REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -2064.45, 113.31, 168.628, 79.3886, 683.465, -663.406, -2455.14, 8.58656, 0.721417 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.817385E-03,0.501508,1.29546,42.7756,6.130086E-03,0.252997 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 70, 22 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:29 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.505 -32.990 -16.251 1.00 33.43 ATOM 2 CB MET 1 1.050 -33.950 -18.091 1.00 11.31 ATOM 3 HB1 MET 1 1.884 -33.283 -18.260 1.00 37.63 ATOM 4 HB2 MET 1 0.184 -33.562 -18.609 1.00 10.33 ATOM 5 CG MET 1 1.396 -35.307 -18.695 1.00 5.31 ATOM 6 HG1 MET 1 0.561 -35.978 -18.548 1.00 37.63 ATOM 7 HG2 MET 1 2.264 -35.702 -18.187 1.00 64.33 ATOM 8 SD MET 1 1.757 -35.214 -20.462 1.00 42.12 ATOM 9 CE MET 1 3.181 -34.126 -20.470 1.00 51.12 ATOM 10 HE1 MET 1 3.507 -33.967 -21.487 1.00 62.33 ATOM 11 HE2 MET 1 3.981 -34.577 -19.902 1.00 63.13 ATOM 12 HE3 MET 1 2.914 -33.178 -20.025 1.00 70.23 ATOM 13 C MET 1 -0.460 -34.899 -16.306 1.00 51.15 ATOM 14 O MET 1 -1.488 -34.802 -16.979 1.00 22.34 ATOM 15 N MET 1 1.965 -34.432 -15.831 1.00 63.04 ATOM 16 HT1 MET 1 1.768 -34.464 -14.808 1.00 37.63 ATOM 17 HT2 MET 1 2.746 -33.760 -15.990 1.00 37.63 ATOM 18 HT3 MET 1 2.268 -35.378 -16.144 1.00 37.63 ATOM 19 CA MET 1 0.751 -33.990 -16.582 1.00 34.40 ATOM 20 N GLY 2 -0.339 -35.775 -15.309 1.00 23.32 ATOM 21 HN GLY 2 0.493 -35.810 -14.798 1.00 37.63 ATOM 22 CA GLY 2 -1.432 -36.677 -14.961 1.00 21.35 ATOM 23 HA1 GLY 2 -1.045 -37.457 -14.322 1.00 37.63 ATOM 24 HA2 GLY 2 -1.812 -37.131 -15.866 1.00 51.34 ATOM 25 C GLY 2 -2.587 -35.984 -14.239 1.00 71.10 ATOM 26 O GLY 2 -2.441 -34.867 -13.745 1.00 34.03 ATOM 27 N HIS 3 -3.723 -36.669 -14.148 1.00 21.41 ATOM 28 HN HIS 3 -3.744 -37.590 -14.484 1.00 37.63 ATOM 29 CA HIS 3 -4.949 -36.099 -13.569 1.00 51.34 ATOM 30 HA HIS 3 -5.029 -35.074 -13.905 1.00 32.50 ATOM 31 CB HIS 3 -6.160 -36.884 -14.091 1.00 72.35 ATOM 32 HB1 HIS 3 -7.066 -36.429 -13.715 1.00 37.63 ATOM 33 HB2 HIS 3 -6.102 -37.905 -13.738 1.00 63.20 ATOM 34 CG HIS 3 -6.245 -36.914 -15.590 1.00 22.11 ATOM 35 ND1 HIS 3 -5.765 -37.957 -16.350 1.00 2.14 ATOM 36 HD1 HIS 3 -5.344 -38.778 -16.002 1.00 51.35 ATOM 37 CD2 HIS 3 -6.749 -36.017 -16.471 1.00 44.31 ATOM 38 HD2 HIS 3 -7.209 -35.069 -16.230 1.00 5.10 ATOM 39 CE1 HIS 3 -5.966 -37.703 -17.626 1.00 21.33 ATOM 40 HE1 HIS 3 -5.689 -38.346 -18.450 1.00 3.31 ATOM 41 NE2 HIS 3 -6.563 -36.534 -17.730 1.00 21.42 ATOM 42 HE2 HIS 3 -7.006 -36.207 -18.544 1.00 37.63 ATOM 43 C HIS 3 -4.926 -36.109 -12.028 1.00 55.34 ATOM 44 O HIS 3 -5.949 -36.352 -11.379 1.00 53.14 ATOM 45 N HIS 4 -3.770 -35.797 -11.446 1.00 61.20 ATOM 46 HN HIS 4 -3.011 -35.542 -12.010 1.00 37.63 ATOM 47 CA HIS 4 -3.610 -35.796 -9.988 1.00 71.25 ATOM 48 HA HIS 4 -4.095 -36.680 -9.601 1.00 12.01 ATOM 49 CB HIS 4 -2.123 -35.840 -9.612 1.00 60.42 ATOM 50 HB1 HIS 4 -2.035 -35.886 -8.536 1.00 37.63 ATOM 51 HB2 HIS 4 -1.644 -34.938 -9.965 1.00 31.10 ATOM 52 CG HIS 4 -1.377 -37.009 -10.186 1.00 50.23 ATOM 53 ND1 HIS 4 -0.187 -36.878 -10.873 1.00 40.52 ATOM 54 HD1 HIS 4 0.276 -36.032 -11.070 1.00 72.41 ATOM 55 CD2 HIS 4 -1.637 -38.339 -10.148 1.00 2.42 ATOM 56 HD2 HIS 4 -2.495 -38.814 -9.692 1.00 74.42 ATOM 57 CE1 HIS 4 0.248 -38.068 -11.230 1.00 12.33 ATOM 58 HE1 HIS 4 1.156 -38.268 -11.780 1.00 13.33 ATOM 59 NE2 HIS 4 -0.609 -38.970 -10.802 1.00 41.11 ATOM 60 HE2 HIS 4 -0.585 -39.924 -11.034 1.00 37.63 ATOM 61 C HIS 4 -4.254 -34.554 -9.354 1.00 73.33 ATOM 62 O HIS 4 -3.729 -33.449 -9.484 1.00 42.14 ATOM 63 N HIS 5 -5.384 -34.729 -8.668 1.00 64.21 ATOM 64 HN HIS 5 -5.790 -35.623 -8.635 1.00 37.63 ATOM 65 CA HIS 5 -6.029 -33.609 -7.970 1.00 41.15 ATOM 66 HA HIS 5 -6.127 -32.803 -8.688 1.00 55.41 ATOM 67 CB HIS 5 -7.439 -33.994 -7.480 1.00 32.43 ATOM 68 HB1 HIS 5 -8.074 -34.150 -8.342 1.00 37.63 ATOM 69 HB2 HIS 5 -7.841 -33.179 -6.899 1.00 63.24 ATOM 70 CG HIS 5 -7.508 -35.232 -6.631 1.00 3.34 ATOM 71 ND1 HIS 5 -7.607 -36.501 -7.159 1.00 51.43 ATOM 72 HD1 HIS 5 -7.615 -36.729 -8.115 1.00 74.10 ATOM 73 CD2 HIS 5 -7.536 -35.390 -5.285 1.00 23.14 ATOM 74 HD2 HIS 5 -7.471 -34.602 -4.547 1.00 23.25 ATOM 75 CE1 HIS 5 -7.696 -37.378 -6.181 1.00 30.51 ATOM 76 HE1 HIS 5 -7.784 -38.447 -6.301 1.00 45.42 ATOM 77 NE2 HIS 5 -7.656 -36.735 -5.033 1.00 11.34 ATOM 78 HE2 HIS 5 -7.959 -37.117 -4.179 1.00 37.63 ATOM 79 C HIS 5 -5.147 -33.108 -6.810 1.00 33.11 ATOM 80 O HIS 5 -4.865 -33.847 -5.864 1.00 33.03 ATOM 81 N HIS 6 -4.716 -31.847 -6.887 1.00 64.42 ATOM 82 HN HIS 6 -5.091 -31.258 -7.579 1.00 37.63 ATOM 83 CA HIS 6 -3.712 -31.310 -5.953 1.00 73.01 ATOM 84 HA HIS 6 -3.801 -31.846 -5.019 1.00 25.32 ATOM 85 CB HIS 6 -2.307 -31.545 -6.530 1.00 1.23 ATOM 86 HB1 HIS 6 -2.176 -32.601 -6.722 1.00 37.63 ATOM 87 HB2 HIS 6 -1.570 -31.224 -5.809 1.00 51.21 ATOM 88 CG HIS 6 -2.052 -30.805 -7.817 1.00 23.21 ATOM 89 ND1 HIS 6 -2.752 -31.047 -8.979 1.00 51.53 ATOM 90 HD1 HIS 6 -3.484 -31.693 -9.085 1.00 43.55 ATOM 91 CD2 HIS 6 -1.170 -29.819 -8.120 1.00 40.05 ATOM 92 HD2 HIS 6 -0.457 -29.367 -7.444 1.00 65.54 ATOM 93 CE1 HIS 6 -2.313 -30.255 -9.934 1.00 31.13 ATOM 94 HE1 HIS 6 -2.678 -30.228 -10.950 1.00 33.43 ATOM 95 NE2 HIS 6 -1.357 -29.499 -9.442 1.00 63.43 ATOM 96 HE2 HIS 6 -0.996 -28.701 -9.886 1.00 37.63 ATOM 97 C HIS 6 -3.906 -29.808 -5.681 1.00 13.51 ATOM 98 O HIS 6 -4.789 -29.167 -6.252 1.00 33.11 ATOM 99 N HIS 7 -3.059 -29.260 -4.803 1.00 74.53 ATOM 100 HN HIS 7 -2.456 -29.847 -4.304 1.00 37.63 ATOM 101 CA HIS 7 -3.014 -27.814 -4.542 1.00 35.33 ATOM 102 HA HIS 7 -3.982 -27.511 -4.165 1.00 74.31 ATOM 103 CB HIS 7 -1.938 -27.521 -3.481 1.00 14.53 ATOM 104 HB1 HIS 7 -0.961 -27.641 -3.930 1.00 37.63 ATOM 105 HB2 HIS 7 -2.041 -28.231 -2.674 1.00 61.35 ATOM 106 CG HIS 7 -2.006 -26.144 -2.885 1.00 14.11 ATOM 107 ND1 HIS 7 -2.794 -25.836 -1.798 1.00 31.51 ATOM 108 HD1 HIS 7 -3.376 -26.463 -1.315 1.00 14.41 ATOM 109 CD2 HIS 7 -1.364 -24.997 -3.212 1.00 4.03 ATOM 110 HD2 HIS 7 -0.654 -24.866 -4.017 1.00 34.31 ATOM 111 CE1 HIS 7 -2.639 -24.566 -1.487 1.00 11.14 ATOM 112 HE1 HIS 7 -3.136 -24.050 -0.678 1.00 12.20 ATOM 113 NE2 HIS 7 -1.776 -24.032 -2.324 1.00 44.35 ATOM 114 HE2 HIS 7 -1.321 -23.175 -2.175 1.00 37.63 ATOM 115 C HIS 7 -2.717 -27.053 -5.848 1.00 65.53 ATOM 116 O HIS 7 -1.629 -27.182 -6.414 1.00 54.11 ATOM 117 N HIS 8 -3.683 -26.261 -6.315 1.00 12.52 ATOM 118 HN HIS 8 -4.447 -26.054 -5.733 1.00 37.63 ATOM 119 CA HIS 8 -3.643 -25.705 -7.679 1.00 42.32 ATOM 120 HA HIS 8 -3.587 -26.554 -8.347 1.00 15.02 ATOM 121 CB HIS 8 -4.945 -24.951 -8.005 1.00 30.12 ATOM 122 HB1 HIS 8 -5.760 -25.661 -8.040 1.00 37.63 ATOM 123 HB2 HIS 8 -4.848 -24.487 -8.976 1.00 51.20 ATOM 124 CG HIS 8 -5.314 -23.878 -7.026 1.00 32.31 ATOM 125 ND1 HIS 8 -6.087 -24.113 -5.912 1.00 62.43 ATOM 126 HD1 HIS 8 -6.460 -24.981 -5.646 1.00 60.23 ATOM 127 CD2 HIS 8 -5.036 -22.553 -7.011 1.00 52.04 ATOM 128 HD2 HIS 8 -4.444 -22.012 -7.738 1.00 71.23 ATOM 129 CE1 HIS 8 -6.268 -22.985 -5.256 1.00 4.33 ATOM 130 HE1 HIS 8 -6.837 -22.868 -4.345 1.00 23.35 ATOM 131 NE2 HIS 8 -5.642 -22.025 -5.899 1.00 55.12 ATOM 132 HE2 HIS 8 -5.735 -21.066 -5.705 1.00 37.63 ATOM 133 C HIS 8 -2.418 -24.813 -7.969 1.00 63.03 ATOM 134 O HIS 8 -1.790 -24.958 -9.021 1.00 64.52 ATOM 135 N SER 9 -2.069 -23.891 -7.069 1.00 25.02 ATOM 136 HN SER 9 -2.542 -23.844 -6.209 1.00 37.63 ATOM 137 CA SER 9 -0.967 -22.947 -7.353 1.00 74.01 ATOM 138 HA SER 9 -0.455 -23.304 -8.236 1.00 11.25 ATOM 139 CB SER 9 -1.514 -21.544 -7.652 1.00 1.25 ATOM 140 HB1 SER 9 -2.022 -21.162 -6.777 1.00 37.63 ATOM 141 HB2 SER 9 -2.211 -21.597 -8.476 1.00 31.20 ATOM 142 OG SER 9 -0.466 -20.648 -7.998 1.00 21.41 ATOM 143 HG SER 9 -0.727 -19.746 -7.765 1.00 51.22 ATOM 144 C SER 9 0.059 -22.856 -6.213 1.00 20.35 ATOM 145 O SER 9 -0.287 -22.601 -5.057 1.00 63.11 ATOM 146 N HIS 10 1.324 -23.072 -6.565 1.00 21.34 ATOM 147 HN HIS 10 1.507 -23.385 -7.474 1.00 37.63 ATOM 148 CA HIS 10 2.456 -22.882 -5.648 1.00 20.25 ATOM 149 HA HIS 10 2.280 -21.982 -5.075 1.00 25.43 ATOM 150 CB HIS 10 2.579 -24.083 -4.689 1.00 5.33 ATOM 151 HB1 HIS 10 2.793 -24.973 -5.263 1.00 37.63 ATOM 152 HB2 HIS 10 1.641 -24.216 -4.170 1.00 52.34 ATOM 153 CG HIS 10 3.658 -23.930 -3.652 1.00 40.45 ATOM 154 ND1 HIS 10 4.937 -24.425 -3.811 1.00 74.31 ATOM 155 HD1 HIS 10 5.280 -24.895 -4.607 1.00 12.23 ATOM 156 CD2 HIS 10 3.643 -23.330 -2.438 1.00 71.24 ATOM 157 HD2 HIS 10 2.800 -22.834 -1.979 1.00 21.32 ATOM 158 CE1 HIS 10 5.655 -24.142 -2.745 1.00 41.30 ATOM 159 HE1 HIS 10 6.689 -24.412 -2.590 1.00 11.15 ATOM 160 NE2 HIS 10 4.896 -23.477 -1.896 1.00 44.15 ATOM 161 HE2 HIS 10 5.230 -22.995 -1.110 1.00 37.63 ATOM 162 C HIS 10 3.754 -22.712 -6.459 1.00 3.15 ATOM 163 O HIS 10 4.853 -22.857 -5.931 1.00 61.45 ATOM 164 N MET 11 3.597 -22.353 -7.741 1.00 32.24 ATOM 165 HN MET 11 2.715 -22.052 -8.035 1.00 37.63 ATOM 166 CA MET 11 4.697 -22.374 -8.721 1.00 3.14 ATOM 167 HA MET 11 4.320 -21.931 -9.632 1.00 42.14 ATOM 168 CB MET 11 5.906 -21.553 -8.232 1.00 51.51 ATOM 169 HB1 MET 11 6.652 -21.528 -9.017 1.00 37.63 ATOM 170 HB2 MET 11 6.330 -22.041 -7.366 1.00 64.44 ATOM 171 CG MET 11 5.570 -20.115 -7.849 1.00 51.42 ATOM 172 HG1 MET 11 4.885 -20.128 -7.012 1.00 37.63 ATOM 173 HG2 MET 11 5.095 -19.632 -8.691 1.00 64.04 ATOM 174 SD MET 11 7.032 -19.161 -7.386 1.00 41.41 ATOM 175 CE MET 11 7.816 -20.279 -6.223 1.00 21.40 ATOM 176 HE1 MET 11 7.149 -20.463 -5.394 1.00 72.03 ATOM 177 HE2 MET 11 8.730 -19.835 -5.857 1.00 24.52 ATOM 178 HE3 MET 11 8.043 -21.213 -6.718 1.00 52.21 ATOM 179 C MET 11 5.121 -23.827 -9.030 1.00 5.12 ATOM 180 O MET 11 4.841 -24.744 -8.254 1.00 40.22 ATOM 181 N PRO 12 5.773 -24.073 -10.182 1.00 71.50 ATOM 182 CA PRO 12 6.194 -25.426 -10.556 1.00 4.01 ATOM 183 HA PRO 12 5.410 -26.146 -10.365 1.00 3.20 ATOM 184 CB PRO 12 6.411 -25.305 -12.069 1.00 53.34 ATOM 185 HB1 PRO 12 5.487 -25.516 -12.586 1.00 37.63 ATOM 186 HB2 PRO 12 7.175 -26.002 -12.389 1.00 32.34 ATOM 187 CG PRO 12 6.837 -23.888 -12.273 1.00 53.04 ATOM 188 HG1 PRO 12 6.544 -23.556 -13.258 1.00 37.63 ATOM 189 HG2 PRO 12 7.909 -23.808 -12.155 1.00 52.22 ATOM 190 CD PRO 12 6.132 -23.074 -11.213 1.00 30.23 ATOM 191 HD1 PRO 12 5.247 -22.608 -11.619 1.00 37.63 ATOM 192 HD2 PRO 12 6.798 -22.326 -10.807 1.00 21.23 ATOM 193 C PRO 12 7.479 -25.886 -9.841 1.00 31.42 ATOM 194 O PRO 12 8.586 -25.730 -10.367 1.00 23.44 ATOM 195 N ASP 13 7.330 -26.418 -8.624 1.00 23.35 ATOM 196 HN ASP 13 6.453 -26.361 -8.181 1.00 37.63 ATOM 197 CA ASP 13 8.450 -27.042 -7.910 1.00 51.21 ATOM 198 HA ASP 13 9.238 -26.306 -7.822 1.00 65.21 ATOM 199 CB ASP 13 8.020 -27.486 -6.507 1.00 32.00 ATOM 200 HB1 ASP 13 8.819 -28.062 -6.059 1.00 37.63 ATOM 201 HB2 ASP 13 7.141 -28.111 -6.588 1.00 25.03 ATOM 202 CG ASP 13 7.693 -26.322 -5.591 1.00 25.25 ATOM 203 OD1 ASP 13 8.570 -25.928 -4.792 1.00 53.41 ATOM 204 OD2 ASP 13 6.558 -25.810 -5.664 1.00 42.03 ATOM 205 C ASP 13 8.987 -28.254 -8.687 1.00 71.03 ATOM 206 O ASP 13 10.084 -28.217 -9.249 1.00 44.11 ATOM 207 N HIS 14 8.195 -29.325 -8.716 1.00 32.11 ATOM 208 HN HIS 14 7.344 -29.293 -8.232 1.00 37.63 ATOM 209 CA HIS 14 8.553 -30.541 -9.450 1.00 34.53 ATOM 210 HA HIS 14 9.135 -30.248 -10.314 1.00 43.44 ATOM 211 CB HIS 14 9.399 -31.476 -8.572 1.00 14.43 ATOM 212 HB1 HIS 14 8.783 -31.861 -7.771 1.00 37.63 ATOM 213 HB2 HIS 14 10.220 -30.916 -8.149 1.00 14.53 ATOM 214 CG HIS 14 9.974 -32.647 -9.319 1.00 3.33 ATOM 215 ND1 HIS 14 9.225 -33.740 -9.710 1.00 33.52 ATOM 216 HD1 HIS 14 8.265 -33.868 -9.551 1.00 12.33 ATOM 217 CD2 HIS 14 11.234 -32.888 -9.756 1.00 33.24 ATOM 218 HD2 HIS 14 12.092 -32.242 -9.630 1.00 23.41 ATOM 219 CE1 HIS 14 9.996 -34.595 -10.349 1.00 43.35 ATOM 220 HE1 HIS 14 9.680 -35.540 -10.768 1.00 25.22 ATOM 221 NE2 HIS 14 11.215 -34.105 -10.392 1.00 71.31 ATOM 222 HE2 HIS 14 12.008 -34.599 -10.693 1.00 37.63 ATOM 223 C HIS 14 7.293 -31.274 -9.934 1.00 1.43 ATOM 224 O HIS 14 7.007 -31.306 -11.128 1.00 14.41 ATOM 225 N GLY 15 6.543 -31.860 -8.993 1.00 24.22 ATOM 226 HN GLY 15 6.802 -31.773 -8.055 1.00 37.63 ATOM 227 CA GLY 15 5.339 -32.615 -9.344 1.00 42.24 ATOM 228 HA1 GLY 15 4.619 -31.937 -9.780 1.00 37.63 ATOM 229 HA2 GLY 15 4.919 -33.033 -8.441 1.00 74.44 ATOM 230 C GLY 15 5.610 -33.752 -10.330 1.00 1.04 ATOM 231 O GLY 15 6.620 -34.452 -10.216 1.00 72.11 ATOM 232 N ASP 16 4.705 -33.942 -11.289 1.00 24.13 ATOM 233 HN ASP 16 3.875 -33.422 -11.271 1.00 37.63 ATOM 234 CA ASP 16 4.903 -34.923 -12.360 1.00 23.45 ATOM 235 HA ASP 16 5.892 -35.346 -12.243 1.00 12.33 ATOM 236 CB ASP 16 3.869 -36.057 -12.239 1.00 50.03 ATOM 237 HB1 ASP 16 3.958 -36.507 -11.260 1.00 37.63 ATOM 238 HB2 ASP 16 4.078 -36.807 -12.989 1.00 24.13 ATOM 239 CG ASP 16 2.433 -35.581 -12.419 1.00 32.04 ATOM 240 OD1 ASP 16 1.861 -35.800 -13.506 1.00 21.22 ATOM 241 OD2 ASP 16 1.868 -34.984 -11.477 1.00 4.44 ATOM 242 C ASP 16 4.826 -34.249 -13.745 1.00 30.01 ATOM 243 O ASP 16 3.774 -33.754 -14.156 1.00 21.51 ATOM 244 N TRP 17 5.951 -34.207 -14.454 1.00 74.11 ATOM 245 HN TRP 17 6.775 -34.576 -14.065 1.00 37.63 ATOM 246 CA TRP 17 5.993 -33.603 -15.793 1.00 50.45 ATOM 247 HA TRP 17 5.291 -32.780 -15.802 1.00 52.23 ATOM 248 CB TRP 17 7.396 -33.056 -16.089 1.00 31.21 ATOM 249 HB1 TRP 17 7.433 -32.713 -17.114 1.00 37.63 ATOM 250 HB2 TRP 17 8.120 -33.847 -15.955 1.00 71.41 ATOM 251 CG TRP 17 7.794 -31.910 -15.203 1.00 23.01 ATOM 252 CD1 TRP 17 8.532 -31.974 -14.057 1.00 33.32 ATOM 253 HD1 TRP 17 8.933 -32.888 -13.642 1.00 44.23 ATOM 254 CD2 TRP 17 7.466 -30.528 -15.392 1.00 10.23 ATOM 255 NE1 TRP 17 8.690 -30.717 -13.528 1.00 12.23 ATOM 256 HE1 TRP 17 9.182 -30.502 -12.710 1.00 1.31 ATOM 257 CE2 TRP 17 8.043 -29.813 -14.326 1.00 64.34 ATOM 258 CE3 TRP 17 6.744 -29.827 -16.361 1.00 2.13 ATOM 259 HE3 TRP 17 6.285 -30.340 -17.195 1.00 52.21 ATOM 260 CZ2 TRP 17 7.919 -28.434 -14.202 1.00 52.01 ATOM 261 HZ2 TRP 17 8.365 -27.892 -13.381 1.00 51.14 ATOM 262 CZ3 TRP 17 6.619 -28.456 -16.237 1.00 62.03 ATOM 263 HZ3 TRP 17 6.064 -27.898 -16.976 1.00 55.25 ATOM 264 CH2 TRP 17 7.206 -27.772 -15.165 1.00 2.21 ATOM 265 HH2 TRP 17 7.082 -26.700 -15.108 1.00 40.44 ATOM 266 C TRP 17 5.579 -34.608 -16.879 1.00 51.11 ATOM 267 O TRP 17 5.016 -34.231 -17.908 1.00 2.22 ATOM 268 N THR 18 5.859 -35.884 -16.637 1.00 5.21 ATOM 269 HN THR 18 6.303 -36.115 -15.796 1.00 37.63 ATOM 270 CA THR 18 5.530 -36.959 -17.587 1.00 61.22 ATOM 271 HA THR 18 5.547 -36.542 -18.586 1.00 34.24 ATOM 272 CB THR 18 6.593 -38.088 -17.517 1.00 73.33 ATOM 273 HB THR 18 7.566 -37.650 -17.693 1.00 1.14 ATOM 274 OG1 THR 18 6.344 -39.074 -18.528 1.00 62.23 ATOM 275 HG1 THR 18 7.168 -39.536 -18.733 1.00 42.24 ATOM 276 CG2 THR 18 6.608 -38.755 -16.143 1.00 45.50 ATOM 277 HG21 THR 18 7.346 -39.543 -16.134 1.00 62.21 ATOM 278 HG22 THR 18 5.633 -39.172 -15.932 1.00 51.31 ATOM 279 HG23 THR 18 6.857 -38.023 -15.388 1.00 35.15 ATOM 280 C THR 18 4.125 -37.545 -17.323 1.00 63.51 ATOM 281 O THR 18 3.309 -36.934 -16.620 1.00 71.44 ATOM 282 N TYR 19 3.833 -38.707 -17.913 1.00 2.33 ATOM 283 HN TYR 19 4.498 -39.115 -18.508 1.00 37.63 ATOM 284 CA TYR 19 2.552 -39.397 -17.700 1.00 3.34 ATOM 285 HA TYR 19 1.762 -38.688 -17.912 1.00 72.45 ATOM 286 CB TYR 19 2.418 -40.587 -18.666 1.00 63.32 ATOM 287 HB1 TYR 19 2.283 -40.209 -19.671 1.00 37.63 ATOM 288 HB2 TYR 19 1.547 -41.166 -18.392 1.00 5.23 ATOM 289 CG TYR 19 3.621 -41.525 -18.675 1.00 35.53 ATOM 290 CD1 TYR 19 3.758 -42.538 -17.728 1.00 13.52 ATOM 291 HD1 TYR 19 2.994 -42.659 -16.973 1.00 24.30 ATOM 292 CD2 TYR 19 4.620 -41.395 -19.637 1.00 2.00 ATOM 293 HD2 TYR 19 4.534 -40.616 -20.381 1.00 1.44 ATOM 294 CE1 TYR 19 4.854 -43.385 -17.737 1.00 24.12 ATOM 295 HE1 TYR 19 4.941 -44.165 -16.993 1.00 1.34 ATOM 296 CE2 TYR 19 5.716 -42.239 -19.652 1.00 42.33 ATOM 297 HE2 TYR 19 6.479 -42.118 -20.409 1.00 21.12 ATOM 298 CZ TYR 19 5.827 -43.232 -18.702 1.00 65.15 ATOM 299 OH TYR 19 6.923 -44.071 -18.715 1.00 42.13 ATOM 300 HH TYR 19 7.725 -43.546 -18.844 1.00 3.42 ATOM 301 C TYR 19 2.400 -39.873 -16.244 1.00 74.23 ATOM 302 O TYR 19 3.386 -40.042 -15.526 1.00 70.23 ATOM 303 N GLU 20 1.158 -40.101 -15.814 1.00 50.12 ATOM 304 HN GLU 20 0.412 -40.017 -16.441 1.00 37.63 ATOM 305 CA GLU 20 0.888 -40.478 -14.423 1.00 22.11 ATOM 306 HA GLU 20 1.613 -39.961 -13.809 1.00 5.23 ATOM 307 CB GLU 20 -0.513 -40.010 -13.999 1.00 25.33 ATOM 308 HB1 GLU 20 -0.560 -38.935 -14.105 1.00 37.63 ATOM 309 HB2 GLU 20 -0.662 -40.259 -12.957 1.00 12.23 ATOM 310 CG GLU 20 -1.663 -40.615 -14.800 1.00 72.34 ATOM 311 HG1 GLU 20 -1.689 -41.682 -14.624 1.00 37.63 ATOM 312 HG2 GLU 20 -1.490 -40.431 -15.851 1.00 43.22 ATOM 313 CD GLU 20 -3.012 -40.023 -14.412 1.00 42.25 ATOM 314 OE1 GLU 20 -3.629 -39.333 -15.250 1.00 53.14 ATOM 315 OE2 GLU 20 -3.445 -40.222 -13.255 1.00 31.43 ATOM 316 C GLU 20 1.053 -41.988 -14.180 1.00 73.12 ATOM 317 O GLU 20 0.628 -42.821 -14.984 1.00 40.13 ATOM 318 N GLU 21 1.677 -42.313 -13.050 1.00 25.55 ATOM 319 HN GLU 21 1.969 -41.590 -12.457 1.00 37.63 ATOM 320 CA GLU 21 1.962 -43.694 -12.645 1.00 52.10 ATOM 321 HA GLU 21 1.029 -44.240 -12.617 1.00 41.42 ATOM 322 CB GLU 21 2.920 -44.352 -13.666 1.00 24.31 ATOM 323 HB1 GLU 21 3.845 -43.791 -13.679 1.00 37.63 ATOM 324 HB2 GLU 21 2.469 -44.291 -14.646 1.00 2.42 ATOM 325 CG GLU 21 3.259 -45.820 -13.397 1.00 70.22 ATOM 326 HG1 GLU 21 3.776 -45.887 -12.449 1.00 37.63 ATOM 327 HG2 GLU 21 3.913 -46.173 -14.182 1.00 35.44 ATOM 328 CD GLU 21 2.033 -46.723 -13.349 1.00 54.23 ATOM 329 OE1 GLU 21 1.585 -47.068 -12.235 1.00 12.21 ATOM 330 OE2 GLU 21 1.512 -47.091 -14.423 1.00 23.04 ATOM 331 C GLU 21 2.582 -43.677 -11.236 1.00 52.24 ATOM 332 O GLU 21 2.844 -42.600 -10.693 1.00 22.12 ATOM 333 N GLN 22 2.792 -44.846 -10.628 1.00 52.43 ATOM 334 HN GLN 22 2.465 -45.671 -11.048 1.00 37.63 ATOM 335 CA GLN 22 3.486 -44.922 -9.335 1.00 75.31 ATOM 336 HA GLN 22 2.862 -44.434 -8.598 1.00 14.14 ATOM 337 CB GLN 22 3.692 -46.391 -8.921 1.00 24.33 ATOM 338 HB1 GLN 22 4.281 -46.418 -8.015 1.00 37.63 ATOM 339 HB2 GLN 22 4.235 -46.901 -9.705 1.00 61.04 ATOM 340 CG GLN 22 2.390 -47.152 -8.667 1.00 5.11 ATOM 341 HG1 GLN 22 2.621 -48.202 -8.548 1.00 37.63 ATOM 342 HG2 GLN 22 1.742 -47.026 -9.522 1.00 23.25 ATOM 343 CD GLN 22 1.649 -46.675 -7.424 1.00 64.12 ATOM 344 OE1 GLN 22 0.423 -46.681 -7.373 1.00 75.44 ATOM 345 NE2 GLN 22 2.382 -46.293 -6.394 1.00 23.33 ATOM 346 HE21 GLN 22 3.359 -46.337 -6.474 1.00 3.33 ATOM 347 HE22 GLN 22 1.919 -45.983 -5.593 1.00 42.24 ATOM 348 C GLN 22 4.841 -44.189 -9.397 1.00 4.34 ATOM 349 O GLN 22 5.826 -44.731 -9.900 1.00 31.15 ATOM 350 N PHE 23 4.864 -42.945 -8.894 1.00 53.14 ATOM 351 HN PHE 23 4.055 -42.603 -8.464 1.00 37.63 ATOM 352 CA PHE 23 6.044 -42.066 -8.973 1.00 72.11 ATOM 353 HA PHE 23 6.162 -41.775 -10.007 1.00 33.44 ATOM 354 CB PHE 23 5.801 -40.804 -8.132 1.00 65.44 ATOM 355 HB1 PHE 23 5.813 -41.074 -7.085 1.00 37.63 ATOM 356 HB2 PHE 23 4.827 -40.404 -8.377 1.00 64.31 ATOM 357 CG PHE 23 6.812 -39.701 -8.343 1.00 3.35 ATOM 358 CD1 PHE 23 6.954 -39.100 -9.587 1.00 1.52 ATOM 359 HD1 PHE 23 6.343 -39.437 -10.413 1.00 43.13 ATOM 360 CD2 PHE 23 7.606 -39.254 -7.295 1.00 0.51 ATOM 361 HD2 PHE 23 7.506 -39.713 -6.322 1.00 2.51 ATOM 362 CE1 PHE 23 7.865 -38.077 -9.779 1.00 15.03 ATOM 363 HE1 PHE 23 7.966 -37.619 -10.753 1.00 12.11 ATOM 364 CE2 PHE 23 8.518 -38.234 -7.484 1.00 21.21 ATOM 365 HE2 PHE 23 9.130 -37.898 -6.659 1.00 1.32 ATOM 366 CZ PHE 23 8.649 -37.645 -8.727 1.00 63.10 ATOM 367 HZ PHE 23 9.362 -36.846 -8.874 1.00 73.41 ATOM 368 C PHE 23 7.320 -42.793 -8.519 1.00 10.13 ATOM 369 O PHE 23 7.629 -42.869 -7.328 1.00 30.55 ATOM 370 N LYS 24 8.055 -43.321 -9.495 1.00 54.13 ATOM 371 HN LYS 24 7.834 -43.096 -10.422 1.00 37.63 ATOM 372 CA LYS 24 9.163 -44.241 -9.235 1.00 51.33 ATOM 373 HA LYS 24 8.760 -45.076 -8.680 1.00 53.13 ATOM 374 CB LYS 24 9.728 -44.771 -10.564 1.00 50.43 ATOM 375 HB1 LYS 24 10.423 -44.043 -10.960 1.00 37.63 ATOM 376 HB2 LYS 24 8.915 -44.888 -11.266 1.00 12.42 ATOM 377 CG LYS 24 10.458 -46.113 -10.446 1.00 15.41 ATOM 378 HG1 LYS 24 10.829 -46.221 -9.436 1.00 37.63 ATOM 379 HG2 LYS 24 11.293 -46.113 -11.132 1.00 71.51 ATOM 380 CD LYS 24 9.557 -47.308 -10.776 1.00 11.12 ATOM 381 HD1 LYS 24 10.136 -48.215 -10.667 1.00 37.63 ATOM 382 HD2 LYS 24 9.226 -47.220 -11.802 1.00 55.23 ATOM 383 CE LYS 24 8.326 -47.396 -9.874 1.00 64.30 ATOM 384 HE1 LYS 24 7.755 -46.484 -9.970 1.00 37.63 ATOM 385 HE2 LYS 24 8.649 -47.510 -8.848 1.00 21.14 ATOM 386 NZ LYS 24 7.459 -48.548 -10.235 1.00 63.21 ATOM 387 HZ1 LYS 24 6.593 -48.547 -9.657 1.00 43.12 ATOM 388 HZ2 LYS 24 7.964 -49.441 -10.073 1.00 13.34 ATOM 389 HZ3 LYS 24 7.192 -48.494 -11.238 1.00 62.11 ATOM 390 C LYS 24 10.287 -43.607 -8.398 1.00 43.23 ATOM 391 O LYS 24 10.978 -44.307 -7.663 1.00 61.23 ATOM 392 N GLN 25 10.454 -42.285 -8.494 1.00 11.00 ATOM 393 HN GLN 25 9.856 -41.773 -9.078 1.00 37.63 ATOM 394 CA GLN 25 11.529 -41.580 -7.775 1.00 71.33 ATOM 395 HA GLN 25 12.466 -41.884 -8.218 1.00 32.32 ATOM 396 CB GLN 25 11.379 -40.062 -7.948 1.00 73.13 ATOM 397 HB1 GLN 25 10.417 -39.763 -7.556 1.00 37.63 ATOM 398 HB2 GLN 25 11.411 -39.830 -9.002 1.00 61.31 ATOM 399 CG GLN 25 12.457 -39.235 -7.244 1.00 11.05 ATOM 400 HG1 GLN 25 12.404 -39.431 -6.182 1.00 37.63 ATOM 401 HG2 GLN 25 12.260 -38.187 -7.421 1.00 4.21 ATOM 402 CD GLN 25 13.867 -39.549 -7.727 1.00 61.00 ATOM 403 OE1 GLN 25 14.359 -38.951 -8.681 1.00 54.20 ATOM 404 NE2 GLN 25 14.529 -40.480 -7.068 1.00 13.21 ATOM 405 HE21 GLN 25 14.086 -40.917 -6.312 1.00 31.05 ATOM 406 HE22 GLN 25 15.440 -40.688 -7.359 1.00 72.21 ATOM 407 C GLN 25 11.563 -41.939 -6.278 1.00 64.32 ATOM 408 O GLN 25 12.639 -42.128 -5.711 1.00 64.45 ATOM 409 N LEU 26 10.391 -42.046 -5.647 1.00 53.03 ATOM 410 HN LEU 26 9.564 -41.878 -6.145 1.00 37.63 ATOM 411 CA LEU 26 10.312 -42.420 -4.224 1.00 15.30 ATOM 412 HA LEU 26 10.887 -41.694 -3.665 1.00 75.23 ATOM 413 CB LEU 26 8.856 -42.383 -3.733 1.00 22.13 ATOM 414 HB1 LEU 26 8.818 -42.841 -2.754 1.00 37.63 ATOM 415 HB2 LEU 26 8.257 -42.976 -4.410 1.00 22.35 ATOM 416 CG LEU 26 8.227 -40.983 -3.630 1.00 64.05 ATOM 417 HG LEU 26 8.231 -40.522 -4.608 1.00 3.14 ATOM 418 CD1 LEU 26 6.776 -41.076 -3.160 1.00 72.10 ATOM 419 HD11 LEU 26 6.740 -41.537 -2.182 1.00 63.04 ATOM 420 HD12 LEU 26 6.206 -41.673 -3.859 1.00 41.42 ATOM 421 HD13 LEU 26 6.349 -40.085 -3.105 1.00 33.13 ATOM 422 CD2 LEU 26 9.045 -40.100 -2.688 1.00 12.24 ATOM 423 HD21 LEU 26 9.064 -40.543 -1.703 1.00 11.22 ATOM 424 HD22 LEU 26 8.597 -39.119 -2.632 1.00 75.51 ATOM 425 HD23 LEU 26 10.055 -40.010 -3.063 1.00 64.53 ATOM 426 C LEU 26 10.912 -43.814 -3.975 1.00 13.33 ATOM 427 O LEU 26 11.472 -44.086 -2.911 1.00 71.11 ATOM 428 N TYR 27 10.790 -44.687 -4.966 1.00 44.51 ATOM 429 HN TYR 27 10.319 -44.412 -5.779 1.00 37.63 ATOM 430 CA TYR 27 11.343 -46.043 -4.891 1.00 73.34 ATOM 431 HA TYR 27 11.211 -46.408 -3.882 1.00 14.52 ATOM 432 CB TYR 27 10.592 -46.968 -5.867 1.00 1.21 ATOM 433 HB1 TYR 27 10.912 -47.988 -5.698 1.00 37.63 ATOM 434 HB2 TYR 27 10.841 -46.687 -6.880 1.00 50.33 ATOM 435 CG TYR 27 9.074 -46.925 -5.734 1.00 34.24 ATOM 436 CD1 TYR 27 8.374 -47.963 -5.131 1.00 25.54 ATOM 437 HD1 TYR 27 8.921 -48.808 -4.747 1.00 10.23 ATOM 438 CD2 TYR 27 8.341 -45.846 -6.221 1.00 54.23 ATOM 439 HD2 TYR 27 8.865 -45.027 -6.692 1.00 21.11 ATOM 440 CE1 TYR 27 6.996 -47.931 -5.021 1.00 52.43 ATOM 441 HE1 TYR 27 6.473 -48.751 -4.549 1.00 43.52 ATOM 442 CE2 TYR 27 6.965 -45.805 -6.113 1.00 54.23 ATOM 443 HE2 TYR 27 6.419 -44.957 -6.499 1.00 23.52 ATOM 444 CZ TYR 27 6.296 -46.849 -5.513 1.00 11.32 ATOM 445 OH TYR 27 4.924 -46.813 -5.409 1.00 22.22 ATOM 446 HH TYR 27 4.651 -47.214 -4.573 1.00 23.21 ATOM 447 C TYR 27 12.846 -46.032 -5.233 1.00 54.31 ATOM 448 O TYR 27 13.646 -46.747 -4.624 1.00 40.21 ATOM 449 N GLU 28 13.213 -45.186 -6.197 1.00 42.01 ATOM 450 HN GLU 28 12.530 -44.605 -6.592 1.00 37.63 ATOM 451 CA GLU 28 14.592 -45.095 -6.704 1.00 50.21 ATOM 452 HA GLU 28 14.984 -46.099 -6.786 1.00 5.12 ATOM 453 CB GLU 28 14.587 -44.449 -8.100 1.00 74.31 ATOM 454 HB1 GLU 28 15.598 -44.442 -8.486 1.00 37.63 ATOM 455 HB2 GLU 28 14.243 -43.428 -8.010 1.00 2.21 ATOM 456 CG GLU 28 13.696 -45.166 -9.110 1.00 11.05 ATOM 457 HG1 GLU 28 12.708 -45.272 -8.684 1.00 37.63 ATOM 458 HG2 GLU 28 14.108 -46.148 -9.300 1.00 44.52 ATOM 459 CD GLU 28 13.578 -44.421 -10.433 1.00 14.45 ATOM 460 OE1 GLU 28 13.046 -43.292 -10.441 1.00 31.25 ATOM 461 OE2 GLU 28 13.998 -44.969 -11.475 1.00 22.43 ATOM 462 C GLU 28 15.509 -44.280 -5.775 1.00 4.04 ATOM 463 O GLU 28 16.713 -44.191 -6.015 1.00 11.53 ATOM 464 N LEU 29 14.942 -43.688 -4.721 1.00 34.03 ATOM 465 HN LEU 29 13.983 -43.824 -4.562 1.00 37.63 ATOM 466 CA LEU 29 15.703 -42.820 -3.800 1.00 65.24 ATOM 467 HA LEU 29 15.919 -41.901 -4.327 1.00 12.01 ATOM 468 CB LEU 29 14.863 -42.484 -2.559 1.00 13.14 ATOM 469 HB1 LEU 29 15.494 -41.965 -1.851 1.00 37.63 ATOM 470 HB2 LEU 29 14.543 -43.415 -2.109 1.00 31.45 ATOM 471 CG LEU 29 13.618 -41.619 -2.812 1.00 51.44 ATOM 472 HG LEU 29 12.978 -42.126 -3.519 1.00 2.43 ATOM 473 CD1 LEU 29 12.821 -41.429 -1.521 1.00 30.34 ATOM 474 HD11 LEU 29 11.945 -40.831 -1.722 1.00 63.03 ATOM 475 HD12 LEU 29 13.436 -40.930 -0.785 1.00 43.32 ATOM 476 HD13 LEU 29 12.517 -42.393 -1.140 1.00 15.33 ATOM 477 CD2 LEU 29 14.007 -40.267 -3.417 1.00 13.42 ATOM 478 HD21 LEU 29 14.515 -40.426 -4.359 1.00 12.23 ATOM 479 HD22 LEU 29 14.664 -39.740 -2.740 1.00 53.45 ATOM 480 HD23 LEU 29 13.117 -39.678 -3.586 1.00 24.43 ATOM 481 C LEU 29 17.034 -43.447 -3.350 1.00 14.33 ATOM 482 O LEU 29 18.089 -42.820 -3.447 1.00 63.14 ATOM 483 N ASP 30 16.977 -44.676 -2.844 1.00 22.30 ATOM 484 HN ASP 30 16.115 -45.138 -2.810 1.00 37.63 ATOM 485 CA ASP 30 18.176 -45.348 -2.325 1.00 42.34 ATOM 486 HA ASP 30 19.008 -44.667 -2.430 1.00 23.23 ATOM 487 CB ASP 30 17.971 -45.647 -0.833 1.00 31.10 ATOM 488 HB1 ASP 30 17.320 -46.506 -0.730 1.00 37.63 ATOM 489 HB2 ASP 30 17.501 -44.794 -0.365 1.00 55.40 ATOM 490 CG ASP 30 19.271 -45.931 -0.099 1.00 23.42 ATOM 491 OD1 ASP 30 19.445 -47.058 0.408 1.00 4.10 ATOM 492 OD2 ASP 30 20.119 -45.018 -0.013 1.00 23.54 ATOM 493 C ASP 30 18.502 -46.640 -3.106 1.00 32.14 ATOM 494 O ASP 30 19.472 -47.334 -2.796 1.00 1.20 ATOM 495 N GLY 31 17.694 -46.952 -4.125 1.00 34.05 ATOM 496 HN GLY 31 16.981 -46.331 -4.375 1.00 37.63 ATOM 497 CA GLY 31 17.879 -48.192 -4.886 1.00 61.10 ATOM 498 HA1 GLY 31 18.834 -48.153 -5.392 1.00 37.63 ATOM 499 HA2 GLY 31 17.096 -48.263 -5.627 1.00 21.30 ATOM 500 C GLY 31 17.835 -49.441 -4.002 1.00 24.11 ATOM 501 O GLY 31 18.605 -50.385 -4.194 1.00 64.04 ATOM 502 N ASP 32 16.917 -49.442 -3.041 1.00 62.11 ATOM 503 HN ASP 32 16.260 -48.718 -3.020 1.00 37.63 ATOM 504 CA ASP 32 16.844 -50.490 -2.017 1.00 13.30 ATOM 505 HA ASP 32 17.725 -51.110 -2.111 1.00 44.43 ATOM 506 CB ASP 32 16.856 -49.819 -0.635 1.00 31.43 ATOM 507 HB1 ASP 32 16.098 -49.047 -0.613 1.00 37.63 ATOM 508 HB2 ASP 32 17.823 -49.364 -0.475 1.00 45.35 ATOM 509 CG ASP 32 16.595 -50.786 0.506 1.00 1.45 ATOM 510 OD1 ASP 32 15.554 -50.642 1.181 1.00 73.31 ATOM 511 OD2 ASP 32 17.424 -51.692 0.726 1.00 30.45 ATOM 512 C ASP 32 15.588 -51.374 -2.191 1.00 14.33 ATOM 513 O ASP 32 14.479 -50.860 -2.351 1.00 52.21 ATOM 514 N PRO 33 15.747 -52.719 -2.157 1.00 71.00 ATOM 515 CA PRO 33 14.622 -53.664 -2.309 1.00 60.34 ATOM 516 HA PRO 33 14.183 -53.586 -3.295 1.00 65.31 ATOM 517 CB PRO 33 15.283 -55.050 -2.151 1.00 54.44 ATOM 518 HB1 PRO 33 15.415 -55.500 -3.126 1.00 37.63 ATOM 519 HB2 PRO 33 14.659 -55.687 -1.540 1.00 21.14 ATOM 520 CG PRO 33 16.600 -54.782 -1.496 1.00 43.42 ATOM 521 HG1 PRO 33 17.320 -55.531 -1.793 1.00 37.63 ATOM 522 HG2 PRO 33 16.483 -54.777 -0.421 1.00 63.32 ATOM 523 CD PRO 33 17.028 -53.426 -1.982 1.00 61.21 ATOM 524 HD1 PRO 33 17.554 -53.508 -2.922 1.00 37.63 ATOM 525 HD2 PRO 33 17.646 -52.936 -1.243 1.00 42.22 ATOM 526 C PRO 33 13.518 -53.464 -1.255 1.00 35.10 ATOM 527 O PRO 33 12.328 -53.578 -1.554 1.00 63.53 ATOM 528 N LYS 34 13.917 -53.145 -0.024 1.00 61.51 ATOM 529 HN LYS 34 14.876 -53.045 0.156 1.00 37.63 ATOM 530 CA LYS 34 12.958 -52.926 1.065 1.00 71.52 ATOM 531 HA LYS 34 12.202 -53.698 0.996 1.00 15.22 ATOM 532 CB LYS 34 13.659 -53.048 2.426 1.00 31.10 ATOM 533 HB1 LYS 34 12.968 -52.756 3.206 1.00 37.63 ATOM 534 HB2 LYS 34 14.511 -52.381 2.444 1.00 51.35 ATOM 535 CG LYS 34 14.148 -54.458 2.724 1.00 5.52 ATOM 536 HG1 LYS 34 14.648 -54.464 3.684 1.00 37.63 ATOM 537 HG2 LYS 34 14.843 -54.760 1.952 1.00 0.44 ATOM 538 CD LYS 34 12.986 -55.444 2.762 1.00 12.53 ATOM 539 HD1 LYS 34 12.402 -55.331 1.858 1.00 37.63 ATOM 540 HD2 LYS 34 12.365 -55.222 3.618 1.00 33.20 ATOM 541 CE LYS 34 13.457 -56.885 2.864 1.00 63.54 ATOM 542 HE1 LYS 34 13.935 -57.030 3.822 1.00 37.63 ATOM 543 HE2 LYS 34 14.167 -57.081 2.073 1.00 23.34 ATOM 544 NZ LYS 34 12.322 -57.839 2.740 1.00 13.52 ATOM 545 HZ1 LYS 34 12.676 -58.818 2.726 1.00 14.34 ATOM 546 HZ2 LYS 34 11.798 -57.659 1.858 1.00 14.23 ATOM 547 HZ3 LYS 34 11.673 -57.728 3.546 1.00 5.13 ATOM 548 C LYS 34 12.266 -51.565 0.942 1.00 71.21 ATOM 549 O LYS 34 11.224 -51.334 1.551 1.00 34.31 ATOM 550 N ARG 35 12.846 -50.668 0.145 1.00 42.24 ATOM 551 HN ARG 35 13.696 -50.899 -0.291 1.00 37.63 ATOM 552 CA ARG 35 12.261 -49.343 -0.075 1.00 12.24 ATOM 553 HA ARG 35 12.151 -48.871 0.892 1.00 44.02 ATOM 554 CB ARG 35 13.180 -48.473 -0.955 1.00 41.32 ATOM 555 HB1 ARG 35 12.860 -48.555 -1.985 1.00 37.63 ATOM 556 HB2 ARG 35 14.192 -48.846 -0.877 1.00 42.41 ATOM 557 CG ARG 35 13.179 -46.991 -0.569 1.00 31.04 ATOM 558 HG1 ARG 35 12.358 -46.804 0.111 1.00 37.63 ATOM 559 HG2 ARG 35 13.046 -46.395 -1.461 1.00 30.41 ATOM 560 CD ARG 35 14.487 -46.577 0.108 1.00 74.44 ATOM 561 HD1 ARG 35 14.327 -45.640 0.625 1.00 37.63 ATOM 562 HD2 ARG 35 15.241 -46.440 -0.653 1.00 54.54 ATOM 563 NE ARG 35 14.964 -47.576 1.070 1.00 25.02 ATOM 564 HE ARG 35 14.591 -48.478 1.013 1.00 13.31 ATOM 565 CZ ARG 35 15.882 -47.352 1.973 1.00 32.11 ATOM 566 NH1 ARG 35 16.395 -46.174 2.124 1.00 21.43 ATOM 567 HH11 ARG 35 16.097 -45.422 1.553 1.00 30.23 ATOM 568 HH12 ARG 35 17.096 -46.029 2.824 1.00 2.41 ATOM 569 NH2 ARG 35 16.286 -48.312 2.735 1.00 15.10 ATOM 570 HH21 ARG 35 15.901 -49.229 2.634 1.00 45.14 ATOM 571 HH22 ARG 35 16.986 -48.135 3.425 1.00 43.12 ATOM 572 C ARG 35 10.875 -49.459 -0.727 1.00 23.41 ATOM 573 O ARG 35 9.900 -48.883 -0.243 1.00 14.31 ATOM 574 N LYS 36 10.790 -50.217 -1.822 1.00 14.24 ATOM 575 HN LYS 36 11.590 -50.673 -2.145 1.00 37.63 ATOM 576 CA LYS 36 9.518 -50.385 -2.534 1.00 5.53 ATOM 577 HA LYS 36 9.069 -49.402 -2.595 1.00 5.01 ATOM 578 CB LYS 36 9.714 -50.906 -3.976 1.00 14.34 ATOM 579 HB1 LYS 36 10.238 -50.147 -4.541 1.00 37.63 ATOM 580 HB2 LYS 36 8.739 -51.044 -4.421 1.00 63.32 ATOM 581 CG LYS 36 10.480 -52.225 -4.122 1.00 42.31 ATOM 582 HG1 LYS 36 10.136 -52.726 -5.017 1.00 37.63 ATOM 583 HG2 LYS 36 10.267 -52.846 -3.264 1.00 20.22 ATOM 584 CD LYS 36 11.998 -52.029 -4.221 1.00 21.14 ATOM 585 HD1 LYS 36 12.456 -52.987 -4.427 1.00 37.63 ATOM 586 HD2 LYS 36 12.370 -51.658 -3.280 1.00 74.44 ATOM 587 CE LYS 36 12.396 -51.051 -5.325 1.00 3.45 ATOM 588 HE1 LYS 36 13.472 -50.948 -5.319 1.00 37.63 ATOM 589 HE2 LYS 36 11.947 -50.091 -5.118 1.00 25.43 ATOM 590 NZ LYS 36 11.964 -51.506 -6.675 1.00 13.22 ATOM 591 HZ1 LYS 36 12.345 -52.453 -6.875 1.00 60.13 ATOM 592 HZ2 LYS 36 12.317 -50.848 -7.401 1.00 21.14 ATOM 593 HZ3 LYS 36 10.926 -51.541 -6.734 1.00 51.23 ATOM 594 C LYS 36 8.545 -51.284 -1.756 1.00 32.03 ATOM 595 O LYS 36 7.334 -51.079 -1.816 1.00 73.03 ATOM 596 N GLU 37 9.070 -52.268 -1.018 1.00 10.22 ATOM 597 HN GLU 37 10.033 -52.448 -1.068 1.00 37.63 ATOM 598 CA GLU 37 8.224 -53.099 -0.144 1.00 21.31 ATOM 599 HA GLU 37 7.438 -53.521 -0.755 1.00 72.13 ATOM 600 CB GLU 37 9.037 -54.247 0.485 1.00 72.13 ATOM 601 HB1 GLU 37 8.404 -54.780 1.182 1.00 37.63 ATOM 602 HB2 GLU 37 9.874 -53.827 1.026 1.00 53.51 ATOM 603 CG GLU 37 9.581 -55.252 -0.530 1.00 74.44 ATOM 604 HG1 GLU 37 10.349 -54.769 -1.119 1.00 37.63 ATOM 605 HG2 GLU 37 8.775 -55.559 -1.182 1.00 43.43 ATOM 606 CD GLU 37 10.175 -56.494 0.125 1.00 63.32 ATOM 607 OE1 GLU 37 11.409 -56.566 0.289 1.00 2.00 ATOM 608 OE2 GLU 37 9.404 -57.407 0.488 1.00 43.44 ATOM 609 C GLU 37 7.576 -52.243 0.961 1.00 24.31 ATOM 610 O GLU 37 6.384 -52.369 1.251 1.00 23.33 ATOM 611 N PHE 38 8.376 -51.363 1.565 1.00 23.43 ATOM 612 HN PHE 38 9.326 -51.347 1.328 1.00 37.63 ATOM 613 CA PHE 38 7.885 -50.425 2.582 1.00 41.52 ATOM 614 HA PHE 38 7.446 -51.002 3.384 1.00 13.42 ATOM 615 CB PHE 38 9.056 -49.600 3.140 1.00 24.11 ATOM 616 HB1 PHE 38 9.519 -49.055 2.329 1.00 37.63 ATOM 617 HB2 PHE 38 9.785 -50.274 3.568 1.00 14.43 ATOM 618 CG PHE 38 8.664 -48.603 4.209 1.00 71.42 ATOM 619 CD1 PHE 38 8.243 -47.321 3.870 1.00 33.43 ATOM 620 HD1 PHE 38 8.194 -47.037 2.828 1.00 42.20 ATOM 621 CD2 PHE 38 8.721 -48.946 5.553 1.00 51.33 ATOM 622 HD2 PHE 38 9.047 -49.937 5.835 1.00 45.15 ATOM 623 CE1 PHE 38 7.886 -46.411 4.846 1.00 15.15 ATOM 624 HE1 PHE 38 7.560 -45.419 4.569 1.00 22.45 ATOM 625 CE2 PHE 38 8.366 -48.037 6.531 1.00 62.24 ATOM 626 HE2 PHE 38 8.416 -48.318 7.574 1.00 35.12 ATOM 627 CZ PHE 38 7.949 -46.768 6.177 1.00 40.05 ATOM 628 HZ PHE 38 7.668 -46.057 6.942 1.00 62.14 ATOM 629 C PHE 38 6.816 -49.488 1.999 1.00 2.11 ATOM 630 O PHE 38 5.725 -49.348 2.554 1.00 31.50 ATOM 631 N LEU 39 7.144 -48.845 0.876 1.00 14.22 ATOM 632 HN LEU 39 8.032 -48.993 0.485 1.00 37.63 ATOM 633 CA LEU 39 6.220 -47.917 0.212 1.00 60.12 ATOM 634 HA LEU 39 5.986 -47.133 0.919 1.00 13.03 ATOM 635 CB LEU 39 6.884 -47.283 -1.018 1.00 72.30 ATOM 636 HB1 LEU 39 6.140 -46.698 -1.543 1.00 37.63 ATOM 637 HB2 LEU 39 7.215 -48.080 -1.671 1.00 53.33 ATOM 638 CG LEU 39 8.087 -46.372 -0.718 1.00 64.21 ATOM 639 HG LEU 39 8.849 -46.953 -0.217 1.00 14.51 ATOM 640 CD1 LEU 39 8.689 -45.835 -2.011 1.00 33.02 ATOM 641 HD11 LEU 39 7.951 -45.248 -2.539 1.00 72.30 ATOM 642 HD12 LEU 39 9.002 -46.662 -2.633 1.00 52.45 ATOM 643 HD13 LEU 39 9.545 -45.216 -1.782 1.00 52.15 ATOM 644 CD2 LEU 39 7.684 -45.224 0.211 1.00 13.31 ATOM 645 HD21 LEU 39 8.547 -44.607 0.418 1.00 14.34 ATOM 646 HD22 LEU 39 7.300 -45.625 1.138 1.00 54.23 ATOM 647 HD23 LEU 39 6.920 -44.624 -0.264 1.00 70.34 ATOM 648 C LEU 39 4.911 -48.609 -0.194 1.00 25.44 ATOM 649 O LEU 39 3.837 -48.027 -0.075 1.00 14.34 ATOM 650 N ASP 40 5.002 -49.850 -0.669 1.00 74.31 ATOM 651 HN ASP 40 5.888 -50.257 -0.778 1.00 37.63 ATOM 652 CA ASP 40 3.810 -50.618 -1.040 1.00 72.15 ATOM 653 HA ASP 40 3.262 -50.037 -1.769 1.00 53.13 ATOM 654 CB ASP 40 4.210 -51.956 -1.670 1.00 61.03 ATOM 655 HB1 ASP 40 4.751 -52.544 -0.942 1.00 37.63 ATOM 656 HB2 ASP 40 4.850 -51.769 -2.521 1.00 54.33 ATOM 657 CG ASP 40 3.005 -52.753 -2.139 1.00 13.33 ATOM 658 OD1 ASP 40 2.540 -53.642 -1.396 1.00 51.25 ATOM 659 OD2 ASP 40 2.507 -52.485 -3.251 1.00 54.21 ATOM 660 C ASP 40 2.906 -50.856 0.181 1.00 61.42 ATOM 661 O ASP 40 1.705 -50.579 0.141 1.00 13.34 ATOM 662 N ASP 41 3.493 -51.366 1.265 1.00 71.12 ATOM 663 HN ASP 41 4.446 -51.598 1.224 1.00 37.63 ATOM 664 CA ASP 41 2.755 -51.601 2.513 1.00 65.34 ATOM 665 HA ASP 41 1.943 -52.283 2.293 1.00 72.33 ATOM 666 CB ASP 41 3.681 -52.246 3.556 1.00 61.01 ATOM 667 HB1 ASP 41 4.434 -51.528 3.851 1.00 37.63 ATOM 668 HB2 ASP 41 4.169 -53.103 3.112 1.00 3.12 ATOM 669 CG ASP 41 2.937 -52.709 4.801 1.00 25.01 ATOM 670 OD1 ASP 41 3.168 -52.143 5.893 1.00 31.23 ATOM 671 OD2 ASP 41 2.116 -53.644 4.689 1.00 32.12 ATOM 672 C ASP 41 2.164 -50.289 3.059 1.00 10.20 ATOM 673 O ASP 41 1.046 -50.262 3.570 1.00 3.10 ATOM 674 N LEU 42 2.926 -49.205 2.930 1.00 24.10 ATOM 675 HN LEU 42 3.823 -49.303 2.544 1.00 37.63 ATOM 676 CA LEU 42 2.476 -47.870 3.347 1.00 42.23 ATOM 677 HA LEU 42 2.189 -47.927 4.388 1.00 31.14 ATOM 678 CB LEU 42 3.634 -46.870 3.203 1.00 14.23 ATOM 679 HB1 LEU 42 4.038 -46.967 2.205 1.00 37.63 ATOM 680 HB2 LEU 42 4.407 -47.146 3.909 1.00 4.43 ATOM 681 CG LEU 42 3.274 -45.390 3.432 1.00 74.22 ATOM 682 HG LEU 42 2.472 -45.118 2.758 1.00 23.25 ATOM 683 CD1 LEU 42 2.775 -45.159 4.856 1.00 61.22 ATOM 684 HD11 LEU 42 2.514 -44.118 4.982 1.00 23.25 ATOM 685 HD12 LEU 42 3.551 -45.423 5.562 1.00 33.33 ATOM 686 HD13 LEU 42 1.903 -45.771 5.036 1.00 44.53 ATOM 687 CD2 LEU 42 4.470 -44.489 3.120 1.00 32.00 ATOM 688 HD21 LEU 42 4.766 -44.628 2.090 1.00 70.43 ATOM 689 HD22 LEU 42 5.297 -44.741 3.769 1.00 64.10 ATOM 690 HD23 LEU 42 4.193 -43.456 3.276 1.00 40.44 ATOM 691 C LEU 42 1.266 -47.397 2.522 1.00 12.32 ATOM 692 O LEU 42 0.193 -47.129 3.069 1.00 70.41 ATOM 693 N PHE 43 1.446 -47.320 1.201 1.00 11.10 ATOM 694 HN PHE 43 2.316 -47.572 0.829 1.00 37.63 ATOM 695 CA PHE 43 0.389 -46.864 0.287 1.00 4.23 ATOM 696 HA PHE 43 0.134 -45.848 0.559 1.00 1.23 ATOM 697 CB PHE 43 0.895 -46.877 -1.167 1.00 12.31 ATOM 698 HB1 PHE 43 0.072 -46.631 -1.826 1.00 37.63 ATOM 699 HB2 PHE 43 1.249 -47.869 -1.404 1.00 12.02 ATOM 700 CG PHE 43 2.022 -45.911 -1.462 1.00 2.15 ATOM 701 CD1 PHE 43 2.634 -45.177 -0.451 1.00 21.33 ATOM 702 HD1 PHE 43 2.297 -45.293 0.569 1.00 51.40 ATOM 703 CD2 PHE 43 2.475 -45.746 -2.764 1.00 42.12 ATOM 704 HD2 PHE 43 2.012 -46.310 -3.560 1.00 22.45 ATOM 705 CE1 PHE 43 3.664 -44.302 -0.736 1.00 20.35 ATOM 706 HE1 PHE 43 4.131 -43.739 0.060 1.00 34.44 ATOM 707 CE2 PHE 43 3.504 -44.871 -3.053 1.00 71.32 ATOM 708 HE2 PHE 43 3.844 -44.755 -4.072 1.00 62.23 ATOM 709 CZ PHE 43 4.102 -44.150 -2.037 1.00 0.55 ATOM 710 HZ PHE 43 4.908 -43.466 -2.261 1.00 73.21 ATOM 711 C PHE 43 -0.869 -47.736 0.408 1.00 44.33 ATOM 712 O PHE 43 -1.992 -47.233 0.397 1.00 1.34 ATOM 713 N SER 44 -0.667 -49.047 0.534 1.00 71.33 ATOM 714 HN SER 44 0.253 -49.389 0.516 1.00 37.63 ATOM 715 CA SER 44 -1.780 -49.991 0.694 1.00 1.03 ATOM 716 HA SER 44 -2.493 -49.795 -0.097 1.00 52.34 ATOM 717 CB SER 44 -1.283 -51.439 0.559 1.00 63.45 ATOM 718 HB1 SER 44 -2.110 -52.120 0.704 1.00 37.63 ATOM 719 HB2 SER 44 -0.526 -51.631 1.307 1.00 23.21 ATOM 720 OG SER 44 -0.719 -51.673 -0.727 1.00 70.20 ATOM 721 HG SER 44 0.217 -51.427 -0.714 1.00 20.24 ATOM 722 C SER 44 -2.484 -49.798 2.044 1.00 61.13 ATOM 723 O SER 44 -3.710 -49.747 2.111 1.00 55.23 ATOM 724 N PHE 45 -1.703 -49.670 3.116 1.00 25.31 ATOM 725 HN PHE 45 -0.728 -49.702 3.004 1.00 37.63 ATOM 726 CA PHE 45 -2.262 -49.479 4.461 1.00 23.42 ATOM 727 HA PHE 45 -2.868 -50.346 4.688 1.00 31.52 ATOM 728 CB PHE 45 -1.136 -49.375 5.501 1.00 42.32 ATOM 729 HB1 PHE 45 -0.501 -48.535 5.251 1.00 37.63 ATOM 730 HB2 PHE 45 -0.547 -50.282 5.473 1.00 23.13 ATOM 731 CG PHE 45 -1.630 -49.188 6.914 1.00 41.25 ATOM 732 CD1 PHE 45 -2.143 -50.259 7.632 1.00 51.20 ATOM 733 HD1 PHE 45 -2.183 -51.236 7.171 1.00 14.34 ATOM 734 CD2 PHE 45 -1.585 -47.942 7.524 1.00 10.25 ATOM 735 HD2 PHE 45 -1.189 -47.098 6.979 1.00 24.52 ATOM 736 CE1 PHE 45 -2.598 -50.091 8.925 1.00 31.51 ATOM 737 HE1 PHE 45 -2.995 -50.934 9.473 1.00 15.23 ATOM 738 CE2 PHE 45 -2.039 -47.771 8.817 1.00 44.24 ATOM 739 HE2 PHE 45 -1.997 -46.795 9.280 1.00 5.50 ATOM 740 CZ PHE 45 -2.546 -48.846 9.519 1.00 14.11 ATOM 741 HZ PHE 45 -2.902 -48.713 10.531 1.00 50.32 ATOM 742 C PHE 45 -3.155 -48.229 4.524 1.00 44.44 ATOM 743 O PHE 45 -4.304 -48.294 4.974 1.00 3.42 ATOM 744 N MET 46 -2.628 -47.092 4.065 1.00 72.21 ATOM 745 HN MET 46 -1.702 -47.090 3.732 1.00 37.63 ATOM 746 CA MET 46 -3.401 -45.845 4.053 1.00 52.54 ATOM 747 HA MET 46 -3.801 -45.712 5.049 1.00 64.21 ATOM 748 CB MET 46 -2.503 -44.641 3.727 1.00 54.33 ATOM 749 HB1 MET 46 -1.741 -44.557 4.492 1.00 37.63 ATOM 750 HB2 MET 46 -3.108 -43.745 3.744 1.00 5.31 ATOM 751 CG MET 46 -1.811 -44.717 2.373 1.00 3.33 ATOM 752 HG1 MET 46 -2.563 -44.708 1.596 1.00 37.63 ATOM 753 HG2 MET 46 -1.253 -45.640 2.319 1.00 14.34 ATOM 754 SD MET 46 -0.673 -43.345 2.093 1.00 1.53 ATOM 755 CE MET 46 -1.773 -41.947 2.302 1.00 50.23 ATOM 756 HE1 MET 46 -2.557 -41.988 1.558 1.00 23.14 ATOM 757 HE2 MET 46 -1.215 -41.032 2.184 1.00 65.43 ATOM 758 HE3 MET 46 -2.212 -41.976 3.289 1.00 62.44 ATOM 759 C MET 46 -4.588 -45.936 3.072 1.00 30.23 ATOM 760 O MET 46 -5.650 -45.361 3.312 1.00 61.40 ATOM 761 N GLN 47 -4.417 -46.685 1.985 1.00 73.34 ATOM 762 HN GLN 47 -3.536 -47.077 1.808 1.00 37.63 ATOM 763 CA GLN 47 -5.510 -46.927 1.035 1.00 2.34 ATOM 764 HA GLN 47 -5.848 -45.967 0.667 1.00 53.24 ATOM 765 CB GLN 47 -5.008 -47.766 -0.149 1.00 71.43 ATOM 766 HB1 GLN 47 -4.606 -48.696 0.229 1.00 37.63 ATOM 767 HB2 GLN 47 -4.217 -47.223 -0.647 1.00 42.11 ATOM 768 CG GLN 47 -6.084 -48.094 -1.179 1.00 73.43 ATOM 769 HG1 GLN 47 -6.458 -47.170 -1.598 1.00 37.63 ATOM 770 HG2 GLN 47 -6.892 -48.615 -0.684 1.00 51.23 ATOM 771 CD GLN 47 -5.570 -48.969 -2.310 1.00 41.14 ATOM 772 OE1 GLN 47 -4.661 -49.777 -2.128 1.00 34.34 ATOM 773 NE2 GLN 47 -6.153 -48.824 -3.481 1.00 3.30 ATOM 774 HE21 GLN 47 -6.880 -48.172 -3.559 1.00 35.21 ATOM 775 HE22 GLN 47 -5.833 -49.375 -4.223 1.00 3.22 ATOM 776 C GLN 47 -6.692 -47.641 1.713 1.00 14.52 ATOM 777 O GLN 47 -7.844 -47.221 1.580 1.00 53.14 ATOM 778 N LYS 48 -6.395 -48.710 2.451 1.00 25.23 ATOM 779 HN LYS 48 -5.452 -48.973 2.542 1.00 37.63 ATOM 780 CA LYS 48 -7.426 -49.517 3.125 1.00 60.52 ATOM 781 HA LYS 48 -8.067 -49.932 2.359 1.00 52.11 ATOM 782 CB LYS 48 -6.767 -50.672 3.894 1.00 21.05 ATOM 783 HB1 LYS 48 -7.538 -51.247 4.389 1.00 37.63 ATOM 784 HB2 LYS 48 -6.103 -50.260 4.642 1.00 71.41 ATOM 785 CG LYS 48 -5.960 -51.617 3.005 1.00 5.32 ATOM 786 HG1 LYS 48 -5.260 -51.035 2.423 1.00 37.63 ATOM 787 HG2 LYS 48 -6.637 -52.132 2.338 1.00 13.45 ATOM 788 CD LYS 48 -5.187 -52.654 3.817 1.00 70.01 ATOM 789 HD1 LYS 48 -5.892 -53.304 4.318 1.00 37.63 ATOM 790 HD2 LYS 48 -4.582 -52.144 4.553 1.00 41.20 ATOM 791 CE LYS 48 -4.275 -53.502 2.934 1.00 25.24 ATOM 792 HE1 LYS 48 -3.728 -54.191 3.562 1.00 37.63 ATOM 793 HE2 LYS 48 -3.578 -52.851 2.426 1.00 24.04 ATOM 794 NZ LYS 48 -5.041 -54.277 1.920 1.00 53.34 ATOM 795 HZ1 LYS 48 -5.754 -54.874 2.388 1.00 12.45 ATOM 796 HZ2 LYS 48 -4.400 -54.891 1.378 1.00 1.44 ATOM 797 HZ3 LYS 48 -5.524 -53.636 1.260 1.00 65.33 ATOM 798 C LYS 48 -8.290 -48.673 4.082 1.00 13.42 ATOM 799 O LYS 48 -9.514 -48.815 4.114 1.00 43.02 ATOM 800 N ARG 49 -7.650 -47.783 4.847 1.00 31.42 ATOM 801 HN ARG 49 -6.673 -47.715 4.780 1.00 37.63 ATOM 802 CA ARG 49 -8.370 -46.911 5.796 1.00 51.45 ATOM 803 HA ARG 49 -9.083 -47.531 6.322 1.00 52.04 ATOM 804 CB ARG 49 -7.397 -46.310 6.827 1.00 71.11 ATOM 805 HB1 ARG 49 -7.052 -47.101 7.480 1.00 37.63 ATOM 806 HB2 ARG 49 -7.925 -45.576 7.419 1.00 44.43 ATOM 807 CG ARG 49 -6.179 -45.638 6.206 1.00 34.33 ATOM 808 HG1 ARG 49 -6.517 -44.851 5.547 1.00 37.63 ATOM 809 HG2 ARG 49 -5.633 -46.373 5.631 1.00 4.22 ATOM 810 CD ARG 49 -5.242 -45.039 7.253 1.00 75.33 ATOM 811 HD1 ARG 49 -4.268 -44.900 6.804 1.00 37.63 ATOM 812 HD2 ARG 49 -5.154 -45.730 8.079 1.00 34.32 ATOM 813 NE ARG 49 -5.712 -43.746 7.759 1.00 21.53 ATOM 814 HE ARG 49 -5.667 -42.978 7.152 1.00 33.10 ATOM 815 CZ ARG 49 -6.139 -43.539 8.976 1.00 12.53 ATOM 816 NH1 ARG 49 -6.255 -44.521 9.810 1.00 51.53 ATOM 817 HH11 ARG 49 -6.020 -45.443 9.531 1.00 20.41 ATOM 818 HH12 ARG 49 -6.583 -44.348 10.739 1.00 62.03 ATOM 819 NH2 ARG 49 -6.455 -42.343 9.348 1.00 10.24 ATOM 820 HH21 ARG 49 -6.370 -41.584 8.705 1.00 64.51 ATOM 821 HH22 ARG 49 -6.773 -42.178 10.281 1.00 64.12 ATOM 822 C ARG 49 -9.152 -45.789 5.082 1.00 34.20 ATOM 823 O ARG 49 -9.831 -44.986 5.727 1.00 54.11 ATOM 824 N GLY 50 -9.050 -45.739 3.753 1.00 4.32 ATOM 825 HN GLY 50 -8.448 -46.362 3.297 1.00 37.63 ATOM 826 CA GLY 50 -9.829 -44.782 2.970 1.00 12.42 ATOM 827 HA1 GLY 50 -10.703 -44.494 3.539 1.00 37.63 ATOM 828 HA2 GLY 50 -10.158 -45.272 2.065 1.00 43.31 ATOM 829 C GLY 50 -9.060 -43.523 2.582 1.00 62.10 ATOM 830 O GLY 50 -9.658 -42.469 2.362 1.00 40.33 ATOM 831 N THR 51 -7.736 -43.621 2.490 1.00 54.22 ATOM 832 HN THR 51 -7.303 -44.476 2.698 1.00 37.63 ATOM 833 CA THR 51 -6.905 -42.474 2.085 1.00 64.23 ATOM 834 HA THR 51 -7.513 -41.845 1.446 1.00 13.11 ATOM 835 CB THR 51 -6.467 -41.619 3.311 1.00 73.34 ATOM 836 HB THR 51 -7.354 -41.186 3.755 1.00 5.35 ATOM 837 OG1 THR 51 -5.598 -40.549 2.905 1.00 2.33 ATOM 838 HG1 THR 51 -5.486 -39.939 3.646 1.00 42.44 ATOM 839 CG2 THR 51 -5.773 -42.465 4.373 1.00 73.31 ATOM 840 HG21 THR 51 -6.446 -43.239 4.714 1.00 73.24 ATOM 841 HG22 THR 51 -5.494 -41.839 5.208 1.00 21.13 ATOM 842 HG23 THR 51 -4.888 -42.920 3.952 1.00 74.20 ATOM 843 C THR 51 -5.669 -42.920 1.278 1.00 35.01 ATOM 844 O THR 51 -4.566 -43.028 1.808 1.00 41.30 ATOM 845 N PRO 52 -5.846 -43.225 -0.025 1.00 43.43 ATOM 846 CA PRO 52 -4.723 -43.583 -0.910 1.00 4.33 ATOM 847 HA PRO 52 -4.084 -44.329 -0.457 1.00 24.33 ATOM 848 CB PRO 52 -5.426 -44.180 -2.137 1.00 13.21 ATOM 849 HB1 PRO 52 -5.532 -45.248 -2.012 1.00 37.63 ATOM 850 HB2 PRO 52 -4.849 -43.973 -3.029 1.00 45.25 ATOM 851 CG PRO 52 -6.754 -43.501 -2.173 1.00 5.21 ATOM 852 HG1 PRO 52 -7.481 -44.140 -2.654 1.00 37.63 ATOM 853 HG2 PRO 52 -6.673 -42.563 -2.705 1.00 44.35 ATOM 854 CD PRO 52 -7.141 -43.258 -0.733 1.00 53.11 ATOM 855 HD1 PRO 52 -7.760 -44.064 -0.365 1.00 37.63 ATOM 856 HD2 PRO 52 -7.658 -42.313 -0.635 1.00 53.40 ATOM 857 C PRO 52 -3.877 -42.360 -1.303 1.00 3.15 ATOM 858 O PRO 52 -4.250 -41.216 -1.024 1.00 72.23 ATOM 859 N VAL 53 -2.744 -42.594 -1.958 1.00 53.02 ATOM 860 HN VAL 53 -2.500 -43.518 -2.184 1.00 37.63 ATOM 861 CA VAL 53 -1.856 -41.498 -2.356 1.00 34.31 ATOM 862 HA VAL 53 -1.775 -40.824 -1.513 1.00 13.44 ATOM 863 CB VAL 53 -0.432 -42.007 -2.695 1.00 74.44 ATOM 864 HB VAL 53 -0.502 -42.682 -3.539 1.00 52.52 ATOM 865 CG1 VAL 53 0.486 -40.847 -3.087 1.00 24.32 ATOM 866 HG11 VAL 53 1.470 -41.228 -3.323 1.00 11.02 ATOM 867 HG12 VAL 53 0.559 -40.150 -2.265 1.00 4.35 ATOM 868 HG13 VAL 53 0.080 -40.341 -3.952 1.00 54.01 ATOM 869 CG2 VAL 53 0.151 -42.782 -1.514 1.00 60.42 ATOM 870 HG21 VAL 53 0.213 -42.135 -0.651 1.00 41.23 ATOM 871 HG22 VAL 53 1.140 -43.138 -1.767 1.00 1.11 ATOM 872 HG23 VAL 53 -0.485 -43.627 -1.286 1.00 25.40 ATOM 873 C VAL 53 -2.433 -40.715 -3.548 1.00 41.01 ATOM 874 O VAL 53 -2.211 -41.061 -4.712 1.00 43.13 ATOM 875 N ASN 54 -3.213 -39.682 -3.238 1.00 2.42 ATOM 876 HN ASN 54 -3.421 -39.517 -2.293 1.00 37.63 ATOM 877 CA ASN 54 -3.789 -38.797 -4.258 1.00 41.23 ATOM 878 HA ASN 54 -4.242 -39.407 -5.026 1.00 4.31 ATOM 879 CB ASN 54 -4.857 -37.902 -3.623 1.00 22.42 ATOM 880 HB1 ASN 54 -5.413 -37.405 -4.406 1.00 37.63 ATOM 881 HB2 ASN 54 -4.375 -37.158 -3.006 1.00 41.41 ATOM 882 CG ASN 54 -5.837 -38.675 -2.757 1.00 53.22 ATOM 883 OD1 ASN 54 -6.291 -38.178 -1.734 1.00 45.22 ATOM 884 ND2 ASN 54 -6.183 -39.883 -3.157 1.00 1.15 ATOM 885 HD21 ASN 54 -5.800 -40.228 -3.991 1.00 14.13 ATOM 886 HD22 ASN 54 -6.817 -40.383 -2.605 1.00 54.44 ATOM 887 C ASN 54 -2.695 -37.921 -4.880 1.00 33.14 ATOM 888 O ASN 54 -2.603 -37.769 -6.100 1.00 14.22 ATOM 889 N ARG 55 -1.874 -37.350 -4.007 1.00 52.01 ATOM 890 HN ARG 55 -2.024 -37.509 -3.052 1.00 37.63 ATOM 891 CA ARG 55 -0.746 -36.511 -4.404 1.00 4.22 ATOM 892 HA ARG 55 -0.483 -36.755 -5.424 1.00 51.01 ATOM 893 CB ARG 55 -1.121 -35.026 -4.317 1.00 21.15 ATOM 894 HB1 ARG 55 -1.918 -34.828 -5.019 1.00 37.63 ATOM 895 HB2 ARG 55 -0.259 -34.431 -4.589 1.00 51.54 ATOM 896 CG ARG 55 -1.587 -34.595 -2.925 1.00 51.15 ATOM 897 HG1 ARG 55 -1.084 -35.200 -2.183 1.00 37.63 ATOM 898 HG2 ARG 55 -2.654 -34.749 -2.850 1.00 52.11 ATOM 899 CD ARG 55 -1.279 -33.126 -2.656 1.00 24.22 ATOM 900 HD1 ARG 55 -1.673 -32.858 -1.685 1.00 37.63 ATOM 901 HD2 ARG 55 -1.756 -32.523 -3.416 1.00 41.54 ATOM 902 NE ARG 55 0.165 -32.869 -2.676 1.00 43.52 ATOM 903 HE ARG 55 0.726 -33.489 -3.179 1.00 22.31 ATOM 904 CZ ARG 55 0.750 -31.884 -2.053 1.00 22.25 ATOM 905 NH1 ARG 55 0.056 -31.024 -1.381 1.00 51.30 ATOM 906 HH11 ARG 55 -0.939 -31.104 -1.345 1.00 62.14 ATOM 907 HH12 ARG 55 0.516 -30.298 -0.875 1.00 72.53 ATOM 908 NH2 ARG 55 2.037 -31.760 -2.110 1.00 4.43 ATOM 909 HH21 ARG 55 2.578 -32.421 -2.628 1.00 1.20 ATOM 910 HH22 ARG 55 2.488 -31.000 -1.641 1.00 34.11 ATOM 911 C ARG 55 0.461 -36.781 -3.500 1.00 33.42 ATOM 912 O ARG 55 0.341 -37.435 -2.465 1.00 35.15 ATOM 913 N ILE 56 1.620 -36.270 -3.895 1.00 10.33 ATOM 914 HN ILE 56 1.662 -35.789 -4.745 1.00 37.63 ATOM 915 CA ILE 56 2.842 -36.416 -3.103 1.00 30.51 ATOM 916 HA ILE 56 2.630 -37.078 -2.274 1.00 31.11 ATOM 917 CB ILE 56 3.971 -37.054 -3.956 1.00 61.11 ATOM 918 HB ILE 56 4.172 -36.399 -4.794 1.00 33.40 ATOM 919 CG1 ILE 56 3.513 -38.423 -4.489 1.00 51.23 ATOM 920 HG11 ILE 56 2.618 -38.290 -5.082 1.00 37.63 ATOM 921 HG12 ILE 56 3.290 -39.070 -3.654 1.00 63.21 ATOM 922 CG2 ILE 56 5.259 -37.196 -3.146 1.00 22.11 ATOM 923 HG21 ILE 56 5.073 -37.817 -2.282 1.00 30.22 ATOM 924 HG22 ILE 56 5.594 -36.221 -2.822 1.00 2.15 ATOM 925 HG23 ILE 56 6.024 -37.653 -3.758 1.00 45.51 ATOM 926 CD1 ILE 56 4.540 -39.124 -5.350 1.00 72.31 ATOM 927 HD11 ILE 56 4.787 -38.503 -6.199 1.00 60.55 ATOM 928 HD12 ILE 56 4.134 -40.063 -5.699 1.00 24.13 ATOM 929 HD13 ILE 56 5.431 -39.312 -4.770 1.00 43.40 ATOM 930 C ILE 56 3.303 -35.054 -2.548 1.00 71.30 ATOM 931 O ILE 56 3.249 -34.037 -3.252 1.00 60.51 ATOM 932 N PRO 57 3.717 -35.001 -1.264 1.00 13.23 ATOM 933 CA PRO 57 4.258 -33.772 -0.657 1.00 23.01 ATOM 934 HA PRO 57 3.543 -32.961 -0.716 1.00 61.53 ATOM 935 CB PRO 57 4.472 -34.159 0.817 1.00 72.02 ATOM 936 HB1 PRO 57 3.631 -33.820 1.407 1.00 37.63 ATOM 937 HB2 PRO 57 5.380 -33.704 1.190 1.00 63.45 ATOM 938 CG PRO 57 4.566 -35.649 0.815 1.00 45.45 ATOM 939 HG1 PRO 57 4.229 -36.044 1.763 1.00 37.63 ATOM 940 HG2 PRO 57 5.586 -35.954 0.624 1.00 22.53 ATOM 941 CD PRO 57 3.665 -36.116 -0.295 1.00 32.21 ATOM 942 HD1 PRO 57 2.658 -36.261 0.069 1.00 37.63 ATOM 943 HD2 PRO 57 4.046 -37.028 -0.733 1.00 52.42 ATOM 944 C PRO 57 5.581 -33.320 -1.304 1.00 74.02 ATOM 945 O PRO 57 6.587 -34.030 -1.261 1.00 41.34 ATOM 946 N ILE 58 5.566 -32.140 -1.917 1.00 45.22 ATOM 947 HN ILE 58 4.728 -31.637 -1.958 1.00 37.63 ATOM 948 CA ILE 58 6.767 -31.564 -2.528 1.00 3.04 ATOM 949 HA ILE 58 7.508 -32.348 -2.626 1.00 45.24 ATOM 950 CB ILE 58 6.462 -30.996 -3.942 1.00 41.14 ATOM 951 HB ILE 58 5.727 -30.209 -3.834 1.00 52.24 ATOM 952 CG1 ILE 58 5.882 -32.093 -4.855 1.00 22.11 ATOM 953 HG11 ILE 58 5.640 -31.662 -5.816 1.00 37.63 ATOM 954 HG12 ILE 58 4.980 -32.485 -4.408 1.00 64.34 ATOM 955 CG2 ILE 58 7.715 -30.381 -4.570 1.00 34.43 ATOM 956 HG21 ILE 58 8.069 -29.569 -3.951 1.00 11.42 ATOM 957 HG22 ILE 58 7.478 -30.003 -5.554 1.00 63.44 ATOM 958 HG23 ILE 58 8.488 -31.133 -4.651 1.00 53.44 ATOM 959 CD1 ILE 58 6.818 -33.263 -5.096 1.00 70.14 ATOM 960 HD11 ILE 58 6.345 -33.968 -5.764 1.00 23.51 ATOM 961 HD12 ILE 58 7.039 -33.750 -4.158 1.00 43.33 ATOM 962 HD13 ILE 58 7.735 -32.907 -5.543 1.00 53.31 ATOM 963 C ILE 58 7.335 -30.450 -1.636 1.00 21.14 ATOM 964 O ILE 58 6.610 -29.534 -1.238 1.00 30.31 ATOM 965 N MET 59 8.622 -30.539 -1.317 1.00 40.31 ATOM 966 HN MET 59 9.152 -31.278 -1.686 1.00 37.63 ATOM 967 CA MET 59 9.279 -29.563 -0.439 1.00 63.04 ATOM 968 HA MET 59 8.582 -28.759 -0.247 1.00 2.35 ATOM 969 CB MET 59 9.655 -30.228 0.896 1.00 40.44 ATOM 970 HB1 MET 59 10.260 -31.100 0.693 1.00 37.63 ATOM 971 HB2 MET 59 8.749 -30.540 1.398 1.00 4.44 ATOM 972 CG MET 59 10.432 -29.316 1.838 1.00 44.32 ATOM 973 HG1 MET 59 11.337 -28.991 1.342 1.00 37.63 ATOM 974 HG2 MET 59 10.694 -29.875 2.725 1.00 52.34 ATOM 975 SD MET 59 9.495 -27.857 2.336 1.00 44.52 ATOM 976 CE MET 59 8.209 -28.594 3.343 1.00 72.15 ATOM 977 HE1 MET 59 8.660 -29.119 4.174 1.00 61.12 ATOM 978 HE2 MET 59 7.636 -29.287 2.745 1.00 75.24 ATOM 979 HE3 MET 59 7.556 -27.820 3.717 1.00 62.03 ATOM 980 C MET 59 10.538 -28.980 -1.099 1.00 3.34 ATOM 981 O MET 59 11.352 -29.716 -1.643 1.00 75.12 ATOM 982 N ALA 60 10.681 -27.655 -1.055 1.00 24.53 ATOM 983 HN ALA 60 9.958 -27.116 -0.671 1.00 37.63 ATOM 984 CA ALA 60 11.887 -26.976 -1.557 1.00 51.22 ATOM 985 HA ALA 60 11.670 -25.916 -1.594 1.00 61.00 ATOM 986 CB ALA 60 13.041 -27.180 -0.576 1.00 34.20 ATOM 987 HB1 ALA 60 13.903 -26.618 -0.907 1.00 31.30 ATOM 988 HB2 ALA 60 13.293 -28.229 -0.528 1.00 41.51 ATOM 989 HB3 ALA 60 12.745 -26.837 0.406 1.00 20.23 ATOM 990 C ALA 60 12.289 -27.443 -2.973 1.00 45.41 ATOM 991 O ALA 60 13.449 -27.787 -3.216 1.00 45.41 ATOM 992 N LYS 61 11.322 -27.449 -3.900 1.00 73.14 ATOM 993 HN LYS 61 10.413 -27.191 -3.633 1.00 37.63 ATOM 994 CA LYS 61 11.564 -27.813 -5.311 1.00 53.44 ATOM 995 HA LYS 61 10.670 -27.556 -5.860 1.00 51.54 ATOM 996 CB LYS 61 12.738 -26.999 -5.889 1.00 2.33 ATOM 997 HB1 LYS 61 12.864 -27.262 -6.931 1.00 37.63 ATOM 998 HB2 LYS 61 13.639 -27.265 -5.354 1.00 31.11 ATOM 999 CG LYS 61 12.562 -25.483 -5.794 1.00 42.12 ATOM 1000 HG1 LYS 61 13.482 -25.007 -6.107 1.00 37.63 ATOM 1001 HG2 LYS 61 12.356 -25.220 -4.767 1.00 61.10 ATOM 1002 CD LYS 61 11.420 -24.974 -6.670 1.00 3.43 ATOM 1003 HD1 LYS 61 11.320 -23.907 -6.531 1.00 37.63 ATOM 1004 HD2 LYS 61 10.504 -25.463 -6.371 1.00 75.25 ATOM 1005 CE LYS 61 11.671 -25.259 -8.147 1.00 4.04 ATOM 1006 HE1 LYS 61 10.873 -24.814 -8.727 1.00 37.63 ATOM 1007 HE2 LYS 61 11.667 -26.327 -8.300 1.00 63.11 ATOM 1008 NZ LYS 61 12.973 -24.709 -8.615 1.00 22.30 ATOM 1009 HZ1 LYS 61 12.992 -23.675 -8.492 1.00 43.02 ATOM 1010 HZ2 LYS 61 13.115 -24.928 -9.621 1.00 1.23 ATOM 1011 HZ3 LYS 61 13.756 -25.124 -8.071 1.00 22.12 ATOM 1012 C LYS 61 11.830 -29.324 -5.518 1.00 23.04 ATOM 1013 O LYS 61 11.987 -29.775 -6.655 1.00 60.41 ATOM 1014 N GLN 62 11.861 -30.105 -4.437 1.00 22.30 ATOM 1015 HN GLN 62 11.696 -29.708 -3.555 1.00 37.63 ATOM 1016 CA GLN 62 12.140 -31.548 -4.527 1.00 63.20 ATOM 1017 HA GLN 62 12.158 -31.809 -5.577 1.00 61.12 ATOM 1018 CB GLN 62 13.530 -31.851 -3.926 1.00 44.11 ATOM 1019 HB1 GLN 62 14.279 -31.369 -4.540 1.00 37.63 ATOM 1020 HB2 GLN 62 13.695 -32.919 -3.955 1.00 13.04 ATOM 1021 CG GLN 62 13.723 -31.379 -2.480 1.00 73.42 ATOM 1022 HG1 GLN 62 13.242 -30.418 -2.367 1.00 37.63 ATOM 1023 HG2 GLN 62 14.780 -31.268 -2.292 1.00 64.42 ATOM 1024 CD GLN 62 13.151 -32.335 -1.439 1.00 51.44 ATOM 1025 OE1 GLN 62 12.665 -31.919 -0.393 1.00 54.51 ATOM 1026 NE2 GLN 62 13.236 -33.624 -1.701 1.00 21.41 ATOM 1027 HE21 GLN 62 13.656 -33.904 -2.537 1.00 43.42 ATOM 1028 HE22 GLN 62 12.863 -34.251 -1.044 1.00 10.21 ATOM 1029 C GLN 62 11.034 -32.385 -3.852 1.00 31.23 ATOM 1030 O GLN 62 10.145 -31.843 -3.198 1.00 21.42 ATOM 1031 N VAL 63 11.084 -33.705 -4.026 1.00 11.20 ATOM 1032 HN VAL 63 11.838 -34.093 -4.519 1.00 37.63 ATOM 1033 CA VAL 63 10.047 -34.597 -3.486 1.00 23.33 ATOM 1034 HA VAL 63 9.117 -34.041 -3.468 1.00 54.14 ATOM 1035 CB VAL 63 9.841 -35.838 -4.399 1.00 13.33 ATOM 1036 HB VAL 63 9.596 -35.480 -5.391 1.00 34.12 ATOM 1037 CG1 VAL 63 11.120 -36.670 -4.511 1.00 62.14 ATOM 1038 HG11 VAL 63 11.434 -36.989 -3.526 1.00 34.15 ATOM 1039 HG12 VAL 63 11.901 -36.073 -4.960 1.00 32.44 ATOM 1040 HG13 VAL 63 10.934 -37.538 -5.127 1.00 53.21 ATOM 1041 CG2 VAL 63 8.673 -36.694 -3.909 1.00 73.40 ATOM 1042 HG21 VAL 63 8.530 -37.529 -4.581 1.00 24.11 ATOM 1043 HG22 VAL 63 7.773 -36.097 -3.883 1.00 55.25 ATOM 1044 HG23 VAL 63 8.887 -37.065 -2.916 1.00 52.01 ATOM 1045 C VAL 63 10.371 -35.048 -2.049 1.00 23.44 ATOM 1046 O VAL 63 11.476 -35.506 -1.765 1.00 2.45 ATOM 1047 N LEU 64 9.399 -34.926 -1.146 1.00 71.10 ATOM 1048 HN LEU 64 8.519 -34.598 -1.429 1.00 37.63 ATOM 1049 CA LEU 64 9.616 -35.275 0.262 1.00 63.34 ATOM 1050 HA LEU 64 10.525 -34.786 0.583 1.00 51.15 ATOM 1051 CB LEU 64 8.452 -34.767 1.125 1.00 44.15 ATOM 1052 HB1 LEU 64 7.543 -35.234 0.773 1.00 37.63 ATOM 1053 HB2 LEU 64 8.365 -33.699 0.977 1.00 30.14 ATOM 1054 CG LEU 64 8.577 -35.037 2.637 1.00 52.23 ATOM 1055 HG LEU 64 8.665 -36.104 2.798 1.00 53.11 ATOM 1056 CD1 LEU 64 9.834 -34.379 3.206 1.00 1.44 ATOM 1057 HD11 LEU 64 9.791 -33.312 3.040 1.00 51.43 ATOM 1058 HD12 LEU 64 10.707 -34.785 2.716 1.00 45.13 ATOM 1059 HD13 LEU 64 9.897 -34.574 4.268 1.00 61.22 ATOM 1060 CD2 LEU 64 7.327 -34.553 3.373 1.00 23.05 ATOM 1061 HD21 LEU 64 7.439 -34.730 4.434 1.00 10.54 ATOM 1062 HD22 LEU 64 6.465 -35.092 3.011 1.00 0.25 ATOM 1063 HD23 LEU 64 7.190 -33.495 3.198 1.00 44.25 ATOM 1064 C LEU 64 9.784 -36.792 0.444 1.00 61.33 ATOM 1065 O LEU 64 8.848 -37.568 0.224 1.00 21.14 ATOM 1066 N ASP 65 10.985 -37.204 0.840 1.00 53.50 ATOM 1067 HN ASP 65 11.699 -36.538 0.964 1.00 37.63 ATOM 1068 CA ASP 65 11.297 -38.617 1.065 1.00 13.50 ATOM 1069 HA ASP 65 11.083 -39.155 0.152 1.00 22.21 ATOM 1070 CB ASP 65 12.786 -38.768 1.393 1.00 61.24 ATOM 1071 HB1 ASP 65 13.047 -39.818 1.377 1.00 37.63 ATOM 1072 HB2 ASP 65 12.975 -38.371 2.381 1.00 20.30 ATOM 1073 CG ASP 65 13.668 -38.032 0.400 1.00 21.54 ATOM 1074 OD1 ASP 65 14.266 -38.689 -0.478 1.00 3.22 ATOM 1075 OD2 ASP 65 13.747 -36.789 0.488 1.00 61.03 ATOM 1076 C ASP 65 10.442 -39.209 2.202 1.00 55.15 ATOM 1077 O ASP 65 10.846 -39.198 3.366 1.00 20.00 ATOM 1078 N LEU 66 9.255 -39.710 1.857 1.00 72.45 ATOM 1079 HN LEU 66 8.976 -39.653 0.918 1.00 37.63 ATOM 1080 CA LEU 66 8.339 -40.311 2.841 1.00 1.10 ATOM 1081 HA LEU 66 8.006 -39.521 3.500 1.00 51.20 ATOM 1082 CB LEU 66 7.114 -40.909 2.132 1.00 73.04 ATOM 1083 HB1 LEU 66 6.519 -41.432 2.867 1.00 37.63 ATOM 1084 HB2 LEU 66 7.465 -41.628 1.404 1.00 63.12 ATOM 1085 CG LEU 66 6.207 -39.895 1.412 1.00 14.23 ATOM 1086 HG LEU 66 6.783 -39.382 0.655 1.00 0.20 ATOM 1087 CD1 LEU 66 5.049 -40.606 0.713 1.00 71.11 ATOM 1088 HD11 LEU 66 4.451 -41.131 1.444 1.00 32.40 ATOM 1089 HD12 LEU 66 5.441 -41.312 -0.004 1.00 32.41 ATOM 1090 HD13 LEU 66 4.435 -39.879 0.200 1.00 20.13 ATOM 1091 CD2 LEU 66 5.684 -38.846 2.396 1.00 72.20 ATOM 1092 HD21 LEU 66 5.135 -39.333 3.189 1.00 20.24 ATOM 1093 HD22 LEU 66 5.032 -38.158 1.877 1.00 0.33 ATOM 1094 HD23 LEU 66 6.516 -38.301 2.817 1.00 0.23 ATOM 1095 C LEU 66 9.030 -41.391 3.689 1.00 32.52 ATOM 1096 O LEU 66 8.855 -41.443 4.908 1.00 45.04 ATOM 1097 N PHE 67 9.820 -42.246 3.038 1.00 35.15 ATOM 1098 HN PHE 67 9.907 -42.164 2.067 1.00 37.63 ATOM 1099 CA PHE 67 10.556 -43.306 3.738 1.00 43.51 ATOM 1100 HA PHE 67 9.832 -43.949 4.221 1.00 1.03 ATOM 1101 CB PHE 67 11.368 -44.138 2.729 1.00 54.31 ATOM 1102 HB1 PHE 67 12.094 -43.498 2.247 1.00 37.63 ATOM 1103 HB2 PHE 67 10.697 -44.533 1.979 1.00 13.51 ATOM 1104 CG PHE 67 12.110 -45.303 3.347 1.00 51.55 ATOM 1105 CD1 PHE 67 11.561 -46.577 3.339 1.00 71.42 ATOM 1106 HD1 PHE 67 10.595 -46.736 2.880 1.00 43.33 ATOM 1107 CD2 PHE 67 13.353 -45.122 3.942 1.00 63.54 ATOM 1108 HD2 PHE 67 13.796 -44.136 3.956 1.00 13.51 ATOM 1109 CE1 PHE 67 12.234 -47.641 3.907 1.00 14.15 ATOM 1110 HE1 PHE 67 11.795 -48.628 3.894 1.00 42.43 ATOM 1111 CE2 PHE 67 14.027 -46.183 4.511 1.00 54.31 ATOM 1112 HE2 PHE 67 14.992 -46.027 4.971 1.00 52.34 ATOM 1113 CZ PHE 67 13.466 -47.444 4.495 1.00 72.20 ATOM 1114 HZ PHE 67 13.992 -48.275 4.940 1.00 34.02 ATOM 1115 C PHE 67 11.495 -42.721 4.808 1.00 71.20 ATOM 1116 O PHE 67 11.479 -43.143 5.966 1.00 60.13 ATOM 1117 N MET 68 12.300 -41.734 4.413 1.00 53.24 ATOM 1118 HN MET 68 12.232 -41.404 3.493 1.00 37.63 ATOM 1119 CA MET 68 13.276 -41.125 5.320 1.00 64.41 ATOM 1120 HA MET 68 13.847 -41.924 5.774 1.00 43.23 ATOM 1121 CB MET 68 14.234 -40.213 4.542 1.00 44.22 ATOM 1122 HB1 MET 68 14.979 -39.827 5.224 1.00 37.63 ATOM 1123 HB2 MET 68 13.671 -39.385 4.134 1.00 33.20 ATOM 1124 CG MET 68 14.952 -40.911 3.395 1.00 15.53 ATOM 1125 HG1 MET 68 15.644 -40.215 2.943 1.00 37.63 ATOM 1126 HG2 MET 68 14.217 -41.211 2.662 1.00 23.43 ATOM 1127 SD MET 68 15.867 -42.376 3.926 1.00 23.20 ATOM 1128 CE MET 68 17.038 -41.659 5.080 1.00 55.53 ATOM 1129 HE1 MET 68 17.648 -40.929 4.569 1.00 54.22 ATOM 1130 HE2 MET 68 17.670 -42.437 5.483 1.00 52.31 ATOM 1131 HE3 MET 68 16.502 -41.178 5.886 1.00 23.34 ATOM 1132 C MET 68 12.576 -40.329 6.430 1.00 73.03 ATOM 1133 O MET 68 12.961 -40.403 7.594 1.00 4.02 ATOM 1134 N LEU 69 11.543 -39.575 6.056 1.00 42.40 ATOM 1135 HN LEU 69 11.304 -39.536 5.108 1.00 37.63 ATOM 1136 CA LEU 69 10.754 -38.799 7.017 1.00 60.13 ATOM 1137 HA LEU 69 11.400 -38.041 7.440 1.00 21.13 ATOM 1138 CB LEU 69 9.574 -38.115 6.308 1.00 3.10 ATOM 1139 HB1 LEU 69 8.900 -38.883 5.956 1.00 37.63 ATOM 1140 HB2 LEU 69 9.959 -37.581 5.450 1.00 23.51 ATOM 1141 CG LEU 69 8.771 -37.129 7.173 1.00 14.02 ATOM 1142 HG LEU 69 8.452 -37.632 8.074 1.00 11.34 ATOM 1143 CD1 LEU 69 9.642 -35.947 7.586 1.00 22.41 ATOM 1144 HD11 LEU 69 9.072 -35.279 8.215 1.00 2.54 ATOM 1145 HD12 LEU 69 9.973 -35.416 6.705 1.00 74.43 ATOM 1146 HD13 LEU 69 10.503 -36.307 8.131 1.00 12.23 ATOM 1147 CD2 LEU 69 7.522 -36.654 6.435 1.00 10.01 ATOM 1148 HD21 LEU 69 6.900 -37.504 6.196 1.00 23.11 ATOM 1149 HD22 LEU 69 7.811 -36.152 5.524 1.00 41.15 ATOM 1150 HD23 LEU 69 6.969 -35.970 7.063 1.00 60.13 ATOM 1151 C LEU 69 10.235 -39.697 8.149 1.00 35.50 ATOM 1152 O LEU 69 10.347 -39.359 9.329 1.00 22.40 ATOM 1153 N TYR 70 9.680 -40.850 7.775 1.00 51.11 ATOM 1154 HN TYR 70 9.592 -41.043 6.816 1.00 37.63 ATOM 1155 CA TYR 70 9.193 -41.835 8.746 1.00 2.35 ATOM 1156 HA TYR 70 8.383 -41.378 9.296 1.00 22.41 ATOM 1157 CB TYR 70 8.659 -43.073 8.012 1.00 43.14 ATOM 1158 HB1 TYR 70 9.462 -43.515 7.437 1.00 37.63 ATOM 1159 HB2 TYR 70 7.872 -42.769 7.337 1.00 34.24 ATOM 1160 CG TYR 70 8.095 -44.144 8.930 1.00 62.22 ATOM 1161 CD1 TYR 70 6.803 -44.040 9.440 1.00 54.24 ATOM 1162 HD1 TYR 70 6.200 -43.183 9.178 1.00 11.44 ATOM 1163 CD2 TYR 70 8.852 -45.258 9.284 1.00 31.33 ATOM 1164 HD2 TYR 70 9.856 -45.354 8.900 1.00 1.12 ATOM 1165 CE1 TYR 70 6.286 -45.014 10.275 1.00 70.52 ATOM 1166 HE1 TYR 70 5.281 -44.916 10.661 1.00 73.25 ATOM 1167 CE2 TYR 70 8.340 -46.233 10.117 1.00 71.25 ATOM 1168 HE2 TYR 70 8.943 -47.091 10.379 1.00 14.42 ATOM 1169 CZ TYR 70 7.059 -46.108 10.609 1.00 3.41 ATOM 1170 OH TYR 70 6.549 -47.078 11.440 1.00 52.20 ATOM 1171 HH TYR 70 7.187 -47.270 12.137 1.00 20.02 ATOM 1172 C TYR 70 10.301 -42.238 9.735 1.00 51.10 ATOM 1173 O TYR 70 10.108 -42.195 10.950 1.00 33.34 ATOM 1174 N VAL 71 11.464 -42.617 9.205 1.00 22.10 ATOM 1175 HN VAL 71 11.561 -42.624 8.227 1.00 37.63 ATOM 1176 CA VAL 71 12.603 -43.027 10.038 1.00 43.11 ATOM 1177 HA VAL 71 12.293 -43.884 10.625 1.00 45.35 ATOM 1178 CB VAL 71 13.813 -43.451 9.164 1.00 51.40 ATOM 1179 HB VAL 71 14.121 -42.594 8.580 1.00 24.32 ATOM 1180 CG1 VAL 71 14.997 -43.879 10.035 1.00 65.34 ATOM 1181 HG11 VAL 71 15.813 -44.204 9.404 1.00 5.31 ATOM 1182 HG12 VAL 71 14.699 -44.692 10.681 1.00 53.14 ATOM 1183 HG13 VAL 71 15.322 -43.042 10.637 1.00 21.55 ATOM 1184 CG2 VAL 71 13.418 -44.567 8.195 1.00 22.34 ATOM 1185 HG21 VAL 71 12.597 -44.235 7.575 1.00 61.03 ATOM 1186 HG22 VAL 71 13.116 -45.442 8.752 1.00 3.31 ATOM 1187 HG23 VAL 71 14.262 -44.816 7.565 1.00 3.12 ATOM 1188 C VAL 71 13.045 -41.905 10.999 1.00 60.14 ATOM 1189 O VAL 71 13.076 -42.093 12.216 1.00 3.12 ATOM 1190 N LEU 72 13.360 -40.736 10.440 1.00 2.45 ATOM 1191 HN LEU 72 13.252 -40.631 9.471 1.00 37.63 ATOM 1192 CA LEU 72 13.864 -39.599 11.225 1.00 63.31 ATOM 1193 HA LEU 72 14.796 -39.912 11.675 1.00 63.43 ATOM 1194 CB LEU 72 14.152 -38.393 10.307 1.00 4.32 ATOM 1195 HB1 LEU 72 14.083 -37.490 10.898 1.00 37.63 ATOM 1196 HB2 LEU 72 13.385 -38.358 9.545 1.00 41.33 ATOM 1197 CG LEU 72 15.526 -38.398 9.604 1.00 61.53 ATOM 1198 HG LEU 72 15.624 -37.491 9.022 1.00 61.31 ATOM 1199 CD1 LEU 72 16.651 -38.409 10.633 1.00 72.42 ATOM 1200 HD11 LEU 72 16.583 -37.525 11.250 1.00 25.12 ATOM 1201 HD12 LEU 72 17.605 -38.419 10.126 1.00 11.23 ATOM 1202 HD13 LEU 72 16.565 -39.290 11.255 1.00 22.23 ATOM 1203 CD2 LEU 72 15.662 -39.583 8.651 1.00 10.11 ATOM 1204 HD21 LEU 72 15.610 -40.508 9.210 1.00 11.03 ATOM 1205 HD22 LEU 72 16.610 -39.527 8.137 1.00 14.33 ATOM 1206 HD23 LEU 72 14.861 -39.556 7.927 1.00 22.34 ATOM 1207 C LEU 72 12.906 -39.185 12.357 1.00 15.13 ATOM 1208 O LEU 72 13.353 -38.755 13.423 1.00 30.43 ATOM 1209 N VAL 73 11.600 -39.304 12.127 1.00 4.24 ATOM 1210 HN VAL 73 11.296 -39.637 11.254 1.00 37.63 ATOM 1211 CA VAL 73 10.603 -38.941 13.144 1.00 15.02 ATOM 1212 HA VAL 73 10.959 -38.053 13.652 1.00 54.21 ATOM 1213 CB VAL 73 9.237 -38.603 12.493 1.00 44.51 ATOM 1214 HB VAL 73 8.927 -39.452 11.901 1.00 41.42 ATOM 1215 CG1 VAL 73 8.164 -38.350 13.554 1.00 52.32 ATOM 1216 HG11 VAL 73 8.041 -39.235 14.163 1.00 41.42 ATOM 1217 HG12 VAL 73 7.226 -38.116 13.071 1.00 71.33 ATOM 1218 HG13 VAL 73 8.460 -37.522 14.181 1.00 54.44 ATOM 1219 CG2 VAL 73 9.368 -37.397 11.561 1.00 4.54 ATOM 1220 HG21 VAL 73 8.410 -37.186 11.107 1.00 41.12 ATOM 1221 HG22 VAL 73 10.091 -37.616 10.787 1.00 24.42 ATOM 1222 HG23 VAL 73 9.697 -36.536 12.126 1.00 65.00 ATOM 1223 C VAL 73 10.409 -40.056 14.190 1.00 31.44 ATOM 1224 O VAL 73 10.557 -39.823 15.395 1.00 43.45 ATOM 1225 N THR 74 10.090 -41.266 13.729 1.00 41.21 ATOM 1226 HN THR 74 10.022 -41.404 12.759 1.00 37.63 ATOM 1227 CA THR 74 9.825 -42.399 14.636 1.00 50.42 ATOM 1228 HA THR 74 8.974 -42.128 15.249 1.00 12.21 ATOM 1229 CB THR 74 9.462 -43.694 13.868 1.00 50.31 ATOM 1230 HB THR 74 9.320 -44.491 14.587 1.00 13.43 ATOM 1231 OG1 THR 74 10.528 -44.062 12.974 1.00 74.13 ATOM 1232 HG1 THR 74 10.411 -43.605 12.134 1.00 2.00 ATOM 1233 CG2 THR 74 8.166 -43.521 13.083 1.00 15.50 ATOM 1234 HG21 THR 74 7.924 -44.446 12.579 1.00 54.02 ATOM 1235 HG22 THR 74 8.288 -42.735 12.351 1.00 73.12 ATOM 1236 HG23 THR 74 7.364 -43.259 13.759 1.00 0.04 ATOM 1237 C THR 74 11.011 -42.697 15.563 1.00 5.12 ATOM 1238 O THR 74 10.821 -42.971 16.749 1.00 45.14 ATOM 1239 N GLU 75 12.234 -42.623 15.031 1.00 34.20 ATOM 1240 HN GLU 75 12.329 -42.397 14.079 1.00 37.63 ATOM 1241 CA GLU 75 13.440 -42.896 15.828 1.00 1.53 ATOM 1242 HA GLU 75 13.373 -43.915 16.185 1.00 74.42 ATOM 1243 CB GLU 75 14.709 -42.755 14.971 1.00 44.44 ATOM 1244 HB1 GLU 75 14.566 -43.296 14.045 1.00 37.63 ATOM 1245 HB2 GLU 75 15.542 -43.193 15.505 1.00 25.45 ATOM 1246 CG GLU 75 15.066 -41.313 14.625 1.00 0.32 ATOM 1247 HG1 GLU 75 15.000 -40.713 15.522 1.00 37.63 ATOM 1248 HG2 GLU 75 14.355 -40.945 13.898 1.00 74.25 ATOM 1249 CD GLU 75 16.467 -41.176 14.054 1.00 45.21 ATOM 1250 OE1 GLU 75 17.436 -41.465 14.786 1.00 11.51 ATOM 1251 OE2 GLU 75 16.606 -40.746 12.897 1.00 41.22 ATOM 1252 C GLU 75 13.545 -41.957 17.043 1.00 63.50 ATOM 1253 O GLU 75 14.172 -42.293 18.048 1.00 73.05 ATOM 1254 N LYS 76 12.942 -40.772 16.940 1.00 20.20 ATOM 1255 HN LYS 76 12.468 -40.551 16.110 1.00 37.63 ATOM 1256 CA LYS 76 12.966 -39.798 18.035 1.00 44.55 ATOM 1257 HA LYS 76 13.966 -39.787 18.448 1.00 22.04 ATOM 1258 CB LYS 76 12.624 -38.393 17.515 1.00 3.43 ATOM 1259 HB1 LYS 76 12.701 -37.691 18.335 1.00 37.63 ATOM 1260 HB2 LYS 76 11.604 -38.395 17.157 1.00 35.34 ATOM 1261 CG LYS 76 13.522 -37.900 16.381 1.00 43.12 ATOM 1262 HG1 LYS 76 13.208 -36.904 16.098 1.00 37.63 ATOM 1263 HG2 LYS 76 13.410 -38.564 15.536 1.00 4.20 ATOM 1264 CD LYS 76 14.995 -37.861 16.785 1.00 73.14 ATOM 1265 HD1 LYS 76 15.332 -38.871 16.975 1.00 37.63 ATOM 1266 HD2 LYS 76 15.095 -37.274 17.688 1.00 64.21 ATOM 1267 CE LYS 76 15.872 -37.244 15.696 1.00 2.14 ATOM 1268 HE1 LYS 76 16.889 -37.198 16.057 1.00 37.63 ATOM 1269 HE2 LYS 76 15.521 -36.242 15.492 1.00 64.21 ATOM 1270 NZ LYS 76 15.846 -38.029 14.429 1.00 74.41 ATOM 1271 HZ1 LYS 76 16.356 -37.514 13.681 1.00 61.54 ATOM 1272 HZ2 LYS 76 14.867 -38.188 14.119 1.00 2.53 ATOM 1273 HZ3 LYS 76 16.307 -38.949 14.569 1.00 5.12 ATOM 1274 C LYS 76 11.978 -40.189 19.144 1.00 12.23 ATOM 1275 O LYS 76 12.139 -39.794 20.300 1.00 42.45 ATOM 1276 N GLY 77 10.967 -40.982 18.786 1.00 55.31 ATOM 1277 HN GLY 77 10.936 -41.331 17.871 1.00 37.63 ATOM 1278 CA GLY 77 9.928 -41.367 19.740 1.00 34.43 ATOM 1279 HA1 GLY 77 10.018 -40.752 20.625 1.00 37.63 ATOM 1280 HA2 GLY 77 10.080 -42.398 20.020 1.00 53.13 ATOM 1281 C GLY 77 8.512 -41.219 19.182 1.00 34.30 ATOM 1282 O GLY 77 7.534 -41.481 19.883 1.00 54.23 ATOM 1283 N GLY 78 8.398 -40.788 17.927 1.00 44.32 ATOM 1284 HN GLY 78 9.207 -40.563 17.424 1.00 37.63 ATOM 1285 CA GLY 78 7.087 -40.636 17.293 1.00 65.42 ATOM 1286 HA1 GLY 78 6.329 -41.055 17.941 1.00 37.63 ATOM 1287 HA2 GLY 78 7.091 -41.188 16.365 1.00 55.10 ATOM 1288 C GLY 78 6.724 -39.181 16.994 1.00 61.32 ATOM 1289 O GLY 78 7.413 -38.258 17.437 1.00 31.32 ATOM 1290 N LEU 79 5.633 -38.978 16.249 1.00 43.54 ATOM 1291 HN LEU 79 5.116 -39.760 15.940 1.00 37.63 ATOM 1292 CA LEU 79 5.189 -37.630 15.851 1.00 13.22 ATOM 1293 HA LEU 79 5.937 -37.228 15.182 1.00 22.45 ATOM 1294 CB LEU 79 3.850 -37.709 15.096 1.00 54.03 ATOM 1295 HB1 LEU 79 3.127 -38.187 15.742 1.00 37.63 ATOM 1296 HB2 LEU 79 3.991 -38.333 14.223 1.00 44.44 ATOM 1297 CG LEU 79 3.268 -36.356 14.638 1.00 42.14 ATOM 1298 HG LEU 79 3.129 -35.723 15.504 1.00 15.33 ATOM 1299 CD1 LEU 79 4.230 -35.640 13.693 1.00 14.04 ATOM 1300 HD11 LEU 79 3.803 -34.694 13.392 1.00 44.03 ATOM 1301 HD12 LEU 79 4.400 -36.252 12.818 1.00 63.41 ATOM 1302 HD13 LEU 79 5.169 -35.466 14.197 1.00 32.54 ATOM 1303 CD2 LEU 79 1.905 -36.545 13.973 1.00 43.32 ATOM 1304 HD21 LEU 79 1.494 -35.580 13.713 1.00 41.45 ATOM 1305 HD22 LEU 79 1.236 -37.046 14.658 1.00 42.54 ATOM 1306 HD23 LEU 79 2.017 -37.141 13.078 1.00 51.11 ATOM 1307 C LEU 79 5.052 -36.679 17.055 1.00 3.21 ATOM 1308 O LEU 79 5.660 -35.606 17.082 1.00 15.42 ATOM 1309 N VAL 80 4.251 -37.078 18.045 1.00 40.25 ATOM 1310 HN VAL 80 3.808 -37.951 17.975 1.00 37.63 ATOM 1311 CA VAL 80 4.013 -36.245 19.234 1.00 75.21 ATOM 1312 HA VAL 80 3.548 -35.325 18.900 1.00 41.11 ATOM 1313 CB VAL 80 3.048 -36.937 20.227 1.00 41.23 ATOM 1314 HB VAL 80 3.490 -37.876 20.532 1.00 52.12 ATOM 1315 CG1 VAL 80 2.841 -36.079 21.475 1.00 31.45 ATOM 1316 HG11 VAL 80 2.430 -35.121 21.192 1.00 53.01 ATOM 1317 HG12 VAL 80 3.789 -35.929 21.974 1.00 54.11 ATOM 1318 HG13 VAL 80 2.158 -36.577 22.149 1.00 30.41 ATOM 1319 CG2 VAL 80 1.712 -37.236 19.552 1.00 11.11 ATOM 1320 HG21 VAL 80 1.257 -36.313 19.224 1.00 11.32 ATOM 1321 HG22 VAL 80 1.055 -37.731 20.254 1.00 20.03 ATOM 1322 HG23 VAL 80 1.875 -37.880 18.700 1.00 24.14 ATOM 1323 C VAL 80 5.323 -35.893 19.959 1.00 4.50 ATOM 1324 O VAL 80 5.506 -34.761 20.403 1.00 50.11 ATOM 1325 N GLU 81 6.231 -36.864 20.068 1.00 63.10 ATOM 1326 HN GLU 81 6.015 -37.757 19.729 1.00 37.63 ATOM 1327 CA GLU 81 7.546 -36.626 20.681 1.00 4.11 ATOM 1328 HA GLU 81 7.385 -36.341 21.712 1.00 44.40 ATOM 1329 CB GLU 81 8.397 -37.906 20.638 1.00 72.33 ATOM 1330 HB1 GLU 81 8.560 -38.180 19.605 1.00 37.63 ATOM 1331 HB2 GLU 81 7.851 -38.702 21.126 1.00 51.43 ATOM 1332 CG GLU 81 9.760 -37.775 21.318 1.00 72.15 ATOM 1333 HG1 GLU 81 10.233 -36.866 20.969 1.00 37.63 ATOM 1334 HG2 GLU 81 10.371 -38.620 21.037 1.00 44.31 ATOM 1335 CD GLU 81 9.670 -37.726 22.836 1.00 60.13 ATOM 1336 OE1 GLU 81 9.772 -36.629 23.416 1.00 12.34 ATOM 1337 OE2 GLU 81 9.503 -38.795 23.459 1.00 22.44 ATOM 1338 C GLU 81 8.285 -35.489 19.955 1.00 33.23 ATOM 1339 O GLU 81 8.750 -34.531 20.576 1.00 12.20 ATOM 1340 N VAL 82 8.370 -35.598 18.631 1.00 71.33 ATOM 1341 HN VAL 82 7.983 -36.390 18.194 1.00 37.63 ATOM 1342 CA VAL 82 9.017 -34.575 17.803 1.00 31.23 ATOM 1343 HA VAL 82 10.045 -34.490 18.129 1.00 34.53 ATOM 1344 CB VAL 82 9.013 -34.991 16.308 1.00 50.54 ATOM 1345 HB VAL 82 7.985 -35.125 15.998 1.00 23.13 ATOM 1346 CG1 VAL 82 9.635 -33.910 15.426 1.00 4.14 ATOM 1347 HG11 VAL 82 9.603 -34.223 14.392 1.00 20.24 ATOM 1348 HG12 VAL 82 10.662 -33.749 15.719 1.00 41.30 ATOM 1349 HG13 VAL 82 9.081 -32.989 15.539 1.00 2.12 ATOM 1350 CG2 VAL 82 9.740 -36.323 16.120 1.00 65.30 ATOM 1351 HG21 VAL 82 9.222 -37.098 16.666 1.00 10.24 ATOM 1352 HG22 VAL 82 10.752 -36.239 16.491 1.00 72.02 ATOM 1353 HG23 VAL 82 9.764 -36.576 15.070 1.00 74.54 ATOM 1354 C VAL 82 8.334 -33.205 17.967 1.00 14.31 ATOM 1355 O VAL 82 8.996 -32.163 17.984 1.00 33.22 ATOM 1356 N ILE 83 7.010 -33.220 18.100 1.00 42.34 ATOM 1357 HN ILE 83 6.539 -34.079 18.036 1.00 37.63 ATOM 1358 CA ILE 83 6.231 -31.999 18.332 1.00 32.01 ATOM 1359 HA ILE 83 6.485 -31.290 17.554 1.00 13.01 ATOM 1360 CB ILE 83 4.710 -32.293 18.243 1.00 74.11 ATOM 1361 HB ILE 83 4.479 -33.075 18.953 1.00 5.30 ATOM 1362 CG1 ILE 83 4.339 -32.779 16.831 1.00 51.43 ATOM 1363 HG11 ILE 83 4.936 -33.645 16.584 1.00 37.63 ATOM 1364 HG12 ILE 83 4.547 -31.993 16.117 1.00 22.03 ATOM 1365 CG2 ILE 83 3.891 -31.061 18.619 1.00 51.33 ATOM 1366 HG21 ILE 83 4.114 -30.254 17.936 1.00 11.43 ATOM 1367 HG22 ILE 83 4.136 -30.758 19.627 1.00 31.04 ATOM 1368 HG23 ILE 83 2.838 -31.297 18.563 1.00 35.55 ATOM 1369 CD1 ILE 83 2.880 -33.163 16.682 1.00 52.54 ATOM 1370 HD11 ILE 83 2.258 -32.304 16.889 1.00 5.21 ATOM 1371 HD12 ILE 83 2.643 -33.955 17.378 1.00 61.21 ATOM 1372 HD13 ILE 83 2.699 -33.503 15.674 1.00 3.20 ATOM 1373 C ILE 83 6.561 -31.369 19.701 1.00 62.22 ATOM 1374 O ILE 83 6.794 -30.164 19.802 1.00 11.13 ATOM 1375 N ASN 84 6.590 -32.190 20.749 1.00 34.12 ATOM 1376 HN ASN 84 6.394 -33.141 20.613 1.00 37.63 ATOM 1377 CA ASN 84 6.904 -31.712 22.103 1.00 62.42 ATOM 1378 HA ASN 84 6.237 -30.890 22.322 1.00 1.53 ATOM 1379 CB ASN 84 6.667 -32.825 23.131 1.00 73.31 ATOM 1380 HB1 ASN 84 7.039 -32.504 24.095 1.00 37.63 ATOM 1381 HB2 ASN 84 7.204 -33.711 22.823 1.00 45.41 ATOM 1382 CG ASN 84 5.199 -33.185 23.282 1.00 33.41 ATOM 1383 OD1 ASN 84 4.320 -32.351 23.104 1.00 4.40 ATOM 1384 ND2 ASN 84 4.924 -34.426 23.626 1.00 40.12 ATOM 1385 HD21 ASN 84 5.672 -35.045 23.767 1.00 4.43 ATOM 1386 HD22 ASN 84 3.986 -34.675 23.724 1.00 54.35 ATOM 1387 C ASN 84 8.352 -31.208 22.216 1.00 14.20 ATOM 1388 O ASN 84 8.641 -30.301 22.998 1.00 21.40 ATOM 1389 N LYS 85 9.256 -31.804 21.439 1.00 70.10 ATOM 1390 HN LYS 85 8.965 -32.524 20.837 1.00 37.63 ATOM 1391 CA LYS 85 10.680 -31.434 21.478 1.00 74.03 ATOM 1392 HA LYS 85 10.895 -31.056 22.468 1.00 4.23 ATOM 1393 CB LYS 85 11.548 -32.675 21.230 1.00 3.00 ATOM 1394 HB1 LYS 85 12.590 -32.388 21.271 1.00 37.63 ATOM 1395 HB2 LYS 85 11.328 -33.055 20.245 1.00 12.11 ATOM 1396 CG LYS 85 11.318 -33.800 22.234 1.00 30.55 ATOM 1397 HG1 LYS 85 10.297 -34.145 22.137 1.00 37.63 ATOM 1398 HG2 LYS 85 11.472 -33.418 23.231 1.00 1.33 ATOM 1399 CD LYS 85 12.259 -34.980 22.006 1.00 65.42 ATOM 1400 HD1 LYS 85 12.155 -35.320 20.983 1.00 37.63 ATOM 1401 HD2 LYS 85 11.985 -35.781 22.678 1.00 14.45 ATOM 1402 CE LYS 85 13.714 -34.607 22.256 1.00 73.14 ATOM 1403 HE1 LYS 85 13.800 -34.185 23.248 1.00 37.63 ATOM 1404 HE2 LYS 85 14.016 -33.871 21.525 1.00 0.20 ATOM 1405 NZ LYS 85 14.616 -35.785 22.153 1.00 11.14 ATOM 1406 HZ1 LYS 85 15.592 -35.507 22.379 1.00 52.43 ATOM 1407 HZ2 LYS 85 14.597 -36.175 21.190 1.00 40.53 ATOM 1408 HZ3 LYS 85 14.317 -36.527 22.819 1.00 64.34 ATOM 1409 C LYS 85 11.031 -30.336 20.450 1.00 61.44 ATOM 1410 O LYS 85 12.111 -29.748 20.513 1.00 51.51 ATOM 1411 N LYS 86 10.120 -30.085 19.498 1.00 51.35 ATOM 1412 HN LYS 86 9.299 -30.622 19.483 1.00 37.63 ATOM 1413 CA LYS 86 10.296 -29.034 18.468 1.00 64.02 ATOM 1414 HA LYS 86 9.408 -29.042 17.852 1.00 42.20 ATOM 1415 CB LYS 86 10.432 -27.633 19.109 1.00 20.33 ATOM 1416 HB1 LYS 86 10.770 -26.940 18.350 1.00 37.63 ATOM 1417 HB2 LYS 86 11.182 -27.681 19.885 1.00 2.15 ATOM 1418 CG LYS 86 9.152 -27.065 19.728 1.00 25.45 ATOM 1419 HG1 LYS 86 8.360 -27.105 18.990 1.00 37.63 ATOM 1420 HG2 LYS 86 9.329 -26.035 20.005 1.00 4.24 ATOM 1421 CD LYS 86 8.713 -27.838 20.968 1.00 51.13 ATOM 1422 HD1 LYS 86 9.558 -27.936 21.636 1.00 37.63 ATOM 1423 HD2 LYS 86 8.379 -28.820 20.667 1.00 41.51 ATOM 1424 CE LYS 86 7.579 -27.137 21.707 1.00 12.03 ATOM 1425 HE1 LYS 86 7.235 -27.779 22.506 1.00 37.63 ATOM 1426 HE2 LYS 86 6.767 -26.959 21.017 1.00 44.43 ATOM 1427 NZ LYS 86 8.013 -25.837 22.287 1.00 60.42 ATOM 1428 HZ1 LYS 86 8.816 -25.982 22.935 1.00 61.44 ATOM 1429 HZ2 LYS 86 7.232 -25.403 22.820 1.00 60.34 ATOM 1430 HZ3 LYS 86 8.306 -25.184 21.532 1.00 3.54 ATOM 1431 C LYS 86 11.514 -29.284 17.552 1.00 3.12 ATOM 1432 O LYS 86 11.857 -28.432 16.731 1.00 61.15 ATOM 1433 N LEU 87 12.138 -30.458 17.651 1.00 32.10 ATOM 1434 HN LEU 87 11.737 -31.164 18.196 1.00 37.63 ATOM 1435 CA LEU 87 13.419 -30.710 16.961 1.00 14.22 ATOM 1436 HA LEU 87 13.999 -29.800 17.039 1.00 14.24 ATOM 1437 CB LEU 87 14.207 -31.841 17.671 1.00 70.40 ATOM 1438 HB1 LEU 87 14.122 -31.684 18.738 1.00 37.63 ATOM 1439 HB2 LEU 87 15.248 -31.738 17.401 1.00 12.15 