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -3.470 -28.083 -4.913 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -3.144 -26.804 -4.108 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 3.065 -22.975 -3.579 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 2.120 -22.685 -3.613 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 3.298 -22.896 -2.633 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 1.334 -25.030 -1.865 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 1.438 -25.524 -1.024 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 0.368 -24.859 -1.923 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -1.379 -25.019 -2.200 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -2.161 -24.986 -2.790 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -1.736 -24.767 -1.317 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -2.311 -25.444 -11.842 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -1.585 -25.943 -12.267 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -2.249 -24.551 -12.230 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 0.689 -28.460 -10.519 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 0.205 -27.895 -11.159 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 0.280 -28.246 -9.652 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 0.525 -22.056 -3.454 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -0.405 -22.151 -3.738 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 0.528 -21.251 -2.926 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -1.798 -29.733 -13.674 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -1.112 -30.193 -14.178 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -2.584 -29.797 -14.231 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -0.215 -26.970 -3.715 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -0.979 -27.496 -4.023 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -0.595 -26.380 -3.034 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 0.114 -31.116 -10.389 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 0.368 -30.167 -10.447 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 0.080 -31.293 -9.418 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 0.058 -31.020 -7.707 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -0.081 -30.063 -7.609 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 0.288 -31.325 -6.801 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 1.072 -34.042 -0.691 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 0.329 -34.033 -1.334 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 1.706 -34.689 -1.074 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -2.383 -35.157 -0.876 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -1.871 -34.682 -1.569 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -2.781 -35.896 -1.344 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -2.341 -20.599 -1.878 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -2.569 -19.768 -2.306 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -2.236 -21.231 -2.619 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 1.400 -27.805 9.157 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 1.802 -28.385 9.840 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 0.628 -27.405 9.613 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -4.031 -21.804 7.728 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -3.425 -22.530 7.968 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -4.922 -22.162 7.918 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -7.785 -25.384 12.667 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -8.653 -25.141 13.024 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -7.507 -26.150 13.217 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 1.471 -35.401 15.457 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 1.779 -34.711 16.089 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 1.295 -34.903 14.632 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -2.102 -33.103 13.084 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -1.324 -33.158 12.512 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -2.110 -32.170 13.391 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -11.619 -32.292 9.287 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -11.407 -31.928 8.422 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -12.561 -32.124 9.392 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 1.078 -36.126 9.583 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 0.985 -35.193 9.865 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 2.036 -36.268 9.544 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.457 -24.899 11.773 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -13.395 -24.709 11.672 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -12.044 -24.469 11.017 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -2.364 -23.592 14.495 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -2.751 -23.034 13.796 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -2.887 -23.380 15.279 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -2.630 -35.740 14.211 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -2.321 -34.871 13.885 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -1.839 -36.136 14.629 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -6.875 -35.208 11.207 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -7.785 -35.511 11.021 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -6.996 -34.412 11.764 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -1.825 -23.369 8.275 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -1.552 -24.282 8.028 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -1.420 -22.812 7.601 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -0.799 -25.887 7.764 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -0.876 -26.140 8.709 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -0.769 -26.741 7.294 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 1.078 -30.697 13.386 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 0.289 -30.161 13.544 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 1.540 -30.234 12.654 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -0.069 -28.571 6.963 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 0.532 -28.413 7.719 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -0.801 -29.098 7.354 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -4.607 -30.397 15.743 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -3.963 -30.666 16.433 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -5.337 -30.003 16.243 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -6.475 -22.792 8.570 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.123 -23.152 7.956 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -6.375 -23.499 9.257 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -6.321 -24.700 10.456 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -5.467 -24.898 10.887 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -6.990 -24.969 11.122 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -11.479 -26.100 14.049 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -10.823 -25.425 14.323 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -11.836 -25.757 13.202 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -9.619 -23.870 17.739 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -9.844 -22.991 18.102 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -9.730 -23.770 16.783 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -2.327 -24.228 0.230 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -2.429 -24.681 1.072 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -2.277 -23.283 0.470 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -10.827 -34.049 11.232 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -10.280 -34.730 10.788 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -11.015 -33.390 10.524 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 1.440 -26.561 0.494 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 1.477 -26.468 1.474 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 0.748 -27.216 0.349 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -9.017 -34.123 16.339 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -9.189 -33.808 15.425 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -9.840 -34.589 16.588 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -7.162 -27.449 14.369 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -7.625 -27.306 15.222 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -7.313 -28.392 14.174 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -4.686 -33.820 13.722 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -3.867 -33.432 13.357 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -4.422 -34.714 13.987 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -7.187 -33.116 13.014 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -6.296 -33.414 13.319 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -7.164 -32.141 13.140 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -0.923 -26.935 10.421 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -0.941 -26.418 11.250 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -1.525 -27.686 10.597 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -3.671 -22.392 12.324 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -3.812 -21.719 11.619 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -4.174 -22.032 13.101 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -11.529 -27.422 16.406 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -11.532 -27.133 15.461 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -12.169 -26.840 16.832 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 0.916 -29.346 4.445 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 0.948 -30.323 4.518 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 0.519 -29.058 5.299 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -0.579 -21.287 2.865 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -1.047 -20.647 3.414 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -1.160 -21.400 2.079 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -4.588 -27.493 13.177 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -5.442 -27.556 13.653 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -4.619 -26.613 12.747 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.606 -24.180 14.643 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -9.856 -23.318 14.249 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -8.655 -24.076 14.849 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -4.105 -25.062 12.051 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -4.085 -24.087 12.177 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -3.173 -25.331 12.143 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -2.328 -21.479 0.721 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -3.245 -21.233 0.888 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -2.166 -21.178 -0.205 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 1.160 -25.277 5.560 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 0.532 -25.262 6.302 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 1.175 -24.347 5.236 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -6.802 -30.544 13.905 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -7.339 -30.391 14.716 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -5.883 -30.535 14.225 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -2.775 -28.987 11.484 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -2.534 -29.648 12.156 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -3.546 -28.528 11.874 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -1.211 -23.188 10.983 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -1.967 -22.756 11.422 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -1.466 -23.210 10.035 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -12.323 -24.855 20.475 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -11.423 -24.791 20.856 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -12.539 -25.789 20.536 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -8.791 -27.246 16.769 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -8.700 -26.788 17.625 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -9.761 -27.288 16.625 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -1.975 -27.694 14.087 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -1.563 -26.922 13.661 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -2.932 -27.583 13.907 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -7.812 -29.739 16.240 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -8.261 -28.903 16.486 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -7.527 -30.117 17.099 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 1.957 -21.527 1.724 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 1.056 -21.398 2.080 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 2.421 -20.703 1.948 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -12.375 -31.528 16.177 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -12.819 -31.027 15.488 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -12.360 -32.445 15.833 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.749 -33.611 13.708 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -8.815 -33.381 13.496 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -10.172 -33.713 12.827 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -12.249 -33.899 14.774 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -11.356 -33.683 14.423 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -12.609 -34.545 14.126 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -11.226 -29.744 17.924 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -11.595 -30.463 17.364 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -11.269 -28.951 17.352 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -7.640 -36.951 20.216 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -8.415 -37.028 19.607 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -7.619 -35.997 20.449 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 2.216 -29.583 11.087 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 1.760 -30.255 10.531 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 3.167 -29.839 11.049 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -1.326 -25.317 12.685 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -1.082 -24.613 12.043 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -1.566 -24.818 13.504 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 0.781 -31.481 0.306 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 0.101 -31.624 0.998 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 0.956 -32.380 -0.045 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -1.573 -29.684 8.986 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -0.884 -30.308 9.288 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -2.147 -29.564 9.767 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 1.074 -34.457 2.018 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 0.121 -34.597 2.145 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 1.165 -34.310 1.053 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 0.712 -31.275 9.536 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 1.065 -31.405 8.623 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 0.757 -32.169 9.939 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -2.327 -30.420 13.980 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -2.087 -29.479 14.146 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -3.112 -30.567 14.551 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 0.957 -32.126 4.376 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 0.190 -32.089 3.764 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 1.508 -32.836 4.016 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -9.333 -21.609 13.682 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -9.360 -20.667 13.956 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -8.458 -21.925 13.993 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -3.664 -38.094 13.181 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -3.227 -37.278 13.501 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -4.102 -37.817 12.343 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -9.221 -20.126 11.313 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -9.274 -19.323 11.858 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -9.445 -20.845 11.932 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -7.087 -23.051 14.378 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -6.777 -23.674 13.703 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.283 -22.502 14.588 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -3.160 -17.811 12.511 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -3.926 -17.519 11.984 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -3.551 -18.447 13.170 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -6.723 -20.656 10.365 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -6.768 -21.382 9.710 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -7.667 -20.439 10.551 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -13.302 -36.864 4.149 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -12.934 -36.802 3.266 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -14.112 -37.364 4.035 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -0.579 -36.932 11.577 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -0.040 -36.697 10.789 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -1.488 -36.789 11.293 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -4.856 -37.009 10.975 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -5.010 -37.258 10.062 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -5.498 -36.277 11.134 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 1.197 -22.807 4.397 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 0.428 -22.367 3.987 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 1.918 -22.648 3.772 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -11.336 -35.680 16.614 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -12.016 -36.353 16.874 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -11.837 -35.035 16.065 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -7.831 -20.250 28.817 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -7.987 -19.335 29.137 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -8.496 -20.372 28.106 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -9.581 -30.424 28.302 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -9.791 -30.012 27.432 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -10.365 -30.978 28.499 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -7.794 -28.246 28.320 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -6.904 -28.618 28.450 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -8.395 -28.998 28.499 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -7.597 -22.146 30.788 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -7.702 -21.534 30.027 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -6.630 -22.252 30.873 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -10.240 -29.449 23.278 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -9.270 -29.532 23.133 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -10.611 -29.453 22.379 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -12.406 -21.403 28.685 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.687 -21.818 29.176 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -13.135 -22.068 28.722 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -7.531 -30.038 30.881 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -7.824 -29.195 31.265 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -6.718 -29.811 30.391 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -6.121 -24.980 35.974 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -6.877 -24.407 35.705 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -5.328 -24.447 35.755 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -7.612 -29.644 22.583 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -7.558 -29.276 21.683 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -6.699 -29.922 22.786 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -4.910 -21.653 31.292 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -5.082 -20.750 30.939 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -4.984 -21.546 32.263 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -14.052 -23.560 28.592 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -13.696 -24.081 27.833 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -14.800 -24.077 28.901 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -5.111 -36.325 30.698 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -5.340 -36.019 29.812 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.208 -35.538 31.253 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -9.469 -31.882 31.111 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -10.091 -31.168 31.373 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -8.625 -31.407 30.944 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -9.782 -29.236 25.910 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -10.072 -29.334 24.971 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -9.744 -28.270 26.046 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -9.912 -36.773 18.783 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -10.459 -36.462 19.542 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -10.378 -36.433 18.002 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -7.652 -31.053 25.675 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -8.336 -30.355 25.751 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -7.522 -31.363 26.596 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -9.520 -34.981 22.884 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -9.399 -34.426 23.689 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -8.889 -34.599 22.234 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -7.865 -33.084 18.593 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -8.333 -33.336 17.769 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -7.582 -32.164 18.437 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -5.613 -30.021 28.899 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -4.748 -30.455 29.015 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -6.180 -30.719 28.510 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -11.338 -32.377 29.168 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -10.574 -32.412 29.775 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -12.107 -32.451 29.753 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -9.724 -25.213 24.432 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -9.487 -25.808 25.172 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -9.791 -24.331 24.849 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -12.703 -29.113 34.047 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -12.294 -29.510 34.853 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -13.319 -28.463 34.394 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -13.005 -24.728 26.374 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -12.420 -25.213 25.783 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -13.022 -23.818 26.004 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -9.389 -26.598 26.834 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -8.680 -27.128 27.274 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -9.794 -26.106 27.555 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -4.085 -21.960 27.601 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.555 -21.510 28.288 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -3.941 -22.909 27.777 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -12.863 -22.045 25.885 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -12.986 -21.319 25.223 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -12.968 -21.601 26.743 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -9.117 -25.974 19.413 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -9.298 -25.234 18.787 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -9.283 -25.582 20.294 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -9.922 -24.577 21.775 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.770 -25.032 22.636 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -10.074 -23.641 22.028 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -8.907 -33.447 25.051 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -8.453 -32.579 25.025 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -9.200 -33.532 25.963 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -10.529 -22.092 22.771 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.450 -22.415 23.694 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -10.456 -21.118 22.855 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -11.275 -35.729 20.901 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -10.678 -35.529 21.656 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -12.012 -35.127 21.019 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -4.150 -23.062 35.532 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -3.243 -23.104 35.163 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -4.112 -22.331 36.172 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -8.407 -21.485 33.275 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -8.248 -21.802 32.352 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -8.563 -20.537 33.173 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -8.207 -28.621 20.025 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -9.082 -29.007 20.248 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -8.405 -27.681 19.832 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -11.063 -29.824 32.008 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -11.662 -29.500 32.720 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -10.343 -29.157 31.984 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -10.605 -29.894 20.548 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -10.520 -30.852 20.614 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -10.912 -29.743 19.621 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -7.496 -29.742 34.000 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -6.716 -29.627 33.412 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -7.112 -29.764 34.905 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -10.570 -33.182 33.179 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -11.480 -32.993 32.876 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -10.006 -32.883 32.431 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -12.707 -32.021 31.730 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -12.170 -31.199 31.770 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -13.577 -31.750 32.043 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -8.960 -28.064 32.481 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.518 -28.676 33.114 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -8.847 -27.195 32.877 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -5.712 -33.045 30.161 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -5.667 -32.953 31.134 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -4.958 -32.521 29.840 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -9.466 -31.406 35.046 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -8.828 -30.859 34.544 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -9.818 -32.032 34.384 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -7.497 -36.821 38.342 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -7.891 -36.052 37.882 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -6.940 -36.415 39.043 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -6.715 -32.845 36.460 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -7.434 -33.410 36.823 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -6.711 -33.048 35.516 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -9.553 -35.060 34.859 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -9.542 -35.843 34.302 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -9.948 -34.363 34.286 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -0.515 -21.091 32.915 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -0.963 -21.410 32.117 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -0.955 -21.571 33.643 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -5.669 -21.438 33.918 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -5.333 -22.216 34.408 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -6.624 -21.616 33.807 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -5.032 -19.089 30.474 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -4.261 -18.982 31.083 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -4.691 -18.805 29.604 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -4.263 -18.197 27.945 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.775 -18.781 27.349 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.878 -17.461 28.143 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.633 -21.200 29.808 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -1.938 -21.835 30.080 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -3.386 -21.401 30.406 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -1.730 -18.823 28.781 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -1.972 -19.678 29.198 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -2.568 -18.517 28.370 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -11.502 -18.911 28.004 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -11.909 -19.795 28.152 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -11.752 -18.404 28.785 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -7.350 -32.005 28.215 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -8.196 -31.611 28.528 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -7.038 -32.541 28.974 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -8.014 -40.065 26.711 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -8.728 -40.658 26.954 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -7.541 -39.901 27.558 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -6.839 -30.494 18.624 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -7.287 -29.765 19.116 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -6.303 -30.950 19.310 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -12.521 -22.108 20.658 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -12.165 -22.051 21.560 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -12.677 -23.067 20.521 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -6.384 -29.973 36.489 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -5.574 -29.956 37.044 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -6.719 -30.883 36.587 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 1.016 -31.926 38.614 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 1.952 -32.036 38.329 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 0.496 -32.166 37.814 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -4.144 -30.131 38.151 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -3.827 -29.209 38.250 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -3.340 -30.672 38.296 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -1.486 -23.067 34.704 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -1.115 -22.985 35.616 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -1.195 -23.942 34.406 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -4.825 -20.196 36.219 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -5.600 -20.413 36.775 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -5.127 -20.384 35.307 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -1.355 -28.087 35.974 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -1.105 -28.969 35.598 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -0.736 -27.474 35.565 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -8.721 -34.561 37.347 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -9.523 -34.297 37.812 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -9.027 -34.753 36.426 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -5.250 -32.711 38.769 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -4.981 -31.773 38.781 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -5.709 -32.816 37.908 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -1.820 -31.585 38.578 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -0.982 -31.397 39.032 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -1.542 -31.885 37.684 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -6.563 -27.255 37.486 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -6.486 -26.566 36.792 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -6.652 -28.088 36.992 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 3.923 -31.222 35.224 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 3.614 -31.418 34.331 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 3.613 -30.323 35.389 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -0.305 -25.025 39.424 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -1.151 -25.160 39.907 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 0.380 -25.331 40.054 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.595 -25.561 40.765 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -2.902 -25.637 41.671 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -3.414 -25.633 40.227 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 3.349 -18.320 42.092 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 3.458 -17.437 41.734 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 2.611 -18.242 42.700 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -2.664 -27.748 38.343 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -2.249 -27.860 37.453 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -1.993 -27.281 38.858 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -7.883 -23.006 35.478 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -8.309 -22.531 34.735 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -7.736 -22.314 36.152 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -6.140 -35.070 40.010 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -5.906 -34.211 39.607 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -5.607 -35.109 40.812 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -7.067 -21.260 37.522 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -7.657 -20.924 38.204 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -6.632 -22.043 37.942 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -5.926 -23.562 38.414 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -6.023 -24.104 37.608 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -5.542 -24.175 39.063 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -4.761 -26.137 39.198 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -5.573 -26.484 38.762 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -4.051 -26.730 38.874 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -11.513 -30.122 36.287 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -10.792 -30.646 35.866 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -11.166 -29.900 37.154 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 1.852 -29.917 40.290 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 1.450 -30.645 39.774 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 2.044 -29.228 39.623 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 4.410 -30.146 41.247 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 4.770 -30.948 40.819 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 3.449 -30.177 41.047 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 0.667 -35.833 39.071 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -0.074 -35.876 39.714 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 0.545 -36.625 38.509 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 1.965 -33.888 40.549 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 1.586 -34.681 40.117 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 1.589 -33.145 40.050 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 1.657 -35.023 44.825 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 2.221 -34.278 44.541 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 1.638 -34.953 45.782 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -2.940 -33.784 39.825 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -2.389 -33.058 39.480 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -3.839 -33.563 39.513 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.630 -22.831 37.299 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -0.717 -23.263 38.167 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.665 -21.864 37.504 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 1.514 -15.100 9.906 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 1.137 -14.233 10.083 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 1.383 -15.595 10.748 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -4.254 -15.585 15.564 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -4.944 -16.234 15.297 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -4.520 -14.756 15.111 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 1.240 -16.412 12.329 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 1.757 -16.057 13.082 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 0.442 -16.799 12.752 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -5.509 -13.410 14.434 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -5.861 -14.124 13.844 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -5.581 -12.611 13.904 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -4.041 -20.682 10.225 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -3.955 -20.871 9.266 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -5.006 -20.533 10.352 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -1.766 -16.400 16.330 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -2.066 -16.714 17.203 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -2.577 -16.014 15.927 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -3.015 -15.292 20.527 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -3.207 -15.803 19.715 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -3.613 -14.513 20.463 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -4.894 -15.395 18.201 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -5.389 -16.218 18.296 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -4.519 -15.444 17.296 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -6.740 -13.653 16.996 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -6.038 -14.077 17.524 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -6.312 -13.462 16.139 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -6.258 -15.548 13.013 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -6.456 -16.186 13.730 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -6.089 -16.113 12.233 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -11.496 -14.919 16.497 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -11.316 -15.598 15.845 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -10.652 -14.812 16.970 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -6.519 -17.166 15.258 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -6.186 -17.949 15.740 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -7.434 -17.050 15.599 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -9.040 -14.859 17.826 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -8.266 -14.374 17.447 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -9.155 -14.467 18.702 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -0.891 -17.347 13.855 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -1.208 -17.019 14.722 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.711 -17.422 13.313 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -13.753 -18.589 22.022 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -13.215 -17.841 21.680 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -14.018 -19.068 21.232 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -9.050 -18.874 13.968 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -9.099 -18.253 14.721 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -8.099 -18.882 13.722 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -6.881 -14.061 21.207 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -6.746 -13.911 22.169 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -6.058 -13.725 20.799 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -6.577 -19.439 12.930 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -5.774 -19.538 13.509 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -6.549 -20.218 12.350 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -9.358 -19.031 18.308 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -9.738 -19.907 18.518 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -8.773 -18.837 19.060 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -9.021 -17.187 16.331 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -9.073 -16.373 16.879 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -9.179 -17.918 16.975 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 2.732 -15.405 19.852 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 3.418 -15.179 20.509 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 2.315 -16.200 20.214 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 0.969 -16.914 16.247 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 0.013 -16.719 16.339 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 1.277 -16.281 15.577 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 0.331 -19.725 14.536 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -0.177 -20.077 15.284 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -0.216 -18.984 14.200 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -5.678 -17.544 11.209 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -6.060 -18.209 11.828 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 -5.815 -17.929 10.336 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 3.217 -17.797 10.950 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 4.012 -17.302 11.236 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 2.481 -17.371 11.440 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 0.833 -17.247 8.148 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 1.166 -16.449 8.597 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -0.014 -17.416 8.566 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -1.623 -19.785 11.144 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -1.929 -19.031 11.680 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -2.444 -20.130 10.737 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -10.253 -21.529 19.257 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -9.749 -21.758 20.046 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -11.192 -21.589 19.549 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 -5.742 -10.991 25.654 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 -5.631 -10.217 25.096 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 -6.680 -11.251 25.517 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 -10.137 -10.854 26.742 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 -10.608 -10.178 27.231 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 -10.559 -11.695 27.031 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 1.031 -18.504 31.662 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 1.484 -17.898 31.038 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 0.401 -18.988 31.111 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 -2.366 -14.867 28.302 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 -1.703 -15.591 28.326 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 -2.700 -14.878 27.384 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -7.722 -19.331 24.741 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -7.126 -19.736 25.413 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -7.153 -18.672 24.292 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -11.308 -13.167 27.593 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -10.969 -13.754 26.885 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -11.433 -13.753 28.346 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 1.227 -15.331 33.024 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 1.647 -15.755 33.810 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 1.985 -14.965 32.519 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 0.906 -14.437 27.361 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 0.307 -14.053 26.691 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 0.402 -15.186 27.734 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 -5.959 -20.119 26.746 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 -5.288 -20.836 26.842 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 -6.533 -20.228 27.530 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -10.386 -12.894 23.482 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -11.216 -12.478 23.223 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -10.115 -13.407 22.684 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 -4.398 -12.902 20.835 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 -3.866 -12.902 21.666 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 -4.326 -12.000 20.508 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 0.282 -11.157 29.977 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 -0.572 -11.550 29.680 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 0.551 -10.582 29.228 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -8.288 -11.680 24.927 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -8.849 -11.297 25.643 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -8.936 -12.060 24.300 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -2.115 -12.673 32.456 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -1.842 -13.535 32.069 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -2.706 -12.294 31.793 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -2.690 -13.114 22.961 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -1.872 -13.508 22.611 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -2.847 -13.593 23.801 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -3.522 -16.175 35.322 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -4.139 -16.301 34.560 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -2.671 -15.948 34.903 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 -9.520 -20.312 26.660 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -10.251 -19.723 26.945 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 -9.077 -19.818 25.943 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -4.990 -16.384 33.044 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 -5.745 -16.960 32.801 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 -4.558 -16.185 32.192 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 -5.944 -16.317 29.141 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 -5.257 -16.202 29.830 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 -6.006 -15.429 28.717 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 -8.259 -15.957 24.103 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 -7.821 -15.088 23.958 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 -7.518 -16.558 24.319 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -6.696 -13.765 23.899 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -7.061 -12.988 24.367 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 -6.024 -14.136 24.532 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 -3.337 -12.068 26.459 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 -4.161 -11.607 26.186 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 -3.438 -12.972 26.093 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 -11.999 -16.742 20.981 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 -11.084 -16.909 21.280 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 -11.902 -16.116 20.255 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 -3.662 -15.751 30.631 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 -2.829 -15.737 31.138 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 -3.419 -15.347 29.772 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -10.126 -19.434 23.383 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -9.267 -19.436 23.859 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -10.095 -18.624 22.839 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 -10.203 -14.718 25.601 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 -9.513 -15.280 25.186 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 -10.368 -14.018 24.934 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -5.695 -13.894 27.943 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 -5.470 -14.316 27.074 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -5.730 -12.953 27.745 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 -10.247 -16.392 27.864 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 -10.721 -17.184 27.554 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 -10.212 -15.810 27.079 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 -8.332 -17.599 29.528 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 -9.005 -17.084 29.036 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 -7.487 -17.122 29.350 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 -0.710 -13.047 25.586 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 -1.146 -12.446 26.216 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 -1.423 -13.695 25.351 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 1.094 -13.937 23.596 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 0.436 -14.189 22.914 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 0.553 -13.622 24.344 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 -1.987 -12.222 28.855 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 -2.524 -11.881 28.111 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 -2.128 -13.192 28.821 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 -7.008 -18.008 31.999 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 -7.691 -17.739 31.362 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 -6.352 -18.493 31.453 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 -9.403 -17.158 21.914 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 -8.692 -17.612 21.415 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 -8.943 -16.769 22.695 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -1.037 -14.953 31.357 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -0.719 -15.116 30.457 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -0.251 -15.110 31.923 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 2.129 -16.625 29.976 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 2.910 -16.765 29.425 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 2.379 -15.868 30.553 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -9.555 -14.376 21.328 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -8.597 -14.175 21.203 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -9.583 -15.340 21.436 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 -0.937 -15.203 34.723 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 -0.128 -15.059 34.187 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -1.208 -14.295 34.990 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 2.433 -9.789 23.607 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 1.596 -10.162 23.982 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 2.189 -8.897 23.340 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 -0.677 -14.572 21.617 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 -1.525 -14.913 21.241 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 -0.096 -14.494 20.850 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 0.072 -10.488 24.737 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 -0.175 -11.423 24.850 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 -0.528 -10.012 25.322 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 -1.599 -12.620 35.180 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 -2.397 -12.784 35.733 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 -1.960 -12.433 34.289 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 -0.275 -16.551 28.687 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 -0.713 -17.440 28.703 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 0.593 -16.703 29.119 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 0.501 -11.721 32.654 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 0.529 -11.328 31.760 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 -0.419 -12.033 32.743 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 -10.273 -22.705 25.465 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 -11.222 -22.504 25.627 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 -9.796 -22.013 25.971 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 -12.762 -19.986 24.151 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -13.305 -19.511 23.482 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -11.849 -19.727 23.938 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 -3.207 -19.110 32.441 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 -2.418 -18.583 32.707 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 -3.596 -19.387 33.276 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 -0.730 -20.130 37.618 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 -0.051 -19.453 37.717 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 -1.501 -19.645 37.253 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 -1.107 -17.589 33.222 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 -0.978 -16.736 33.669 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 -0.261 -17.756 32.770 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 -2.638 -18.525 36.459 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 -3.401 -19.146 36.426 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 -3.014 -17.671 36.155 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 4.148 -37.334 -0.406 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 3.856 -36.902 0.436 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 4.118 -38.277 -0.206 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 7.350 -39.356 -1.939 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 7.540 -40.232 -2.285 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 7.998 -39.240 -1.206 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 4.650 -35.749 -7.162 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 4.018 -36.018 -7.838 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 5.504 -35.677 -7.649 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 12.662 -38.423 12.802 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 11.840 -37.968 12.516 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 13.089 -38.690 11.967 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 14.269 -41.404 13.610 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 14.545 -42.064 14.278 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 14.651 -40.563 13.938 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 17.345 -40.453 18.224 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 16.963 -39.624 17.869 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 16.561 -40.954 18.560 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 13.756 -41.358 10.934 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 13.956 -41.357 11.900 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 13.713 -42.289 10.704 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 9.325 -42.075 14.396 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 9.154 -42.484 15.250 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 10.239 -41.724 14.476 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 5.843 -39.578 18.071 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 5.597 -39.516 17.119 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 5.489 -40.450 18.349 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 13.522 -40.850 16.681 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 13.827 -40.120 17.271 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 14.348 -41.319 16.432 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 12.478 -35.717 2.942 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 12.910 -36.464 2.518 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 11.954 -36.124 3.671 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 3.439 -43.798 19.950 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 3.052 -44.665 19.692 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 2.660 -43.267 20.232 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 11.751 -47.362 21.038 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 11.451 -46.432 21.154 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 12.456 -47.301 20.359 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 2.152 -46.131 19.350 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 1.354 -45.840 18.840 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 2.295 -47.040 19.066 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 12.005 -43.094 17.399 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 11.107 -42.902 17.729 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 12.384 -42.216 17.204 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 9.556 -48.566 22.208 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 10.268 -48.133 21.688 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 9.929 -49.411 22.460 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 15.228 -41.901 19.123 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 14.581 -41.775 19.856 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 15.005 -42.778 18.761 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 15.379 -42.700 15.823 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 14.990 -43.288 16.500 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 16.300 -42.991 15.764 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 7.715 -38.444 14.860 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 7.755 -37.560 14.438 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 6.914 -38.412 15.406 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 8.441 -39.048 10.871 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 8.227 -39.711 11.562 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 7.665 -38.445 10.874 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 5.134 -40.870 11.722 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 5.355 -41.733 11.359 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 5.919 -40.630 12.262 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 17.220 -39.220 12.837 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 17.232 -38.541 12.134 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 18.167 -39.369 13.037 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 7.155 -43.258 19.739 