ATOM 1440 CG LEU 87 13.784 -33.295 17.370 1.00 3.44 ATOM 1441 HG LEU 87 13.967 -33.503 16.324 1.00 21.50 ATOM 1442 CD1 LEU 87 14.620 -34.278 18.187 1.00 34.13 ATOM 1443 HD11 LEU 87 14.323 -35.289 17.949 1.00 11.11 ATOM 1444 HD12 LEU 87 14.462 -34.097 19.241 1.00 20.33 ATOM 1445 HD13 LEU 87 15.666 -34.145 17.951 1.00 64.03 ATOM 1446 CD2 LEU 87 12.303 -33.510 17.635 1.00 20.32 ATOM 1447 HD21 LEU 87 12.096 -33.345 18.678 1.00 13.01 ATOM 1448 HD22 LEU 87 12.029 -34.521 17.368 1.00 41.33 ATOM 1449 HD23 LEU 87 11.727 -32.814 17.041 1.00 21.11 ATOM 1450 C LEU 87 13.239 -31.019 15.455 1.00 43.53 ATOM 1451 O LEU 87 14.038 -31.743 14.860 1.00 43.33 ATOM 1452 N TRP 88 12.219 -30.425 14.827 1.00 33.13 ATOM 1453 HN TRP 88 11.602 -29.868 15.343 1.00 37.63 ATOM 1454 CA TRP 88 12.003 -30.584 13.378 1.00 23.35 ATOM 1455 HA TRP 88 11.861 -31.640 13.188 1.00 3.42 ATOM 1456 CB TRP 88 10.741 -29.831 12.924 1.00 61.53 ATOM 1457 HB1 TRP 88 10.759 -29.727 11.847 1.00 37.63 ATOM 1458 HB2 TRP 88 10.736 -28.848 13.371 1.00 32.14 ATOM 1459 CG TRP 88 9.456 -30.518 13.301 1.00 54.32 ATOM 1460 CD1 TRP 88 8.643 -30.225 14.358 1.00 3.23 ATOM 1461 HD1 TRP 88 8.829 -29.435 15.070 1.00 74.40 ATOM 1462 CD2 TRP 88 8.845 -31.621 12.619 1.00 31.22 ATOM 1463 NE1 TRP 88 7.560 -31.071 14.368 1.00 11.35 ATOM 1464 HE1 TRP 88 6.833 -31.060 15.026 1.00 12.10 ATOM 1465 CE2 TRP 88 7.665 -31.941 13.316 1.00 51.14 ATOM 1466 CE3 TRP 88 9.180 -32.368 11.485 1.00 10.24 ATOM 1467 HE3 TRP 88 10.074 -32.151 10.917 1.00 35.12 ATOM 1468 CZ2 TRP 88 6.823 -32.976 12.919 1.00 40.31 ATOM 1469 HZ2 TRP 88 5.919 -33.216 13.461 1.00 53.33 ATOM 1470 CZ3 TRP 88 8.345 -33.396 11.093 1.00 31.32 ATOM 1471 HZ3 TRP 88 8.592 -33.987 10.223 1.00 23.24 ATOM 1472 CH2 TRP 88 7.178 -33.693 11.810 1.00 51.43 ATOM 1473 HH2 TRP 88 6.555 -34.507 11.470 1.00 35.31 ATOM 1474 C TRP 88 13.222 -30.109 12.567 1.00 74.05 ATOM 1475 O TRP 88 13.438 -30.558 11.441 1.00 53.12 ATOM 1476 N ARG 89 14.016 -29.206 13.149 1.00 24.14 ATOM 1477 HN ARG 89 13.751 -28.831 14.015 1.00 37.63 ATOM 1478 CA ARG 89 15.269 -28.751 12.526 1.00 51.31 ATOM 1479 HA ARG 89 15.024 -28.312 11.569 1.00 54.12 ATOM 1480 CB ARG 89 15.948 -27.688 13.404 1.00 13.14 ATOM 1481 HB1 ARG 89 15.241 -26.894 13.598 1.00 37.63 ATOM 1482 HB2 ARG 89 16.794 -27.279 12.867 1.00 42.24 ATOM 1483 CG ARG 89 16.446 -28.224 14.746 1.00 22.12 ATOM 1484 HG1 ARG 89 17.113 -29.057 14.564 1.00 37.63 ATOM 1485 HG2 ARG 89 15.599 -28.566 15.323 1.00 64.45 ATOM 1486 CD ARG 89 17.191 -27.166 15.553 1.00 22.41 ATOM 1487 HD1 ARG 89 16.491 -26.398 15.850 1.00 37.63 ATOM 1488 HD2 ARG 89 17.962 -26.732 14.932 1.00 61.20 ATOM 1489 NE ARG 89 17.812 -27.738 16.747 1.00 34.10 ATOM 1490 HE ARG 89 18.085 -28.679 16.705 1.00 61.35 ATOM 1491 CZ ARG 89 18.025 -27.084 17.857 1.00 75.43 ATOM 1492 NH1 ARG 89 17.710 -25.829 17.958 1.00 23.53 ATOM 1493 HH11 ARG 89 17.301 -25.352 17.181 1.00 21.12 ATOM 1494 HH12 ARG 89 17.871 -25.343 18.810 1.00 50.12 ATOM 1495 NH2 ARG 89 18.572 -27.687 18.863 1.00 0.21 ATOM 1496 HH21 ARG 89 18.831 -28.648 18.786 1.00 35.51 ATOM 1497 HH22 ARG 89 18.727 -27.197 19.716 1.00 44.13 ATOM 1498 C ARG 89 16.233 -29.931 12.299 1.00 62.22 ATOM 1499 O ARG 89 17.020 -29.937 11.352 1.00 23.14 ATOM 1500 N GLU 90 16.166 -30.922 13.192 1.00 71.10 ATOM 1501 HN GLU 90 15.558 -30.831 13.955 1.00 37.63 ATOM 1502 CA GLU 90 16.969 -32.143 13.069 1.00 63.44 ATOM 1503 HA GLU 90 17.986 -31.857 12.832 1.00 43.25 ATOM 1504 CB GLU 90 16.960 -32.923 14.396 1.00 14.14 ATOM 1505 HB1 GLU 90 17.628 -33.769 14.306 1.00 37.63 ATOM 1506 HB2 GLU 90 15.958 -33.289 14.575 1.00 4.12 ATOM 1507 CG GLU 90 17.388 -32.104 15.611 1.00 41.23 ATOM 1508 HG1 GLU 90 17.342 -32.737 16.487 1.00 37.63 ATOM 1509 HG2 GLU 90 16.699 -31.280 15.733 1.00 5.11 ATOM 1510 CD GLU 90 18.798 -31.548 15.490 1.00 23.02 ATOM 1511 OE1 GLU 90 18.966 -30.310 15.545 1.00 73.32 ATOM 1512 OE2 GLU 90 19.746 -32.347 15.345 1.00 12.25 ATOM 1513 C GLU 90 16.423 -33.037 11.949 1.00 32.41 ATOM 1514 O GLU 90 17.173 -33.741 11.269 1.00 23.42 ATOM 1515 N ILE 91 15.102 -33.004 11.770 1.00 63.23 ATOM 1516 HN ILE 91 14.562 -32.421 12.346 1.00 37.63 ATOM 1517 CA ILE 91 14.432 -33.806 10.743 1.00 14.52 ATOM 1518 HA ILE 91 14.771 -34.829 10.847 1.00 54.12 ATOM 1519 CB ILE 91 12.890 -33.784 10.928 1.00 51.12 ATOM 1520 HB ILE 91 12.544 -32.775 10.741 1.00 50.25 ATOM 1521 CG1 ILE 91 12.508 -34.182 12.367 1.00 31.42 ATOM 1522 HG11 ILE 91 11.431 -34.174 12.461 1.00 37.63 ATOM 1523 HG12 ILE 91 12.926 -33.461 13.055 1.00 43.25 ATOM 1524 CG2 ILE 91 12.208 -34.707 9.917 1.00 72.23 ATOM 1525 HG21 ILE 91 12.536 -35.725 10.078 1.00 63.22 ATOM 1526 HG22 ILE 91 12.468 -34.401 8.914 1.00 42.42 ATOM 1527 HG23 ILE 91 11.136 -34.651 10.043 1.00 1.00 ATOM 1528 CD1 ILE 91 13.001 -35.554 12.783 1.00 72.41 ATOM 1529 HD11 ILE 91 12.700 -35.750 13.801 1.00 22.12 ATOM 1530 HD12 ILE 91 14.079 -35.588 12.715 1.00 2.34 ATOM 1531 HD13 ILE 91 12.576 -36.304 12.132 1.00 72.13 ATOM 1532 C ILE 91 14.786 -33.305 9.334 1.00 43.34 ATOM 1533 O ILE 91 15.255 -34.074 8.493 1.00 31.31 ATOM 1534 N THR 92 14.575 -32.010 9.088 1.00 54.22 ATOM 1535 HN THR 92 14.171 -31.451 9.787 1.00 37.63 ATOM 1536 CA THR 92 14.942 -31.392 7.803 1.00 75.54 ATOM 1537 HA THR 92 14.339 -31.848 7.028 1.00 72.50 ATOM 1538 CB THR 92 14.677 -29.866 7.793 1.00 52.03 ATOM 1539 HB THR 92 15.144 -29.443 6.912 1.00 32.03 ATOM 1540 OG1 THR 92 15.258 -29.257 8.956 1.00 72.40 ATOM 1541 HG1 THR 92 15.459 -28.336 8.770 1.00 41.11 ATOM 1542 CG2 THR 92 13.185 -29.561 7.738 1.00 75.34 ATOM 1543 HG21 THR 92 12.768 -29.967 6.827 1.00 13.03 ATOM 1544 HG22 THR 92 13.034 -28.491 7.754 1.00 73.54 ATOM 1545 HG23 THR 92 12.692 -30.007 8.589 1.00 50.23 ATOM 1546 C THR 92 16.420 -31.621 7.481 1.00 41.13 ATOM 1547 O THR 92 16.770 -32.035 6.376 1.00 33.03 ATOM 1548 N LYS 93 17.281 -31.352 8.459 1.00 32.02 ATOM 1549 HN LYS 93 16.938 -30.999 9.310 1.00 37.63 ATOM 1550 CA LYS 93 18.724 -31.551 8.297 1.00 71.34 ATOM 1551 HA LYS 93 19.050 -30.922 7.481 1.00 72.51 ATOM 1552 CB LYS 93 19.466 -31.133 9.577 1.00 74.23 ATOM 1553 HB1 LYS 93 19.299 -31.880 10.339 1.00 37.63 ATOM 1554 HB2 LYS 93 19.064 -30.189 9.920 1.00 3.12 ATOM 1555 CG LYS 93 20.972 -30.970 9.387 1.00 72.03 ATOM 1556 HG1 LYS 93 21.386 -31.905 9.035 1.00 37.63 ATOM 1557 HG2 LYS 93 21.420 -30.710 10.336 1.00 24.42 ATOM 1558 CD LYS 93 21.283 -29.872 8.371 1.00 64.44 ATOM 1559 HD1 LYS 93 20.843 -28.946 8.716 1.00 37.63 ATOM 1560 HD2 LYS 93 20.849 -30.143 7.419 1.00 50.10 ATOM 1561 CE LYS 93 22.780 -29.668 8.186 1.00 3.13 ATOM 1562 HE1 LYS 93 22.935 -28.864 7.481 1.00 37.63 ATOM 1563 HE2 LYS 93 23.214 -30.577 7.796 1.00 34.23 ATOM 1564 NZ LYS 93 23.453 -29.323 9.464 1.00 2.21 ATOM 1565 HZ1 LYS 93 24.457 -29.108 9.296 1.00 43.31 ATOM 1566 HZ2 LYS 93 23.392 -30.117 10.131 1.00 0.04 ATOM 1567 HZ3 LYS 93 23.001 -28.490 9.895 1.00 12.42 ATOM 1568 C LYS 93 19.048 -33.014 7.951 1.00 1.54 ATOM 1569 O LYS 93 19.886 -33.289 7.089 1.00 2.22 ATOM 1570 N GLY 94 18.367 -33.948 8.619 1.00 2.32 ATOM 1571 HN GLY 94 17.741 -33.671 9.323 1.00 37.63 ATOM 1572 CA GLY 94 18.541 -35.366 8.322 1.00 3.31 ATOM 1573 HA1 GLY 94 17.943 -35.942 9.014 1.00 37.63 ATOM 1574 HA2 GLY 94 19.581 -35.626 8.462 1.00 2.31 ATOM 1575 C GLY 94 18.128 -35.729 6.897 1.00 11.55 ATOM 1576 O GLY 94 18.680 -36.654 6.297 1.00 33.30 ATOM 1577 N LEU 95 17.162 -34.987 6.351 1.00 52.05 ATOM 1578 HN LEU 95 16.748 -34.276 6.888 1.00 37.63 ATOM 1579 CA LEU 95 16.696 -35.197 4.976 1.00 43.32 ATOM 1580 HA LEU 95 16.811 -36.245 4.738 1.00 52.02 ATOM 1581 CB LEU 95 15.210 -34.820 4.862 1.00 74.12 ATOM 1582 HB1 LEU 95 14.868 -35.077 3.868 1.00 37.63 ATOM 1583 HB2 LEU 95 15.124 -33.749 4.985 1.00 0.13 ATOM 1584 CG LEU 95 14.274 -35.493 5.880 1.00 14.05 ATOM 1585 HG LEU 95 14.550 -35.168 6.873 1.00 12.13 ATOM 1586 CD1 LEU 95 12.826 -35.075 5.643 1.00 41.42 ATOM 1587 HD11 LEU 95 12.187 -35.558 6.369 1.00 44.02 ATOM 1588 HD12 LEU 95 12.522 -35.367 4.647 1.00 53.24 ATOM 1589 HD13 LEU 95 12.738 -34.003 5.745 1.00 42.50 ATOM 1590 CD2 LEU 95 14.417 -37.010 5.830 1.00 34.33 ATOM 1591 HD21 LEU 95 13.745 -37.459 6.547 1.00 42.01 ATOM 1592 HD22 LEU 95 15.434 -37.285 6.072 1.00 50.42 ATOM 1593 HD23 LEU 95 14.174 -37.365 4.839 1.00 71.10 ATOM 1594 C LEU 95 17.525 -34.368 3.976 1.00 34.35 ATOM 1595 O LEU 95 17.207 -34.315 2.789 1.00 13.12 ATOM 1596 N ASN 96 18.586 -33.718 4.476 1.00 74.11 ATOM 1597 HN ASN 96 18.777 -33.799 5.434 1.00 37.63 ATOM 1598 CA ASN 96 19.480 -32.889 3.648 1.00 3.21 ATOM 1599 HA ASN 96 20.285 -32.552 4.286 1.00 23.04 ATOM 1600 CB ASN 96 20.075 -33.738 2.509 1.00 14.13 ATOM 1601 HB1 ASN 96 19.312 -33.910 1.762 1.00 37.63 ATOM 1602 HB2 ASN 96 20.394 -34.689 2.910 1.00 11.32 ATOM 1603 CG ASN 96 21.269 -33.081 1.838 1.00 40.25 ATOM 1604 OD1 ASN 96 21.135 -32.373 0.848 1.00 44.02 ATOM 1605 ND2 ASN 96 22.451 -33.314 2.370 1.00 44.43 ATOM 1606 HD21 ASN 96 22.498 -33.895 3.158 1.00 45.44 ATOM 1607 HD22 ASN 96 23.232 -32.888 1.961 1.00 20.23 ATOM 1608 C ASN 96 18.744 -31.646 3.102 1.00 12.15 ATOM 1609 O ASN 96 19.150 -31.042 2.106 1.00 44.45 ATOM 1610 N LEU 97 17.673 -31.250 3.787 1.00 74.54 ATOM 1611 HN LEU 97 17.408 -31.756 4.582 1.00 37.63 ATOM 1612 CA LEU 97 16.878 -30.081 3.391 1.00 63.42 ATOM 1613 HA LEU 97 16.909 -30.009 2.312 1.00 74.34 ATOM 1614 CB LEU 97 15.416 -30.254 3.837 1.00 24.42 ATOM 1615 HB1 LEU 97 14.849 -29.411 3.464 1.00 37.63 ATOM 1616 HB2 LEU 97 15.387 -30.232 4.919 1.00 41.33 ATOM 1617 CG LEU 97 14.728 -31.543 3.361 1.00 63.11 ATOM 1618 HG LEU 97 15.210 -32.387 3.834 1.00 15.53 ATOM 1619 CD1 LEU 97 13.258 -31.562 3.776 1.00 61.35 ATOM 1620 HD11 LEU 97 12.792 -32.467 3.414 1.00 3.14 ATOM 1621 HD12 LEU 97 12.751 -30.704 3.359 1.00 33.15 ATOM 1622 HD13 LEU 97 13.188 -31.531 4.855 1.00 53.12 ATOM 1623 CD2 LEU 97 14.869 -31.712 1.849 1.00 55.33 ATOM 1624 HD21 LEU 97 15.916 -31.791 1.593 1.00 42.32 ATOM 1625 HD22 LEU 97 14.439 -30.859 1.344 1.00 3.14 ATOM 1626 HD23 LEU 97 14.356 -32.610 1.538 1.00 43.12 ATOM 1627 C LEU 97 17.453 -28.784 3.990 1.00 64.54 ATOM 1628 O LEU 97 18.086 -28.805 5.047 1.00 72.14 ATOM 1629 N PRO 98 17.230 -27.634 3.321 1.00 22.13 ATOM 1630 CA PRO 98 17.714 -26.332 3.809 1.00 61.54 ATOM 1631 HA PRO 98 18.774 -26.364 4.023 1.00 24.13 ATOM 1632 CB PRO 98 17.458 -25.392 2.622 1.00 10.34 ATOM 1633 HB1 PRO 98 18.352 -25.317 2.018 1.00 37.63 ATOM 1634 HB2 PRO 98 17.184 -24.410 2.984 1.00 3.33 ATOM 1635 CG PRO 98 16.342 -26.026 1.861 1.00 20.33 ATOM 1636 HG1 PRO 98 16.417 -25.768 0.815 1.00 37.63 ATOM 1637 HG2 PRO 98 15.392 -25.696 2.259 1.00 42.55 ATOM 1638 CD PRO 98 16.496 -27.514 2.045 1.00 61.21 ATOM 1639 HD1 PRO 98 17.066 -27.940 1.231 1.00 37.63 ATOM 1640 HD2 PRO 98 15.526 -27.989 2.115 1.00 33.02 ATOM 1641 C PRO 98 16.959 -25.854 5.064 1.00 41.44 ATOM 1642 O PRO 98 15.729 -25.779 5.079 1.00 55.04 ATOM 1643 N THR 99 17.701 -25.495 6.110 1.00 54.25 ATOM 1644 HN THR 99 18.680 -25.476 6.014 1.00 37.63 ATOM 1645 CA THR 99 17.100 -25.132 7.406 1.00 53.23 ATOM 1646 HA THR 99 16.329 -25.862 7.622 1.00 23.52 ATOM 1647 CB THR 99 18.151 -25.205 8.549 1.00 0.32 ATOM 1648 HB THR 99 18.594 -26.192 8.542 1.00 2.24 ATOM 1649 OG1 THR 99 17.530 -24.993 9.829 1.00 13.32 ATOM 1650 HG1 THR 99 16.627 -24.674 9.702 1.00 51.31 ATOM 1651 CG2 THR 99 19.262 -24.177 8.349 1.00 42.24 ATOM 1652 HG21 THR 99 19.762 -24.363 7.411 1.00 62.11 ATOM 1653 HG22 THR 99 19.976 -24.255 9.157 1.00 12.41 ATOM 1654 HG23 THR 99 18.839 -23.183 8.339 1.00 73.31 ATOM 1655 C THR 99 16.450 -23.730 7.394 1.00 14.52 ATOM 1656 O THR 99 16.061 -23.208 8.439 1.00 65.40 ATOM 1657 N SER 100 16.312 -23.130 6.209 1.00 73.10 ATOM 1658 HN SER 100 16.642 -23.584 5.407 1.00 37.63 ATOM 1659 CA SER 100 15.690 -21.796 6.077 1.00 1.11 ATOM 1660 HA SER 100 15.670 -21.342 7.057 1.00 4.31 ATOM 1661 CB SER 100 16.523 -20.905 5.140 1.00 63.15 ATOM 1662 HB1 SER 100 16.585 -21.367 4.165 1.00 37.63 ATOM 1663 HB2 SER 100 17.518 -20.794 5.545 1.00 11.32 ATOM 1664 OG SER 100 15.945 -19.612 4.996 1.00 32.51 ATOM 1665 HG SER 100 15.137 -19.679 4.472 1.00 74.30 ATOM 1666 C SER 100 14.245 -21.879 5.553 1.00 65.33 ATOM 1667 O SER 100 13.638 -20.856 5.224 1.00 3.21 ATOM 1668 N ILE 101 13.690 -23.088 5.474 1.00 42.11 ATOM 1669 HN ILE 101 14.215 -23.876 5.730 1.00 37.63 ATOM 1670 CA ILE 101 12.308 -23.263 5.005 1.00 61.32 ATOM 1671 HA ILE 101 12.186 -22.662 4.113 1.00 0.34 ATOM 1672 CB ILE 101 12.007 -24.740 4.633 1.00 51.41 ATOM 1673 HB ILE 101 12.115 -25.342 5.526 1.00 14.02 ATOM 1674 CG1 ILE 101 12.997 -25.241 3.568 1.00 62.43 ATOM 1675 HG11 ILE 101 14.006 -25.094 3.926 1.00 37.63 ATOM 1676 HG12 ILE 101 12.860 -24.673 2.659 1.00 70.33 ATOM 1677 CG2 ILE 101 10.566 -24.884 4.135 1.00 64.34 ATOM 1678 HG21 ILE 101 10.426 -24.274 3.254 1.00 1.54 ATOM 1679 HG22 ILE 101 9.881 -24.562 4.907 1.00 63.23 ATOM 1680 HG23 ILE 101 10.370 -25.918 3.892 1.00 14.55 ATOM 1681 CD1 ILE 101 12.837 -26.709 3.223 1.00 14.31 ATOM 1682 HD11 ILE 101 13.537 -26.973 2.443 1.00 44.10 ATOM 1683 HD12 ILE 101 11.830 -26.893 2.879 1.00 71.34 ATOM 1684 HD13 ILE 101 13.034 -27.310 4.100 1.00 30.45 ATOM 1685 C ILE 101 11.292 -22.786 6.061 1.00 1.42 ATOM 1686 O ILE 101 11.193 -23.355 7.152 1.00 24.11 ATOM 1687 N THR 102 10.546 -21.732 5.727 1.00 12.45 ATOM 1688 HN THR 102 10.688 -21.309 4.856 1.00 37.63 ATOM 1689 CA THR 102 9.525 -21.179 6.627 1.00 11.14 ATOM 1690 HA THR 102 10.002 -20.954 7.572 1.00 15.15 ATOM 1691 CB THR 102 8.917 -19.868 6.064 1.00 62.30 ATOM 1692 HB THR 102 8.404 -20.093 5.138 1.00 21.43 ATOM 1693 OG1 THR 102 9.954 -18.908 5.798 1.00 70.22 ATOM 1694 HG1 THR 102 9.551 -18.054 5.582 1.00 64.42 ATOM 1695 CG2 THR 102 7.914 -19.263 7.042 1.00 1.11 ATOM 1696 HG21 THR 102 7.501 -18.357 6.621 1.00 4.21 ATOM 1697 HG22 THR 102 8.411 -19.032 7.973 1.00 14.31 ATOM 1698 HG23 THR 102 7.116 -19.969 7.226 1.00 24.34 ATOM 1699 C THR 102 8.386 -22.181 6.870 1.00 42.34 ATOM 1700 O THR 102 7.976 -22.898 5.957 1.00 51.44 ATOM 1701 N SER 103 7.896 -22.235 8.113 1.00 32.25 ATOM 1702 HN SER 103 8.315 -21.674 8.803 1.00 37.63 ATOM 1703 CA SER 103 6.763 -23.103 8.502 1.00 13.04 ATOM 1704 HA SER 103 6.692 -23.056 9.579 1.00 62.34 ATOM 1705 CB SER 103 5.432 -22.588 7.910 1.00 4.54 ATOM 1706 HB1 SER 103 5.289 -21.557 8.205 1.00 37.63 ATOM 1707 HB2 SER 103 4.618 -23.182 8.297 1.00 51.42 ATOM 1708 OG SER 103 5.401 -22.659 6.488 1.00 32.34 ATOM 1709 HG SER 103 6.188 -23.113 6.165 1.00 34.04 ATOM 1710 C SER 103 6.983 -24.575 8.111 1.00 44.15 ATOM 1711 O SER 103 6.026 -25.338 7.965 1.00 62.24 ATOM 1712 N ALA 104 8.245 -24.977 7.965 1.00 14.31 ATOM 1713 HN ALA 104 8.968 -24.323 8.079 1.00 37.63 ATOM 1714 CA ALA 104 8.585 -26.365 7.636 1.00 72.01 ATOM 1715 HA ALA 104 8.068 -26.626 6.720 1.00 21.24 ATOM 1716 CB ALA 104 10.082 -26.502 7.389 1.00 21.24 ATOM 1717 HB1 ALA 104 10.314 -27.526 7.132 1.00 30.23 ATOM 1718 HB2 ALA 104 10.621 -26.225 8.284 1.00 44.24 ATOM 1719 HB3 ALA 104 10.377 -25.853 6.578 1.00 73.30 ATOM 1720 C ALA 104 8.145 -27.329 8.747 1.00 12.13 ATOM 1721 O ALA 104 7.564 -28.380 8.477 1.00 63.22 ATOM 1722 N ALA 105 8.423 -26.951 9.995 1.00 3.43 ATOM 1723 HN ALA 105 8.903 -26.107 10.137 1.00 37.63 ATOM 1724 CA ALA 105 8.049 -27.758 11.164 1.00 44.15 ATOM 1725 HA ALA 105 8.597 -28.690 11.113 1.00 71.15 ATOM 1726 CB ALA 105 8.462 -27.040 12.443 1.00 34.42 ATOM 1727 HB1 ALA 105 7.898 -26.123 12.541 1.00 65.43 ATOM 1728 HB2 ALA 105 9.517 -26.809 12.401 1.00 3.42 ATOM 1729 HB3 ALA 105 8.266 -27.675 13.295 1.00 53.42 ATOM 1730 C ALA 105 6.543 -28.072 11.193 1.00 41.11 ATOM 1731 O ALA 105 6.130 -29.155 11.610 1.00 50.32 ATOM 1732 N PHE 106 5.731 -27.103 10.778 1.00 34.14 ATOM 1733 HN PHE 106 6.113 -26.226 10.559 1.00 37.63 ATOM 1734 CA PHE 106 4.281 -27.293 10.665 1.00 24.23 ATOM 1735 HA PHE 106 3.949 -27.830 11.544 1.00 33.50 ATOM 1736 CB PHE 106 3.577 -25.928 10.626 1.00 42.11 ATOM 1737 HB1 PHE 106 3.967 -25.354 9.797 1.00 37.63 ATOM 1738 HB2 PHE 106 3.784 -25.401 11.547 1.00 54.35 ATOM 1739 CG PHE 106 2.076 -26.020 10.470 1.00 15.51 ATOM 1740 CD1 PHE 106 1.467 -25.730 9.255 1.00 34.34 ATOM 1741 HD1 PHE 106 2.077 -25.433 8.414 1.00 72.23 ATOM 1742 CD2 PHE 106 1.275 -26.400 11.540 1.00 34.31 ATOM 1743 HD2 PHE 106 1.734 -26.630 12.492 1.00 23.32 ATOM 1744 CE1 PHE 106 0.095 -25.819 9.111 1.00 13.41 ATOM 1745 HE1 PHE 106 -0.365 -25.592 8.160 1.00 30.34 ATOM 1746 CE2 PHE 106 -0.098 -26.489 11.399 1.00 2.25 ATOM 1747 HE2 PHE 106 -0.710 -26.786 12.240 1.00 20.12 ATOM 1748 CZ PHE 106 -0.688 -26.198 10.184 1.00 12.42 ATOM 1749 HZ PHE 106 -1.761 -26.268 10.073 1.00 13.25 ATOM 1750 C PHE 106 3.911 -28.117 9.416 1.00 73.41 ATOM 1751 O PHE 106 3.176 -29.101 9.503 1.00 42.53 ATOM 1752 N THR 107 4.430 -27.706 8.258 1.00 4.24 ATOM 1753 HN THR 107 5.053 -26.950 8.264 1.00 37.63 ATOM 1754 CA THR 107 4.100 -28.348 6.973 1.00 1.41 ATOM 1755 HA THR 107 3.034 -28.238 6.818 1.00 11.23 ATOM 1756 CB THR 107 4.829 -27.655 5.794 1.00 21.21 ATOM 1757 HB THR 107 5.897 -27.757 5.940 1.00 44.20 ATOM 1758 OG1 THR 107 4.496 -26.257 5.768 1.00 22.20 ATOM 1759 HG1 THR 107 5.171 -25.758 6.245 1.00 13.11 ATOM 1760 CG2 THR 107 4.456 -28.289 4.455 1.00 5.53 ATOM 1761 HG21 THR 107 4.759 -29.326 4.448 1.00 5.32 ATOM 1762 HG22 THR 107 4.957 -27.763 3.655 1.00 23.54 ATOM 1763 HG23 THR 107 3.387 -28.226 4.311 1.00 1.23 ATOM 1764 C THR 107 4.443 -29.846 6.969 1.00 1.31 ATOM 1765 O THR 107 3.594 -30.685 6.655 1.00 64.21 ATOM 1766 N LEU 108 5.685 -30.179 7.328 1.00 31.11 ATOM 1767 HN LEU 108 6.324 -29.467 7.544 1.00 37.63 ATOM 1768 CA LEU 108 6.121 -31.582 7.419 1.00 23.15 ATOM 1769 HA LEU 108 6.033 -32.025 6.437 1.00 24.13 ATOM 1770 CB LEU 108 7.584 -31.653 7.876 1.00 61.14 ATOM 1771 HB1 LEU 108 7.854 -32.695 7.984 1.00 37.63 ATOM 1772 HB2 LEU 108 7.655 -31.181 8.848 1.00 23.34 ATOM 1773 CG LEU 108 8.605 -30.985 6.941 1.00 2.03 ATOM 1774 HG LEU 108 8.314 -29.957 6.780 1.00 30.11 ATOM 1775 CD1 LEU 108 9.993 -30.981 7.576 1.00 23.32 ATOM 1776 HD11 LEU 108 10.702 -30.542 6.889 1.00 31.32 ATOM 1777 HD12 LEU 108 10.293 -31.995 7.803 1.00 20.03 ATOM 1778 HD13 LEU 108 9.970 -30.400 8.487 1.00 22.52 ATOM 1779 CD2 LEU 108 8.632 -31.685 5.584 1.00 52.30 ATOM 1780 HD21 LEU 108 9.342 -31.191 4.938 1.00 61.43 ATOM 1781 HD22 LEU 108 7.650 -31.643 5.137 1.00 21.22 ATOM 1782 HD23 LEU 108 8.924 -32.719 5.714 1.00 61.23 ATOM 1783 C LEU 108 5.244 -32.363 8.405 1.00 43.24 ATOM 1784 O LEU 108 4.903 -33.524 8.178 1.00 60.23 ATOM 1785 N ARG 109 4.884 -31.695 9.495 1.00 73.25 ATOM 1786 HN ARG 109 5.200 -30.773 9.602 1.00 37.63 ATOM 1787 CA ARG 109 4.042 -32.272 10.542 1.00 54.43 ATOM 1788 HA ARG 109 4.534 -33.158 10.918 1.00 72.14 ATOM 1789 CB ARG 109 3.910 -31.254 11.678 1.00 60.25 ATOM 1790 HB1 ARG 109 3.360 -30.399 11.316 1.00 37.63 ATOM 1791 HB2 ARG 109 4.903 -30.929 11.960 1.00 41.30 ATOM 1792 CG ARG 109 3.221 -31.767 12.931 1.00 44.12 ATOM 1793 HG1 ARG 109 3.778 -32.607 13.323 1.00 37.63 ATOM 1794 HG2 ARG 109 2.217 -32.078 12.681 1.00 21.11 ATOM 1795 CD ARG 109 3.160 -30.672 13.988 1.00 70.34 ATOM 1796 HD1 ARG 109 2.899 -31.118 14.938 1.00 37.63 ATOM 1797 HD2 ARG 109 2.400 -29.957 13.706 1.00 52.31 ATOM 1798 NE ARG 109 4.445 -29.978 14.123 1.00 3.53 ATOM 1799 HE ARG 109 5.103 -30.098 13.408 1.00 71.30 ATOM 1800 CZ ARG 109 4.757 -29.195 15.115 1.00 74.24 ATOM 1801 NH1 ARG 109 3.932 -29.007 16.091 1.00 34.35 ATOM 1802 HH11 ARG 109 3.049 -29.459 16.089 1.00 2.02 ATOM 1803 HH12 ARG 109 4.193 -28.414 16.851 1.00 24.42 ATOM 1804 NH2 ARG 109 5.905 -28.600 15.130 1.00 52.40 ATOM 1805 HH21 ARG 109 6.549 -28.745 14.386 1.00 2.11 ATOM 1806 HH22 ARG 109 6.138 -27.982 15.885 1.00 70.11 ATOM 1807 C ARG 109 2.658 -32.657 10.000 1.00 65.01 ATOM 1808 O ARG 109 2.152 -33.742 10.281 1.00 31.11 ATOM 1809 N THR 110 2.059 -31.760 9.218 1.00 65.33 ATOM 1810 HN THR 110 2.501 -30.899 9.060 1.00 37.63 ATOM 1811 CA THR 110 0.753 -32.015 8.596 1.00 12.13 ATOM 1812 HA THR 110 0.064 -32.297 9.383 1.00 13.15 ATOM 1813 CB THR 110 0.197 -30.745 7.904 1.00 34.33 ATOM 1814 HB THR 110 0.930 -30.393 7.191 1.00 1.13 ATOM 1815 OG1 THR 110 -0.029 -29.717 8.879 1.00 72.40 ATOM 1816 HG1 THR 110 -0.914 -29.818 9.252 1.00 43.23 ATOM 1817 CG2 THR 110 -1.106 -31.034 7.163 1.00 72.03 ATOM 1818 HG21 THR 110 -1.475 -30.123 6.713 1.00 0.10 ATOM 1819 HG22 THR 110 -1.840 -31.413 7.859 1.00 23.04 ATOM 1820 HG23 THR 110 -0.928 -31.768 6.391 1.00 12.23 ATOM 1821 C THR 110 0.829 -33.162 7.577 1.00 31.53 ATOM 1822 O THR 110 -0.029 -34.045 7.560 1.00 24.52 ATOM 1823 N GLN 111 1.863 -33.155 6.736 1.00 3.21 ATOM 1824 HN GLN 111 2.519 -32.425 6.789 1.00 37.63 ATOM 1825 CA GLN 111 2.052 -34.224 5.745 1.00 61.35 ATOM 1826 HA GLN 111 1.163 -34.264 5.131 1.00 51.24 ATOM 1827 CB GLN 111 3.264 -33.924 4.849 1.00 23.40 ATOM 1828 HB1 GLN 111 3.334 -34.694 4.091 1.00 37.63 ATOM 1829 HB2 GLN 111 4.159 -33.948 5.455 1.00 3.12 ATOM 1830 CG GLN 111 3.200 -32.569 4.150 1.00 43.12 ATOM 1831 HG1 GLN 111 4.049 -32.482 3.486 1.00 37.63 ATOM 1832 HG2 GLN 111 3.251 -31.789 4.897 1.00 61.52 ATOM 1833 CD GLN 111 1.928 -32.377 3.339 1.00 0.12 ATOM 1834 OE1 GLN 111 1.866 -32.705 2.160 1.00 62.53 ATOM 1835 NE2 GLN 111 0.900 -31.836 3.963 1.00 53.21 ATOM 1836 HE21 GLN 111 1.007 -31.588 4.901 1.00 2.00 ATOM 1837 HE22 GLN 111 0.073 -31.703 3.456 1.00 75.40 ATOM 1838 C GLN 111 2.229 -35.582 6.444 1.00 31.20 ATOM 1839 O GLN 111 1.589 -36.573 6.083 1.00 43.43 ATOM 1840 N TYR 112 3.090 -35.610 7.458 1.00 20.21 ATOM 1841 HN TYR 112 3.609 -34.801 7.662 1.00 37.63 ATOM 1842 CA TYR 112 3.296 -36.809 8.277 1.00 14.14 ATOM 1843 HA TYR 112 3.635 -37.605 7.629 1.00 52.42 ATOM 1844 CB TYR 112 4.372 -36.528 9.340 1.00 4.45 ATOM 1845 HB1 TYR 112 3.970 -35.841 10.073 1.00 37.63 ATOM 1846 HB2 TYR 112 5.224 -36.067 8.862 1.00 61.34 ATOM 1847 CG TYR 112 4.870 -37.757 10.079 1.00 4.21 ATOM 1848 CD1 TYR 112 4.239 -38.213 11.232 1.00 32.33 ATOM 1849 HD1 TYR 112 3.369 -37.687 11.599 1.00 62.11 ATOM 1850 CD2 TYR 112 5.986 -38.453 9.629 1.00 23.33 ATOM 1851 HD2 TYR 112 6.489 -38.117 8.734 1.00 5.31 ATOM 1852 CE1 TYR 112 4.708 -39.322 11.912 1.00 52.32 ATOM 1853 HE1 TYR 112 4.202 -39.660 12.806 1.00 34.54 ATOM 1854 CE2 TYR 112 6.455 -39.564 10.300 1.00 44.31 ATOM 1855 HE2 TYR 112 7.323 -40.089 9.931 1.00 12.45 ATOM 1856 CZ TYR 112 5.817 -39.993 11.440 1.00 10.20 ATOM 1857 OH TYR 112 6.292 -41.094 12.111 1.00 42.14 ATOM 1858 HH TYR 112 5.607 -41.431 12.706 1.00 51.10 ATOM 1859 C TYR 112 1.977 -37.234 8.951 1.00 23.44 ATOM 1860 O TYR 112 1.624 -38.414 8.963 1.00 23.44 ATOM 1861 N MET 113 1.249 -36.249 9.478 1.00 10.01 ATOM 1862 HN MET 113 1.586 -35.330 9.408 1.00 37.63 ATOM 1863 CA MET 113 -0.030 -36.476 10.165 1.00 14.40 ATOM 1864 HA MET 113 0.156 -37.145 10.990 1.00 61.13 ATOM 1865 CB MET 113 -0.556 -35.143 10.722 1.00 23.34 ATOM 1866 HB1 MET 113 -0.727 -34.465 9.897 1.00 37.63 ATOM 1867 HB2 MET 113 0.198 -34.718 11.369 1.00 25.41 ATOM 1868 CG MET 113 -1.849 -35.260 11.517 1.00 32.14 ATOM 1869 HG1 MET 113 -1.690 -35.938 12.343 1.00 37.63 ATOM 1870 HG2 MET 113 -2.620 -35.655 10.872 1.00 61.40 ATOM 1871 SD MET 113 -2.403 -33.671 12.173 1.00 31.30 ATOM 1872 CE MET 113 -1.052 -33.262 13.280 1.00 1.23 ATOM 1873 HE1 MET 113 -0.125 -33.240 12.724 1.00 31.14 ATOM 1874 HE2 MET 113 -0.987 -34.005 14.061 1.00 62.10 ATOM 1875 HE3 MET 113 -1.229 -32.292 13.721 1.00 61.23 ATOM 1876 C MET 113 -1.083 -37.115 9.238 1.00 61.20 ATOM 1877 O MET 113 -1.975 -37.833 9.694 1.00 54.23 ATOM 1878 N LYS 114 -0.977 -36.850 7.940 1.00 53.52 ATOM 1879 HN LYS 114 -0.250 -36.267 7.632 1.00 37.63 ATOM 1880 CA LYS 114 -1.928 -37.390 6.959 1.00 43.31 ATOM 1881 HA LYS 114 -2.893 -37.478 7.443 1.00 70.02 ATOM 1882 CB LYS 114 -2.060 -36.422 5.772 1.00 50.35 ATOM 1883 HB1 LYS 114 -2.705 -36.870 5.028 1.00 37.63 ATOM 1884 HB2 LYS 114 -1.081 -36.271 5.338 1.00 61.34 ATOM 1885 CG LYS 114 -2.636 -35.056 6.141 1.00 4.23 ATOM 1886 HG1 LYS 114 -2.066 -34.646 6.963 1.00 37.63 ATOM 1887 HG2 LYS 114 -3.665 -35.180 6.446 1.00 23.15 ATOM 1888 CD LYS 114 -2.584 -34.076 4.968 1.00 32.42 ATOM 1889 HD1 LYS 114 -1.552 -33.931 4.678 1.00 37.63 ATOM 1890 HD2 LYS 114 -3.003 -33.131 5.284 1.00 34.22 ATOM 1891 CE LYS 114 -3.370 -34.581 3.762 1.00 3.23 ATOM 1892 HE1 LYS 114 -4.376 -34.818 4.074 1.00 37.63 ATOM 1893 HE2 LYS 114 -2.892 -35.473 3.384 1.00 13.21 ATOM 1894 NZ LYS 114 -3.427 -33.569 2.671 1.00 21.21 ATOM 1895 HZ1 LYS 114 -4.002 -33.926 1.882 1.00 32.21 ATOM 1896 HZ2 LYS 114 -2.472 -33.362 2.322 1.00 13.21 ATOM 1897 HZ3 LYS 114 -3.853 -32.688 3.024 1.00 32.42 ATOM 1898 C LYS 114 -1.504 -38.777 6.442 1.00 55.22 ATOM 1899 O LYS 114 -2.287 -39.729 6.471 1.00 4.42 ATOM 1900 N TYR 115 -0.258 -38.884 5.981 1.00 32.04 ATOM 1901 HN TYR 115 0.359 -38.132 6.105 1.00 37.63 ATOM 1902 CA TYR 115 0.218 -40.089 5.282 1.00 42.13 ATOM 1903 HA TYR 115 -0.637 -40.549 4.805 1.00 13.50 ATOM 1904 CB TYR 115 1.224 -39.684 4.186 1.00 34.04 ATOM 1905 HB1 TYR 115 1.585 -40.577 3.692 1.00 37.63 ATOM 1906 HB2 TYR 115 2.059 -39.174 4.645 1.00 60.23 ATOM 1907 CG TYR 115 0.645 -38.759 3.121 1.00 35.34 ATOM 1908 CD1 TYR 115 0.283 -39.242 1.865 1.00 62.15 ATOM 1909 HD1 TYR 115 0.422 -40.292 1.647 1.00 71.23 ATOM 1910 CD2 TYR 115 0.453 -37.403 3.373 1.00 71.32 ATOM 1911 HD2 TYR 115 0.728 -37.007 4.338 1.00 64.13 ATOM 1912 CE1 TYR 115 -0.251 -38.405 0.901 1.00 64.25 ATOM 1913 HE1 TYR 115 -0.524 -38.802 -0.067 1.00 15.14 ATOM 1914 CE2 TYR 115 -0.078 -36.562 2.415 1.00 63.41 ATOM 1915 HE2 TYR 115 -0.217 -35.513 2.636 1.00 33.34 ATOM 1916 CZ TYR 115 -0.429 -37.066 1.182 1.00 14.32 ATOM 1917 OH TYR 115 -0.966 -36.225 0.231 1.00 62.04 ATOM 1918 HH TYR 115 -1.739 -36.645 -0.166 1.00 62.12 ATOM 1919 C TYR 115 0.860 -41.125 6.231 1.00 31.13 ATOM 1920 O TYR 115 0.545 -42.314 6.172 1.00 43.12 ATOM 1921 N LEU 116 1.751 -40.672 7.114 1.00 3.33 ATOM 1922 HN LEU 116 1.847 -39.705 7.241 1.00 37.63 ATOM 1923 CA LEU 116 2.587 -41.589 7.914 1.00 74.04 ATOM 1924 HA LEU 116 2.588 -42.547 7.413 1.00 13.25 ATOM 1925 CB LEU 116 4.030 -41.063 7.952 1.00 4.51 ATOM 1926 HB1 LEU 116 4.613 -41.709 8.594 1.00 37.63 ATOM 1927 HB2 LEU 116 4.018 -40.071 8.385 1.00 72.33 ATOM 1928 CG LEU 116 4.731 -40.985 6.584 1.00 14.44 ATOM 1929 HG LEU 116 4.120 -40.400 5.909 1.00 71.10 ATOM 1930 CD1 LEU 116 6.088 -40.295 6.705 1.00 53.42 ATOM 1931 HD11 LEU 116 5.949 -39.292 7.084 1.00 40.33 ATOM 1932 HD12 LEU 116 6.557 -40.249 5.733 1.00 52.21 ATOM 1933 HD13 LEU 116 6.719 -40.851 7.384 1.00 1.21 ATOM 1934 CD2 LEU 116 4.895 -42.378 5.981 1.00 63.44 ATOM 1935 HD21 LEU 116 5.390 -42.300 5.024 1.00 55.22 ATOM 1936 HD22 LEU 116 3.923 -42.828 5.845 1.00 24.35 ATOM 1937 HD23 LEU 116 5.487 -42.994 6.644 1.00 34.20 ATOM 1938 C LEU 116 2.065 -41.801 9.349 1.00 11.42 ATOM 1939 O LEU 116 2.454 -42.761 10.014 1.00 55.35 ATOM 1940 N TYR 117 1.177 -40.923 9.817 1.00 22.43 ATOM 1941 HN TYR 117 0.852 -40.216 9.223 1.00 37.63 ATOM 1942 CA TYR 117 0.675 -40.986 11.204 1.00 73.13 ATOM 1943 HA TYR 117 1.536 -40.894 11.853 1.00 43.24 ATOM 1944 CB TYR 117 -0.267 -39.809 11.490 1.00 42.43 ATOM 1945 HB1 TYR 117 -1.084 -39.830 10.781 1.00 37.63 ATOM 1946 HB2 TYR 117 0.281 -38.888 11.363 1.00 41.32 ATOM 1947 CG TYR 117 -0.862 -39.803 12.889 1.00 14.13 ATOM 1948 CD1 TYR 117 -2.180 -40.195 13.113 1.00 23.13 ATOM 1949 HD1 TYR 117 -2.784 -40.513 12.275 1.00 35.43 ATOM 1950 CD2 TYR 117 -0.105 -39.399 13.986 1.00 31.34 ATOM 1951 HD2 TYR 117 0.919 -39.094 13.834 1.00 63.34 ATOM 1952 CE1 TYR 117 -2.722 -40.183 14.383 1.00 42.43 ATOM 1953 HE1 TYR 117 -3.748 -40.492 14.537 1.00 61.13 ATOM 1954 CE2 TYR 117 -0.642 -39.387 15.259 1.00 74.25 ATOM 1955 HE2 TYR 117 -0.038 -39.070 16.098 1.00 21.25 ATOM 1956 CZ TYR 117 -1.950 -39.778 15.451 1.00 44.31 ATOM 1957 OH TYR 117 -2.491 -39.762 16.717 1.00 11.34 ATOM 1958 HH TYR 117 -2.910 -40.607 16.896 1.00 41.33 ATOM 1959 C TYR 117 -0.021 -42.327 11.527 1.00 31.24 ATOM 1960 O TYR 117 0.305 -42.966 12.530 1.00 42.52 ATOM 1961 N PRO 118 -0.992 -42.790 10.700 1.00 24.25 ATOM 1962 CA PRO 118 -1.643 -44.090 10.936 1.00 45.43 ATOM 1963 HA PRO 118 -2.134 -44.116 11.900 1.00 73.33 ATOM 1964 CB PRO 118 -2.693 -44.177 9.815 1.00 4.14 ATOM 1965 HB1 PRO 118 -3.655 -43.860 10.193 1.00 37.63 ATOM 1966 HB2 PRO 118 -2.763 -45.193 9.453 1.00 43.43 ATOM 1967 CG PRO 118 -2.195 -43.251 8.755 1.00 32.43 ATOM 1968 HG1 PRO 118 -3.023 -42.883 8.166 1.00 37.63 ATOM 1969 HG2 PRO 118 -1.480 -43.761 8.122 1.00 73.30 ATOM 1970 CD PRO 118 -1.532 -42.121 9.492 1.00 14.12 ATOM 1971 HD1 PRO 118 -2.258 -41.366 9.760 1.00 37.63 ATOM 1972 HD2 PRO 118 -0.738 -41.693 8.895 1.00 34.44 ATOM 1973 C PRO 118 -0.646 -45.257 10.842 1.00 71.33 ATOM 1974 O PRO 118 -0.780 -46.271 11.533 1.00 4.52 ATOM 1975 N TYR 119 0.366 -45.090 9.991 1.00 54.14 ATOM 1976 HN TYR 119 0.435 -44.246 9.498 1.00 37.63 ATOM 1977 CA TYR 119 1.382 -46.121 9.775 1.00 42.13 ATOM 1978 HA TYR 119 0.870 -47.063 9.635 1.00 15.55 ATOM 1979 CB TYR 119 2.183 -45.797 8.508 1.00 14.14 ATOM 1980 HB1 TYR 119 2.872 -44.990 8.720 1.00 37.63 ATOM 1981 HB2 TYR 119 1.501 -45.480 7.732 1.00 13.24 ATOM 1982 CG TYR 119 2.983 -46.968 7.968 1.00 21.25 ATOM 1983 CD1 TYR 119 4.359 -47.044 8.145 1.00 31.11 ATOM 1984 HD1 TYR 119 4.865 -46.253 8.680 1.00 52.41 ATOM 1985 CD2 TYR 119 2.354 -47.999 7.275 1.00 15.04 ATOM 1986 HD2 TYR 119 1.284 -47.958 7.128 1.00 32.34 ATOM 1987 CE1 TYR 119 5.083 -48.108 7.647 1.00 11.42 ATOM 1988 HE1 TYR 119 6.152 -48.148 7.798 1.00 41.33 ATOM 1989 CE2 TYR 119 3.075 -49.065 6.776 1.00 3.45 ATOM 1990 HE2 TYR 119 2.569 -49.853 6.238 1.00 20.43 ATOM 1991 CZ TYR 119 4.437 -49.114 6.963 1.00 53.22 ATOM 1992 OH TYR 119 5.159 -50.177 6.471 1.00 42.44 ATOM 1993 HH TYR 119 4.827 -50.410 5.596 1.00 24.21 ATOM 1994 C TYR 119 2.315 -46.243 10.993 1.00 23.10 ATOM 1995 O TYR 119 2.731 -47.347 11.358 1.00 30.11 ATOM 1996 N GLU 120 2.632 -45.103 11.618 1.00 51.51 ATOM 1997 HN GLU 120 2.349 -44.251 11.227 1.00 37.63 ATOM 1998 CA GLU 120 3.400 -45.089 12.870 1.00 15.45 ATOM 1999 HA GLU 120 4.382 -45.491 12.663 1.00 34.32 ATOM 2000 CB GLU 120 3.543 -43.650 13.403 1.00 41.53 ATOM 2001 HB1 GLU 120 2.557 -43.235 13.556 1.00 37.63 ATOM 2002 HB2 GLU 120 4.061 -43.055 12.663 1.00 3.00 ATOM 2003 CG GLU 120 4.316 -43.552 14.721 1.00 53.13 ATOM 2004 HG1 GLU 120 5.325 -43.904 14.555 1.00 37.63 ATOM 2005 HG2 GLU 120 3.835 -44.187 15.451 1.00 21.53 ATOM 2006 CD GLU 120 4.383 -42.133 15.279 1.00 42.51 ATOM 2007 OE1 GLU 120 3.848 -41.888 16.386 1.00 75.24 ATOM 2008 OE2 GLU 120 4.974 -41.258 14.614 1.00 63.11 ATOM 2009 C GLU 120 2.712 -45.966 13.923 1.00 1.21 ATOM 2010 O GLU 120 3.311 -46.888 14.468 1.00 73.04 ATOM 2011 N CYS 121 1.434 -45.680 14.172 1.00 1.53 ATOM 2012 HN CYS 121 1.024 -44.923 13.702 1.00 37.63 ATOM 2013 CA CYS 121 0.626 -46.449 15.131 1.00 62.01 ATOM 2014 HA CYS 121 1.038 -46.279 16.116 1.00 74.31 ATOM 2015 CB CYS 121 -0.825 -45.951 15.112 1.00 1.43 ATOM 2016 HB1 CYS 121 -1.204 -46.005 14.100 1.00 37.63 ATOM 2017 HB2 CYS 121 -0.849 -44.923 15.442 1.00 43.13 ATOM 2018 SG CYS 121 -1.952 -46.890 16.172 1.00 1.30 ATOM 2019 HG CYS 121 -2.417 -47.916 15.467 1.00 21.11 ATOM 2020 C CYS 121 0.655 -47.959 14.837 1.00 55.44 ATOM 2021 O CYS 121 0.727 -48.779 15.756 1.00 74.12 ATOM 2022 N GLU 122 0.595 -48.316 13.555 1.00 74.21 ATOM 2023 HN GLU 122 0.546 -47.615 12.871 1.00 37.63 ATOM 2024 CA GLU 122 0.599 -49.723 13.127 1.00 61.23 ATOM 2025 HA GLU 122 -0.232 -50.214 13.613 1.00 1.14 ATOM 2026 CB GLU 122 0.392 -49.795 11.602 1.00 71.54 ATOM 2027 HB1 GLU 122 1.104 -49.135 11.126 1.00 37.63 ATOM 2028 HB2 GLU 122 -0.605 -49.447 11.375 1.00 45.25 ATOM 2029 CG GLU 122 0.556 -51.190 10.993 1.00 42.12 ATOM 2030 HG1 GLU 122 1.564 -51.533 11.182 1.00 37.63 ATOM 2031 HG2 GLU 122 0.403 -51.118 9.925 1.00 42.15 ATOM 2032 CD GLU 122 -0.423 -52.215 11.550 1.00 0.03 ATOM 2033 OE1 GLU 122 -1.623 -52.142 11.218 1.00 52.40 ATOM 2034 OE2 GLU 122 0.007 -53.113 12.306 1.00 21.41 ATOM 2035 C GLU 122 1.899 -50.450 13.523 1.00 55.50 ATOM 2036 O GLU 122 1.866 -51.521 14.139 1.00 25.11 ATOM 2037 N LYS 123 3.044 -49.868 13.170 1.00 34.43 ATOM 2038 HN LYS 123 3.019 -48.981 12.749 1.00 37.63 ATOM 2039 CA LYS 123 4.341 -50.524 13.390 1.00 34.13 ATOM 2040 HA LYS 123 4.184 -51.590 13.301 1.00 42.34 ATOM 2041 CB LYS 123 5.338 -50.090 12.304 1.00 12.20 ATOM 2042 HB1 LYS 123 6.263 -50.631 12.441 1.00 37.63 ATOM 2043 HB2 LYS 123 5.532 -49.031 12.411 1.00 43.15 ATOM 2044 CG LYS 123 4.841 -50.345 10.877 1.00 34.12 ATOM 2045 HG1 LYS 123 5.632 -50.096 10.183 1.00 37.63 ATOM 2046 HG2 LYS 123 3.985 -49.712 10.688 1.00 64.23 ATOM 2047 CD LYS 123 4.433 -51.805 10.664 1.00 51.53 ATOM 2048 HD1 LYS 123 3.673 -52.065 11.390 1.00 37.63 ATOM 2049 HD2 LYS 123 5.298 -52.436 10.811 1.00 22.03 ATOM 2050 CE LYS 123 3.879 -52.050 9.262 1.00 53.45 ATOM 2051 HE1 LYS 123 3.118 -51.309 9.056 1.00 37.63 ATOM 2052 HE2 LYS 123 3.434 -53.034 9.230 1.00 32.25 ATOM 2053 NZ LYS 123 4.930 -51.964 8.213 1.00 10.01 ATOM 2054 HZ1 LYS 123 4.507 -52.112 7.271 1.00 74.43 ATOM 2055 HZ2 LYS 123 5.657 -52.690 8.371 1.00 24.32 ATOM 2056 HZ3 LYS 123 5.386 -51.030 8.230 1.00 13.34 ATOM 2057 C LYS 123 4.914 -50.239 14.793 1.00 33.31 ATOM 2058 O LYS 123 5.709 -51.021 15.316 1.00 13.34 ATOM 2059 N ARG 124 4.495 -49.132 15.399 1.00 0.44 ATOM 2060 HN ARG 124 3.837 -48.569 14.945 1.00 37.63 ATOM 2061 CA ARG 124 4.983 -48.722 16.726 1.00 12.13 ATOM 2062 HA ARG 124 5.229 -49.620 17.278 1.00 61.54 ATOM 2063 CB ARG 124 6.256 -47.864 16.580 1.00 43.24 ATOM 2064 HB1 ARG 124 6.258 -47.107 17.352 1.00 37.63 ATOM 2065 HB2 ARG 124 6.234 -47.373 15.618 1.00 4.52 ATOM 2066 CG ARG 124 7.567 -48.643 16.681 1.00 32.02 ATOM 2067 HG1 ARG 124 8.381 -47.997 16.384 1.00 37.63 ATOM 2068 HG2 ARG 124 7.522 -49.493 16.014 1.00 33.12 ATOM 2069 CD ARG 124 7.822 -49.142 18.103 1.00 0.22 ATOM 2070 HD1 ARG 124 7.078 -49.886 18.351 1.00 37.63 ATOM 2071 HD2 ARG 124 7.736 -48.307 18.786 1.00 32.04 ATOM 2072 NE ARG 124 9.151 -49.735 18.245 1.00 53.21 ATOM 2073 HE ARG 124 9.642 -49.939 17.425 1.00 33.33 ATOM 2074 CZ ARG 124 9.732 -49.994 19.389 1.00 20.51 ATOM 2075 NH1 ARG 124 9.132 -49.760 20.515 1.00 54.45 ATOM 2076 HH11 ARG 124 8.212 -49.378 20.522 1.00 62.04 ATOM 2077 HH12 ARG 124 9.595 -49.965 21.373 1.00 5.11 ATOM 2078 NH2 ARG 124 10.921 -50.498 19.404 1.00 2.21 ATOM 2079 HH21 ARG 124 11.397 -50.688 18.546 1.00 21.12 ATOM 2080 HH22 ARG 124 11.366 -50.698 20.275 1.00 72.42 ATOM 2081 C ARG 124 3.910 -47.943 17.512 1.00 32.21 ATOM 2082 O ARG 124 3.574 -46.810 17.174 1.00 50.53 ATOM 2083 N GLY 125 3.391 -48.551 18.576 1.00 62.14 ATOM 2084 HN GLY 125 3.689 -49.456 18.798 1.00 37.63 ATOM 2085 CA GLY 125 2.391 -47.891 19.414 1.00 34.44 ATOM 2086 HA1 GLY 125 1.898 -48.639 20.019 1.00 37.63 ATOM 2087 HA2 GLY 125 1.656 -47.419 18.778 1.00 40.13 ATOM 2088 C GLY 125 3.001 -46.837 20.333 1.00 62.53 ATOM 2089 O GLY 125 2.997 -46.984 21.558 1.00 43.41 ATOM 2090 N LEU 126 3.527 -45.774 19.733 1.00 1.31 ATOM 2091 HN LEU 126 3.441 -45.694 18.759 1.00 37.63 ATOM 2092 CA LEU 126 4.237 -44.724 20.471 1.00 1.31 ATOM 2093 HA LEU 126 4.713 -45.181 21.328 1.00 2.12 ATOM 2094 CB LEU 126 5.323 -44.118 19.570 1.00 23.32 ATOM 2095 HB1 LEU 126 5.832 -43.340 20.123 1.00 37.63 ATOM 2096 HB2 LEU 126 4.839 -43.667 18.712 1.00 34.03 ATOM 2097 CG LEU 126 6.374 -45.119 19.066 1.00 14.14 ATOM 2098 HG LEU 126 5.867 -45.990 18.676 1.00 51.20 ATOM 2099 CD1 LEU 126 7.202 -44.520 17.934 1.00 64.51 ATOM 2100 HD11 LEU 126 6.550 -44.253 17.116 1.00 60.25 ATOM 2101 HD12 LEU 126 7.924 -45.249 17.594 1.00 40.25 ATOM 2102 HD13 LEU 126 7.718 -43.638 18.287 1.00 30.23 ATOM 2103 CD2 LEU 126 7.278 -45.577 20.209 1.00 11.11 ATOM 2104 HD21 LEU 126 7.792 -44.724 20.629 1.00 52.30 ATOM 2105 HD22 LEU 126 8.003 -46.285 19.835 1.00 35.31 ATOM 2106 HD23 LEU 126 6.680 -46.049 20.976 1.00 75.11 ATOM 2107 C LEU 126 3.287 -43.621 20.963 1.00 61.40 ATOM 2108 O LEU 126 3.131 -43.413 22.168 1.00 22.54 ATOM 2109 N SER 127 2.639 -42.932 20.029 1.00 73.33 ATOM 2110 HN SER 127 2.716 -43.208 19.090 1.00 37.63 ATOM 2111 CA SER 127 1.806 -41.767 20.361 1.00 74.13 ATOM 2112 HA SER 127 2.081 -41.432 21.353 1.00 22.31 ATOM 2113 CB SER 127 2.079 -40.632 19.369 1.00 23.21 ATOM 2114 HB1 SER 127 3.141 -40.430 19.341 1.00 37.63 ATOM 2115 HB2 SER 127 1.555 -39.744 19.688 1.00 35.24 ATOM 2116 OG SER 127 1.646 -40.971 18.062 1.00 21.40 ATOM 2117 HG SER 127 2.411 -41.197 17.513 1.00 55.32 ATOM 2118 C SER 127 0.304 -42.093 20.352 1.00 21.51 ATOM 2119 O SER 127 -0.125 -43.137 19.850 1.00 52.41 ATOM 2120 N ASN 128 -0.487 -41.189 20.932 1.00 33.33 ATOM 2121 HN ASN 128 -0.072 -40.435 21.400 1.00 37.63 ATOM 2122 CA ASN 128 -1.954 -41.280 20.904 1.00 42.55 ATOM 2123 HA ASN 128 -2.233 -42.098 20.252 1.00 32.24 ATOM 2124 CB ASN 128 -2.512 -41.539 22.312 1.00 34.51 ATOM 2125 HB1 ASN 128 -3.563 -41.782 22.236 1.00 37.63 ATOM 2126 HB2 ASN 128 -2.401 -40.643 22.908 1.00 40.34 ATOM 2127 CG ASN 128 -1.809 -42.675 23.027 1.00 53.32 ATOM 2128 OD1 ASN 128 -2.171 -43.837 22.885 1.00 51.05 ATOM 2129 ND2 ASN 128 -0.804 -42.342 23.807 1.00 4.15 ATOM 2130 HD21 ASN 128 -0.569 -41.396 23.877 1.00 43.31 ATOM 2131 HD22 ASN 128 -0.340 -43.049 24.290 1.00 23.23 ATOM 2132 C ASN 128 -2.558 -39.974 20.358 1.00 52.53 ATOM 2133 O ASN 128 -1.985 -38.897 20.542 1.00 31.04 ATOM 2134 N PRO 129 -3.736 -40.038 19.703 1.00 23.04 ATOM 2135 CA PRO 129 -4.411 -38.834 19.174 1.00 53.32 ATOM 2136 HA PRO 129 -3.805 -38.345 18.422 1.00 3.43 ATOM 2137 CB PRO 129 -5.691 -39.390 18.524 1.00 31.41 ATOM 2138 HB1 PRO 129 -5.556 -39.458 17.453 1.00 37.63 ATOM 2139 HB2 PRO 129 -6.527 -38.737 18.740 1.00 32.03 ATOM 2140 CG PRO 129 -5.883 -40.740 19.135 1.00 23.24 ATOM 2141 HG1 PRO 129 -6.397 -41.390 18.440 1.00 37.63 ATOM 2142 HG2 PRO 129 -6.448 -40.653 20.053 1.00 3.52 ATOM 2143 CD PRO 129 -4.501 -41.266 19.418 1.00 55.22 ATOM 2144 HD1 PRO 129 -4.101 -41.779 18.554 1.00 37.63 ATOM 2145 HD2 PRO 129 -4.514 -41.923 20.277 1.00 34.12 ATOM 2146 C PRO 129 -4.758 -37.818 20.279 1.00 13.30 ATOM 2147 O PRO 129 -4.804 -36.611 