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 6.496 -42.807 19.168 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 7.993 -43.195 19.231 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 15.350 -39.176 14.785 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 15.783 -38.930 15.635 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 16.090 -39.195 14.131 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 9.523 -42.382 18.624 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 10.179 -42.396 19.363 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 9.076 -41.510 18.720 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 14.002 -46.712 19.406 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 14.659 -46.319 20.018 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 14.546 -47.249 18.790 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 14.403 -44.319 17.931 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 14.258 -45.121 18.477 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 13.491 -44.002 17.726 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 9.117 -38.721 0.053 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 9.085 -37.756 -0.091 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 9.435 -38.818 0.953 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 19.797 -38.880 13.567 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 20.313 -39.708 13.667 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 20.383 -38.196 13.926 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 12.694 -42.690 23.516 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 12.647 -42.466 22.557 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 13.624 -42.484 23.764 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 11.734 -40.763 14.678 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 12.307 -40.885 15.471 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 12.359 -40.804 13.931 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 18.379 -46.348 18.888 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 18.213 -45.826 19.694 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 19.307 -46.656 18.991 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 13.941 -38.738 10.369 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 14.877 -38.633 10.163 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 13.819 -39.718 10.437 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 0.989 -41.728 15.687 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 1.513 -40.921 15.538 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 0.775 -42.048 14.784 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 7.577 -40.495 13.032 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 7.607 -39.799 13.724 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 8.170 -41.201 13.382 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 4.904 -39.493 15.540 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 3.929 -39.479 15.651 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 5.044 -39.121 14.649 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 8.074 -35.975 13.589 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 8.075 -35.648 14.516 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 7.993 -35.153 13.046 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 10.448 -38.442 15.310 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 9.473 -38.513 15.236 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 10.774 -39.315 14.996 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 2.857 -39.375 11.565 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 2.230 -39.964 11.124 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 3.692 -39.908 11.618 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 6.465 -37.259 11.489 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 7.036 -36.646 11.982 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 5.854 -37.618 12.175 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 8.748 -36.050 -0.900 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 9.213 -35.951 -1.740 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 7.823 -36.264 -1.164 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 3.168 -36.340 1.937 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 3.382 -36.552 2.870 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 2.447 -35.684 2.004 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 13.807 -47.447 29.751 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 13.199 -47.336 30.499 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 14.490 -48.066 30.093 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 11.823 -43.796 25.866 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 12.631 -44.279 26.076 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 12.017 -43.367 25.000 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 4.315 -43.871 28.038 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 4.530 -44.584 28.671 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 4.622 -43.054 28.488 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 -1.609 -47.065 24.980 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 -2.316 -47.689 24.803 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 -1.959 -46.205 24.655 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 2.761 -46.191 24.099 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 2.269 -45.977 23.271 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 2.617 -45.408 24.667 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 9.870 -44.386 30.950 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 10.755 -44.130 31.255 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 9.970 -44.464 29.972 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 13.033 -48.547 32.317 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 13.931 -48.838 32.037 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 12.500 -49.369 32.296 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 3.644 -47.532 28.782 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 4.120 -46.801 29.220 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 3.969 -47.511 27.855 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 10.563 -44.456 28.332 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 10.933 -44.135 27.490 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 10.761 -45.421 28.330 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 6.815 -43.705 31.018 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 7.753 -43.832 30.782 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 6.740 -44.107 31.914 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 -0.637 -40.291 20.339 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 -0.844 -39.543 19.767 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 -1.513 -40.690 20.530 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 13.639 -47.693 22.966 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 12.826 -47.801 22.431 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 13.959 -46.803 22.728 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 11.143 -44.736 21.525 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 11.149 -43.825 21.146 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 10.634 -44.642 22.363 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 18.129 -48.490 31.734 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 18.686 -47.981 32.369 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 18.004 -47.871 30.974 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 15.534 -46.795 27.651 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 15.210 -47.303 26.871 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 14.820 -46.893 28.314 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 5.223 -41.814 29.671 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 5.816 -42.384 30.198 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 4.847 -41.184 30.321 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 13.795 -45.003 22.267 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 13.662 -44.259 22.874 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 12.938 -45.078 21.797 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 3.248 -45.742 32.532 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 2.473 -45.146 32.540 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 2.878 -46.609 32.800 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 4.023 -44.605 35.032 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 3.846 -45.064 34.187 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 3.179 -44.147 35.237 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 17.846 -50.534 33.804 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 17.909 -49.855 33.108 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 18.463 -51.238 33.504 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 14.535 -53.152 35.527 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 13.846 -52.803 36.130 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 15.261 -53.430 36.127 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 16.092 -47.655 17.901 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 16.862 -47.293 18.389 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 16.410 -47.756 17.001 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 9.038 -48.285 32.014 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 9.471 -48.608 31.199 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 8.089 -48.193 31.764 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 11.260 -47.099 28.676 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 12.220 -47.212 28.794 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 10.872 -47.855 29.153 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 14.918 -48.106 25.322 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.311 -48.036 24.548 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 15.772 -48.307 24.932 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 15.928 -47.268 35.810 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 15.162 -47.781 35.459 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 16.531 -47.956 36.164 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 15.466 -49.125 31.159 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 16.312 -48.806 31.527 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 15.715 -49.949 30.679 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 0.743 -46.491 26.257 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 1.299 -46.940 25.602 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 -0.175 -46.628 25.921 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 4.356 -47.244 26.141 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 5.232 -47.183 25.738 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 3.741 -47.077 25.402 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 5.509 -46.150 23.604 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 4.546 -46.311 23.647 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 5.665 -45.889 22.667 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 9.169 -45.799 33.164 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 9.399 -45.314 32.337 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 9.208 -46.747 32.900 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 10.682 -49.516 30.058 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 10.766 -50.157 29.345 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 11.044 -49.984 30.844 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 16.017 -45.309 20.667 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 16.847 -44.872 20.927 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 15.376 -45.042 21.357 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 1.399 -47.560 33.717 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 1.828 -48.211 34.320 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 0.763 -47.097 34.288 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 10.714 -44.276 34.784 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 10.184 -44.949 34.296 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 11.325 -43.935 34.120 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 5.630 -45.187 21.066 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 6.359 -44.870 20.503 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 4.832 -44.790 20.670 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 2.439 -44.329 26.164 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 1.813 -45.050 26.407 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 3.076 -44.296 26.921 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 11.639 -50.903 32.267 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 10.961 -50.679 32.955 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 12.181 -51.587 32.685 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 14.131 -45.848 37.426 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 14.796 -46.315 36.881 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 14.667 -45.264 38.008 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 19.678 -52.063 32.387 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 19.663 -51.552 31.548 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 20.174 -52.856 32.172 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 16.765 -51.062 29.720 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 16.711 -51.453 28.846 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 17.724 -50.928 29.865 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 5.052 -43.598 24.784 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 5.413 -44.492 24.610 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.303 -43.758 25.386 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 8.197 -40.126 19.341 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 8.474 -39.252 19.674 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 7.351 -39.947 18.881 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 2.348 -48.853 35.917 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 3.253 -49.019 36.254 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 1.960 -48.239 36.573 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 9.910 -44.516 23.958 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 10.433 -44.525 24.777 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 9.339 -45.317 24.026 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 6.416 -47.551 31.597 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.175 -46.845 32.216 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 5.763 -47.478 30.888 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 8.369 -46.751 23.889 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 8.702 -47.432 23.262 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 7.417 -46.703 23.706 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 15.508 -44.185 39.082 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 15.411 -43.245 38.784 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 14.774 -44.304 39.724 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 17.176 -44.431 17.275 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 17.670 -45.129 17.752 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 16.270 -44.494 17.633 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 4.813 -45.479 30.224 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 5.543 -44.873 30.471 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 4.260 -45.534 31.036 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 9.928 -49.860 34.055 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 10.201 -49.298 34.813 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 9.445 -49.245 33.464 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 4.801 -48.569 37.121 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 5.680 -48.707 37.477 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 4.610 -47.626 37.306 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 10.262 -49.298 41.310 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 9.430 -49.742 41.490 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 10.029 -48.597 40.663 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 10.907 -49.930 38.291 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 11.166 -50.353 39.119 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 10.437 -49.120 38.575 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 4.965 -42.156 18.427 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 4.420 -42.709 19.034 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 4.470 -42.161 17.598 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 19.467 -45.316 24.184 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 18.685 -45.486 24.749 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 20.037 -44.741 24.736 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 23.367 -47.099 21.137 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 22.837 -47.020 21.962 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 24.290 -46.933 21.429 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 17.496 -45.447 26.119 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 16.737 -45.869 26.567 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 18.073 -45.149 26.861 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -0.141 -46.715 31.406 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 0.291 -47.340 32.018 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 0.197 -46.979 30.516 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 17.085 -49.765 36.381 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 17.370 -50.053 35.484 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 17.312 -50.517 36.953 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 19.410 -50.400 30.210 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 19.000 -49.755 30.824 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 19.808 -49.835 29.507 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 13.919 -48.841 34.974 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 13.210 -48.577 34.364 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 14.280 -49.674 34.575 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 11.285 -44.381 42.418 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 11.416 -45.328 42.169 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 11.053 -44.415 43.354 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 12.215 -41.809 42.934 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 12.242 -42.685 42.505 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 11.787 -41.985 43.800 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 9.244 -39.791 44.793 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 10.193 -39.551 44.725 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 8.774 -38.974 44.535 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 12.486 -39.946 40.969 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 12.656 -40.422 40.112 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 12.443 -40.667 41.634 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 9.101 -41.423 42.589 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 9.749 -42.103 42.831 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 8.971 -40.912 43.419 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 11.883 -39.321 44.217 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 12.564 -39.312 44.928 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 12.122 -40.098 43.671 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 11.738 -46.999 41.809 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 12.351 -47.083 41.056 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 11.337 -47.885 41.888 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 11.402 -45.683 37.054 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 12.369 -45.639 37.230 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 11.272 -45.093 36.280 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 12.875 -47.596 39.196 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 13.372 -48.368 38.877 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 13.271 -46.843 38.711 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 12.920 -36.624 45.809 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 13.210 -35.805 45.337 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 11.949 -36.606 45.742 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 10.030 -47.526 39.258 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 9.556 -46.690 39.068 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 10.979 -47.275 39.225 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 6.304 -44.467 38.857 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 6.497 -43.795 39.543 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 7.161 -44.901 38.709 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 3.083 -37.611 42.050 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 3.233 -38.577 41.920 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 2.139 -37.545 42.294 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 4.286 -45.874 37.536 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 4.898 -45.351 38.101 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 4.279 -45.394 36.683 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 13.010 -43.967 40.179 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 12.281 -44.043 40.816 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 12.862 -43.096 39.742 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 15.013 -51.051 33.898 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 14.838 -51.883 34.400 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 15.980 -51.037 33.791 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 10.871 -48.246 36.027 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 11.023 -47.363 36.416 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 10.967 -48.860 36.779 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 12.385 -42.236 47.150 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 13.086 -42.851 47.456 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 12.568 -41.413 47.637 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 5.894 -36.939 42.221 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 5.186 -37.587 42.052 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 5.418 -36.149 42.540 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 1.607 -46.701 37.470 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 2.517 -46.418 37.695 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 1.054 -46.348 38.208 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 9.891 -39.049 41.401 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 10.776 -39.319 41.072 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 9.469 -39.895 41.662 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 8.345 -37.611 43.293 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 7.443 -37.351 42.994 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 8.721 -38.086 42.526 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 10.644 -42.288 45.084 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 11.243 -42.383 45.866 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 10.014 -41.597 45.353 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 13.591 -40.217 48.686 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 13.816 -39.413 49.211 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 14.107 -40.921 49.099 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 7.719 -42.852 40.654 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 8.498 -43.348 40.371 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 8.055 -42.265 41.363 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 3.867 -40.176 41.674 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 3.115 -40.793 41.515 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 4.647 -40.731 41.592 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 9.125 -44.982 38.458 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 9.998 -45.209 38.069 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 8.825 -44.210 37.926 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 6.532 -45.079 33.366 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 6.103 -45.150 34.232 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 7.450 -45.395 33.522 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 0.589 -36.714 42.915 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 0.094 -36.178 42.264 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 0.967 -36.051 43.540 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 18.694 -37.553 49.529 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 19.527 -37.825 49.087 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 18.452 -36.705 49.083 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 16.669 -39.046 48.414 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 17.422 -38.578 48.836 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 15.882 -38.708 48.894 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 19.152 -44.147 42.350 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 20.046 -44.427 42.143 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 18.599 -44.927 42.126 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 12.898 -51.657 37.169 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 13.540 -50.942 37.325 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 12.034 -51.232 37.300 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 14.625 -43.485 48.114 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 15.062 -44.336 48.181 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 15.354 -42.855 47.910 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 13.791 -39.226 46.151 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 13.558 -38.280 46.261 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 13.697 -39.604 47.054 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 18.619 -46.825 38.681 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 19.543 -46.551 38.884 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 18.281 -46.108 38.104 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 14.567 -49.482 37.528 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 14.121 -49.179 36.706 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.509 -49.562 37.268 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 16.529 -53.613 37.364 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 16.507 -52.836 37.967 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 16.991 -54.287 37.866 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 9.305 -31.999 45.953 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 9.169 -31.566 46.822 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 9.784 -32.827 46.172 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 10.293 -36.093 44.843 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 10.768 -36.254 43.999 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 9.396 -36.438 44.675 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 14.587 -37.991 49.906 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 14.181 -37.114 49.702 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 15.242 -37.791 50.614 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 11.436 -37.165 42.648 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 10.812 -37.527 41.990 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 11.565 -37.909 43.282 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 11.288 -31.285 -4.990 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 11.168 -30.331 -4.811 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 10.373 -31.615 -5.129 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 10.099 -28.688 -5.281 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 9.998 -28.365 -6.182 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 9.194 -28.963 -5.019 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 11.580 -26.272 -7.361 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 12.103 -25.452 -7.514 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 12.245 -26.946 -7.187 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 3.277 -21.178 -5.675 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 3.415 -21.662 -4.837 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 3.691 -20.323 -5.527 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 2.619 -29.382 -12.351 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 2.099 -28.987 -11.623 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 2.402 -30.334 -12.311 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 15.499 -22.564 -7.885 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 15.528 -21.869 -7.191 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 16.169 -22.291 -8.519 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 14.250 -30.704 -3.279 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 13.477 -31.027 -2.781 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 14.314 -31.319 -4.043 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 6.441 -33.427 -10.660 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 5.828 -33.041 -11.322 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 6.914 -32.654 -10.300 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 7.638 -31.192 -9.549 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 7.590 -30.866 -10.483 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 7.920 -30.421 -9.048 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 