20.040 1.00 42.10 ATOM 2148 N ASN 130 -4.992 -38.320 21.492 1.00 31.41 ATOM 2149 HN ASN 130 -4.948 -39.290 21.618 1.00 37.63 ATOM 2150 CA ASN 130 -5.331 -37.465 22.637 1.00 14.52 ATOM 2151 HA ASN 130 -6.148 -36.825 22.336 1.00 41.32 ATOM 2152 CB ASN 130 -5.792 -38.328 23.819 1.00 25.21 ATOM 2153 HB1 ASN 130 -6.053 -37.686 24.649 1.00 37.63 ATOM 2154 HB2 ASN 130 -4.984 -38.982 24.116 1.00 53.44 ATOM 2155 CG ASN 130 -6.999 -39.181 23.470 1.00 71.13 ATOM 2156 OD1 ASN 130 -7.817 -38.810 22.639 1.00 2.43 ATOM 2157 ND2 ASN 130 -7.114 -40.333 24.094 1.00 25.43 ATOM 2158 HD21 ASN 130 -6.422 -40.581 24.741 1.00 62.43 ATOM 2159 HD22 ASN 130 -7.885 -40.894 23.883 1.00 71.32 ATOM 2160 C ASN 130 -4.145 -36.576 23.053 1.00 1.52 ATOM 2161 O ASN 130 -4.275 -35.351 23.138 1.00 41.11 ATOM 2162 N GLU 131 -2.989 -37.191 23.311 1.00 71.04 ATOM 2163 HN GLU 131 -2.949 -38.173 23.278 1.00 37.63 ATOM 2164 CA GLU 131 -1.777 -36.439 23.666 1.00 43.43 ATOM 2165 HA GLU 131 -2.014 -35.829 24.528 1.00 32.32 ATOM 2166 CB GLU 131 -0.636 -37.401 24.040 1.00 2.44 ATOM 2167 HB1 GLU 131 -1.019 -38.129 24.741 1.00 37.63 ATOM 2168 HB2 GLU 131 0.151 -36.843 24.520 1.00 74.02 ATOM 2169 CG GLU 131 -0.032 -38.153 22.860 1.00 3.04 ATOM 2170 HG1 GLU 131 0.321 -37.435 22.132 1.00 37.63 ATOM 2171 HG2 GLU 131 -0.799 -38.769 22.410 1.00 40.14 ATOM 2172 CD GLU 131 1.129 -39.040 23.272 1.00 13.54 ATOM 2173 OE1 GLU 131 0.910 -40.245 23.478 1.00 11.14 ATOM 2174 OE2 GLU 131 2.258 -38.533 23.412 1.00 64.05 ATOM 2175 C GLU 131 -1.346 -35.512 22.515 1.00 62.21 ATOM 2176 O GLU 131 -0.804 -34.429 22.745 1.00 4.15 ATOM 2177 N LEU 132 -1.597 -35.953 21.277 1.00 64.24 ATOM 2178 HN LEU 132 -2.005 -36.839 21.166 1.00 37.63 ATOM 2179 CA LEU 132 -1.278 -35.168 20.075 1.00 23.23 ATOM 2180 HA LEU 132 -0.202 -35.121 19.990 1.00 11.13 ATOM 2181 CB LEU 132 -1.843 -35.872 18.828 1.00 45.01 ATOM 2182 HB1 LEU 132 -2.911 -35.974 18.956 1.00 37.63 ATOM 2183 HB2 LEU 132 -1.413 -36.864 18.778 1.00 33.41 ATOM 2184 CG LEU 132 -1.585 -35.167 17.482 1.00 13.23 ATOM 2185 HG LEU 132 -1.971 -34.159 17.537 1.00 71.23 ATOM 2186 CD1 LEU 132 -0.090 -35.075 17.191 1.00 21.42 ATOM 2187 HD11 LEU 132 0.334 -36.068 17.157 1.00 42.24 ATOM 2188 HD12 LEU 132 0.394 -34.503 17.970 1.00 1.14 ATOM 2189 HD13 LEU 132 0.062 -34.585 16.240 1.00 34.32 ATOM 2190 CD2 LEU 132 -2.315 -35.887 16.347 1.00 24.21 ATOM 2191 HD21 LEU 132 -3.378 -35.883 16.542 1.00 62.02 ATOM 2192 HD22 LEU 132 -1.966 -36.908 16.279 1.00 32.20 ATOM 2193 HD23 LEU 132 -2.120 -35.378 15.413 1.00 41.34 ATOM 2194 C LEU 132 -1.831 -33.734 20.166 1.00 2.40 ATOM 2195 O LEU 132 -1.116 -32.768 19.892 1.00 34.15 ATOM 2196 N GLN 133 -3.099 -33.601 20.562 1.00 23.42 ATOM 2197 HN GLN 133 -3.621 -34.407 20.771 1.00 37.63 ATOM 2198 CA GLN 133 -3.736 -32.280 20.690 1.00 4.41 ATOM 2199 HA GLN 133 -3.724 -31.816 19.713 1.00 54.14 ATOM 2200 CB GLN 133 -5.198 -32.435 21.144 1.00 71.15 ATOM 2201 HB1 GLN 133 -5.211 -32.919 22.112 1.00 37.63 ATOM 2202 HB2 GLN 133 -5.716 -33.064 20.435 1.00 71.23 ATOM 2203 CG GLN 133 -5.965 -31.116 21.260 1.00 12.12 ATOM 2204 HG1 GLN 133 -5.495 -30.507 22.022 1.00 37.63 ATOM 2205 HG2 GLN 133 -6.982 -31.332 21.556 1.00 12.02 ATOM 2206 CD GLN 133 -6.001 -30.327 19.956 1.00 60.20 ATOM 2207 OE1 GLN 133 -6.884 -30.514 19.125 1.00 73.53 ATOM 2208 NE2 GLN 133 -5.059 -29.421 19.775 1.00 55.22 ATOM 2209 HE21 GLN 133 -4.391 -29.294 20.486 1.00 63.32 ATOM 2210 HE22 GLN 133 -5.062 -28.917 18.937 1.00 42.11 ATOM 2211 C GLN 133 -2.966 -31.375 21.670 1.00 71.24 ATOM 2212 O GLN 133 -2.644 -30.229 21.348 1.00 44.53 ATOM 2213 N ALA 134 -2.662 -31.904 22.856 1.00 60.50 ATOM 2214 HN ALA 134 -2.951 -32.818 23.054 1.00 37.63 ATOM 2215 CA ALA 134 -1.907 -31.159 23.875 1.00 34.11 ATOM 2216 HA ALA 134 -2.464 -30.262 24.111 1.00 35.13 ATOM 2217 CB ALA 134 -1.789 -31.990 25.146 1.00 53.35 ATOM 2218 HB1 ALA 134 -1.296 -31.410 25.914 1.00 60.23 ATOM 2219 HB2 ALA 134 -1.212 -32.881 24.943 1.00 2.32 ATOM 2220 HB3 ALA 134 -2.775 -32.271 25.485 1.00 12.14 ATOM 2221 C ALA 134 -0.510 -30.758 23.368 1.00 11.24 ATOM 2222 O ALA 134 0.008 -29.688 23.709 1.00 3.34 ATOM 2223 N ALA 135 0.095 -31.633 22.565 1.00 73.40 ATOM 2224 HN ALA 135 -0.340 -32.499 22.397 1.00 37.63 ATOM 2225 CA ALA 135 1.391 -31.358 21.931 1.00 70.22 ATOM 2226 HA ALA 135 2.119 -31.175 22.709 1.00 14.43 ATOM 2227 CB ALA 135 1.835 -32.576 21.130 1.00 21.22 ATOM 2228 HB1 ALA 135 2.828 -32.411 20.738 1.00 62.51 ATOM 2229 HB2 ALA 135 1.146 -32.737 20.307 1.00 32.22 ATOM 2230 HB3 ALA 135 1.839 -33.446 21.769 1.00 52.00 ATOM 2231 C ALA 135 1.311 -30.132 21.009 1.00 31.12 ATOM 2232 O ALA 135 2.150 -29.227 21.058 1.00 14.02 ATOM 2233 N ILE 136 0.273 -30.113 20.183 1.00 71.04 ATOM 2234 HN ILE 136 -0.385 -30.838 20.242 1.00 37.63 ATOM 2235 CA ILE 136 0.055 -29.043 19.211 1.00 72.02 ATOM 2236 HA ILE 136 0.962 -28.914 18.633 1.00 4.23 ATOM 2237 CB ILE 136 -1.094 -29.422 18.253 1.00 70.12 ATOM 2238 HB ILE 136 -1.992 -29.548 18.845 1.00 73.52 ATOM 2239 CG1 ILE 136 -0.760 -30.749 17.550 1.00 12.40 ATOM 2240 HG11 ILE 136 -0.446 -31.471 18.291 1.00 37.63 ATOM 2241 HG12 ILE 136 0.049 -30.585 16.854 1.00 61.02 ATOM 2242 CG2 ILE 136 -1.349 -28.312 17.232 1.00 42.24 ATOM 2243 HG21 ILE 136 -1.628 -27.404 17.748 1.00 23.42 ATOM 2244 HG22 ILE 136 -2.149 -28.607 16.569 1.00 74.11 ATOM 2245 HG23 ILE 136 -0.451 -28.137 16.657 1.00 3.40 ATOM 2246 CD1 ILE 136 -1.911 -31.351 16.778 1.00 73.15 ATOM 2247 HD11 ILE 136 -2.736 -31.535 17.449 1.00 71.13 ATOM 2248 HD12 ILE 136 -1.592 -32.285 16.338 1.00 21.52 ATOM 2249 HD13 ILE 136 -2.222 -30.671 15.999 1.00 13.03 ATOM 2250 C ILE 136 -0.283 -27.736 19.921 1.00 42.13 ATOM 2251 O ILE 136 0.212 -26.666 19.564 1.00 71.01 ATOM 2252 N ASP 137 -1.130 -27.846 20.932 1.00 52.55 ATOM 2253 HN ASP 137 -1.540 -28.721 21.108 1.00 37.63 ATOM 2254 CA ASP 137 -1.480 -26.724 21.791 1.00 61.42 ATOM 2255 HA ASP 137 -2.007 -25.997 21.187 1.00 40.53 ATOM 2256 CB ASP 137 -2.406 -27.217 22.902 1.00 54.02 ATOM 2257 HB1 ASP 137 -2.219 -26.660 23.794 1.00 37.63 ATOM 2258 HB2 ASP 137 -2.194 -28.259 23.092 1.00 22.34 ATOM 2259 CG ASP 137 -3.871 -27.084 22.538 1.00 10.25 ATOM 2260 OD1 ASP 137 -4.522 -28.110 22.260 1.00 74.40 ATOM 2261 OD2 ASP 137 -4.375 -25.942 22.513 1.00 5.52 ATOM 2262 C ASP 137 -0.228 -26.057 22.384 1.00 54.14 ATOM 2263 O ASP 137 -0.075 -24.836 22.324 1.00 45.14 ATOM 2264 N SER 138 0.668 -26.866 22.942 1.00 50.12 ATOM 2265 HN SER 138 0.468 -27.826 23.008 1.00 37.63 ATOM 2266 CA SER 138 1.941 -26.359 23.471 1.00 63.25 ATOM 2267 HA SER 138 1.714 -25.655 24.263 1.00 42.20 ATOM 2268 CB SER 138 2.779 -27.507 24.048 1.00 33.02 ATOM 2269 HB1 SER 138 2.949 -28.248 23.280 1.00 37.63 ATOM 2270 HB2 SER 138 2.247 -27.961 24.871 1.00 35.52 ATOM 2271 OG SER 138 4.034 -27.043 24.521 1.00 22.15 ATOM 2272 HG SER 138 4.278 -27.536 25.314 1.00 45.52 ATOM 2273 C SER 138 2.743 -25.634 22.382 1.00 71.45 ATOM 2274 O SER 138 3.283 -24.553 22.609 1.00 72.52 ATOM 2275 N ASN 139 2.796 -26.225 21.186 1.00 61.23 ATOM 2276 HN ASN 139 2.314 -27.071 21.052 1.00 37.63 ATOM 2277 CA ASN 139 3.545 -25.640 20.063 1.00 23.44 ATOM 2278 HA ASN 139 4.546 -25.435 20.416 1.00 64.30 ATOM 2279 CB ASN 139 3.635 -26.632 18.897 1.00 23.31 ATOM 2280 HB1 ASN 139 3.938 -26.103 18.003 1.00 37.63 ATOM 2281 HB2 ASN 139 2.660 -27.069 18.731 1.00 40.42 ATOM 2282 CG ASN 139 4.624 -27.759 19.141 1.00 72.44 ATOM 2283 OD1 ASN 139 5.265 -28.233 18.211 1.00 41.51 ATOM 2284 ND2 ASN 139 4.742 -28.222 20.369 1.00 0.21 ATOM 2285 HD21 ASN 139 4.192 -27.828 21.072 1.00 2.23 ATOM 2286 HD22 ASN 139 5.375 -28.956 20.519 1.00 71.41 ATOM 2287 C ASN 139 2.926 -24.321 19.568 1.00 14.21 ATOM 2288 O ASN 139 3.647 -23.381 19.229 1.00 62.10 ATOM 2289 N ARG 140 1.595 -24.253 19.515 1.00 2.42 ATOM 2290 HN ARG 140 1.064 -25.026 19.797 1.00 37.63 ATOM 2291 CA ARG 140 0.913 -23.041 19.042 1.00 2.52 ATOM 2292 HA ARG 140 1.499 -22.658 18.215 1.00 10.01 ATOM 2293 CB ARG 140 -0.499 -23.360 18.512 1.00 13.32 ATOM 2294 HB1 ARG 140 -0.402 -24.071 17.702 1.00 37.63 ATOM 2295 HB2 ARG 140 -0.932 -22.452 18.120 1.00 51.52 ATOM 2296 CG ARG 140 -1.480 -23.943 19.527 1.00 40.34 ATOM 2297 HG1 ARG 140 -1.640 -23.226 20.319 1.00 37.63 ATOM 2298 HG2 ARG 140 -1.068 -24.855 19.937 1.00 50.43 ATOM 2299 CD ARG 140 -2.818 -24.255 18.853 1.00 31.41 ATOM 2300 HD1 ARG 140 -2.625 -24.861 17.978 1.00 37.63 ATOM 2301 HD2 ARG 140 -3.273 -23.325 18.545 1.00 55.52 ATOM 2302 NE ARG 140 -3.756 -24.966 19.721 1.00 21.12 ATOM 2303 HE ARG 140 -3.605 -24.929 20.688 1.00 33.33 ATOM 2304 CZ ARG 140 -4.783 -25.650 19.279 1.00 31.01 ATOM 2305 NH1 ARG 140 -5.034 -25.717 18.010 1.00 14.15 ATOM 2306 HH11 ARG 140 -4.449 -25.243 17.359 1.00 61.25 ATOM 2307 HH12 ARG 140 -5.812 -26.255 17.682 1.00 13.34 ATOM 2308 NH2 ARG 140 -5.558 -26.262 20.110 1.00 62.05 ATOM 2309 HH21 ARG 140 -5.373 -26.216 21.091 1.00 24.43 ATOM 2310 HH22 ARG 140 -6.340 -26.779 19.775 1.00 53.34 ATOM 2311 C ARG 140 0.878 -21.947 20.122 1.00 54.21 ATOM 2312 O ARG 140 0.729 -20.765 19.814 1.00 73.10 ATOM 2313 N ARG 141 0.999 -22.347 21.387 1.00 51.44 ATOM 2314 HN ARG 141 0.970 -23.305 21.589 1.00 37.63 ATOM 2315 CA ARG 141 1.156 -21.388 22.488 1.00 61.10 ATOM 2316 HA ARG 141 0.546 -20.522 22.266 1.00 52.34 ATOM 2317 CB ARG 141 0.677 -22.011 23.809 1.00 60.44 ATOM 2318 HB1 ARG 141 1.275 -22.888 24.018 1.00 37.63 ATOM 2319 HB2 ARG 141 -0.356 -22.311 23.698 1.00 51.32 ATOM 2320 CG ARG 141 0.777 -21.067 25.006 1.00 53.34 ATOM 2321 HG1 ARG 141 0.164 -20.197 24.815 1.00 37.63 ATOM 2322 HG2 ARG 141 1.807 -20.760 25.126 1.00 75.45 ATOM 2323 CD ARG 141 0.310 -21.727 26.299 1.00 2.42 ATOM 2324 HD1 ARG 141 0.446 -21.032 27.112 1.00 37.63 ATOM 2325 HD2 ARG 141 0.916 -22.605 26.477 1.00 50.32 ATOM 2326 NE ARG 141 -1.094 -22.129 26.242 1.00 60.12 ATOM 2327 HE ARG 141 -1.292 -23.034 25.927 1.00 31.52 ATOM 2328 CZ ARG 141 -2.096 -21.375 26.614 1.00 24.23 ATOM 2329 NH1 ARG 141 -1.909 -20.149 26.987 1.00 23.44 ATOM 2330 HH11 ARG 141 -0.992 -19.759 26.993 1.00 1.21 ATOM 2331 HH12 ARG 141 -2.691 -19.594 27.270 1.00 54.25 ATOM 2332 NH2 ARG 141 -3.294 -21.849 26.592 1.00 0.54 ATOM 2333 HH21 ARG 141 -3.454 -22.788 26.294 1.00 23.32 ATOM 2334 HH22 ARG 141 -4.057 -21.275 26.876 1.00 64.41 ATOM 2335 C ARG 141 2.625 -20.937 22.618 1.00 35.22 ATOM 2336 O ARG 141 2.912 -19.845 23.114 1.00 24.41 ATOM 2337 N GLU 142 3.550 -21.793 22.184 1.00 41.53 ATOM 2338 HN GLU 142 3.267 -22.668 21.851 1.00 37.63 ATOM 2339 CA GLU 142 4.982 -21.485 22.206 1.00 43.10 ATOM 2340 HA GLU 142 5.197 -20.974 23.134 1.00 64.34 ATOM 2341 CB GLU 142 5.776 -22.802 22.165 1.00 14.02 ATOM 2342 HB1 GLU 142 5.689 -23.227 21.174 1.00 37.63 ATOM 2343 HB2 GLU 142 5.333 -23.490 22.873 1.00 24.43 ATOM 2344 CG GLU 142 7.261 -22.670 22.504 1.00 64.43 ATOM 2345 HG1 GLU 142 7.549 -23.514 23.115 1.00 37.63 ATOM 2346 HG2 GLU 142 7.403 -21.762 23.069 1.00 31.32 ATOM 2347 CD GLU 142 8.164 -22.630 21.278 1.00 54.24 ATOM 2348 OE1 GLU 142 8.806 -21.588 21.031 1.00 74.34 ATOM 2349 OE2 GLU 142 8.241 -23.652 20.562 1.00 43.33 ATOM 2350 C GLU 142 5.371 -20.567 21.029 1.00 32.23 ATOM 2351 O GLU 142 4.658 -20.488 20.027 1.00 32.55 ATOM 2352 N GLY 143 6.501 -19.873 21.155 1.00 24.21 ATOM 2353 HN GLY 143 7.063 -20.012 21.948 1.00 37.63 ATOM 2354 CA GLY 143 6.916 -18.917 20.130 1.00 24.22 ATOM 2355 HA1 GLY 143 6.820 -19.378 19.157 1.00 37.63 ATOM 2356 HA2 GLY 143 7.953 -18.660 20.293 1.00 34.53 ATOM 2357 C GLY 143 6.083 -17.639 20.157 1.00 62.21 ATOM 2358 O GLY 143 6.062 -16.873 19.192 1.00 64.12 ATOM 2359 N ARG 144 5.397 -17.425 21.277 1.00 11.35 ATOM 2360 HN ARG 144 5.482 -18.077 22.005 1.00 37.63 ATOM 2361 CA ARG 144 4.522 -16.265 21.475 1.00 72.34 ATOM 2362 HA ARG 144 5.060 -15.379 21.171 1.00 42.12 ATOM 2363 CB ARG 144 3.245 -16.401 20.629 1.00 51.40 ATOM 2364 HB1 ARG 144 3.515 -16.363 19.583 1.00 37.63 ATOM 2365 HB2 ARG 144 2.590 -15.569 20.851 1.00 61.20 ATOM 2366 CG ARG 144 2.475 -17.700 20.878 1.00 60.51 ATOM 2367 HG1 ARG 144 2.613 -17.997 21.909 1.00 37.63 ATOM 2368 HG2 ARG 144 2.869 -18.470 20.230 1.00 12.02 ATOM 2369 CD ARG 144 0.983 -17.544 20.606 1.00 20.44 ATOM 2370 HD1 ARG 144 0.523 -18.523 20.624 1.00 37.63 ATOM 2371 HD2 ARG 144 0.850 -17.104 19.628 1.00 11.01 ATOM 2372 NE ARG 144 0.334 -16.696 21.608 1.00 52.21 ATOM 2373 HE ARG 144 0.653 -16.766 22.531 1.00 64.05 ATOM 2374 CZ ARG 144 -0.647 -15.871 21.358 1.00 14.42 ATOM 2375 NH1 ARG 144 -1.097 -15.723 20.153 1.00 24.11 ATOM 2376 HH11 ARG 144 -0.694 -16.241 19.403 1.00 44.24 ATOM 2377 HH12 ARG 144 -1.845 -15.088 19.976 1.00 33.52 ATOM 2378 NH2 ARG 144 -1.171 -15.183 22.320 1.00 34.42 ATOM 2379 HH21 ARG 144 -0.822 -15.282 23.254 1.00 11.14 ATOM 2380 HH22 ARG 144 -1.917 -14.549 22.131 1.00 25.02 ATOM 2381 C ARG 144 4.135 -16.133 22.956 1.00 74.30 ATOM 2382 O ARG 144 4.699 -16.811 23.817 1.00 1.23 ATOM 2383 N ARG 145 3.184 -15.251 23.254 1.00 24.20 ATOM 2384 HN ARG 145 2.843 -14.657 22.552 1.00 37.63 ATOM 2385 HA ARG 145 3.139 -15.878 25.232 1.00 12.44 ATOM 2386 CB ARG 145 2.883 -13.746 25.198 1.00 1.32 ATOM 2387 HB1 ARG 145 2.580 -13.744 26.237 1.00 37.63 ATOM 2388 HB2 ARG 145 2.281 -13.028 24.657 1.00 53.12 ATOM 2389 CG ARG 145 4.343 -13.298 25.124 1.00 32.35 ATOM 2390 HG1 ARG 145 4.600 -13.113 24.091 1.00 37.63 ATOM 2391 HG2 ARG 145 4.972 -14.085 25.517 1.00 23.51 ATOM 2392 CD ARG 145 4.590 -12.026 25.931 1.00 75.10 ATOM 2393 HD1 ARG 145 3.837 -11.295 25.669 1.00 37.63 ATOM 2394 HD2 ARG 145 5.567 -11.639 25.681 1.00 61.31 ATOM 2395 NE ARG 145 4.534 -12.276 27.372 1.00 61.41 ATOM 2396 HE ARG 145 4.817 -13.158 27.687 1.00 33.22 ATOM 2397 CZ ARG 145 4.148 -11.402 28.262 1.00 42.03 ATOM 2398 NH1 ARG 145 3.735 -10.228 27.911 1.00 74.44 ATOM 2399 HH11 ARG 145 3.706 -9.975 26.949 1.00 42.02 ATOM 2400 HH12 ARG 145 3.438 -9.579 28.611 1.00 72.34 ATOM 2401 NH2 ARG 145 4.169 -11.711 29.513 1.00 42.31 ATOM 2402 HH21 ARG 145 4.482 -12.615 29.798 1.00 64.21 ATOM 2403 HH22 ARG 145 3.865 -11.046 30.194 1.00 11.34 ATOM 2404 CA ARG 145 2.631 -15.148 24.613 1.00 53.11 ATOM 2405 C ARG 145 1.126 -15.481 24.608 1.00 75.24 ATOM 2406 OT1 ARG 145 0.779 -16.686 24.620 1.00 37.63 ATOM 2407 OT2 ARG 145 0.299 -14.546 24.553 1.00 37.63 ATOM 2408 OH2 TIP3 1 -1.330 -46.137 -17.627 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -0.670 -45.981 -16.922 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -1.709 -47.018 -17.404 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -3.997 -53.625 -3.014 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -3.289 -52.959 -2.894 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -4.523 -53.276 -3.762 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -2.474 -51.309 -2.756 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -3.187 -50.699 -2.472 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -1.869 -51.352 -1.985 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -5.233 -52.323 -5.114 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -6.013 -52.154 -4.534 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -4.896 -51.422 -5.331 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -3.507 -54.045 -6.379 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -3.288 -54.508 -5.565 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -4.211 -53.414 -6.113 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -2.278 -58.884 0.403 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -2.559 -58.309 -0.338 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.626 -58.353 0.879 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -5.014 -59.129 2.829 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -5.127 -59.367 3.780 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -4.359 -59.779 2.501 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -7.276 -51.801 -3.400 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -7.870 -51.073 -3.674 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -7.502 -51.954 -2.465 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -9.482 -52.293 1.895 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -10.256 -51.702 1.754 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -9.489 -52.465 2.844 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -9.116 -49.845 -4.112 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -9.601 -50.063 -3.285 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -8.989 -48.873 -4.064 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -11.619 -50.509 2.127 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -11.257 -49.775 2.639 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -12.529 -50.626 2.481 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -8.044 -52.262 -0.660 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -8.519 -52.249 0.193 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -7.403 -52.986 -0.562 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -8.800 -50.800 -6.648 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -8.965 -50.479 -5.732 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -8.321 -51.625 -6.525 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -9.365 -48.531 -8.052 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -9.722 -48.867 -8.876 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -9.167 -49.341 -7.528 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -1.368 -61.424 4.141 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -0.658 -61.907 3.706 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -2.015 -61.250 3.423 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -7.724 -58.666 2.514 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -8.220 -59.517 2.480 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -6.787 -58.932 2.431 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -5.506 -54.244 -0.844 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -4.956 -54.130 -1.657 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -5.801 -55.164 -0.886 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -4.764 -51.701 -0.164 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -4.851 -51.008 -0.842 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -5.059 -52.513 -0.612 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -7.684 -54.352 1.492 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -8.345 -53.659 1.673 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -8.173 -55.189 1.636 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -1.691 -53.669 -8.418 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -2.265 -53.771 -7.624 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -2.262 -53.913 -9.151 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -4.689 -56.822 1.159 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -4.160 -56.996 0.356 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -4.725 -57.684 1.617 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -12.396 -49.961 -0.510 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -12.032 -50.103 0.388 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -11.681 -50.268 -1.106 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -9.925 -50.448 -1.604 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -9.747 -49.665 -1.028 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -9.274 -51.115 -1.308 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -4.294 -49.827 -5.614 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -3.329 -49.829 -5.439 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -4.429 -49.061 -6.181 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -15.838 -49.180 8.599 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -14.933 -49.119 8.955 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -15.828 -49.976 8.063 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -9.275 -56.489 2.227 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -10.103 -56.873 1.915 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -8.671 -57.266 2.322 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -5.282 -59.880 5.440 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -5.546 -60.730 5.862 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -5.769 -59.201 5.957 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -8.610 -59.374 5.165 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -8.274 -58.847 4.427 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -8.117 -59.041 5.940 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -0.107 -54.126 -1.571 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 0.878 -54.011 -1.535 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -0.455 -53.228 -1.401 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -1.762 -57.074 4.334 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -2.579 -56.650 4.655 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -1.751 -57.936 4.789 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -3.041 -60.913 1.990 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -2.741 -60.200 1.370 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -3.285 -61.642 1.408 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -14.205 -50.800 3.108 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -14.147 -50.315 3.964 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -14.719 -51.588 3.319 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -15.973 -47.427 1.228 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -16.844 -47.343 0.835 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -15.673 -48.326 0.959 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -9.645 -48.285 -0.030 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -10.086 -47.488 -0.387 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -8.986 -47.932 0.594 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -14.924 -49.822 0.580 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -14.702 -50.195 1.454 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -14.105 -49.938 0.056 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -8.671 -47.123 -3.947 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -9.482 -46.578 -3.884 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -8.339 -46.955 -4.864 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -4.639 -54.631 11.190 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -4.092 -55.321 10.756 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -4.400 -54.706 12.145 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -5.205 -51.596 15.051 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -4.712 -51.590 14.202 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -5.239 -52.530 15.297 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -9.929 -50.464 12.303 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -10.360 -51.127 12.849 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -9.013 -50.421 12.660 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -1.072 -55.610 12.170 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -0.713 -55.853 13.053 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -0.791 -54.672 12.052 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -3.778 -51.479 12.674 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -3.000 -51.697 12.090 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -4.554 -51.607 12.089 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -6.095 -52.296 11.374 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -5.665 -53.179 11.345 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -6.567 -52.233 10.515 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -1.766 -50.539 19.751 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -2.457 -50.033 20.202 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -1.436 -49.927 19.057 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -6.120 -55.466 7.220 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -6.993 -55.017 7.176 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -5.567 -54.857 7.753 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -3.741 -55.037 13.730 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -3.353 -55.882 13.979 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -3.044 -54.380 13.942 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -6.792 -58.192 6.980 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -6.614 -57.230 6.974 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -6.612 -58.461 7.911 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -7.439 -50.940 13.410 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -6.996 -51.392 12.665 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -6.779 -50.957 14.125 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 0.180 -53.670 20.445 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -0.561 -53.558 19.805 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -0.191 -54.221 21.142 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -9.730 -51.554 8.595 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -9.998 -50.801 9.158 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -8.789 -51.692 8.813 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -8.066 -44.862 11.849 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -8.334 -44.973 12.795 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -8.733 -45.355 11.357 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -2.561 -59.470 5.693 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -3.528 -59.603 5.595 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -2.164 -60.177 5.143 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -4.338 -44.646 19.250 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -3.479 -44.874 19.664 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -4.302 -45.072 18.368 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -1.942 -58.198 12.600 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -1.451 -58.286 13.424 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -1.682 -57.320 12.261 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -6.989 -52.396 8.735 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -7.489 -52.951 8.100 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -6.054 -52.643 8.583 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -3.364 -58.908 10.286 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -2.944 -59.038 11.162 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.211 -57.957 10.092 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -3.940 -55.966 5.653 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -3.180 -55.885 6.277 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -4.729 -55.866 6.228 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -4.521 -53.537 19.080 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -5.290 -53.886 19.536 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -4.853 -52.719 18.637 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -2.785 -56.252 10.014 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -2.071 -55.945 10.613 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -2.405 -56.149 9.115 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -9.219 -60.907 2.932 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -9.155 -60.582 3.856 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -9.767 -61.693 2.995 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -12.206 -50.633 7.510 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -11.396 -51.167 7.625 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -12.198 -50.031 8.267 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -8.383 -53.943 6.930 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -9.217 -53.496 7.140 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -8.522 -54.301 6.018 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -13.368 -48.177 9.378 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -13.964 -47.454 9.636 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -12.886 -47.820 8.602 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -5.999 -56.193 3.801 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -5.236 -56.211 4.417 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -5.975 -57.062 3.369 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -0.694 -54.706 3.194 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -0.907 -55.571 3.604 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 0.163 -54.464 3.580 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -8.447 -55.014 4.433 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -8.962 -55.507 3.767 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -7.541 -55.377 4.345 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -0.777 -48.698 17.979 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -1.243 -48.082 17.386 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -0.020 -49.010 17.444 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.519 -53.638 8.592 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -3.579 -53.411 8.443 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -4.545 -53.933 9.528 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 3.406 -53.719 13.441 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 2.813 -52.983 13.696 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 2.977 -54.104 12.642 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -0.906 -54.281 16.436 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -1.293 -53.944 17.275 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -1.396 -53.794 15.733 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -1.941 -53.058 14.248 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -2.504 -52.341 13.906 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -1.173 -53.074 13.623 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -1.629 -53.311 8.724 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -1.748 -52.932 9.632 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -0.809 -52.895 8.401 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -6.032 -58.611 9.564 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -6.270 -57.962 10.233 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -5.108 -58.854 9.784 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -5.456 -51.317 17.858 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -5.464 -51.220 16.890 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -5.327 -50.398 18.189 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -5.016 -48.705 18.555 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -5.738 -48.076 18.741 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -4.217 -48.268 18.924 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 0.135 -47.947 25.732 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -0.261 -48.296 26.549 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 0.898 -48.546 25.556 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -6.149 -39.165 -21.719 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -5.348 -38.629 -21.532 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -5.987 -40.009 -21.245 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -4.124 -37.452 -21.163 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -4.372 -36.565 -20.832 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -3.299 -37.672 -20.671 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -10.008 -37.214 -19.933 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -9.067 -37.071 -20.204 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -10.467 -37.396 -20.761 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.333 -43.692 -16.858 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -1.694 -43.377 -16.204 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -1.982 -44.569 -17.133 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -5.448 -41.505 -20.445 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -4.828 -41.996 -19.862 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -5.323 -41.926 -21.331 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 0.515 -48.663 -20.589 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -0.312 -49.123 -20.754 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 0.852 -49.064 -19.762 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -4.066 -34.032 -16.375 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -3.142 -34.285 -16.571 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -4.392 -33.644 -17.212 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -3.673 -43.183 -19.170 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -3.045 -43.677 -19.724 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -3.258 -43.186 -18.281 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.479 -39.829 -24.338 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -5.907 -39.676 -23.472 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -6.173 -40.215 -24.880 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -5.353 -35.025 -20.388 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -5.287 -34.418 -21.134 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -5.457 -34.436 -19.613 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -10.757 -35.470 -17.967 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -11.720 -35.512 -17.968 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -10.487 -36.173 -18.606 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -10.659 -42.521 -17.275 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -11.089 -43.377 -17.216 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -9.873 -42.686 -17.834 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -10.926 -42.694 -11.635 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -11.697 -42.528 -12.219 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -11.238 -43.394 -11.015 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.781 -42.646 -22.807 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -4.050 -43.287 -22.642 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.549 -42.238 -23.648 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -7.443 -40.721 -18.738 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -6.697 -40.889 -19.354 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -7.969 -41.548 -18.775 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -2.568 -44.178 -22.321 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -1.802 -44.323 -22.904 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -2.242 -44.433 -21.436 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -4.071 -27.926 -13.929 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -3.915 -28.784 -14.385 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -3.205 -27.459 -14.002 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -10.171 -38.631 -15.338 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -9.801 -38.547 -16.248 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -9.537 -39.220 -14.876 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -13.071 -41.942 -13.267 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -13.764 -42.449 -13.705 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -12.590 -41.498 -14.015 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -9.663 -34.220 -15.762 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -10.520 -33.905 -15.452 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -9.885 -34.799 -16.527 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -7.420 -36.970 -20.612 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -7.057 -37.735 -21.109 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -6.762 -36.261 -20.748 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -8.296 -34.496 -18.817 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -8.161 -33.603 -18.452 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -9.244 -34.668 -18.682 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -5.272 -32.612 -14.323 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -4.774 -33.176 -14.962 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -6.114 -33.101 -14.182 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -8.506 -43.248 -18.898 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -8.601 -43.672 -19.758 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -7.667 -43.628 -18.536 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -6.105 -44.283 -18.197 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -5.746 -44.592 -17.343 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -5.318 -43.979 -18.689 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -1.805 -38.483 -20.145 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -1.704 -39.430 -20.007 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -1.244 -38.292 -20.926 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -3.660 -30.749 -17.592 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -3.135 -30.002 -17.908 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -3.679 -30.632 -16.621 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.681 -33.796 -13.911 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.018 -34.121 -13.069 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -8.400 -33.986 -14.548 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -11.794 -40.899 -15.376 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -11.387 -41.418 -16.107 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -11.333 -40.040 -15.408 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -8.386 -40.080 -13.837 