3.144 -35.886 -4.755 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 2.367 -36.455 -4.895 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 3.672 -35.994 -5.570 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 -0.567 -27.363 -12.775 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 0.226 -27.351 -13.359 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 -1.089 -28.120 -13.101 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 13.437 -24.274 -7.393 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 14.023 -24.876 -6.886 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 14.058 -23.619 -7.793 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 14.928 -26.009 -5.894 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 14.682 -26.888 -5.518 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 15.771 -26.172 -6.337 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 15.904 -30.417 -1.105 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 15.295 -30.484 -1.871 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 16.729 -30.788 -1.427 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 7.470 -30.216 -12.075 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 7.030 -30.699 -12.786 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 8.053 -29.576 -12.542 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 8.403 -24.431 -11.017 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 7.690 -24.986 -11.339 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 8.773 -24.930 -10.256 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 12.475 -23.021 -5.168 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 12.468 -22.043 -5.324 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 12.644 -23.401 -6.059 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 6.705 -24.497 0.487 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 6.232 -24.746 1.306 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 6.251 -23.680 0.185 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 9.171 -28.474 -13.358 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 9.871 -27.988 -12.907 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 9.247 -28.204 -14.278 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 14.830 -29.271 1.086 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 15.229 -29.762 0.325 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 14.953 -29.877 1.852 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 6.847 -35.295 -8.792 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 7.440 -35.935 -9.204 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 6.610 -34.677 -9.531 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 8.652 -31.865 -5.093 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 8.196 -31.006 -4.982 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 8.228 -32.262 -5.881 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 12.312 -32.720 -2.846 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 12.951 -33.173 -3.415 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 11.775 -32.188 -3.469 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 1.615 -27.778 -14.316 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 2.144 -27.818 -15.116 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 2.107 -28.338 -13.672 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 14.302 -32.213 -8.197 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 15.246 -32.408 -8.222 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 13.946 -32.653 -9.004 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 -1.678 -33.223 -18.142 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 -2.413 -33.133 -18.750 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 -1.140 -33.921 -18.520 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 7.321 -32.945 -7.331 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 7.330 -33.824 -7.760 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 7.372 -32.315 -8.081 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 4.792 -31.796 -12.176 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 3.846 -32.027 -12.245 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 4.790 -30.842 -12.029 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 10.681 -29.859 -2.390 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 10.209 -30.649 -2.091 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 11.361 -29.706 -1.695 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 7.494 -29.374 -4.638 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 6.640 -29.860 -4.710 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 7.250 -28.520 -4.220 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 13.756 -32.351 -5.420 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 12.852 -31.966 -5.401 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 13.948 -32.458 -6.370 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 13.447 -29.704 -7.260 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 12.638 -29.625 -7.771 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 13.839 -30.550 -7.564 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 9.211 -25.636 -8.683 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 8.906 -24.983 -8.047 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 10.076 -25.932 -8.327 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 14.850 -22.494 -1.516 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 14.632 -22.989 -2.326 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 15.826 -22.470 -1.516 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 5.974 -19.874 -1.783 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 6.728 -19.628 -2.358 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 6.273 -19.632 -0.885 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 8.583 -32.460 -2.371 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 7.858 -33.113 -2.503 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 8.835 -32.206 -3.280 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 14.334 -28.499 -4.950 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.021 -28.944 -5.772 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 14.357 -29.222 -4.285 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 0.551 -35.259 -7.718 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 0.052 -35.629 -8.455 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 0.816 -34.383 -8.024 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 1.197 -21.598 -13.645 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 1.128 -22.492 -13.999 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 1.665 -21.107 -14.328 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 6.243 -22.991 3.622 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 6.618 -22.783 4.504 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 6.639 -22.335 3.039 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 12.554 -22.729 0.006 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 13.379 -22.944 -0.469 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 12.545 -21.756 0.029 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 3.077 -33.030 -4.182 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 2.674 -33.887 -3.966 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 3.878 -33.268 -4.691 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 14.004 -27.280 -2.252 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 14.362 -27.555 -3.109 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 14.797 -27.052 -1.719 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 5.365 -33.636 -5.558 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 4.987 -34.411 -6.031 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 6.157 -33.399 -6.091 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 11.457 -33.652 -0.416 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 11.022 -34.398 -0.833 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 11.859 -33.162 -1.166 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 13.407 -33.262 3.708 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 14.007 -32.907 3.041 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 13.116 -34.127 3.336 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 6.619 -34.258 -2.922 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 6.453 -35.176 -2.613 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 6.166 -34.211 -3.780 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 8.475 -33.516 0.223 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 8.448 -34.450 -0.060 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 8.581 -33.018 -0.611 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 -0.171 -23.136 -8.139 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 0.255 -22.930 -9.007 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 -0.912 -22.507 -8.086 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 14.083 -26.440 5.723 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 14.293 -26.812 4.839 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 14.966 -26.235 6.109 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 14.844 -23.888 -4.033 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 14.087 -23.404 -4.420 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 14.959 -24.660 -4.624 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 15.969 -27.012 -0.282 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 16.327 -26.492 0.461 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 15.692 -27.851 0.128 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 13.609 -33.524 -10.544 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 14.147 -34.158 -11.032 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 12.783 -33.483 -11.039 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 1.990 -32.084 -12.128 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 1.304 -31.869 -11.455 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 1.605 -32.808 -12.636 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 0.771 -37.249 -3.782 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 0.587 -38.134 -3.449 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 1.201 -36.792 -3.029 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 5.248 -25.371 2.665 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 4.332 -25.201 2.409 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 5.538 -24.536 3.102 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 5.436 -22.291 -0.559 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 4.460 -22.415 -0.588 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 5.596 -21.521 -1.145 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 11.689 -18.289 -0.036 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 11.112 -18.813 0.570 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 12.445 -18.893 -0.225 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 12.299 -17.739 -5.124 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 11.949 -17.835 -4.204 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 11.602 -17.264 -5.589 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 9.274 -20.026 -5.454 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 10.141 -20.121 -5.863 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 8.672 -20.525 -6.051 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 15.644 -20.638 -5.937 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 16.138 -20.839 -5.132 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 15.571 -19.654 -5.936 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 12.823 -20.412 -5.731 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 12.652 -19.469 -5.535 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.784 -20.450 -5.898 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 17.197 -23.301 -2.773 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 17.811 -24.034 -2.857 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 16.415 -23.579 -3.293 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 1.921 -23.418 -6.380 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 2.374 -22.553 -6.258 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 1.214 -23.227 -7.031 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 0.874 -22.302 -10.493 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 1.638 -22.251 -11.076 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 0.215 -21.717 -10.914 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.886 -22.080 -9.676 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 8.630 -22.856 -10.222 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.650 -21.715 -10.132 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 5.303 -30.914 -5.013 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 5.278 -31.827 -5.364 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 4.745 -30.401 -5.635 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 2.559 -35.880 -2.086 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 3.157 -36.379 -1.485 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 3.031 -35.878 -2.946 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 6.343 -36.821 -1.966 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.543 -36.943 -1.411 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 6.657 -37.740 -2.135 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 13.291 -33.342 6.402 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 14.176 -33.637 6.683 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 13.328 -33.379 5.415 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 13.664 -20.182 -0.280 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 14.205 -20.794 -0.815 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 14.208 -20.019 0.524 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 16.734 -31.702 8.325 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 17.374 -31.348 7.674 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 16.411 -32.530 7.915 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 11.108 -32.294 9.949 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 12.001 -32.598 10.151 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 10.887 -32.746 9.110 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 9.971 -38.836 8.614 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 10.532 -39.603 8.760 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 9.311 -38.881 9.341 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 3.457 -19.186 5.598 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 3.200 -19.052 4.660 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 2.715 -19.675 5.978 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 11.073 -20.378 4.783 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 11.225 -20.784 5.663 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 11.452 -21.024 4.152 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 10.355 -37.338 11.940 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 9.765 -38.014 11.536 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 9.785 -36.882 12.583 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 12.604 -29.028 -0.653 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 13.057 -28.399 -1.257 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 13.247 -29.168 0.066 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 12.291 -29.754 10.386 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 13.078 -30.141 9.955 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 11.686 -30.507 10.484 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 1.138 -33.665 10.837 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 2.101 -33.798 10.668 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 1.057 -33.713 11.814 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 4.075 -27.060 -0.261 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 3.979 -27.177 -1.224 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 3.168 -26.863 0.048 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 8.647 -32.121 6.657 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 9.215 -32.731 7.169 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 7.793 -32.117 7.147 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 10.820 -33.717 7.544 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 11.719 -33.570 7.169 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 10.742 -34.693 7.597 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 7.922 -33.760 12.002 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 7.154 -33.264 11.632 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 8.686 -33.381 11.551 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 18.478 -30.975 6.322 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 19.213 -31.097 5.712 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 18.638 -30.081 6.714 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 17.323 -20.869 3.129 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 16.555 -20.533 2.628 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 18.097 -20.445 2.689 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 12.256 -21.760 2.709 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 13.117 -21.782 3.179 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 12.372 -22.384 1.967 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 19.453 -19.446 2.284 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 20.167 -19.433 2.947 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 19.330 -18.509 2.053 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 11.336 -28.763 7.084 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 11.853 -27.972 6.886 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.847 -29.495 6.663 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 12.788 -30.682 5.835 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 13.442 -30.612 5.128 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 12.943 -31.570 6.214 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 11.030 -36.918 4.927 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 10.443 -37.679 4.976 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 11.148 -36.649 5.863 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 7.451 -22.071 5.941 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 6.966 -21.217 6.017 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 8.364 -21.809 5.773 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 2.338 -29.869 2.061 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 2.015 -29.539 2.919 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 1.580 -30.352 1.692 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 4.021 -37.029 10.228 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 4.965 -37.134 10.479 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 3.581 -37.794 10.637 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 10.372 -19.937 1.711 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 9.529 -20.170 2.127 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 11.001 -20.606 2.054 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 14.930 -19.684 2.106 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 14.623 -20.187 2.890 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 14.661 -18.761 2.294 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 16.898 -25.635 2.027 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 16.663 -24.697 2.041 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 17.840 -25.647 2.233 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 7.648 -20.037 3.346 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 8.222 -19.298 3.645 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 6.989 -20.120 4.061 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 1.303 -26.816 3.260 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 1.220 -26.220 4.034 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 1.050 -27.693 3.607 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 4.332 -17.550 7.730 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 3.934 -17.989 6.948 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 3.892 -17.969 8.484 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 0.768 -21.167 10.978 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 0.045 -20.499 11.049 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 0.297 -22.022 11.012 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 11.506 -25.830 6.516 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 12.437 -25.940 6.198 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 10.963 -26.185 5.781 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 19.076 -28.648 7.615 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 19.898 -28.162 7.831 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 18.764 -28.976 8.480 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 16.543 -25.952 6.811 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 17.245 -26.606 6.924 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 16.828 -25.193 7.367 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 18.370 -20.682 13.112 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 18.428 -20.993 12.181 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 18.812 -21.396 13.630 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 15.099 -27.425 3.257 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 15.714 -26.762 2.890 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 14.852 -27.971 2.489 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 17.761 -33.213 10.393 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 17.532 -32.460 9.808 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 18.212 -32.793 11.159 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 5.383 -29.232 8.547 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 5.078 -29.580 9.422 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 5.760 -28.367 8.754 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 15.301 -30.597 3.453 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 15.560 -29.803 3.940 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 15.717 -31.334 3.954 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 16.425 -32.451 5.142 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 16.270 -33.238 5.693 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 17.182 -32.005 5.569 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 15.877 -34.149 7.424 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 16.704 -34.632 7.667 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 15.242 -34.396 8.130 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 6.314 -31.818 8.130 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 6.143 -32.147 9.041 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 5.843 -30.963 8.095 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 0.762 -33.432 13.550 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 0.068 -33.432 14.247 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 1.016 -32.485 13.467 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 1.765 -31.723 7.065 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 2.591 -32.212 7.023 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 1.368 -31.847 6.183 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 3.958 -36.514 15.415 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 4.269 -36.702 16.331 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 3.031 -36.215 15.531 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 12.330 -36.498 10.113 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 11.608 -36.698 10.748 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 12.932 -37.274 10.182 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 15.945 -34.959 11.337 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 16.362 -35.842 11.389 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 16.677 -34.369 11.051 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 17.782 -37.047 11.254 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 18.161 -36.572 12.026 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 18.510 -37.059 10.600 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 3.689 -34.282 10.163 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 4.523 -33.809 10.321 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 3.943 -35.229 10.175 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 3.578 -36.614 4.677 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 3.218 -37.182 5.366 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 4.047 -35.923 5.158 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 10.969 -36.505 7.691 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 11.559 -36.397 8.466 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 10.433 -37.305 7.914 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 14.186 -31.504 9.377 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 15.046 -31.340 8.938 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 14.065 -32.471 9.307 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 14.013 -34.324 9.552 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 13.320 -35.015 9.617 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 14.665 -34.575 10.248 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 2.577 -18.810 2.939 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 3.082 -18.825 2.089 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 2.166 -17.938 2.952 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 11.529 -17.885 3.912 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 10.815 -17.709 3.282 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 11.383 -18.826 4.183 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 14.482 -21.249 4.304 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 15.424 -21.477 4.348 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 14.311 -20.771 5.148 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 6.409 -19.986 0.928 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 6.926 -19.907 1.761 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 6.311 -20.944 0.798 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 18.966 -24.459 36.531 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 18.341 -23.696 36.432 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 18.421 -25.163 36.947 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 13.766 -25.434 44.469 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 14.132 -25.960 45.203 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 12.865 -25.772 44.366 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 8.042 -30.626 51.025 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 8.348 -31.484 51.338 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 7.383 -30.356 51.671 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 17.155 -30.163 46.705 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 17.938 -29.662 46.450 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 16.659 -30.283 45.861 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 3.447 -32.506 37.618 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 3.065 -33.387 37.386 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 3.723 -32.130 36.754 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 13.862 -33.330 46.661 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 13.979 -33.829 45.811 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 14.787 -33.159 46.963 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 10.872 -31.306 43.768 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 10.207 -31.563 44.442 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 11.700 -31.189 44.285 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 8.289 -28.072 43.289 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 7.887 -28.777 43.852 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 9.034 -27.748 43.814 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 8.844 -29.629 41.074 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.539 -28.992 41.761 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 9.550 -30.129 41.514 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 14.720 -26.585 38.846 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 15.449 -26.181 39.339 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 14.724 -26.115 37.986 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 1.669 -26.393 40.805 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 1.346 -27.129 41.338 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 2.030 -26.821 39.999 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 13.654 -35.539 49.183 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 13.577 -34.620 49.511 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 13.559 -35.456 48.229 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 7.532 -30.109 44.911 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 7.998 -30.932 45.163 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 6.580 -30.370 44.889 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 12.094 -24.071 40.906 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 11.150 -23.836 41.038 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 12.065 -24.984 40.551 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 11.878 -27.655 42.356 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 11.893 -28.611 42.136 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 11.882 -27.634 43.338 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 14.259 -27.592 46.215 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 14.709 -28.260 45.687 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 14.608 -27.731 47.125 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 7.001 -25.707 42.600 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.049 -25.943 42.597 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 7.454 -26.533 42.870 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 13.102 -22.019 39.385 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 12.861 -22.761 39.982 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 13.830 -22.379 38.841 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 5.356 -28.002 39.864 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 5.046 -28.673 40.521 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 6.108 -28.441 39.421 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 10.379 -21.642 39.064 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 10.031 -22.115 39.844 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 11.349 -21.651 39.192 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 16.595 -24.099 34.322 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 16.840 -23.362 34.920 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 15.954 -24.618 34.840 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 12.603 -19.821 36.655 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.109 -20.649 36.538 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 12.197 -19.207 36.001 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 4.881 -30.856 44.583 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 4.332 -31.661 44.498 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 4.562 -30.277 43.882 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 10.965 -34.097 46.594 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 11.914 -33.950 46.432 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 10.725 -34.832 45.984 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 13.370 -32.777 49.340 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 13.573 -32.810 48.385 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 13.588 -31.858 49.600 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 10.224 -24.493 35.678 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 10.585 -24.465 34.769 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 10.463 -23.613 36.054 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 7.253 -29.881 38.896 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 6.677 -30.672 38.914 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 7.741 -29.925 39.751 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 3.161 -32.913 43.765 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 2.543 -32.568 43.109 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 3.642 -33.628 43.288 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 -0.509 -32.431 36.341 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 -0.600 -31.670 35.707 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 -0.409 -33.211 35.763 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 13.236 -31.105 45.110 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 13.450 -31.910 45.626 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 14.098 -30.826 44.734 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 5.479 -32.212 39.526 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 4.759 -32.328 38.869 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 5.725 -33.132 39.772 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 11.766 -27.500 45.089 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 12.584 -27.536 45.637 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 11.089 -27.931 45.644 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 6.011 -35.004 39.971 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 6.412 -35.623 39.332 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.811 -35.557 40.742 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 12.161 -29.847 47.296 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 12.529 -30.288 46.506 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 11.286 -29.525 47.002 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 15.534 -31.508 38.754 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 14.674 -31.947 38.907 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 15.294 -30.656 38.325 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 19.952 -22.230 40.705 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 20.212 -21.476 41.241 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 19.319 -21.853 40.049 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 15.576 -28.572 48.403 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 16.200 -29.205 48.006 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 15.008 -29.122 48.977 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 9.446 -23.322 41.116 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 8.622 -23.628 40.675 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.199 -23.243 42.045 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 6.877 -24.086 40.434 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 6.117 -23.524 40.631 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 6.920 -24.711 41.198 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 18.225 -20.984 39.054 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 18.300 -20.907 38.081 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 17.592 -20.287 39.302 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.234 -26.620 39.919 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 12.223 -26.958 40.852 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 13.177 -26.702 39.642 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 4.410 -26.252 41.838 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 3.484 -26.043 41.621 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 4.709 -26.810 41.099 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 10.630 -32.903 49.088 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 11.561 -32.877 49.390 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 10.649 -33.500 48.314 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 5.386 -25.426 38.483 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 6.029 -24.838 38.924 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 5.480 -26.271 38.951 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 9.098 -30.750 48.493 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 8.586 -30.561 49.311 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 9.691 -31.496 48.753 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 4.972 -22.562 36.376 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 4.679 -23.058 37.149 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 5.902 -22.850 36.248 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 3.484 -26.256 36.630 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 2.694 -25.678 36.741 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 4.186 -25.799 37.137 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 15.302 -25.167 36.557 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 15.276 -24.324 37.060 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 16.143 -25.589 36.838 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 7.617 -23.341 36.217 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 8.421 -23.878 36.155 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 7.893 -22.459 35.896 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 2.826 -27.826 38.771 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 2.896 -27.360 37.907 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 3.758 -27.956 39.045 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 18.811 -27.320 39.719 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 19.610 -26.783 39.492 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 19.120 -27.924 40.399 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 16.214 -22.302 40.932 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 17.080 -22.619 41.221 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 15.572 -22.868 41.430 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 17.468 -26.513 37.505 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 17.293 -27.324 36.971 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 17.870 -26.856 38.340 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 14.851 -29.125 37.736 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 15.466 -28.936 36.999 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 14.739 -28.265 38.182 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 11.901 -30.240 41.517 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 11.592 -30.729 42.316 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 12.588 -30.806 41.141 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 15.854 -30.622 44.348 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 15.852 -31.610 44.254 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 16.214 -30.304 43.484 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 13.520 -29.986 49.607 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 13.053 -29.414 50.225 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 12.986 -29.930 48.774 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 1.992 -34.708 36.935 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 1.304 -34.751 36.247 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 1.569 -35.114 37.723 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 14.539 -23.992 42.253 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 14.425 -24.446 43.119 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 13.645 -24.007 41.860 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 16.779 -37.530 51.476 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 17.503 -37.527 50.811 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 17.229 -37.413 52.314 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 3.857 -35.016 42.209 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 3.334 -34.568 41.505 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 3.531 -35.945 42.190 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 9.689 -28.986 46.485 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 8.935 -29.178 45.895 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 9.440 -29.421 47.334 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 1.341 -24.771 37.311 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 0.952 -23.930 37.022 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 0.810 -25.015 38.102 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 10.593 -21.891 36.398 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 10.420 -21.730 37.357 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 9.893 -21.385 35.942 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 16.168 -19.550 40.306 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 16.199 -20.457 40.683 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 15.309 -19.521 39.830 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 7.785 -21.458 -7.261 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 8.260 -21.677 -8.097 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 6.886 -21.273 -7.545 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 14.967 -18.014 -5.756 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 14.042 -17.852 -5.470 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 15.287 -17.146 -6.021 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 8.497 -19.376 -2.938 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 8.637 -19.474 -3.910 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 9.128 -19.988 -2.549 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 10.981 -17.900 -2.729 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 11.255 -17.973 -1.794 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 10.024 -18.074 -2.711 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 6.188 -19.694 5.689 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 5.211 -19.606 5.661 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 6.496 -18.817 5.998 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 13.885 -17.184 2.739 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 13.087 -17.485 3.230 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 13.520 -16.621 2.024 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 13.276 -9.096 12.511 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 13.677 -9.902 12.121 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 13.540 -8.390 11.917 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 14.098 -11.444 11.370 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 14.631 -12.224 11.590 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 13.169 -11.754 11.477 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 8.097 -15.157 10.926 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 8.461 -14.633 10.176 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 8.147 -14.544 11.687 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 14.060 -15.073 5.951 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 13.737 -15.993 6.062 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 14.995 -15.175 5.671 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 6.073 -11.986 11.940 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 5.948 -11.032 11.874 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 5.977 -12.305 11.008 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 6.351 -18.358 14.793 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 6.439 -17.408 14.568 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 6.287 -18.366 15.764 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 6.737 -15.652 14.228 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 6.400 -15.191 15.025 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 7.306 -14.989 13.798 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 16.707 -13.038 14.686 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 15.814 -13.353 14.930 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 16.744 -13.147 13.723 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 11.876 -10.048 14.649 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 12.207 -9.553 15.404 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 12.375 -9.684 13.884 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 4.631 -13.515 13.822 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 5.168 -13.443 14.629 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 5.097 -12.954 13.173 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 19.050 -16.673 2.694 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 18.085 -16.823 2.776 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 19.350 -16.556 3.617 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 12.269 -15.824 0.973 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 12.017 -16.708 0.616 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 12.078 -15.217 0.250 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 8.151 -13.361 13.051 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 8.690 -12.643 13.473 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 7.394 -12.880 12.645 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 5.730 -12.747 9.347 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 5.560 -12.377 8.478 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 5.250 -13.608 9.338 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 11.921 -12.598 8.590 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 12.776 -12.124 8.586 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 11.813 -12.900 7.654 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 13.878 -12.494 18.804 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 13.830 -13.445 18.612 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 14.837 -12.318 18.872 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 14.809 -14.282 8.467 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 14.563 -14.578 7.569 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 14.805 -13.304 8.404 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 5.889 -14.090 16.433 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 6.392 -14.452 17.202 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 4.951 -14.293 16.649 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 12.914 -14.251 13.091 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 13.636 -14.402 12.438 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 12.310 -13.629 12.635 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 6.843 -17.197 6.712 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 5.963 -17.293 7.147 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 7.052 -16.260 6.807 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 9.343 -13.476 9.134 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 8.817 -12.834 8.648 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 10.266 -13.279 8.871 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 5.641 -16.696 11.852 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 5.808 -16.312 12.739 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 6.097 -16.090 11.243 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 19.794 -12.496 11.692 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 20.670 -12.889 11.566 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 19.885 -11.969 12.519 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 11.908 -14.454 3.435 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 11.860 -14.891 2.566 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 12.745 -14.752 3.803 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 11.793 -13.529 6.062 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 12.609 -14.068 6.095 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 11.507 -13.591 5.130 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 7.327 -11.876 17.939 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 8.152 -12.155 17.493 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 6.639 -12.414 17.518 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 16.353 -12.399 6.267 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 16.755 -11.736 6.866 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 15.467 -12.057 6.098 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 19.575 -11.649 18.297 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 19.467 -11.989 17.380 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 19.426 -12.452 18.865 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 3.426 -15.004 17.187 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 3.068 -14.781 18.071 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 3.469 -15.984 17.193 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 14.379 -19.621 6.507 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 15.241 -19.205 6.277 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 13.738 -18.880 6.466 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 12.706 -17.437 6.343 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 11.949 -17.340 6.953 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 12.288 -17.531 5.458 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 9.958 -14.685 14.684 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 9.477 -14.192 13.996 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 9.945 -14.091 15.453 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 4.189 -15.016 9.016 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 3.268 -15.036 9.350 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 4.272 -15.842 8.502 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 17.076 -10.510 8.151 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 17.816 -11.036 8.554 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 17.449 -9.628 8.041 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 5.787 -19.396 12.380 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 5.989 -19.244 13.333 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 5.591 -18.499 12.037 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 11.606 -12.524 11.334 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 10.719 -12.187 11.511 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 11.637 -12.616 10.354 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 9.767 -12.764 16.916 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 9.962 -13.628 17.339 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 10.404 -12.139 17.344 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 9.723 -11.650 14.360 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 10.497 -11.040 14.331 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 9.648 -11.889 15.305 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 14.809 -14.959 17.881 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 14.652 -14.698 16.951 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 15.585 -14.429 18.149 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.142 -13.821 15.464 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 13.669 -14.089 14.642 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 13.649 -13.052 15.779 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 6.147 -17.763 17.481 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 5.968 -18.403 18.200 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 5.250 -17.510 17.167 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 7.136 -15.978 21.374 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 7.832 -15.351 21.702 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 7.550 -16.845 21.448 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 8.827 -17.479 16.558 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 7.918 -17.624 16.883 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 9.076 -16.612 16.926 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 22.172 -10.087 9.474 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 22.384 -10.158 10.428 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 22.174 -9.137 9.305 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 14.556 -11.536 8.678 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 15.409 -11.089 8.485 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 14.402 -11.354 9.630 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 16.640 -12.939 18.530 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 17.424 -13.323 18.996 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 17.021 -12.484 17.770 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 16.741 -14.937 5.343 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 16.670 -13.993 5.635 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 17.679 -15.150 5.463 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 14.772 -14.324 11.131 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 14.781 -14.285 10.145 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 15.709 -14.161 11.387 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 3.421 -17.723 17.165 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 2.461 -17.677 16.945 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 3.464 -18.329 17.930 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 17.218 -23.938 8.506 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 17.878 -24.225 9.174 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 17.474 -23.016 8.296 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 2.682 -15.371 14.537 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 2.879 -15.155 15.474 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 3.298 -14.797 14.030 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 19.488 -16.586 5.466 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 19.127 -16.905 6.313 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 20.062 -15.826 5.722 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 2.745 -18.576 14.075 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 1.847 -18.858 14.362 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 2.901 -17.754 14.560 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 3.123 -20.163 9.702 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 3.084 -19.233 10.019 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 2.193 -20.426 9.614 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 3.854 -19.072 0.566 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 4.797 -19.275 0.750 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 3.764 -19.223 -0.384 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 16.477 -16.993 3.583 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 16.472 -16.182 4.138 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 15.565 -17.042 3.221 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 8.730 -17.970 4.790 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 9.600 -17.765 5.153 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 8.106 -17.667 5.478 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 11.676 -8.422 27.377 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 10.850 -7.936 27.293 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 12.066 -8.392 26.470 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 12.571 -10.973 26.886 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 12.850 -10.768 25.985 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 12.177 -10.141 27.207 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 4.065 -9.463 29.088 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 4.717 -9.973 28.553 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 4.467 -8.592 29.180 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 3.725 -13.259 23.602 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 3.677 -12.319 23.386 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 2.782 -13.549 23.619 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 2.767 -12.538 27.724 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 2.096 -13.256 27.619 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 2.835 -12.414 28.689 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 12.681 -12.630 28.985 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 12.676 -12.063 28.176 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 11.895 -12.330 29.485 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 12.764 -6.631 20.496 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 13.612 -6.964 20.852 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 12.907 -5.687 20.388 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 7.904 -11.313 29.820 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 7.149 -11.718 30.292 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 7.521 -11.016 28.977 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 12.478 -8.690 24.771 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 13.336 -8.477 24.352 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 11.851 -8.748 24.021 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 11.507 -11.180 18.256 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 11.764 -10.230 18.341 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 12.333 -11.669 18.479 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 16.996 -12.262 27.188 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 17.633 -12.062 27.900 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 17.357 -13.055 26.758 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 14.982 -9.583 28.526 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 14.149 -9.391 29.001 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 15.452 -10.205 29.114 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 14.545 -13.584 27.091 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 15.239 -12.912 27.241 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 13.912 -13.442 27.822 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 4.574 -9.770 25.415 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 3.683 -9.836 25.025 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 5.156 -9.637 24.648 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 5.535 -12.540 30.581 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 4.652 -12.142 30.413 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 5.657 -13.180 29.835 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 15.193 -8.271 24.035 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 15.365 -8.984 24.695 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 15.979 -7.684 24.111 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 5.978 -13.661 32.987 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 5.929 -13.244 32.097 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 5.264 -13.219 33.496 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 5.139 -9.585 22.584 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 4.188 -9.770 22.681 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 5.382 -10.016 21.732 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 12.426 -8.667 18.669 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 12.303 -7.984 19.358 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 13.208 -8.355 18.164 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 11.807 -13.140 34.591 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 10.978 -13.161 35.117 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 11.783 -12.270 34.145 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 2.309 -17.197 22.179 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 3.067 -16.578 22.262 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 1.641 -16.833 