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -7.739 -40.159 -14.575 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -8.416 -40.980 -13.452 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -9.022 -38.618 -17.786 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -8.494 -39.382 -18.101 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -9.413 -38.247 -18.600 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -6.814 -40.490 -16.045 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -6.468 -41.332 -15.675 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -6.978 -40.690 -16.987 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -8.433 -42.726 -12.808 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -9.359 -42.755 -12.482 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -7.897 -42.935 -12.018 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -1.398 -28.567 -18.844 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -2.049 -27.832 -18.919 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -0.616 -28.234 -19.337 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -0.507 -34.101 -23.006 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -0.356 -34.426 -23.916 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -0.917 -34.847 -22.553 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -1.400 -40.348 -24.946 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -2.051 -39.803 -24.469 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -0.573 -39.831 -24.897 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -1.326 -31.043 -20.059 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -2.114 -31.465 -19.700 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -1.344 -30.141 -19.680 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -3.186 -38.646 -23.424 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -3.965 -39.006 -23.906 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -3.572 -38.253 -22.611 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -0.843 -41.853 -11.030 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -0.786 -42.377 -10.208 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -1.449 -42.367 -11.593 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -4.656 -44.739 -15.806 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -3.921 -44.231 -16.209 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -4.217 -45.297 -15.138 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -7.997 -30.621 -14.779 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -7.395 -31.258 -14.366 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -7.622 -29.749 -14.542 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -2.565 -45.785 -14.049 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -2.353 -46.716 -13.863 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -1.775 -45.455 -14.527 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.795 -32.447 -16.955 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -7.836 -31.612 -16.450 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -8.391 -33.046 -16.469 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -5.392 -32.816 -18.437 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -6.244 -32.607 -18.003 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -4.838 -32.020 -18.272 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -8.574 -38.852 -0.742 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -7.675 -38.498 -0.922 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -8.967 -38.202 -0.118 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -3.903 -37.307 -0.427 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -4.762 -37.402 -0.878 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -3.886 -38.066 0.209 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -9.179 -38.549 -3.400 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -8.889 -38.642 -2.471 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -10.130 -38.763 -3.372 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -4.773 -41.613 -5.703 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -4.573 -40.996 -6.433 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -3.902 -41.853 -5.352 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -11.698 -37.456 -5.587 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -11.221 -37.735 -6.399 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -12.633 -37.349 -5.886 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -11.844 -39.270 -3.411 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -11.688 -40.012 -4.022 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -12.063 -38.523 -4.002 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -13.021 -47.629 -1.870 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -13.944 -47.501 -1.630 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -12.799 -48.512 -1.499 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -4.176 -39.539 1.006 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -4.694 -39.937 1.744 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -4.179 -40.233 0.317 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -10.453 -38.450 -7.852 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -10.733 -38.050 -8.695 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -10.274 -39.377 -8.082 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -10.451 -40.779 -9.731 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -10.664 -39.921 -10.140 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -10.470 -41.413 -10.480 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -5.678 -37.888 -8.680 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -5.549 -38.176 -9.607 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -5.208 -38.567 -8.156 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -6.106 -32.635 -3.822 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -5.565 -33.104 -4.481 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -6.239 -33.299 -3.107 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -1.345 -43.886 -9.186 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -1.035 -44.742 -8.853 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -1.890 -44.114 -9.969 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -8.911 -34.766 2.396 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.124 -34.696 3.353 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -8.668 -33.861 2.143 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -13.318 -40.134 -11.170 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -13.431 -40.828 -10.511 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -13.303 -40.616 -12.024 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -6.087 -27.970 -9.397 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -6.115 -27.194 -9.987 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -6.833 -27.832 -8.791 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -12.458 -45.099 1.067 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -11.903 -45.377 0.313 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -12.448 -44.119 1.024 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -10.778 -40.558 -5.708 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -10.415 -39.692 -5.950 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -10.076 -40.968 -5.155 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -11.060 -45.689 -3.820 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -11.789 -46.323 -3.757 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -11.389 -45.008 -4.451 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -4.243 -31.324 4.174 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -4.795 -30.551 3.932 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -4.368 -31.413 5.148 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -7.278 -40.561 -5.796 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -7.888 -41.036 -5.200 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -6.506 -41.155 -5.871 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -9.016 -41.915 -4.147 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -9.258 -42.849 -4.201 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -9.207 -41.670 -3.208 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -13.945 -37.981 -9.276 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -13.044 -37.751 -9.553 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -14.219 -38.660 -9.910 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -11.647 -44.340 -9.551 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -11.794 -45.205 -9.154 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -11.542 -43.737 -8.785 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -9.775 -36.907 0.795 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -10.385 -37.450 1.331 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.523 -36.168 1.391 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -3.867 -39.668 -7.527 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -3.210 -40.365 -7.764 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -3.334 -38.984 -7.078 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -8.218 -36.517 -10.024 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -7.381 -36.533 -10.535 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -8.875 -36.875 -10.637 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -11.974 -42.360 1.006 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -12.045 -41.622 0.363 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -11.052 -42.309 1.329 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -6.217 -35.249 2.609 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -6.208 -34.884 3.518 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -7.168 -35.314 2.390 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -14.220 -37.270 -6.636 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -15.140 -37.013 -6.536 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -14.149 -37.549 -7.577 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -4.722 -34.833 0.414 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -4.340 -35.690 0.127 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -5.405 -35.084 1.080 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -7.584 -45.169 -8.702 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -7.124 -44.548 -9.295 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -8.400 -45.375 -9.165 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -10.513 -35.781 -3.734 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.230 -35.141 -3.738 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -10.820 -36.487 -4.344 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -11.398 -42.334 -7.679 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -11.030 -41.843 -8.446 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.244 -41.730 -6.918 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -12.293 -43.884 -5.510 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -13.132 -43.433 -5.368 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -11.927 -43.462 -6.312 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -11.389 -38.260 -10.588 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -12.113 -38.810 -10.963 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -10.856 -37.998 -11.374 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -6.462 -33.969 5.072 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -7.438 -34.030 4.997 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -6.298 -34.001 6.041 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -11.665 -38.720 2.183 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -12.326 -38.229 2.683 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -11.662 -39.605 2.601 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -9.725 -37.840 -12.717 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -10.141 -37.773 -13.599 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -9.086 -38.575 -12.817 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -6.301 -39.296 5.778 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -6.955 -39.944 6.122 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -6.780 -38.461 5.771 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -11.872 -40.120 -0.595 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -12.056 -39.678 -1.449 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -11.815 -39.391 0.045 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -11.958 -47.852 4.651 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -12.414 -47.442 3.879 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -11.079 -48.110 4.306 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -13.675 -46.923 2.669 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -14.503 -47.087 2.162 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -13.218 -46.215 2.153 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -9.564 -41.224 -1.594 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -10.492 -41.123 -1.312 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -9.110 -40.451 -1.189 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -12.212 -43.389 5.251 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -12.941 -43.864 5.704 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -11.439 -43.959 5.386 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -13.806 -49.611 5.531 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -13.129 -48.947 5.279 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -13.386 -50.104 6.274 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -15.081 -47.115 5.032 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -14.866 -48.028 5.303 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -14.640 -47.015 4.159 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -6.738 -43.147 -10.588 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -6.763 -42.392 -9.987 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -5.978 -42.956 -11.184 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -6.309 -42.790 -14.733 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -7.134 -43.091 -14.308 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -5.920 -43.603 -15.117 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -1.910 -41.519 -7.750 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -1.662 -41.665 -6.826 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -1.776 -42.392 -8.176 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -0.747 -47.121 -4.975 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -0.429 -46.959 -5.886 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -1.061 -48.047 -4.993 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -2.644 -43.989 -11.756 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -3.449 -43.455 -11.931 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -2.615 -44.625 -12.499 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -9.175 -34.279 5.059 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -9.199 -34.987 5.752 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -9.714 -33.571 5.429 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -6.188 -34.689 -2.078 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -7.046 -35.128 -1.865 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -5.743 -34.606 -1.215 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -5.284 -30.112 -1.466 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -5.772 -30.769 -0.950 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -5.770 -30.076 -2.328 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -2.552 -30.161 -1.209 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -3.516 -30.297 -1.328 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -2.496 -29.368 -0.634 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -10.968 -46.083 -1.058 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.725 -45.724 -1.932 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -11.745 -46.659 -1.248 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -7.868 -46.822 -6.498 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.564 -46.134 -7.123 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -8.410 -47.423 -7.054 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -5.491 -30.642 -9.496 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -5.720 -29.689 -9.393 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -5.583 -30.803 -10.457 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -17.152 -45.853 6.296 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -17.767 -45.575 5.615 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -16.467 -46.359 5.810 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -8.287 -37.530 10.996 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -8.569 -37.077 11.801 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -8.500 -38.471 11.161 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -12.947 -40.225 16.666 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -13.506 -39.657 17.217 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -12.148 -40.381 17.220 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -8.281 -36.852 15.134 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -8.655 -36.396 15.912 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -8.294 -36.175 14.433 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -12.645 -39.411 14.020 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -12.751 -39.864 14.883 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -12.194 -40.066 13.459 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -10.803 -40.751 18.236 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -10.250 -41.523 18.487 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -10.210 -39.981 18.363 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -11.818 -42.303 15.073 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -12.329 -41.836 15.759 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -11.133 -42.798 15.577 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.079 -36.445 8.790 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -7.557 -36.771 9.590 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -6.158 -36.771 8.917 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -4.380 -45.664 16.680 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -4.306 -45.076 15.916 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -3.576 -46.217 16.634 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -7.058 -46.943 19.273 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -7.057 -45.971 19.378 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -7.139 -47.279 20.174 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -6.692 -34.002 11.698 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -7.439 -34.454 12.144 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -5.946 -34.141 12.289 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -8.082 -41.093 6.844 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -8.699 -41.160 7.598 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -8.671 -41.062 6.054 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -13.481 -36.941 14.690 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -14.372 -36.900 14.327 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -13.150 -37.833 14.416 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -12.382 -36.311 17.156 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -12.845 -36.845 17.837 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -12.861 -36.517 16.326 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -8.897 -34.933 13.083 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -9.135 -34.007 12.840 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.704 -35.270 13.537 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -7.198 -28.111 22.518 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -7.329 -28.873 23.101 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -6.216 -28.087 22.372 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -9.450 -30.384 10.699 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -9.357 -29.494 11.118 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -10.108 -30.251 10.008 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -9.201 -36.048 7.104 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -8.377 -36.164 7.631 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -9.874 -36.502 7.619 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.346 -32.122 9.805 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.083 -31.571 10.132 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -7.224 -32.803 10.509 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -9.888 -41.227 21.998 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.361 -41.026 22.839 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -9.831 -40.356 21.544 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -6.815 -41.550 14.861 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -7.366 -40.839 15.249 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -6.810 -42.250 15.546 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -12.756 -41.334 20.120 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -12.167 -41.025 19.405 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -12.450 -42.238 20.305 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.797 -41.584 12.109 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -7.574 -41.029 11.887 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.740 -41.532 13.093 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -12.110 -46.956 7.249 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -11.947 -47.308 6.347 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.717 -46.196 7.100 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -7.048 -43.526 16.779 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -7.067 -44.472 16.516 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -6.942 -43.555 17.749 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -14.004 -45.104 6.572 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -14.405 -45.701 5.905 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -14.603 -45.174 7.339 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.787 -43.542 16.416 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -8.834 -43.346 16.334 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -9.953 -43.497 17.382 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -9.036 -40.245 11.215 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -9.282 -40.601 10.334 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -9.753 -40.561 11.808 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -9.012 -38.603 18.172 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -8.702 -38.994 17.328 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -9.198 -37.665 17.946 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -4.685 -40.953 7.251 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -3.760 -40.694 7.082 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -5.208 -40.313 6.724 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -12.130 -37.702 21.251 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -11.213 -38.025 21.098 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -12.549 -38.419 21.785 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -9.392 -33.810 20.584 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -8.841 -34.125 21.334 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -10.276 -33.678 20.979 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -8.497 -39.504 15.647 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -9.366 -39.642 15.253 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -8.254 -38.584 15.376 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -6.369 -33.895 7.835 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -6.800 -33.297 8.483 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -6.566 -34.796 8.176 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -4.657 -37.518 9.519 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -3.687 -37.635 9.515 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -4.975 -38.201 10.119 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -8.683 -45.229 14.451 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -9.287 -44.721 15.023 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -8.186 -45.796 15.074 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -5.406 -43.976 12.509 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -5.644 -43.033 12.437 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -6.236 -44.410 12.757 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -13.136 -39.914 22.408 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -13.107 -40.488 21.612 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -12.628 -40.406 23.078 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -10.856 -49.349 9.968 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -11.764 -49.018 10.113 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -10.576 -49.686 10.855 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -10.091 -46.771 9.090 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -10.799 -46.802 8.412 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -10.114 -47.659 9.495 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -8.277 -34.499 23.025 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.098 -34.426 23.550 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -7.614 -34.796 23.668 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -4.638 -31.653 9.738 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -5.605 -31.497 9.689 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -4.565 -32.541 10.113 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -13.634 -37.991 18.980 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -13.032 -37.807 19.738 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -14.407 -38.392 19.388 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.664 -40.915 4.609 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -10.632 -40.838 4.525 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.392 -41.333 3.776 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -9.907 -41.515 8.908 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -9.710 -42.482 8.827 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -10.828 -41.441 8.632 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -12.184 -41.208 3.528 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -12.347 -41.659 2.677 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -12.309 -41.919 4.200 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -9.650 -38.767 20.827 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -8.919 -38.598 21.467 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -9.241 -38.617 19.947 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -11.242 -43.453 21.158 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -10.796 -42.672 21.561 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -11.507 -43.989 21.914 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.554 -43.075 19.065 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -10.157 -43.331 19.798 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -8.688 -43.442 19.330 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -7.702 -42.860 21.739 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -7.584 -43.152 22.674 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -8.455 -42.235 21.781 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -1.874 -45.028 20.473 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -1.943 -44.794 21.422 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -1.184 -44.418 20.128 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -1.806 -28.935 13.119 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -1.528 -28.666 14.000 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -0.993 -29.297 12.708 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -10.695 -29.760 22.663 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -11.309 -30.023 21.944 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -10.227 -28.997 22.304 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -2.740 -47.518 19.514 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -1.913 -47.874 19.140 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -2.453 -46.731 20.021 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -11.466 -30.093 18.323 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -10.678 -30.674 18.482 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -11.410 -29.871 17.382 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -11.095 -35.552 14.530 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -11.939 -36.015 14.360 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -11.090 -35.423 15.489 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -7.096 -46.233 16.565 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -7.347 -46.701 17.385 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -6.117 -46.259 16.568 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -11.067 -41.433 12.660 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -11.262 -41.755 13.574 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -11.197 -42.211 12.106 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -3.264 -49.510 14.677 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -3.290 -49.930 13.801 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -3.955 -49.967 15.179 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -15.684 -46.431 8.542 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -16.373 -46.084 7.939 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -15.917 -47.377 8.647 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -9.667 -44.143 8.341 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -9.756 -44.339 7.390 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -9.767 -45.017 8.774 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 0.240 -30.033 11.616 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 0.624 -29.682 10.791 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -0.536 -30.552 11.314 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -7.351 -35.046 25.655 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -7.710 -34.187 25.910 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -7.987 -35.689 26.031 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -11.792 -38.956 26.043 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -10.973 -39.070 26.564 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -12.127 -38.082 26.316 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -9.335 -41.757 26.148 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -8.611 -42.189 26.653 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -9.513 -40.933 26.648 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -9.498 -39.319 27.530 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -8.521 -39.337 27.385 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.617 -38.676 28.237 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -6.806 -39.179 27.556 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -6.814 -38.575 28.327 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -5.865 -39.208 27.291 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -3.243 -46.638 26.297 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -3.516 -46.727 25.353 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -2.881 -45.744 26.349 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -5.169 -29.567 24.410 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -4.853 -29.184 23.557 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -4.423 -29.426 25.024 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -11.281 -40.952 24.298 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -11.600 -40.184 24.832 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -10.668 -41.417 24.902 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -6.682 -37.393 29.645 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -5.921 -37.485 30.227 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -6.689 -36.460 29.408 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.463 -36.496 27.141 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -13.099 -36.490 27.862 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -12.910 -35.988 26.420 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -7.839 -43.289 24.393 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -7.184 -43.493 25.077 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -8.557 -42.843 24.880 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -7.147 -43.062 27.214 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -7.170 -43.745 27.889 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -6.272 -42.633 27.337 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -9.832 -35.708 26.790 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -10.079 -35.186 25.998 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -10.676 -36.099 27.086 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -0.616 -42.818 28.764 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 0.157 -42.643 28.194 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -0.686 -43.790 28.776 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -4.727 -34.236 25.483 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -5.610 -34.630 25.631 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -4.470 -34.558 24.599 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -4.105 -38.851 27.274 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -3.649 -37.979 27.369 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -3.524 -39.478 27.752 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -11.817 -33.088 21.753 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -11.733 -32.723 22.659 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -12.082 -32.318 21.213 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -10.563 -34.320 24.548 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -11.181 -34.852 24.003 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -10.958 -33.423 24.551 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -11.658 -31.815 24.194 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -11.183 -31.064 23.765 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -12.252 -31.389 24.821 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -5.112 -29.944 27.977 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -6.032 -30.222 28.033 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -4.620 -30.785 27.813 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -13.810 -35.262 25.146 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -14.712 -35.123 24.848 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -13.301 -35.402 24.314 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -12.446 -35.491 22.821 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -12.351 -36.291 22.253 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -12.295 -34.741 22.206 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -2.615 -36.601 27.355 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -2.709 -35.636 27.344 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -1.645 -36.749 27.428 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -2.254 -40.797 27.944 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -1.791 -41.485 28.478 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -1.602 -40.557 27.256 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -2.836 -39.637 24.997 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -1.953 -39.854 25.361 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -3.306 -39.208 25.746 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -4.688 -41.651 24.963 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -3.963 -40.999 24.942 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -4.636 -42.038 25.859 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -6.951 -44.145 19.531 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -5.971 -44.286 19.529 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -7.128 -43.710 20.404 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -4.464 -42.439 27.578 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -4.166 -43.299 27.955 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -3.747 -41.815 27.814 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -3.370 -46.135 23.649 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -2.456 -46.452 23.474 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -3.349 -45.202 23.378 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -6.383 -27.455 28.433 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -6.478 -27.362 27.462 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -5.872 -28.280 28.542 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 0.674 -27.525 -20.314 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 