22.772 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 14.131 -12.193 31.382 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 14.962 -11.845 30.993 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 13.606 -12.471 30.607 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 4.899 -13.156 26.173 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 4.671 -13.276 25.230 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 4.059 -12.854 26.586 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 6.247 -10.591 20.242 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 7.145 -10.344 20.514 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 6.377 -11.059 19.397 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 6.884 -15.336 18.619 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 6.964 -15.373 19.592 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 6.639 -16.244 18.365 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 10.380 -9.051 22.719 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 10.646 -8.952 21.797 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 9.426 -8.809 22.720 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 15.129 -9.105 31.750 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 14.900 -9.530 32.598 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 14.277 -8.998 31.299 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 5.862 -10.854 27.568 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 5.494 -10.360 26.798 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 5.848 -11.782 27.275 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 3.776 -12.333 34.058 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 2.916 -12.439 34.526 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 3.590 -11.679 33.373 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 8.936 -10.755 34.793 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 8.012 -10.520 34.906 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 8.999 -11.669 35.157 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 18.540 -8.026 35.156 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 18.144 -7.217 34.827 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 17.814 -8.693 35.092 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 12.592 -9.288 29.912 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 12.235 -8.865 29.105 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 11.955 -10.003 30.109 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 7.646 -8.413 22.422 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 7.354 -7.595 22.010 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 6.813 -8.892 22.619 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 9.249 -14.524 22.193 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 10.171 -14.762 22.315 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 9.240 -13.540 22.275 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 16.364 -14.872 25.489 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 15.946 -15.147 24.665 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.618 -14.589 26.053 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 4.446 -15.474 22.032 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 5.413 -15.542 21.876 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 4.352 -14.692 22.621 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 11.382 -10.550 33.672 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 11.418 -9.668 33.285 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 10.505 -10.577 34.128 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 -3.760 -13.697 36.481 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 -4.607 -13.633 36.927 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 -3.718 -14.631 36.180 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 9.534 -11.823 22.329 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 9.816 -11.064 22.862 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 9.403 -11.449 21.432 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 8.414 -14.975 33.446 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 8.602 -15.645 32.756 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 7.612 -14.512 33.121 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 9.181 -10.724 19.808 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 8.534 -11.089 19.176 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 10.032 -10.771 19.331 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 14.614 -7.497 17.519 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 14.768 -7.059 16.679 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 15.249 -7.071 18.133 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 10.996 -15.783 34.268 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 10.065 -15.548 34.109 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 11.456 -14.925 34.303 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 10.653 -11.328 30.404 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 10.636 -11.492 31.357 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 9.701 -11.289 30.150 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 16.556 -9.861 35.168 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 16.835 -10.449 35.893 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 15.727 -10.257 34.841 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 14.187 -10.788 33.783 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 13.235 -10.719 33.979 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 14.229 -11.413 33.025 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 5.882 -16.086 34.363 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 6.813 -16.018 34.622 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 5.736 -15.305 33.796 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 9.205 -13.354 35.536 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 8.902 -13.861 36.329 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 8.867 -13.879 34.780 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 15.148 -14.801 37.824 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 14.693 -14.740 36.951 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 15.481 -15.734 37.857 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 4.578 -17.685 36.103 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 5.024 -17.215 35.358 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 4.948 -17.260 36.904 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 11.470 -18.394 34.669 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 11.306 -17.426 34.590 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 11.822 -18.648 33.793 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 17.522 -6.866 23.754 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 18.476 -6.825 23.959 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 17.353 -6.041 23.245 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 20.729 -9.632 22.786 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 19.854 -9.496 22.375 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 21.145 -10.339 22.236 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 15.087 -7.831 21.310 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 15.098 -7.889 22.293 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 15.021 -8.751 21.022 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 15.809 -10.047 26.023 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 15.339 -9.823 26.865 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 16.231 -10.911 26.213 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 1.580 -9.952 27.880 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 1.895 -10.753 27.427 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 2.391 -9.549 28.239 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 16.405 -11.110 30.344 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 17.341 -11.166 30.062 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 16.364 -10.298 30.895 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 17.557 -14.030 36.570 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 16.722 -14.209 37.041 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 17.989 -14.904 36.511 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 2.195 -16.510 35.290 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 1.455 -16.776 35.882 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 2.997 -16.649 35.830 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 3.341 -14.631 31.378 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 3.589 -13.694 31.349 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 4.196 -15.110 31.286 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 2.990 -11.640 30.345 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 3.271 -10.762 29.999 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 2.011 -11.572 30.400 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 2.425 -19.956 23.061 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 1.647 -20.489 22.804 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 2.311 -19.117 22.577 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 15.554 -22.993 38.249 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 16.188 -22.601 37.604 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 15.906 -22.721 39.124 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 17.605 -12.557 39.829 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 17.011 -13.321 39.765 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 17.193 -11.997 40.519 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 13.958 -14.747 35.411 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 14.771 -14.583 34.873 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 13.307 -14.101 35.065 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 8.094 -15.059 37.280 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 7.197 -15.390 37.470 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 8.681 -15.614 37.849 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 -0.156 -17.186 36.520 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 -0.924 -17.789 36.489 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 -0.466 -16.387 36.052 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 15.323 -14.317 40.527 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 15.084 -15.206 40.862 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 15.171 -14.381 39.561 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 19.993 -13.746 40.515 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 19.137 -13.315 40.298 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 20.588 -12.994 40.736 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 9.832 -16.506 38.768 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 10.712 -16.140 38.521 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 9.981 -17.454 38.828 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 1.253 -12.556 35.130 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 0.388 -12.542 35.579 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 1.046 -12.252 34.216 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 17.923 -11.417 37.274 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 17.865 -12.314 36.877 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 17.842 -11.581 38.235 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 21.849 -11.713 40.713 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 22.648 -12.291 40.707 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 21.798 -11.366 39.795 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 15.771 -11.906 41.777 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 15.505 -12.783 41.422 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 15.173 -11.756 42.510 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 19.031 -16.317 35.922 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 18.860 -16.443 34.958 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 19.838 -15.785 35.955 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 16.159 -17.275 38.022 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 15.706 -17.879 38.626 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 17.040 -17.680 37.894 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 20.717 -20.038 34.430 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 19.911 -19.991 34.986 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 20.671 -20.931 34.023 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 3.961 -13.783 36.576 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 3.004 -13.634 36.597 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 4.249 -13.349 35.755 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 13.778 -19.384 39.080 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 13.445 -20.268 39.351 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 13.423 -19.272 38.166 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 5.458 -15.675 37.869 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 4.966 -15.000 37.343 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 5.555 -15.273 38.737 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 12.321 -15.721 37.929 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 13.112 -15.242 38.212 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 12.378 -15.724 36.962 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 23.266 -39.687 11.886 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 23.392 -40.597 12.219 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.153 -39.304 11.899 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 23.496 -42.274 12.913 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 23.546 -42.969 12.249 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 23.736 -42.728 13.754 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 26.344 -44.688 19.079 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 26.444 -44.488 18.120 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 26.508 -43.827 19.521 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 21.688 -43.748 18.905 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 22.535 -44.239 18.900 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 21.368 -43.838 19.825 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 23.790 -43.642 15.253 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 23.585 -44.588 15.449 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 23.069 -43.147 15.700 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 22.420 -37.318 10.939 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 23.387 -37.145 10.919 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 22.359 -38.262 11.209 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 26.284 -43.888 16.464 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 26.912 -43.672 15.772 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 25.408 -43.749 16.047 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 21.585 -42.493 16.480 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 21.737 -42.908 17.360 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 20.604 -42.404 16.430 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 19.300 -41.863 19.738 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 19.878 -42.151 19.014 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 18.634 -41.297 19.300 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 23.072 -46.047 16.270 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 22.467 -46.788 16.358 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 23.399 -45.895 17.183 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 27.146 -37.878 13.281 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 28.091 -38.044 13.226 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 27.024 -37.480 14.167 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.692 -40.699 14.359 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 21.634 -41.282 15.146 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 22.217 -41.216 13.718 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 18.899 -42.299 16.784 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 18.378 -43.118 16.924 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 18.325 -41.590 17.133 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 25.863 -45.900 21.497 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 26.147 -45.667 20.586 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 26.531 -45.474 22.068 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 20.055 -36.934 9.563 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 20.252 -37.594 8.889 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 20.870 -36.907 10.116 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.096 -37.088 11.614 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 25.262 -36.130 11.654 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 25.830 -37.479 12.138 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 26.724 -36.439 15.627 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 25.783 -36.607 15.832 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 26.705 -35.645 15.038 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 26.436 -34.230 14.171 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 26.348 -33.334 14.541 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 25.896 -34.206 13.351 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 22.107 -37.996 14.928 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 22.189 -38.860 14.467 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.072 -38.240 15.877 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 17.705 -46.906 29.478 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 16.916 -46.948 28.899 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 18.170 -46.079 29.187 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 21.759 -46.534 23.331 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 22.169 -46.611 24.218 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 20.816 -46.333 23.525 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.088 -43.848 25.859 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.736 -43.142 25.734 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 20.715 -43.675 26.767 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 22.459 -46.204 26.009 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.214 -46.412 26.935 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 21.999 -45.355 25.832 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 26.239 -42.976 27.371 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 26.795 -42.188 27.343 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 25.319 -42.625 27.296 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 22.134 -41.809 29.647 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 21.682 -41.035 30.053 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 21.414 -42.260 29.128 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.159 -46.660 26.021 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 24.218 -46.436 25.850 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 25.120 -47.311 26.725 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 23.794 -41.796 27.480 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 24.070 -40.866 27.316 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 23.306 -41.757 28.333 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 22.859 -43.625 33.070 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 22.903 -43.932 32.134 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 23.731 -43.832 33.430 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 22.880 -44.342 30.446 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.811 -44.447 30.142 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 22.626 -43.448 30.128 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 20.412 -44.585 33.816 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 20.625 -44.698 34.776 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 21.244 -44.235 33.429 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.884 -37.259 25.557 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 26.754 -37.231 25.108 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.412 -36.470 25.207 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 21.475 -41.303 33.508 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 21.872 -40.670 32.897 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 21.957 -42.139 33.333 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 24.062 -43.757 21.512 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 24.769 -43.183 21.160 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 24.513 -44.603 21.690 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.880 -34.906 24.635 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 25.796 -34.577 24.542 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 24.339 -34.209 24.213 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 19.504 -47.105 33.583 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 20.083 -47.527 34.231 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 19.845 -46.181 33.523 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.025 -44.965 36.378 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.406 -45.020 37.122 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 21.889 -44.774 36.801 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 27.705 -44.160 22.699 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 27.354 -44.271 23.618 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 28.652 -44.301 22.791 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 21.460 -45.937 28.578 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 21.915 -45.447 29.291 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 20.626 -45.429 28.432 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 16.993 -45.969 33.652 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 17.870 -46.392 33.570 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 16.591 -46.406 34.433 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 21.087 -46.851 19.338 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 21.766 -47.188 19.952 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 21.437 -45.999 19.043 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 24.425 -39.325 26.574 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 23.881 -39.537 25.786 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 25.080 -38.669 26.240 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 25.396 -35.434 33.510 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 24.876 -34.667 33.178 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 26.014 -35.625 32.795 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 25.776 -40.137 22.033 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 25.371 -40.372 22.878 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 25.260 -39.349 21.732 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 26.467 -42.521 20.799 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 26.986 -42.984 21.492 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 26.343 -41.615 21.158 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 21.402 -44.389 21.579 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 21.471 -45.166 22.166 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 22.310 -44.007 21.583 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 24.536 -37.907 21.240 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 23.812 -37.362 21.620 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 25.096 -37.259 20.766 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 18.977 -36.580 35.099 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 18.419 -36.867 35.833 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 18.462 -35.850 34.670 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 21.882 -41.009 36.187 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 21.067 -41.054 36.726 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 21.564 -41.108 35.261 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 27.728 -37.855 21.598 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 27.264 -38.712 21.615 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 27.169 -37.290 21.020 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 23.762 -45.588 18.859 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 24.693 -45.277 18.909 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 23.667 -46.179 19.637 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 18.154 -49.409 39.561 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 19.049 -49.796 39.447 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 18.240 -48.502 39.199 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 26.801 -44.653 25.203 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 26.610 -44.063 25.957 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.293 -45.471 25.407 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 25.619 -33.765 21.428 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 25.425 -33.476 22.342 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 24.973 -33.262 20.880 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 18.680 -44.272 20.938 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 19.558 -44.462 21.336 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 18.817 -43.426 20.457 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 20.681 -50.421 39.242 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.341 -50.348 38.548 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 21.193 -50.519 40.051 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 20.013 -48.246 28.697 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 19.159 -47.797 28.844 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 20.657 -47.512 28.615 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.485 -44.441 29.609 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.704 -43.917 28.810 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 26.249 -45.009 29.735 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.050 -35.158 30.157 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 24.263 -35.859 29.497 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 24.503 -34.357 29.805 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 24.698 -36.948 28.189 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 24.366 -37.832 27.964 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 25.293 -36.726 27.453 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 28.209 -36.868 24.113 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 27.952 -37.428 23.352 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.740 -36.159 23.711 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 21.147 -42.966 39.295 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 20.617 -42.391 38.710 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 21.134 -42.498 40.165 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 16.561 -41.657 47.558 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 16.751 -41.416 46.641 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 16.629 -40.811 48.045 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 20.491 -38.834 41.738 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 20.456 -37.987 42.202 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 20.409 -38.589 40.792 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 17.972 -46.481 41.369 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 18.176 -46.557 40.418 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 17.393 -47.229 41.545 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 24.019 -39.319 35.685 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 23.741 -38.449 36.041 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.248 -39.899 35.849 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 21.033 -45.708 39.222 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 20.887 -44.761 39.429 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 21.958 -45.744 38.927 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 22.838 -36.956 36.366 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 22.143 -37.045 37.031 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 22.362 -36.644 35.559 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 23.190 -44.312 37.968 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 22.620 -43.725 38.506 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 23.863 -43.706 37.587 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 16.425 -51.352 38.828 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 15.581 -50.881 38.759 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 17.034 -50.696 39.240 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 20.678 -41.649 41.597 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 20.627 -40.689 41.794 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 20.018 -42.052 42.183 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.341 -42.108 36.824 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.886 -41.351 36.576 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 23.426 -41.811 36.643 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 16.558 -39.406 45.698 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 15.583 -39.427 45.609 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 16.706 -39.159 46.634 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 20.932 -38.269 48.105 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 21.211 -39.163 47.885 