0.530 -26.980 -21.110 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 1.168 -26.930 -19.707 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -2.648 -20.873 -18.098 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -2.295 -19.987 -18.229 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -3.407 -20.744 -17.520 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 0.796 -22.088 -12.478 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -0.107 -21.983 -12.850 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 0.818 -21.452 -11.728 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -6.782 -28.507 -13.400 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -6.515 -29.217 -12.784 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -5.932 -28.118 -13.695 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -4.002 -26.026 -11.696 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -4.095 -26.569 -12.505 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -4.925 -25.917 -11.375 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -4.186 -20.630 -13.294 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -4.325 -20.803 -12.341 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -4.096 -19.653 -13.344 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -9.997 -30.088 -12.816 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -10.841 -30.435 -13.118 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -9.381 -30.282 -13.548 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -3.709 -18.025 -12.540 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -4.026 -17.224 -12.114 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -3.059 -18.393 -11.909 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -1.850 -22.186 -13.217 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -2.558 -21.563 -13.482 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -2.235 -22.677 -12.460 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -1.006 -23.108 -17.981 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -1.598 -22.329 -18.033 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -1.079 -23.525 -18.862 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -0.936 -31.237 -14.545 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -0.282 -31.818 -14.105 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -0.454 -30.871 -15.309 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -3.548 -30.479 -14.809 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -2.609 -30.771 -14.685 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -4.073 -31.290 -14.642 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -2.713 -26.264 -19.431 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -3.572 -25.835 -19.438 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -2.103 -25.583 -19.780 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.137 -24.235 -20.518 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -1.373 -23.509 -21.106 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -0.395 -24.686 -20.982 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -5.325 -30.697 -12.301 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -4.582 -30.181 -12.646 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -5.336 -31.502 -12.860 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -7.864 -25.731 -4.037 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -8.459 -25.358 -4.723 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -7.521 -26.554 -4.448 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -8.840 -22.807 -3.186 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -9.164 -23.141 -2.325 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -9.436 -23.199 -3.831 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -2.871 -22.494 -4.623 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -3.204 -22.018 -3.833 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -1.913 -22.298 -4.633 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -9.240 -20.782 -7.497 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -10.034 -20.631 -8.063 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -9.540 -20.554 -6.608 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -4.234 -18.591 -7.346 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -4.508 -17.727 -6.955 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.066 -19.102 -7.388 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -8.637 -35.812 -1.614 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -9.318 -35.795 -2.318 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -9.114 -36.142 -0.828 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -5.292 -16.471 -6.096 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -5.044 -15.774 -5.462 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -6.144 -16.808 -5.760 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -8.803 -24.948 -6.523 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -8.771 -25.777 -7.042 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -8.673 -24.244 -7.195 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -5.358 -20.102 -3.798 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.247 -19.167 -4.025 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -4.538 -20.332 -3.316 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -8.081 -23.120 -8.532 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -7.682 -22.942 -9.404 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -8.490 -22.267 -8.275 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -6.562 -25.634 -10.860 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.611 -24.653 -10.859 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -7.360 -25.914 -11.360 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.335 -21.250 -2.235 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -2.517 -21.190 -1.694 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -4.050 -21.367 -1.572 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -7.403 -17.856 -4.845 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -7.367 -17.112 -4.197 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -7.883 -18.567 -4.365 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -6.359 -22.850 -10.965 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -5.700 -22.175 -10.707 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -6.314 -22.859 -11.950 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -2.011 -19.316 -10.733 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -1.957 -18.822 -9.883 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -1.090 -19.591 -10.906 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -5.673 -23.666 3.192 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -5.726 -23.680 2.219 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -5.174 -22.847 3.394 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -5.428 -23.943 0.396 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -5.423 -23.020 0.057 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -6.044 -24.414 -0.204 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -5.757 -22.847 -13.683 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.251 -22.005 -13.715 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -5.501 -23.307 -14.488 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -11.546 -20.427 -8.936 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -11.511 -20.496 -9.897 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -12.470 -20.228 -8.745 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -7.381 -25.126 -1.309 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -7.591 -25.310 -2.246 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -8.193 -24.709 -0.964 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -8.441 -27.206 -8.054 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -8.729 -26.942 -8.942 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -9.006 -27.982 -7.842 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -5.154 -25.507 -3.623 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -5.025 -26.158 -2.905 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -6.116 -25.364 -3.636 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -6.507 -27.122 -5.991 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -5.984 -27.955 -5.984 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -7.165 -27.264 -6.701 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -8.582 -26.746 -12.308 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -8.007 -27.419 -12.743 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -9.076 -26.353 -13.036 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -0.307 -18.053 5.457 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -1.017 -17.488 5.833 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 0.498 -17.789 5.957 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -2.020 -15.897 -4.544 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -1.819 -16.839 -4.540 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -1.152 -15.468 -4.712 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -8.116 -20.189 -3.581 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -7.142 -20.262 -3.555 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -8.429 -21.102 -3.411 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -6.736 -19.623 -6.831 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -7.025 -18.904 -6.224 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -7.564 -19.933 -7.244 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -1.785 -18.098 -8.310 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -1.629 -17.182 -8.052 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -2.689 -18.299 -7.959 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -5.267 -27.290 -1.573 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -6.183 -27.051 -1.361 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -5.249 -28.271 -1.494 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -9.678 -28.546 -10.561 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -9.346 -27.768 -11.053 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -9.824 -29.221 -11.261 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -10.139 -29.353 -7.992 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -9.941 -29.174 -8.945 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -11.048 -29.673 -7.999 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -9.899 -23.877 -0.844 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -10.069 -23.218 -0.158 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -10.680 -24.447 -0.826 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -8.686 -29.453 -5.608 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -9.105 -29.582 -6.481 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -9.414 -29.207 -5.033 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -2.703 -27.819 0.288 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -2.052 -27.293 0.773 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -3.515 -27.767 0.842 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.438 -14.792 -4.026 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -4.243 -13.854 -4.123 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -3.561 -15.234 -4.146 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -5.335 -21.316 -0.361 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -4.897 -20.700 0.272 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -6.105 -20.824 -0.676 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -4.045 -21.225 -10.602 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -3.520 -22.045 -10.727 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -3.370 -20.515 -10.531 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -3.977 -21.468 3.272 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -4.179 -20.755 2.635 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -3.320 -21.066 3.880 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -7.027 -32.075 3.031 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -6.764 -31.142 3.123 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -6.639 -32.510 3.808 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -6.017 -29.376 3.389 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -6.515 -28.721 3.896 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -5.641 -28.863 2.646 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -6.880 -15.827 -3.142 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -7.297 -15.157 -2.592 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -6.006 -15.447 -3.365 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -1.782 -20.385 4.650 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -1.361 -19.539 4.908 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -1.268 -21.064 5.139 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -2.870 -23.454 1.587 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -3.121 -22.781 2.247 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -3.722 -23.776 1.240 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -1.577 -27.011 -10.766 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -1.377 -26.279 -10.156 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -2.425 -26.744 -11.185 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -4.989 -27.309 1.704 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -5.217 -26.882 2.562 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -5.456 -26.779 1.048 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -0.950 -32.642 1.675 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -0.690 -31.785 1.285 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -0.164 -33.203 1.555 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -6.695 -29.983 -3.748 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -7.324 -29.737 -4.458 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -6.579 -30.953 -3.856 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -4.657 -31.804 6.902 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -5.257 -32.557 7.061 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -4.435 -31.490 7.796 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -6.254 -21.898 20.375 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -6.881 -21.226 20.709 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -6.821 -22.672 20.172 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -1.397 -19.934 16.700 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -1.953 -19.223 16.360 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -1.460 -20.637 16.013 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -4.806 -26.927 14.028 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -4.516 -27.263 13.155 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -3.998 -26.518 14.403 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -4.905 -17.543 23.619 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -4.489 -18.391 23.322 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -4.236 -17.151 24.208 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -9.790 -32.409 12.544 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -10.523 -32.060 13.060 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -9.584 -31.696 11.906 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -1.958 -14.407 17.818 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -1.399 -15.195 17.656 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -1.854 -13.872 17.005 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -6.649 -20.231 26.134 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -6.527 -21.181 25.912 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -6.923 -19.820 25.276 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -0.040 -16.359 17.597 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 0.713 -15.746 17.764 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 0.392 -17.232 17.442 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.864 -27.803 16.473 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -6.763 -28.074 16.246 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -5.430 -27.661 15.609 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -4.161 -23.086 13.352 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -3.931 -23.773 12.685 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -4.609 -22.404 12.838 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -11.523 -22.370 19.020 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -12.461 -22.164 19.039 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -11.086 -21.513 19.225 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -7.485 -26.632 13.296 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -7.814 -26.124 14.043 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -6.526 -26.724 13.473 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -8.935 -28.948 16.813 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -8.679 -28.072 17.175 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -8.501 -29.585 17.402 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -8.212 -26.428 17.655 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -8.173 -26.587 18.621 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -8.825 -25.668 17.568 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -11.299 -28.254 15.631 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -10.421 -28.565 15.950 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -11.206 -28.225 14.673 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -3.497 -19.779 23.117 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -2.567 -19.537 23.304 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -3.433 -20.565 22.542 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -10.527 -19.878 19.509 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -11.157 -19.182 19.814 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -9.894 -19.398 18.963 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -17.653 -21.847 13.634 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -18.491 -21.449 13.872 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -17.643 -21.831 12.677 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -8.753 -17.425 21.552 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -9.620 -17.031 21.756 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -8.114 -16.837 21.989 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -3.701 -21.848 21.279 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -4.621 -21.859 20.911 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -3.183 -21.349 20.610 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -12.146 -17.810 20.249 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -11.754 -17.284 20.979 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -12.869 -17.265 19.927 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -7.943 -24.027 19.880 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -7.904 -24.911 20.275 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -8.704 -24.073 19.270 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -9.445 -27.844 11.744 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -9.921 -27.034 11.539 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -8.670 -27.540 12.270 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -4.318 -23.910 15.935 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -4.912 -23.293 16.382 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -4.362 -23.642 14.986 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -9.397 -14.459 23.097 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -9.392 -14.068 23.989 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -8.489 -14.813 22.988 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -8.265 -20.121 21.263 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.058 -20.451 20.807 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -8.413 -19.150 21.325 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -2.652 -24.377 25.338 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -3.235 -24.061 24.611 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -2.854 -25.317 25.411 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -11.967 -26.513 17.668 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -11.739 -27.137 16.940 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -12.885 -26.276 17.496 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -10.102 -24.516 18.169 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -10.820 -25.167 18.027 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -10.575 -23.699 18.459 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -8.770 -23.534 24.615 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -9.314 -23.262 23.868 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -8.530 -24.473 24.412 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -4.403 -23.447 23.474 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -4.184 -22.855 22.722 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -4.524 -24.338 23.054 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -12.523 -30.615 20.772 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -13.448 -30.350 20.737 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -12.195 -30.471 19.854 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -10.711 -27.876 19.776 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -11.208 -27.253 19.211 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -10.905 -28.752 19.388 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -8.232 -26.906 20.308 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -9.167 -27.211 20.205 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.923 -27.360 21.126 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -6.010 -27.322 25.734 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -5.087 -27.067 25.884 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -5.944 -28.171 25.247 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -0.707 -22.395 12.220 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -0.930 -22.606 11.286 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -0.187 -21.572 12.158 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -1.930 -21.640 14.572 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -2.773 -22.090 14.407 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -1.371 -21.900 13.808 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -2.035 -20.486 19.433 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -1.902 -20.302 18.485 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -1.148 -20.390 19.818 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -2.771 -22.985 7.243 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -3.437 -22.456 6.786 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -3.296 -23.670 7.721 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -4.335 -24.661 8.701 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -5.091 -25.254 8.715 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -4.034 -24.634 9.634 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -2.455 -25.639 14.866 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -1.828 -25.091 14.380 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -3.006 -24.998 15.357 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -5.981 -26.216 3.994 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -6.123 -26.164 4.942 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -5.917 -25.271 3.709 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -3.439 -24.862 11.337 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -3.499 -25.837 11.468 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -2.491 -24.696 11.213 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -3.614 -27.620 11.621 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -2.944 -28.110 12.162 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -3.908 -28.268 10.970 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -1.098 -13.196 15.502 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -1.391 -12.643 14.739 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -0.758 -13.998 15.091 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -11.217 -16.238 22.274 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -10.640 -15.453 22.443 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -11.755 -16.308 23.070 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -5.736 -11.050 19.658 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -4.923 -11.543 19.397 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -6.422 -11.723 19.679 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -6.921 -15.622 23.207 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -6.552 -14.838 23.663 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -6.209 -16.296 23.277 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -9.308 -31.491 19.085 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -9.310 -32.344 19.577 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -8.376 -31.191 19.134 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -9.716 -35.999 17.556 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -10.697 -36.076 17.482 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -9.583 -35.330 18.248 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -2.042 -31.263 10.669 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -2.082 -32.094 11.178 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -2.950 -31.159 10.319 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -7.839 -26.003 24.191 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -7.191 -26.299 24.865 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -7.726 -26.641 23.463 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -7.979 -19.703 28.417 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -7.495 -19.760 27.560 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -7.588 -20.421 28.953 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -9.183 -17.191 28.144 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -9.691 -16.917 28.935 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -8.802 -18.061 28.392 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -7.605 -16.115 26.225 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -8.177 -16.507 26.929 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -7.700 -16.722 25.476 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -10.216 -21.126 27.674 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -10.863 -20.489 27.364 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -9.469 -20.577 27.987 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -8.733 -23.423 27.424 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -9.418 -22.732 27.570 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -8.718 -23.539 26.451 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -4.924 -16.191 27.008 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -5.872 -16.154 26.760 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -4.683 -15.255 27.165 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -5.156 -23.871 27.553 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -5.472 -23.261 28.240 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -5.617 -23.572 26.738 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -3.365 -28.507 26.260 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -3.834 -28.943 27.000 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -2.512 -28.223 26.649 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -3.034 -14.037 24.555 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -3.275 -13.258 24.033 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -3.398 -13.850 25.444 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -1.652 -9.776 29.116 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -1.038 -9.712 28.352 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -1.108 -9.495 29.877 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -7.089 -23.856 31.372 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -7.437 -24.499 30.703 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -7.639 -24.004 32.147 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -6.243 -22.791 25.344 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -5.618 -22.974 24.604 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -7.122 -23.039 24.984 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -6.873 -22.172 29.152 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -6.940 -22.657 30.002 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -7.500 -22.643 28.558 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -10.536 -16.518 30.526 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -10.080 -16.866 31.300 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -11.338 -16.119 30.880 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -9.184 -13.843 25.819 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -9.854 -14.096 26.466 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -8.491 -14.536 25.908 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -8.279 -11.367 25.122 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -8.849 -10.742 25.584 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -8.662 -12.247 25.341 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -4.437 -13.428 26.858 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -4.266 -12.677 27.468 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -5.226 -13.157 26.357 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -7.210 -19.168 23.764 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -6.412 -18.656 23.534 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.466 -19.603 22.928 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -4.442 -18.989 27.137 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -5.268 -19.363 26.763 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -4.638 -18.038 27.241 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -4.170 -21.284 29.527 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -5.130 -21.248 29.384 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -4.027 -22.160 29.954 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -4.393 -23.738 30.646 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -4.175 -24.596 30.236 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -5.274 -23.879 31.044 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -7.996 -25.338 29.357 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -8.344 -24.861 28.577 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -7.555 -26.126 28.983 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -4.093 -25.943 28.901 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -4.904 -26.482 28.900 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -4.320 -25.172 28.334 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -3.917 -11.298 28.580 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -4.340 -11.294 29.447 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -3.054 -10.852 28.732 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -5.686 -8.435 20.329 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -5.727 -9.398 20.103 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -6.238 -8.014 19.662 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -3.730 -5.828 24.029 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -4.337 -6.524 23.670 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -4.207 -5.004 23.884 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -2.981 -8.377 21.144 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -3.005 -8.890 21.967 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -3.906 -8.391 20.825 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -5.443 -7.625 22.955 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -5.636 -7.800 22.011 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -5.752 -8.434 23.413 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -4.029 -11.573 23.378 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -3.273 -10.959 23.540 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -4.821 -10.994 23.455 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -2.078 -9.724 23.684 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -1.446 -10.178 24.281 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -1.799 -8.787 23.711 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -6.096 -9.993 24.214 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -5.729 -9.818 25.115 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -6.981 -10.375 24.390 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -2.287 -12.773 21.571 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -1.457 -12.492 22.019 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -2.996 -12.321 22.076 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -1.673 -11.863 13.201 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -1.030 -11.318 12.733 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -2.528 -11.508 12.930 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -1.102 -5.509 9.227 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -0.471 -4.790 9.279 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -1.708 -5.247 8.533 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -6.167 -13.143 24.485 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -6.845 -12.448 24.597 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -5.431 -12.689 24.035 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -5.174 -9.671 26.750 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -4.853 -8.829 27.123 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -4.768 -10.350 27.321 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -2.152 -6.494 26.248 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -1.536 -6.796 25.558 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -2.892 -6.101 25.744 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -3.523 -7.918 28.195 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -3.038 -7.439 27.492 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -2.870 -8.549 28.549 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 7.068 -49.782 -21.042 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 7.940 -49.766 -20.628 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 6.453 -49.963 -20.293 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 2.761 -49.378 -11.418 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 2.360 -48.521 -11.711 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 1.995 -49.900 -11.095 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 15.115 -45.093 -15.638 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 15.896 -44.925 -16.206 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 14.906 -44.212 -15.252 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 6.258 -50.308 -15.432 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 5.503 -50.260 -14.809 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 6.994 -50.655 -14.886 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 11.924 -50.631 -16.029 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 12.513 -49.846 -16.048 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 11.032 -50.262 -16.194 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -2.224 -48.364 -16.361 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -1.768 -48.315 -15.497 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -2.777 -49.143 -16.293 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -0.499 -48.211 -10.926 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -1.198 -48.052 -11.569 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 0.284 -47.742 -11.302 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 4.166 -50.325 -13.565 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 3.738 -49.959 -12.759 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 3.462 -50.279 -14.247 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 10.461 -52.255 -11.882 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 10.872 -52.838 -11.208 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 11.016 -52.389 -12.687 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 13.287 -48.277 -15.998 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 14.147 -48.152 -15.542 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 13.287 -47.598 -16.704 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 0.011 -50.733 -13.210 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 0.191 -50.731 -12.240 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -0.144 -51.661 -13.417 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -0.984 -48.212 -13.859 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -0.129 -47.732 -13.979 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -0.712 -49.110 -13.572 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 7.535 -48.370 -13.074 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 8.137 -47.921 -13.710 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 