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 21.737 -37.746 48.051 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 21.480 -36.080 34.206 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 21.639 -36.442 33.306 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 20.553 -36.350 34.416 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 20.353 -27.747 11.865 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 21.248 -28.136 11.884 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 20.389 -27.038 12.547 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 23.250 -22.631 8.807 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 24.046 -22.466 8.288 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 23.576 -22.691 9.737 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 18.833 -29.475 10.303 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 19.331 -30.316 10.156 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 19.361 -29.000 10.976 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 20.350 -31.683 9.898 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 20.543 -32.191 9.106 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 20.781 -32.192 10.620 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.342 -31.050 12.090 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 23.201 -30.178 11.664 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.883 -30.851 12.862 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 20.795 -25.920 13.908 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 20.529 -25.749 14.843 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 21.767 -25.814 13.921 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 22.946 -28.386 11.028 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.328 -27.494 11.129 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 22.495 -28.354 10.163 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 23.220 -25.481 11.542 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 23.272 -25.699 12.500 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 23.483 -24.536 11.504 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 21.535 -24.784 9.454 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 22.023 -24.055 9.023 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 22.108 -25.041 10.209 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 23.695 -24.424 16.750 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 22.746 -24.150 16.620 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 24.034 -23.803 17.428 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 21.669 -30.401 16.395 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 21.739 -29.430 16.578 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 20.892 -30.479 15.804 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 13.819 -21.621 12.242 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 13.514 -21.378 13.133 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 13.788 -20.775 11.744 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 26.125 -22.337 12.661 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 26.243 -23.189 13.127 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 26.681 -21.710 13.164 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.317 -19.249 7.502 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 21.332 -19.675 8.387 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 20.945 -19.923 6.924 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 24.690 -34.310 12.074 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 24.348 -33.746 11.368 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 23.888 -34.710 12.475 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 21.043 -27.440 9.150 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 21.264 -26.497 9.004 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 20.614 -27.450 10.028 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 19.330 -30.798 14.902 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.186 -29.833 14.773 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 19.170 -31.192 14.020 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 18.258 -35.070 8.477 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 18.913 -35.723 8.793 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 18.206 -34.415 9.205 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 26.289 -24.823 13.889 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 26.789 -25.631 13.741 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 26.799 -24.349 14.590 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 18.965 -25.055 10.326 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 19.844 -24.949 9.894 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 19.124 -24.801 11.243 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 19.098 -28.068 15.204 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 19.428 -27.555 15.975 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 19.211 -27.465 14.461 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.740 -30.426 21.805 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 23.954 -31.055 21.086 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.870 -30.045 21.535 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 23.607 -25.462 14.212 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 24.554 -25.278 14.044 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 23.456 -25.106 15.116 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 19.818 -22.761 14.200 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 19.847 -23.585 13.704 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 20.335 -22.963 15.016 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 22.390 -35.554 13.011 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 22.313 -36.193 12.267 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 22.132 -36.072 13.791 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 20.863 -18.918 4.597 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 20.457 -18.059 4.843 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 21.774 -18.845 4.913 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 30.731 -21.399 18.131 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 31.575 -21.124 18.543 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 30.313 -21.974 18.796 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 26.585 -20.943 18.601 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.879 -21.631 18.686 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 26.305 -20.233 19.214 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 24.106 -30.716 17.576 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 23.236 -30.536 17.154 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 24.702 -30.894 16.825 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 28.525 -28.263 21.919 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 28.034 -28.958 21.408 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 28.665 -27.559 21.278 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 23.910 -33.969 16.633 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 22.965 -33.740 16.631 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 23.918 -34.946 16.538 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 25.835 -32.123 15.916 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 26.531 -32.281 16.567 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 25.131 -32.769 16.152 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 22.155 -27.854 17.179 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 21.502 -27.143 16.972 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 22.851 -27.398 17.685 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 24.071 -36.671 16.396 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 23.535 -36.970 15.635 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 23.848 -37.304 17.103 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 24.062 -32.308 19.805 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 24.111 -31.727 19.012 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 23.337 -32.932 19.599 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 26.415 -34.627 17.770 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 26.743 -35.250 17.087 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.513 -34.397 17.471 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 26.198 -36.070 20.142 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 26.332 -35.681 19.254 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 26.017 -35.289 20.718 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 17.182 -27.314 10.153 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 17.663 -28.165 10.234 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 17.885 -26.638 10.182 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 21.583 -33.124 11.882 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 21.898 -33.905 12.385 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 22.277 -32.439 12.034 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 19.046 -32.728 12.777 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 18.765 -33.602 13.095 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 19.984 -32.857 12.522 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.760 -22.737 11.444 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 23.270 -21.976 11.808 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.666 -22.642 11.833 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.835 -23.534 15.683 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 27.591 -23.887 16.562 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 28.211 -22.661 15.874 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 28.543 -20.795 16.649 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 29.369 -21.042 17.136 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 27.847 -20.786 17.347 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 20.604 -19.001 12.901 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 21.429 -19.500 12.757 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 19.927 -19.689 13.039 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 23.090 -19.981 11.989 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 23.634 -20.003 12.803 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 23.400 -19.168 11.522 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 18.771 -21.350 10.446 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 19.704 -21.128 10.249 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 18.324 -21.286 9.579 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 21.447 -20.718 9.796 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 21.997 -21.432 9.414 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 21.970 -20.398 10.561 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 18.864 -20.605 5.426 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 18.405 -20.931 4.619 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 19.631 -20.101 5.078 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 30.123 -29.421 25.808 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 30.943 -28.963 25.597 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 29.857 -29.846 24.953 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 29.205 -22.354 22.114 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 28.699 -23.062 22.566 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 29.081 -22.544 21.159 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 27.424 -20.642 28.799 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 27.424 -20.901 27.846 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 28.346 -20.393 28.978 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 22.640 -32.120 27.496 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 22.268 -31.661 26.708 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 22.741 -33.053 27.204 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 29.398 -30.843 28.068 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 28.962 -30.078 28.494 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 29.809 -30.466 27.264 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 25.541 -28.774 18.897 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 25.057 -27.922 18.894 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 24.933 -29.394 18.447 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 26.935 -25.578 33.099 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 27.052 -26.192 32.352 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.420 -24.824 32.713 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 26.170 -27.175 30.625 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 25.443 -27.611 31.123 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 25.748 -26.410 30.219 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 28.283 -34.940 26.232 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 28.443 -35.834 25.891 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.943 -34.446 25.455 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 35.358 -19.249 23.900 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 35.976 -19.143 24.627 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 34.624 -18.637 24.116 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 27.598 -27.028 24.196 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 26.821 -26.659 23.739 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 28.049 -27.559 23.503 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 27.421 -32.777 19.596 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 26.790 -33.048 20.296 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 27.218 -33.376 18.850 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 27.599 -21.411 26.154 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 27.505 -22.339 25.902 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 27.723 -20.943 25.300 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 28.989 -30.457 31.045 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 29.489 -30.988 30.409 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 28.612 -29.734 30.507 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 27.347 -21.500 31.408 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 27.128 -21.363 30.463 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 28.312 -21.410 31.440 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 23.989 -27.763 32.239 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 24.241 -27.511 33.148 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 23.223 -27.178 32.034 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 25.711 -25.732 22.397 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.098 -25.335 21.741 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 25.432 -26.676 22.445 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 21.919 -18.915 32.187 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 21.462 -19.338 32.944 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 22.656 -19.523 31.979 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 25.600 -23.494 32.131 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.169 -22.718 31.945 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 24.711 -23.112 32.275 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 31.628 -18.151 18.697 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 31.122 -18.253 17.856 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 32.162 -18.974 18.756 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 33.965 -19.982 21.648 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 34.672 -19.829 22.311 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 33.140 -19.889 22.157 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 25.007 -26.716 34.641 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 25.765 -26.289 34.182 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 25.422 -27.318 35.272 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 22.560 -34.629 26.288 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 21.960 -35.397 26.236 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 23.375 -34.928 25.841 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 29.562 -35.660 21.878 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 30.457 -35.958 21.681 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 28.996 -36.422 21.640 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 24.622 -30.411 28.220 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 24.970 -29.937 27.460 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 23.911 -30.974 27.848 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 21.043 -31.565 18.805 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.295 -32.502 18.791 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 21.289 -31.235 17.916 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 26.136 -31.310 25.544 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.368 -31.859 26.327 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 26.579 -30.454 25.716 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 25.196 -28.387 22.903 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.691 -29.051 22.380 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 25.547 -28.892 23.643 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 21.430 -29.612 20.674 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 21.222 -30.325 20.030 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 21.060 -28.820 20.276 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 23.059 -24.770 34.494 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 23.803 -25.402 34.574 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 22.404 -25.090 35.151 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 27.393 -32.711 27.597 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 27.792 -33.534 27.238 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 28.167 -32.148 27.821 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 24.351 -30.545 31.766 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 24.123 -29.602 31.895 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 25.274 -30.616 32.102 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 24.184 -26.365 18.632 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 24.077 -25.751 19.398 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 24.059 -25.788 17.849 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 27.626 -24.058 23.660 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 27.994 -24.826 24.123 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.859 -24.422 23.171 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 29.678 -19.926 30.693 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 30.571 -19.862 30.276 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 29.858 -19.848 31.655 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 33.137 -20.418 19.135 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 33.818 -20.981 18.756 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 33.464 -20.228 20.050 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 32.914 -15.974 32.771 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 32.427 -15.333 32.216 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 33.207 -16.655 32.142 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 29.355 -30.422 23.420 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 29.255 -31.242 22.896 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 29.106 -29.708 22.798 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 27.262 -33.478 24.182 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 26.922 -32.631 24.537 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 27.790 -33.214 23.397 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 33.059 -17.779 24.227 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 32.458 -18.479 23.897 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 33.072 -17.114 23.502 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 28.471 -23.577 34.424 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 29.323 -24.022 34.448 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 27.868 -24.238 34.029 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 28.596 -22.694 19.468 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 27.944 -21.995 19.266 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 28.231 -23.492 19.026 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 20.609 -22.333 36.966 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 19.921 -21.662 36.740 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 20.124 -23.184 36.944 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 27.029 -24.515 18.196 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 26.235 -24.024 18.528 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 26.724 -25.429 18.119 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 16.735 -28.511 35.796 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 17.178 -29.316 35.431 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 16.377 -28.071 35.016 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 27.430 -28.916 26.244 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 28.383 -29.142 26.202 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 27.344 -28.145 25.644 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 27.886 -28.781 29.099 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 27.302 -28.216 29.651 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 27.452 -28.790 28.225 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.402 -30.102 20.366 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 26.723 -29.626 19.831 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 27.413 -31.004 19.991 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 22.262 -31.527 30.236 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 22.558 -31.660 29.314 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 23.034 -31.113 30.680 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 25.341 -32.860 29.453 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 25.086 -31.925 29.327 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 26.096 -32.981 28.839 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 26.878 -30.927 32.743 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 27.037 -31.846 32.971 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 27.663 -30.673 32.207 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.603 -34.886 36.163 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.039 -34.995 35.297 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 24.062 -35.696 36.259 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 24.073 -33.304 32.356 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 24.189 -32.351 32.157 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 24.062 -33.731 31.478 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 21.603 -33.420 33.615 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 22.532 -33.285 33.330 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 21.594 -34.340 33.963 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 18.818 -24.525 32.672 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 18.507 -24.836 31.791 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 17.995 -24.443 33.201 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 22.043 -25.819 32.074 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 22.384 -25.209 32.754 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 21.103 -25.606 32.014 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 29.409 -19.305 33.314 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 28.960 -19.903 33.950 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 29.885 -18.656 33.894 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 30.441 -17.360 34.870 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 31.063 -17.195 35.595 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 30.271 -16.471 34.500 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.397 -19.669 33.166 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 26.813 -19.892 34.022 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 26.757 -20.342 32.547 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 32.213 -19.559 29.763 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 32.881 -20.113 29.350 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 32.727 -18.823 30.161 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 33.996 -17.655 30.770 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 34.853 -17.724 31.206 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 34.193 -17.168 29.931 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.889 -18.710 29.991 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.130 -19.124 30.455 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 26.346 -19.469 29.562 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 24.439 -32.393 23.586 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 24.033 -31.658 23.081 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 24.858 -31.952 24.352 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 28.879 -32.903 22.000 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 29.206 -33.825 21.947 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.545 -32.717 21.101 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 22.368 -36.860 31.710 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 22.921 -36.303 31.130 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 23.007 -37.481 32.125 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 24.264 -38.086 33.212 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 24.673 -37.256 33.515 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 24.273 -38.662 34.005 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 16.847 -30.146 41.894 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 17.285 -30.873 41.403 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 16.514 -29.564 41.204 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 20.987 -25.942 38.872 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.332 -25.049 39.085 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.233 -26.075 37.938 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 17.841 -33.827 42.325 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 17.095 -33.598 42.917 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 17.769 -33.185 41.589 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 17.742 -32.114 40.162 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 18.407 -32.399 39.525 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 16.932 -31.956 39.611 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 17.787 -30.623 34.365 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 17.701 -31.115 33.527 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 18.362 -31.194 34.911 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 21.852 -17.786 38.902 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 21.168 -18.033 39.549 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 21.825 -18.512 38.235 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 20.512 -22.638 33.633 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 20.555 -22.974 34.539 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 19.874 -23.240 33.183 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 19.376 -32.782 35.184 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 20.235 -32.876 34.731 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 18.790 -33.419 34.720 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 18.172 -37.087 44.250 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 18.659 -36.733 43.469 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 18.829 -37.614 44.720 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 23.870 -23.832 41.073 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 23.313 -23.548 40.325 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 23.466 -24.646 41.372 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 21.754 -19.759 36.998 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 21.585 -20.699 37.188 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 21.569 -19.675 36.043 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 21.140 -26.016 36.050 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 20.351 -25.435 36.145 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 20.798 -26.810 35.622 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 14.652 -17.061 40.836 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 15.227 -17.820 41.019 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 13.929 -17.434 40.308 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 17.296 -34.804 45.590 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 17.662 -35.517 45.030 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 16.679 -34.320 44.990 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 16.419 -32.755 47.321 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 16.773 -31.846 47.245 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 16.957 -33.277 46.695 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 20.737 -35.023 38.800 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 20.322 -34.550 38.069 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 21.667 -34.700 38.796 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 17.723 -35.359 48.251 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 17.598 -35.241 47.285 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 17.195 -34.651 48.643 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 19.545 -35.969 42.143 