7.631 -49.320 -13.293 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 9.187 -47.121 -14.787 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 8.959 -46.463 -15.479 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 10.116 -46.902 -14.542 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -0.202 -45.223 -15.324 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 0.228 -44.344 -15.215 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 0.486 -45.866 -15.024 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 1.865 -49.839 -15.061 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 1.829 -48.860 -15.027 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 1.188 -50.124 -14.417 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 3.337 -51.206 -19.544 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 2.665 -50.646 -19.096 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 2.820 -51.879 -19.995 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 6.099 -51.487 -11.798 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 5.459 -51.957 -11.253 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 5.574 -51.155 -12.553 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 9.454 -49.463 -16.156 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 9.508 -48.623 -15.654 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 8.745 -49.303 -16.805 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 1.410 -49.839 -18.159 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 1.421 -50.302 -17.307 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 1.505 -48.885 -17.908 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 5.714 -50.238 -18.713 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 4.856 -50.579 -19.066 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 5.747 -50.580 -17.805 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 11.810 -52.583 -14.190 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 12.280 -53.294 -14.630 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 11.842 -51.837 -14.837 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 9.309 -55.370 -6.873 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 8.788 -55.123 -6.074 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 8.987 -56.269 -7.090 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 2.709 -55.358 0.911 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 3.291 -55.831 0.292 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 2.432 -54.569 0.412 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -4.243 -60.390 -5.029 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -4.196 -59.613 -5.588 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -4.538 -61.091 -5.614 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 8.763 -59.675 -2.751 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 9.645 -59.595 -2.379 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 8.181 -59.266 -2.079 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 5.085 -56.411 -3.839 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 5.179 -57.342 -3.553 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 4.245 -56.400 -4.353 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 17.799 -63.838 1.896 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 18.400 -64.541 1.634 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 17.920 -63.149 1.210 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 4.343 -55.640 -1.322 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 3.681 -54.914 -1.430 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 4.676 -55.797 -2.231 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 3.129 -48.614 -4.258 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 3.352 -49.511 -4.582 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 2.272 -48.428 -4.651 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 7.369 -55.427 -5.012 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 7.275 -56.167 -5.638 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 6.632 -55.557 -4.381 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 13.015 -57.485 -7.560 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 13.323 -56.886 -6.856 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 12.864 -58.333 -7.102 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 7.577 -57.555 -6.912 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 7.461 -58.200 -6.171 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 7.180 -57.994 -7.669 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 2.640 -56.329 -5.102 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 2.004 -56.991 -5.382 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 2.086 -55.561 -4.838 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 13.121 -56.010 -9.856 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 12.981 -56.566 -9.054 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 13.935 -56.350 -10.236 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 3.559 -55.645 3.528 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 2.973 -54.962 3.933 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 3.223 -55.726 2.606 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 3.406 -51.116 -5.326 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 3.930 -51.737 -5.845 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 3.182 -51.621 -4.499 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 13.431 -51.905 -8.907 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 13.606 -51.203 -9.576 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 12.925 -52.582 -9.397 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -1.655 -54.914 0.611 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -1.219 -54.821 1.490 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -0.952 -54.683 -0.032 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 10.875 -59.543 1.154 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 10.215 -58.838 0.928 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 11.421 -59.616 0.354 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 9.828 -59.900 5.999 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 10.161 -60.299 5.167 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 9.344 -60.635 6.444 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 8.407 -57.055 2.996 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 8.700 -57.232 2.069 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 7.583 -56.532 2.889 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 7.107 -59.285 -4.900 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 7.849 -59.524 -4.302 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 6.334 -59.243 -4.306 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 11.565 -65.985 1.637 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 11.996 -65.922 0.781 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 10.884 -66.650 1.513 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 5.382 -58.927 -2.741 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 6.093 -58.703 -2.095 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 4.686 -59.311 -2.199 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 5.812 -56.646 0.710 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 5.364 -56.130 0.006 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 5.945 -56.004 1.433 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 5.689 -52.030 -8.756 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 4.857 -52.535 -8.592 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 6.397 -52.718 -8.724 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 11.799 -54.250 -6.954 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 10.937 -54.728 -6.898 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 12.435 -54.855 -6.519 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 4.016 -58.400 6.441 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 4.726 -58.826 5.943 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 3.718 -59.091 7.073 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 8.734 -55.600 5.490 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 8.972 -55.787 4.567 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 8.257 -56.400 5.775 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 9.518 -51.029 -7.835 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 9.340 -51.256 -8.769 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 8.673 -50.649 -7.522 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 7.832 -53.781 -8.645 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 8.327 -54.271 -7.959 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 8.351 -53.909 -9.446 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 8.525 -50.839 -13.906 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 9.092 -51.425 -13.376 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 9.096 -50.564 -14.653 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 13.201 -47.577 -11.802 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 13.491 -46.650 -11.647 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 12.588 -47.510 -12.564 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 15.323 -50.825 -7.173 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 16.024 -51.491 -6.981 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 14.737 -51.276 -7.813 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 6.991 -49.960 -7.569 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 6.281 -49.627 -7.006 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 6.587 -50.731 -8.032 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 4.941 -49.415 -9.737 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 4.955 -50.350 -9.460 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 4.141 -49.344 -10.303 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 3.279 -53.245 -8.299 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 3.147 -54.058 -7.798 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 2.373 -52.884 -8.415 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 8.283 -61.891 7.137 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 7.430 -61.541 7.487 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 8.148 -62.841 7.101 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 7.246 -58.346 -0.817 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 6.582 -57.839 -0.295 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 8.109 -58.068 -0.424 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 13.675 -61.510 -4.180 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 14.017 -62.407 -4.185 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 13.927 -61.159 -3.293 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 0.660 -52.304 -8.273 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -0.158 -52.849 -8.367 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 0.604 -51.950 -7.359 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 0.915 -54.329 -4.299 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 0.293 -54.480 -3.568 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 1.584 -53.700 -3.916 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 8.491 -51.114 -10.483 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 9.228 -51.513 -11.005 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 7.677 -51.390 -10.969 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 13.950 -49.647 -10.340 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 13.591 -48.931 -10.924 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 14.800 -49.294 -10.031 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 0.865 -52.262 7.429 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 1.699 -52.351 6.901 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 0.389 -51.550 6.990 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 11.415 -57.718 5.374 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 11.648 -57.170 6.153 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 10.779 -58.376 5.725 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 11.562 -53.787 -9.771 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 11.441 -53.892 -8.810 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 12.065 -54.594 -10.033 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 0.660 -54.905 6.506 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 1.193 -54.538 5.751 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 0.636 -54.174 7.147 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 6.245 -55.349 3.132 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 5.281 -55.510 3.247 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 6.495 -54.847 3.917 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 12.400 -58.581 -1.132 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 12.039 -57.813 -0.616 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 12.571 -58.210 -2.020 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 13.131 -60.870 5.798 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 13.165 -61.638 5.186 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 12.419 -60.315 5.437 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 7.739 -58.238 5.390 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 7.888 -57.958 4.459 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 8.475 -58.859 5.573 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 5.880 -60.932 8.038 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 4.938 -60.791 8.243 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 6.295 -60.058 8.201 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 0.635 -51.531 -5.623 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 1.560 -51.239 -5.492 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 0.566 -52.342 -5.088 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 13.749 -55.794 -5.455 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 14.701 -55.600 -5.428 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 13.611 -56.418 -4.710 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 13.503 -57.964 -3.680 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 13.075 -58.452 -4.415 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 14.204 -58.560 -3.378 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 12.513 -59.584 -5.709 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 11.587 -59.852 -5.745 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 12.966 -60.346 -5.271 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -3.001 -56.623 -1.005 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -2.527 -55.977 -0.426 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -2.916 -56.249 -1.893 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 14.214 -59.879 2.360 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 14.572 -60.369 1.593 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 14.921 -59.926 3.023 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 15.463 -61.437 0.474 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 16.433 -61.470 0.332 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 15.303 -62.098 1.176 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 14.320 -60.392 -1.793 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 13.621 -59.809 -1.422 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 14.756 -60.775 -1.002 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -1.565 -49.892 -5.050 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -1.829 -50.410 -4.261 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -0.798 -50.385 -5.410 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 12.750 -49.032 -7.893 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 12.829 -49.170 -8.854 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 13.592 -48.598 -7.649 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 0.540 -50.757 -10.539 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 0.586 -51.291 -9.712 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 0.009 -49.971 -10.290 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 8.315 -55.971 13.181 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 7.466 -55.478 13.113 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 8.147 -56.802 12.693 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 9.752 -54.498 15.023 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 10.201 -55.300 15.346 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 9.161 -54.828 14.311 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 15.124 -56.462 12.604 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 15.271 -56.704 13.549 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 15.020 -57.308 12.159 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -6.064 -61.878 7.166 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -5.534 -62.424 7.755 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -6.808 -61.594 7.707 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 2.135 -54.519 11.207 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 1.340 -54.064 11.572 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 1.763 -55.215 10.613 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 9.383 -52.568 16.884 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 8.424 -52.513 17.093 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 9.435 -53.264 16.188 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 5.595 -57.526 13.727 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 5.592 -56.558 13.805 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 4.743 -57.734 13.291 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 9.775 -54.965 10.235 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 9.429 -54.625 9.382 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 9.829 -54.165 10.807 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 7.237 -54.087 20.406 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 6.612 -54.604 19.861 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 6.971 -53.160 20.248 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 5.109 -54.423 18.569 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 4.896 -54.654 17.639 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 4.233 -54.260 18.974 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 11.257 -50.674 16.398 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 11.678 -50.830 15.536 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 10.676 -51.457 16.523 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 11.533 -52.667 13.935 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 10.901 -53.270 14.374 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 12.229 -53.267 13.581 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 13.012 -54.665 12.787 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 12.378 -55.338 12.482 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 13.876 -55.124 12.767 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 14.109 -57.313 17.553 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 13.392 -57.946 17.756 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 13.995 -56.613 18.206 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 8.254 -61.077 12.947 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 9.112 -61.071 13.421 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 8.021 -62.006 12.892 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 7.222 -58.526 8.063 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 8.100 -58.156 8.323 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 7.185 -58.383 7.094 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 11.265 -56.581 11.858 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 10.612 -55.995 11.408 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 11.907 -56.817 11.145 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 3.587 -57.978 11.846 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 4.324 -58.124 11.217 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 2.793 -58.109 11.316 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 5.851 -54.794 12.841 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 5.095 -54.252 13.151 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 5.656 -54.951 11.894 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 6.684 -52.432 17.272 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 6.299 -52.003 16.471 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 6.110 -53.206 17.427 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 9.523 -57.182 8.590 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 9.550 -56.521 9.310 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 10.302 -56.978 8.054 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 10.148 -52.589 11.497 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 10.716 -52.554 12.297 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 9.710 -51.710 11.479 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 3.465 -51.320 19.547 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 3.217 -52.210 19.216 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 2.664 -51.019 20.033 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 1.406 -57.507 6.985 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 2.217 -57.762 6.503 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 1.125 -56.668 6.562 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 -1.876 -53.129 18.765 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 -2.823 -53.395 18.848 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 -1.866 -52.193 19.068 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 11.623 -47.351 7.766 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 11.468 -46.721 7.060 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 12.588 -47.528 7.724 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 7.504 -51.197 9.006 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 8.281 -51.447 8.488 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 7.876 -50.732 9.784 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 2.448 -53.744 18.885 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 1.662 -53.832 19.466 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 2.070 -53.584 17.993 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 0.692 -59.104 9.092 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 -0.184 -59.527 8.958 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 0.858 -58.627 8.247 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 7.636 -58.548 12.314 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 7.800 -59.498 12.527 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 6.924 -58.281 12.947 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 11.953 -58.804 18.490 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 11.890 -59.661 18.923 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 11.528 -58.949 17.607 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 3.008 -60.338 8.130 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 2.517 -61.031 7.659 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 2.334 -59.921 8.704 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 0.219 -61.373 6.665 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 -0.399 -61.037 7.340 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 -0.325 -61.456 5.868 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 15.801 -47.147 25.042 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 16.114 -47.557 24.204 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 16.117 -46.225 24.988 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 5.845 -57.929 10.304 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 6.259 -58.139 9.435 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 6.521 -58.206 10.961 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 10.957 -59.350 16.054 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 10.961 -60.057 15.377 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 10.790 -58.529 15.541 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 12.636 -61.902 8.342 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 11.696 -62.012 8.149 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 13.010 -61.544 7.507 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 11.312 -53.611 18.519 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 10.570 -53.282 17.974 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 10.894 -54.242 19.135 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 10.591 -59.287 11.710 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 9.635 -59.287 11.547 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 10.811 -58.343 11.835 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 4.840 -55.383 10.347 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 5.059 -56.343 10.311 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 3.891 -55.362 10.576 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 8.878 -54.084 7.778 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 9.022 -54.565 6.930 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 7.907 -54.137 7.917 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 11.876 -63.175 12.520 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 11.827 -64.054 12.903 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 12.405 -63.300 11.700 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 10.619 -52.128 8.790 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 10.560 -52.386 9.732 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 10.144 -52.840 8.317 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 10.516 -57.174 14.462 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 11.077 -56.968 13.691 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 9.614 -56.963 14.158 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 -1.886 -55.681 7.438 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 -1.024 -55.807 6.997 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 -1.810 -54.795 7.857 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 6.134 -54.457 8.117 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 5.788 -54.899 8.924 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 5.714 -54.955 7.372 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 12.870 -51.174 6.065 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 12.267 -50.604 5.579 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 12.801 -50.863 6.989 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 1.586 -53.154 16.323 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 1.568 -52.485 15.607 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 0.685 -53.543 16.308 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 -1.724 -60.060 8.250 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 -2.402 -59.817 8.912 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 -2.097 -59.746 7.397 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 9.999 -46.659 15.518 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 10.950 -46.775 15.426 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 9.875 -46.452 16.470 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 -0.693 -46.613 23.564 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 0.164 -46.264 23.256 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 -0.450 -47.241 24.285 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 4.078 -48.936 23.037 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 4.931 -49.152 22.618 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 3.713 -48.223 22.481 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 11.841 -50.518 22.067 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 12.555 -49.889 21.812 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 11.805 -50.449 23.048 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 8.197 -52.614 22.554 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 9.140 -52.861 22.431 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 7.712 -53.245 21.987 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 15.260 -59.205 5.176 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 15.265 -58.444 5.797 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 14.536 -59.777 5.506 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 12.128 -56.681 20.207 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 12.037 -57.442 19.596 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 11.253 -56.241 20.173 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 1.416 -56.498 9.560 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 0.959 -57.335 9.762 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 1.531 -56.523 8.591 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 4.765 -55.801 6.162 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 4.316 -55.626 5.315 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 4.556 -56.741 6.349 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 12.677 -55.115 22.369 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 12.530 -55.723 21.608 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 13.419 -55.500 22.838 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 9.866 -55.077 20.382 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 10.178 -54.457 21.073 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 8.899 -54.926 20.348 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 12.150 -48.235 17.636 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 12.954 -48.352 18.157 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 12.059 -49.072 17.142 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 13.590 -48.401 21.532 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 13.146 -47.976 22.298 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 13.631 -47.688 20.855 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 14.209 -54.266 7.921 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 14.452 -53.889 7.046 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 14.304 -53.501 8.539 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 13.029 -57.334 9.964 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 13.113 -58.315 10.075 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 13.957 -57.020 9.895 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 15.470 -57.511 15.139 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 14.889 -57.352 15.917 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 16.145 -58.108 15.470 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 13.233 -51.713 18.461 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 12.596 -52.466 18.483 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 14.069 -52.120 18.227 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 12.292 -56.305 7.593 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 12.719 -55.424 7.668 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 12.433 -56.714 8.479 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 13.309 -63.778 10.265 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 14.097 -64.235 9.959 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 13.134 -63.108 9.570 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 12.960 -59.971 10.347 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 12.130 -60.022 10.859 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 12.895 -60.708 9.710 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 -0.209 -56.328 14.691 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 -0.451 -55.683 15.394 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 0.713 -56.540 14.873 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 11.190 -60.528 3.671 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 10.942 -60.283 2.748 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 11.730 -61.339 3.565 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 10.845 -61.011 13.832 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 10.919 -60.331 13.129 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 11.284 -61.802 13.445 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 11.178 -48.488 10.229 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 11.348 -47.820 10.925 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 11.209 -47.974 9.391 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 0.927 -50.967 20.563 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 0.739 -51.921 20.631 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 0.052 -50.563 20.429 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 4.108 -54.253 16.053 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 3.222 -53.923 16.305 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 4.121 -54.166 15.083 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 9.011 -47.732 13.101 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 9.820 -47.403 12.660 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 9.103 -47.415 14.023 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 12.623 -50.293 8.701 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 12.247 -49.625 9.319 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 11.949 -51.015 8.700 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 13.515 -48.290 25.810 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 14.392 -47.961 25.488 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 13.605 -48.290 26.768 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 9.529 -45.248 23.181 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 8.622 -44.872 23.065 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 9.419 -45.913 23.875 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 6.580 -49.795 21.763 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 6.400 -50.517 21.117 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 6.958 -50.253 22.529 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 8.808 -50.585 24.215 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 9.677 -50.881 24.529 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 8.444 -51.369 23.744 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 11.627 -50.078 24.791 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 10.982 -49.353 24.891 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 12.457 -49.709 25.155 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 10.841 -53.142 22.108 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 11.324 -52.294 22.043 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 11.543 -53.801 22.331 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 7.856 -46.464 25.956 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 7.233 -46.951 26.505 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 7.446 -45.577 25.860 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 9.660 -48.038 24.696 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 9.044 -47.481 25.228 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 9.131 -48.839 24.479 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 2.209 -49.577 24.963 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 2.878 -49.216 24.340 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 2.279 -50.527 24.856 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 9.173 -40.829 -22.237 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 9.177 -41.605 -21.640 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 8.254 -40.786 -22.565 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 8.668 -37.095 -21.195 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 8.217 -37.463 -21.990 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 9.406 -37.712 -21.034 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 -1.066 -43.021 -25.450 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 -1.595 -43.160 -26.239 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 -1.165 -42.060 -25.261 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 9.198 -31.122 -19.607 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 9.473 -32.002 -19.275 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 9.879 -30.510 -19.250 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 4.568 -45.553 -21.198 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 4.391 -45.077 -22.032 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 5.169 -46.276 -21.461 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 14.969 -44.917 -19.185 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 14.470 -44.557 -19.925 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 14.289 -45.361 -18.630 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 14.348 -42.633 -14.678 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 14.523 -42.349 -13.751 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 13.993 -41.830 -15.107 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 13.150 -45.882 -17.370 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 13.772 -45.555 -16.686 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 