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 18.972 -35.174 42.270 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 19.918 -35.851 41.258 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 19.881 -37.542 39.337 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 19.139 -37.656 38.712 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.212 -36.636 39.151 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 21.900 -23.361 39.167 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 21.675 -22.918 38.323 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 21.240 -23.005 39.805 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 23.313 -34.059 38.450 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 24.074 -33.869 39.003 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 23.702 -34.265 37.570 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 31.489 -15.803 38.836 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 30.528 -15.952 38.667 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 31.889 -15.780 37.939 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 23.170 -22.506 32.941 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 22.200 -22.366 32.928 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 23.294 -23.208 33.619 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 22.789 -9.816 12.201 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 22.983 -10.706 12.558 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 22.298 -9.373 12.928 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 23.009 -14.732 2.430 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 23.467 -14.166 1.805 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 22.192 -15.003 1.952 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.197 -11.860 9.098 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 19.386 -11.979 10.053 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 20.045 -12.080 8.660 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 25.896 -17.238 8.990 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 25.584 -16.556 8.362 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 26.609 -17.677 8.526 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 21.733 -12.400 8.117 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 22.625 -12.801 8.161 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.851 -11.514 8.540 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 20.462 -16.598 11.706 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 19.765 -16.157 12.228 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 20.568 -17.477 12.142 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.369 -13.221 8.262 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 24.697 -14.076 7.911 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 25.025 -12.579 7.969 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 25.611 -14.636 16.875 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 25.053 -14.092 17.467 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 25.111 -14.658 16.034 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 21.413 -8.930 14.380 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 21.356 -8.759 15.338 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 20.890 -9.751 14.253 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 24.113 -17.643 10.981 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 23.578 -16.851 10.752 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 24.861 -17.615 10.342 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 29.885 -19.439 13.155 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 30.023 -18.984 12.317 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 30.598 -20.088 13.194 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 23.384 -13.027 10.888 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 23.120 -13.972 10.830 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 23.810 -12.852 10.031 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 25.364 -15.461 6.874 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 24.557 -15.489 6.298 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 26.092 -15.381 6.249 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 28.947 -13.648 19.069 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 28.867 -13.641 18.086 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 29.911 -13.527 19.235 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 19.109 -12.986 16.011 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 19.234 -13.846 16.477 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 18.259 -13.096 15.525 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 20.761 -15.290 0.986 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 20.268 -15.179 0.170 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.150 -15.790 1.570 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 23.343 -15.293 5.099 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 23.294 -15.151 4.126 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 22.493 -14.944 5.432 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 21.043 -14.578 6.483 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 21.147 -13.693 6.894 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 21.251 -15.205 7.212 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 20.418 -11.455 14.156 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 20.024 -12.011 14.866 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 21.337 -11.796 14.065 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 28.179 -13.773 16.409 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 28.127 -13.636 15.460 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 27.301 -14.146 16.647 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.508 -15.532 10.390 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 22.227 -15.799 9.489 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 21.778 -15.863 10.972 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 16.323 -6.321 19.357 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 17.279 -6.365 19.541 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 15.911 -6.774 20.122 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 22.119 -10.687 18.363 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 21.217 -11.072 18.298 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.084 -9.907 17.784 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 26.201 -13.363 19.686 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 27.138 -13.283 19.417 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 26.121 -14.280 19.992 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 24.885 -19.514 14.162 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 25.776 -19.844 13.912 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 24.896 -19.520 15.125 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 23.911 -16.959 13.632 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 24.139 -17.862 13.922 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 23.990 -16.999 12.661 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 28.579 -15.676 20.883 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 27.709 -15.977 20.538 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 28.826 -14.935 20.285 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 22.941 -12.275 13.427 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 23.194 -12.550 12.513 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 23.361 -12.952 14.003 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 27.503 -20.403 14.144 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 27.798 -20.558 15.068 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 28.283 -19.994 13.712 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 23.848 -14.501 14.746 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 23.880 -15.384 14.306 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 23.137 -14.597 15.426 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 26.192 -16.286 19.734 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 25.929 -16.125 18.813 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 25.822 -17.160 19.941 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 30.507 -17.641 21.165 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 29.809 -16.950 21.079 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 30.792 -17.811 20.239 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 22.049 -14.661 16.731 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 22.526 -14.141 17.407 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 21.169 -14.836 17.138 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 30.301 -18.524 16.332 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 29.697 -19.284 16.403 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 30.183 -18.211 15.429 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 22.802 -7.243 11.129 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 22.931 -8.145 11.476 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 22.831 -6.684 11.907 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 17.285 -13.700 11.896 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 17.723 -14.452 12.353 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 18.029 -13.107 11.657 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 17.693 -21.223 7.879 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 16.908 -20.679 7.723 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 18.240 -21.088 7.073 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 21.273 -16.639 8.247 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 20.369 -16.723 8.608 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 21.483 -17.544 7.922 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 16.807 -18.762 5.683 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 16.793 -18.178 4.895 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 17.578 -19.343 5.535 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 33.091 -15.912 19.237 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 33.794 -15.938 18.579 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 32.512 -16.675 19.003 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 28.591 -11.026 30.026 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 27.767 -11.016 29.490 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 29.298 -10.786 29.385 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 28.834 -8.845 31.695 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 29.805 -8.941 31.641 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 28.495 -9.521 31.078 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 26.443 -10.783 28.383 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 26.991 -10.564 27.596 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 25.569 -10.391 28.180 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 18.317 -8.670 21.737 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 17.761 -8.567 22.530 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 18.458 -7.756 21.431 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 22.354 -9.258 25.073 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 21.864 -9.590 24.293 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 21.679 -8.751 25.580 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 28.136 -7.427 27.477 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 27.240 -7.411 27.058 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 28.004 -6.993 28.328 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 31.510 -14.531 28.254 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 32.083 -15.266 27.965 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 30.799 -14.511 27.583 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 33.952 -12.729 25.428 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 32.992 -12.826 25.225 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 34.364 -12.615 24.563 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 30.571 -8.372 26.700 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 31.076 -7.705 26.226 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 29.750 -7.905 26.973 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 25.689 -7.781 26.442 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 25.094 -8.437 26.853 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 25.501 -7.858 25.486 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 35.501 -14.286 27.112 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 36.019 -13.591 27.523 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 34.932 -13.814 26.469 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 21.559 -7.786 28.750 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 22.508 -7.813 28.902 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 21.179 -8.249 29.529 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 20.337 -7.073 23.760 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.408 -7.158 24.739 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.532 -7.976 23.430 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 34.557 -16.480 28.418 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 35.027 -15.737 27.977 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 33.806 -16.672 27.820 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 29.367 -11.724 23.244 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 28.547 -11.177 23.283 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 29.826 -11.404 22.458 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 23.790 -13.053 18.329 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 23.343 -12.185 18.371 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 24.550 -12.963 18.945 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 31.445 -9.673 31.297 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 31.294 -9.867 30.342 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 32.353 -9.353 31.333 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 28.103 -10.006 26.342 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 28.150 -9.097 26.701 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 28.968 -10.143 25.932 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 24.268 -11.857 34.885 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 23.658 -11.081 34.980 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 24.061 -12.209 33.989 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 18.946 -11.382 29.272 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 19.293 -10.574 28.864 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 19.649 -11.653 29.899 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 20.706 -9.180 30.946 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 20.353 -8.872 31.788 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 20.841 -10.140 31.079 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 31.363 -14.302 31.252 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 30.953 -13.436 31.464 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 31.462 -14.288 30.281 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 28.813 -14.493 23.455 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 28.887 -13.540 23.254 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 28.705 -14.915 22.579 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 30.490 -13.173 36.034 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 31.058 -12.495 36.457 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 29.590 -12.963 36.360 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 29.832 -14.960 25.959 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 29.338 -14.844 25.113 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 29.850 -15.928 26.090 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 30.116 -12.005 32.001 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 29.481 -11.771 31.284 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 30.712 -11.229 32.048 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 32.432 -16.808 26.744 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 32.788 -17.082 25.869 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 31.521 -17.157 26.747 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 22.539 -9.844 35.219 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 23.005 -9.375 35.938 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 21.597 -9.831 35.495 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 27.084 -10.199 23.151 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 26.407 -9.659 23.613 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 26.698 -10.363 22.283 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 31.558 -13.669 19.921 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 32.105 -14.399 19.573 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 32.021 -13.395 20.738 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 31.366 -13.015 24.677 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 30.632 -12.497 24.282 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 30.913 -13.727 25.176 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 21.044 -11.918 31.106 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 21.943 -11.872 31.465 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 20.717 -12.800 31.399 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 28.094 -9.483 34.202 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 28.593 -8.827 34.702 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 28.223 -9.215 33.259 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 30.876 -10.239 28.697 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 31.552 -10.892 28.389 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 30.814 -9.594 27.956 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 20.350 -7.879 26.342 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 20.787 -7.708 27.210 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 19.419 -8.102 26.584 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 19.156 -9.079 19.127 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 18.761 -9.181 20.018 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 19.225 -10.005 18.792 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 23.932 -7.686 21.588 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 22.997 -7.435 21.576 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 24.293 -7.293 20.788 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 21.271 -5.799 21.546 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 20.937 -6.187 22.390 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 21.619 -4.939 21.805 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 17.380 -4.822 21.959 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 17.930 -5.160 21.232 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 16.811 -4.168 21.542 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 32.752 -16.262 21.956 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 33.141 -16.128 21.066 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 31.892 -16.698 21.774 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 27.330 -17.628 27.603 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 26.897 -16.887 27.120 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 26.672 -17.901 28.264 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 27.480 -15.809 33.696 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 26.918 -15.235 34.256 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 28.381 -15.423 33.790 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 32.727 -12.013 27.844 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 32.378 -12.906 28.035 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 33.291 -12.141 27.060 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 18.989 -6.446 20.174 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 19.858 -6.142 20.526 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 19.210 -7.248 19.657 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 17.830 -8.523 27.155 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 17.289 -8.144 27.857 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 17.200 -9.055 26.631 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 20.072 -9.884 36.473 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 19.331 -10.464 36.761 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 19.622 -9.114 36.057 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 20.856 -8.381 17.054 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 20.553 -7.507 16.787 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 20.240 -8.640 17.772 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 26.355 -10.466 36.103 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 26.944 -10.046 35.438 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 25.677 -10.923 35.566 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 22.986 -13.005 37.121 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 23.409 -12.569 36.363 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.534 -12.275 37.595 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 24.851 -8.720 23.942 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 24.582 -8.335 23.075 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 24.000 -8.956 24.370 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 21.681 -11.468 20.989 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 22.032 -11.083 20.162 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 21.369 -12.345 20.726 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 31.673 -11.316 37.742 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 32.208 -11.742 38.423 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 30.876 -11.022 38.215 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 28.026 -12.223 33.767 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 28.797 -12.361 33.182 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 28.062 -11.269 33.982 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 31.111 -13.384 40.098 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 31.381 -14.202 39.630 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 30.716 -13.708 40.933 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 29.979 -14.810 33.854 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 30.135 -14.131 34.549 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 30.578 -14.552 33.130 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 32.146 -15.467 36.177 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 32.636 -15.499 35.341 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 31.600 -14.658 36.105 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 24.201 -20.309 31.695 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 23.838 -21.150 32.057 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 24.881 -20.041 32.350 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.145 -9.966 27.074 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 24.657 -10.609 26.526 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 23.366 -9.753 26.520 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 32.840 -13.524 22.388 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 32.294 -13.353 23.179 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 32.906 -14.498 22.350 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 29.805 -17.702 26.430 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 28.946 -17.719 26.915 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 29.825 -18.541 25.956 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 31.483 -19.604 22.832 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 31.087 -18.924 22.240 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 30.997 -20.416 22.622 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 21.245 -15.990 41.526 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 20.794 -15.134 41.359 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 20.611 -16.659 41.205 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 25.339 -17.080 42.985 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 25.727 -16.669 43.795 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 24.929 -17.892 43.307 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 27.929 -12.548 37.057 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 27.427 -11.720 36.894 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 27.411 -13.232 36.593 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 29.269 -11.597 39.239 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 28.824 -12.012 38.468 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 29.929 -12.269 39.530 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 25.181 -7.841 39.501 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 25.984 -8.146 39.940 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 25.137 -6.882 39.720 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 27.976 -20.961 35.017 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 27.879 -20.996 35.976 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 28.093 -21.905 34.753 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 25.601 -11.549 42.371 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 25.021 -10.914 41.882 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 25.580 -11.233 43.280 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 27.561 -12.956 41.005 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 26.907 -12.421 41.504 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 28.059 -12.296 40.478 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 20.748 -15.195 38.304 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 20.618 -16.089 38.652 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 20.410 -14.609 39.015 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 23.860 -15.931 40.910 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 22.915 -16.016 41.183 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 24.358 -16.344 41.643 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 24.069 -13.217 40.767 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 24.146 -14.186 40.885 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 24.666 -12.843 41.442 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 26.237 -14.917 39.337 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 26.540 -14.098 39.774 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 26.503 -15.627 39.955 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 26.605 -16.196 45.247 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 27.541 -16.123 44.959 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 26.624 -15.959 46.179 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 23.906 -9.810 41.163 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 23.884 -9.058 40.549 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 23.067 -10.283 40.998 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 29.599 -14.474 42.164 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 28.820 -13.981 41.826 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 29.279 -14.894 42.984 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 22.000 -10.716 38.218 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 21.259 -10.394 37.656 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 22.758 -10.145 37.965 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 24.215 -9.333 37.413 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 24.528 -8.735 38.128 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 25.042 -9.695 37.027 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 31.069 -16.674 41.397 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 31.398 -16.506 40.486 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 30.646 -15.831 41.655 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 27.346 -16.908 41.076 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 28.029 -17.443 41.528 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 26.580 -16.939 41.686 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 29.176 -16.226 44.304 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 29.108 -17.029 43.738 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 30.095 -16.221 44.596 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 25.130 -5.192 40.191 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 24.331 -4.664 40.089 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 25.799 -4.560 40.470 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 26.275 -13.754 35.094 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 25.503 -13.160 35.173 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 26.924 -13.231 34.558 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 19.438 -17.767 40.294 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 19.179 -18.005 39.372 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 18.601 -17.754 40.775 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 18.719 -18.271 37.728 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 18.807 -19.094 37.186 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 18.880 -17.542 37.082 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 29.305 -18.323 42.518 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 29.549 -19.246 42.378 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 30.030 -17.813 42.075 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 28.787 -16.122 38.784 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 28.394 -16.559 39.561 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 28.095 -15.515 38.481 1.00 0.00 WAT1 END