12.269 -45.561 -17.066 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 0.359 -34.965 -25.525 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 0.900 -35.743 -25.788 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 -0.209 -34.804 -26.286 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 9.796 -36.114 -17.479 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 9.919 -36.456 -16.567 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 10.345 -36.709 -18.030 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 17.129 -44.764 -17.484 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 16.444 -44.932 -18.175 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 17.659 -44.047 -17.848 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 6.938 -50.358 -23.714 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 6.478 -51.192 -23.849 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 6.980 -50.261 -22.738 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 11.016 -39.165 -23.672 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 10.514 -38.749 -24.395 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 10.424 -39.866 -23.346 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 13.020 -37.650 -16.337 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 12.527 -37.773 -17.183 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 13.543 -36.837 -16.484 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 9.102 -38.538 -25.648 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 8.861 -39.488 -25.761 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 9.235 -38.219 -26.547 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 10.534 -37.329 -15.130 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 11.466 -37.508 -15.356 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 10.461 -37.577 -14.189 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 9.426 -42.717 -15.194 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 8.573 -42.373 -15.487 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 9.221 -43.202 -14.381 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 6.603 -41.055 -23.300 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 5.647 -41.147 -23.085 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 6.933 -41.985 -23.306 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 7.502 -34.882 -20.254 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 6.850 -35.317 -19.697 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 7.992 -35.633 -20.681 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 9.507 -33.755 -18.755 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 8.839 -34.021 -19.420 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 9.703 -34.594 -18.272 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 -0.669 -37.966 -22.601 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 -1.575 -38.116 -22.954 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 -0.079 -38.243 -23.337 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 16.977 -35.011 -15.618 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 17.817 -35.178 -16.059 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 17.225 -34.674 -14.750 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 1.768 -37.905 -21.246 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 0.907 -37.978 -21.691 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 1.849 -36.959 -21.038 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 11.088 -41.617 -11.202 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 11.240 -41.759 -12.137 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 11.741 -42.220 -10.759 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 2.749 -45.722 -19.100 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 2.041 -45.956 -19.723 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 3.544 -45.640 -19.665 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 8.880 -40.648 -18.593 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 9.002 -41.346 -19.263 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 9.760 -40.528 -18.211 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 4.072 -42.094 -22.848 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 3.293 -42.232 -22.284 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 4.220 -42.968 -23.264 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 8.272 -41.117 -25.509 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 7.531 -40.994 -24.883 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 8.697 -41.931 -25.212 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 9.198 -42.844 -20.329 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 8.979 -43.739 -20.664 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 10.149 -42.902 -20.079 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 -1.363 -44.855 -19.980 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 -0.552 -45.208 -20.398 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 -1.428 -45.353 -19.132 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 7.714 -45.074 -21.074 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 7.168 -44.867 -20.286 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 7.329 -45.908 -21.418 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 0.044 -44.484 -23.421 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 0.629 -43.837 -22.991 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 -0.271 -44.021 -24.233 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 4.308 -44.648 -23.839 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 3.573 -45.032 -24.333 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 5.107 -44.951 -24.322 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 11.047 -44.851 -15.976 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 10.333 -44.195 -16.052 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 11.484 -44.630 -15.129 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 12.295 -31.969 -12.987 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 12.244 -31.300 -12.266 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 12.578 -31.462 -13.761 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 6.593 -45.457 -25.144 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 6.595 -45.332 -26.101 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 6.904 -46.384 -25.021 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 11.682 -37.729 -18.716 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 12.347 -37.098 -19.078 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 11.340 -38.198 -19.510 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 13.688 -35.683 -13.894 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 12.731 -35.487 -13.961 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 14.008 -35.610 -14.813 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 10.756 -38.942 -20.964 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 10.131 -39.673 -21.140 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 11.188 -38.791 -21.832 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 0.972 -38.823 -24.596 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 1.769 -39.225 -24.221 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 1.314 -38.178 -25.252 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 7.504 -38.199 -23.385 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 7.055 -39.059 -23.367 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 8.053 -38.230 -24.194 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 3.904 -36.127 -24.404 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 4.532 -36.413 -23.729 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 3.514 -35.304 -24.038 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 7.622 -43.569 -23.392 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 7.284 -44.248 -24.011 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 7.728 -44.050 -22.545 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 2.188 -47.635 -28.438 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 1.706 -48.444 -28.259 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 2.126 -47.525 -29.389 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 12.526 -44.403 -13.688 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 12.941 -44.550 -12.800 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 13.111 -43.743 -14.113 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 11.697 -42.240 -19.362 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 12.228 -41.509 -19.698 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 11.662 -42.086 -18.390 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 11.257 -29.583 -18.607 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 11.412 -29.110 -19.459 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 11.147 -28.855 -17.953 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 0.874 -45.981 -21.178 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 0.612 -45.801 -22.105 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 0.784 -46.961 -21.086 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 2.153 -36.936 -26.265 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 2.637 -37.041 -27.093 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 2.848 -36.662 -25.612 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 10.097 -37.755 -12.398 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 10.786 -37.348 -11.830 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 9.979 -38.640 -12.028 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 1.747 -47.380 -17.165 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 1.865 -47.097 -16.238 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 2.199 -46.685 -17.692 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 7.811 -45.741 -16.850 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 7.508 -46.654 -17.048 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 7.383 -45.192 -17.540 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 7.410 -45.323 -13.086 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 7.604 -46.269 -13.044 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 6.803 -45.239 -13.827 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 0.570 -31.826 -21.822 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 0.144 -32.576 -22.291 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 -0.135 -31.491 -21.224 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 2.311 -33.964 -23.735 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 1.721 -34.148 -24.491 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 1.721 -34.002 -22.963 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 14.443 -35.198 -16.566 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 15.396 -35.155 -16.309 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 14.131 -34.261 -16.488 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 8.668 -35.442 -13.525 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 8.895 -36.348 -13.260 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 9.508 -35.080 -13.869 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 13.652 -35.894 -19.181 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 13.978 -35.623 -18.300 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 14.035 -35.252 -19.783 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 10.787 -32.753 -16.509 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 10.344 -31.900 -16.422 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 10.394 -33.144 -17.319 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 13.738 -39.099 -11.237 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 13.996 -39.195 -10.295 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 14.415 -38.491 -11.610 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 14.312 -41.614 -12.153 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 13.975 -42.326 -11.547 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 13.942 -40.788 -11.777 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.368 -41.489 -16.764 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 11.980 -41.001 -16.177 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 10.718 -41.892 -16.151 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 13.178 -40.091 -15.119 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 13.510 -39.849 -14.244 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 13.145 -39.235 -15.608 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 -4.669 -39.340 -10.941 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 -4.740 -40.211 -10.542 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 -4.320 -39.519 -11.847 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 1.758 -43.291 -21.440 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 1.814 -44.240 -21.216 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 1.344 -42.891 -20.668 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 -4.823 -42.360 -12.447 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 -4.279 -41.566 -12.690 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 -5.377 -42.513 -13.243 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 11.807 -47.047 -14.048 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 12.156 -46.131 -14.048 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 12.318 -47.502 -14.754 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 11.438 -27.454 -16.954 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 12.117 -26.882 -17.360 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 10.720 -26.830 -16.709 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 6.497 -47.311 -22.198 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 6.571 -48.199 -21.793 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 6.814 -47.440 -23.112 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 7.590 -47.961 -24.740 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 8.471 -48.105 -25.101 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 7.274 -48.871 -24.511 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 7.093 -48.382 -17.238 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 6.796 -48.886 -16.449 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 6.578 -48.770 -17.971 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 11.183 -34.245 -14.186 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 11.513 -33.455 -13.713 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 10.998 -33.919 -15.093 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 12.524 -34.552 -6.943 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 13.056 -34.813 -7.719 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 13.098 -34.757 -6.179 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 -1.741 -45.269 -3.091 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 -1.561 -45.805 -3.892 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 -1.122 -45.608 -2.441 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 13.840 -35.237 -9.353 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 14.037 -34.665 -10.128 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 14.692 -35.690 -9.169 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 1.096 -32.901 -13.524 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 1.997 -32.560 -13.644 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 1.193 -33.596 -12.842 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 13.567 -46.150 19.997 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 12.635 -45.880 19.936 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 14.042 -45.324 20.228 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 13.213 -41.806 21.801 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 12.452 -42.299 22.191 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 12.792 -41.112 21.257 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 15.919 -37.332 20.405 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 16.245 -38.091 20.930 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 16.694 -36.749 20.322 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 14.847 -43.821 20.840 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 14.276 -43.102 21.188 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 15.411 -43.380 20.181 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 10.873 -46.130 20.964 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 11.480 -46.617 21.540 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 10.251 -45.702 21.588 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 6.142 -51.605 19.806 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 6.407 -51.839 18.888 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 5.158 -51.543 19.762 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 18.776 -41.208 22.391 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 19.606 -40.807 22.047 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 18.686 -42.045 21.884 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 16.331 -47.973 22.514 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 16.614 -47.115 22.143 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 15.534 -48.203 22.007 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 10.142 -46.532 18.281 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 10.265 -46.326 19.228 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 10.899 -47.119 18.064 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 11.354 -46.492 12.208 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 12.342 -46.544 12.200 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 11.162 -45.609 12.596 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 14.056 -46.816 11.952 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 14.762 -46.329 12.432 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 14.548 -47.397 11.337 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 9.098 -50.026 11.175 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 8.837 -49.414 11.889 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 9.852 -49.570 10.737 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 12.097 -47.352 23.559 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 12.663 -47.491 24.345 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 11.186 -47.448 23.904 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 0.030 -37.198 27.571 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 0.032 -38.099 27.914 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 0.817 -37.168 26.977 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 7.531 -37.430 34.727 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 8.433 -37.753 34.643 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 7.239 -37.298 33.820 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 2.198 -37.611 25.982 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 3.160 -37.533 26.106 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 2.106 -37.918 25.052 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 9.490 -37.303 27.091 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 10.308 -37.414 26.569 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 8.795 -37.705 26.535 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 8.846 -41.358 23.553 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 7.986 -41.477 23.088 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 9.015 -40.383 23.499 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 11.651 -37.459 25.335 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 11.046 -37.008 24.695 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 11.708 -38.371 25.004 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 11.839 -39.988 23.967 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 11.700 -40.947 23.872 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 10.948 -39.596 23.773 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 1.156 -42.524 26.650 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 0.845 -43.405 26.350 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 1.886 -42.307 26.030 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 7.734 -27.303 31.430 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 7.982 -27.495 32.339 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 6.761 -27.465 31.407 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 13.856 -32.733 26.547 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 13.353 -33.413 27.046 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 13.225 -32.429 25.849 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 10.630 -28.291 27.856 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 9.961 -27.647 28.175 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 11.010 -28.656 28.663 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 7.060 -44.154 23.213 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 6.752 -43.301 22.844 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 6.758 -44.136 24.142 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 -0.841 -45.505 28.049 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 -0.341 -45.368 27.221 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 -0.864 -46.477 28.156 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 6.576 -44.002 25.926 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 5.877 -43.449 26.292 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 7.399 -43.467 26.049 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 6.487 -41.642 22.261 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 6.705 -41.558 21.305 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 5.706 -41.055 22.383 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 2.663 -42.040 24.382 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 2.890 -42.571 23.591 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 2.032 -41.353 24.039 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 6.829 -35.627 36.682 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 7.118 -36.260 35.997 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 6.191 -36.115 37.200 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 8.843 -42.591 25.968 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 9.778 -42.702 26.160 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 8.828 -42.076 25.130 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 11.011 -42.861 23.011 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 10.174 -42.366 23.153 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 10.734 -43.801 23.025 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 9.759 -34.805 28.132 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 9.012 -34.381 27.664 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 9.651 -35.762 27.934 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 7.555 -35.600 24.468 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 7.829 -34.986 25.176 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 8.406 -35.850 24.019 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 13.261 -38.235 22.232 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 12.928 -38.667 21.425 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 12.802 -38.699 22.953 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 14.094 -30.802 22.610 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 14.998 -30.458 22.756 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 13.728 -30.227 21.922 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 12.424 -34.451 28.131 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 12.602 -34.691 29.046 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 11.437 -34.500 28.058 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 7.504 -34.030 26.766 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 6.933 -34.802 27.001 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 6.889 -33.294 26.705 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 -0.334 -40.339 26.023 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 0.218 -40.001 25.290 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 0.176 -41.108 26.366 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 13.557 -30.380 27.967 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 13.650 -31.153 27.372 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 13.719 -30.737 28.843 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 2.532 -30.383 28.302 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 2.927 -31.124 27.828 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 1.799 -30.083 27.710 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 1.869 -45.437 23.375 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 2.258 -44.612 23.025 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 2.324 -46.144 22.874 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 4.226 -40.242 22.851 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 3.968 -40.889 23.530 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 3.532 -39.538 22.919 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 -1.829 -33.839 28.144 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 -1.439 -32.972 28.298 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 -1.092 -34.454 28.250 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 5.876 -36.125 27.348 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 6.308 -36.858 27.800 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 5.397 -36.551 26.607 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 7.574 -38.164 25.283 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 7.489 -37.224 25.004 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 8.231 -38.539 24.651 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 16.850 -39.271 22.231 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 16.026 -39.617 22.644 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 17.457 -40.048 22.226 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 5.583 -28.070 26.782 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 6.105 -28.613 26.153 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 6.141 -27.275 26.921 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 -4.191 -32.445 27.451 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 -4.480 -32.955 26.660 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 -3.468 -32.982 27.824 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 13.753 -36.415 26.747 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 13.343 -35.668 27.231 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 12.995 -36.843 26.285 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 14.780 -40.490 23.598 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 14.338 -41.068 22.936 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 14.044 -40.065 24.065 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 16.842 -44.550 24.804 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 17.640 -44.630 25.338 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 16.551 -43.617 24.949 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 16.821 -45.227 22.121 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 16.020 -44.792 21.756 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 16.808 -44.993 23.076 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 -3.513 -44.846 28.451 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 -3.820 -45.657 28.019 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 -2.547 -44.972 28.536 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 -1.660 -48.206 27.868 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 -2.200 -48.865 28.313 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 -2.280 -47.768 27.240 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 2.384 -30.130 31.123 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 2.348 -30.238 30.151 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 2.786 -30.946 31.438 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 0.229 -44.800 25.487 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 -0.494 -45.311 25.078 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 1.025 -45.076 24.979 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 4.857 -37.736 25.287 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 5.779 -38.069 25.227 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 4.411 -38.130 24.520 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 9.731 -27.213 24.179 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 10.493 -26.640 24.404 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 10.035 -28.115 24.423 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 12.423 -31.428 24.691 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 13.028 -31.216 23.945 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 11.927 -30.601 24.839 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 10.841 -25.125 -19.459 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 10.215 -25.099 -20.210 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 10.475 -24.474 -18.824 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 4.252 -28.136 -21.862 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 3.778 -28.486 -22.629 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 4.490 -28.940 -21.344 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 1.645 -29.922 -19.355 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 1.559 -30.637 -20.006 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 1.296 -29.131 -19.821 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 7.641 -21.048 -17.129 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 7.157 -21.718 -17.658 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 7.206 -20.215 -17.347 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 11.660 -26.553 -23.118 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 11.874 -26.757 -24.030 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 11.305 -25.638 -23.152 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 3.380 -25.623 -21.117 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 3.056 -25.701 -20.192 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 3.707 -26.525 -21.335 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 13.185 -25.512 -17.932 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 12.493 -25.317 -18.602 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 13.578 -24.632 -17.731 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 4.488 -31.454 -18.372 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 4.838 -32.356 -18.438 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 4.600 -31.084 -19.276 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 12.182 -24.161 -15.160 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 11.620 -23.529 -14.661 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 11.544 -24.664 -15.707 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 3.848 -16.907 -15.558 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 4.540 -16.863 -14.863 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 3.170 -17.472 -15.178 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 5.976 -24.746 -20.499 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 5.060 -24.751 -20.838 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 6.333 -25.620 -20.771 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 5.658 -17.274 -13.510 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 5.293 -18.076 -13.072 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 6.594 -17.471 -13.617 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 4.507 -17.040 -18.214 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 4.308 -17.052 -17.255 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 4.287 -16.150 -18.488 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 13.665 -25.968 -13.718 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 13.137 -25.260 -14.151 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 14.134 -26.401 -14.464 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 12.316 -28.297 -13.141 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 12.875 -27.500 -13.293 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 12.047 -28.568 -14.031 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 6.704 -23.350 -18.269 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 6.209 -23.783 -17.543 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 6.383 -23.804 -19.083 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 2.214 -25.994 -18.656 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 1.806 -25.424 -17.966 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 2.659 -26.705 -18.148 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 9.871 -25.388 -16.167 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 9.489 -24.548 -16.482 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 9.608 -25.435 -15.221 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 6.832 -27.200 -21.460 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 5.924 -27.479 -21.690 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 7.368 -28.020 -21.579 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 10.406 -24.104 -23.268 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 10.172 -23.191 -23.442 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 9.774 -24.389 -22.573 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 -0.167 -24.291 -14.115 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 0.420 -23.819 -13.499 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 -0.941 -23.700 -14.197 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 9.461 -23.183 -17.987 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 9.505 -22.270 -17.665 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 8.511 -23.321 -18.178 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 4.801 -30.652 -20.935 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 4.225 -30.962 -21.676 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 5.602 -31.222 -21.000 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 8.678 -25.033 -21.340 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 7.939 -24.580 -20.900 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 8.317 -25.914 -21.562 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 10.468 -18.421 -14.971 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 10.124 -18.455 -15.866 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 10.101 -17.584 -14.605 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 0.999 -24.401 -16.684 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 0.525 -24.593 -15.852 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 0.352 -23.869 -17.208 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 2.344 -29.179 -15.400 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 1.450 -29.397 -15.729 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 2.756 -28.694 -16.136 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 14.525 -27.137 -16.151 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 14.098 -26.546 -16.814 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 15.354 -27.394 -16.566 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 4.076 -15.414 -8.429 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 4.947 -15.883 -8.457 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 4.135 -14.769 -9.143 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 15.333 -16.311 -14.146 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 14.881 -17.046 -14.576 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 16.171 -16.240 -14.614 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 3.426 -21.800 -13.217 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 3.522 -22.453 -13.933 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 2.476 -21.849 -12.977 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 -2.824 -23.593 -11.080 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 -3.341 -24.340 -11.455 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 -2.251 -24.015 -10.414 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 5.662 -24.459 -15.936 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 5.675 -25.415 -15.802 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 4.778 -24.182 -15.605 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 8.021 -23.087 -15.288 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 7.196 -23.576 -15.471 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 7.930 -22.260 -15.809 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 10.325 -22.721 -13.808 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 10.204 -23.157 -12.947 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 9.467 -22.859 -14.273 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 3.116 -24.026 -14.952 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 2.511 -23.939 -15.723 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 2.625 -24.578 -14.332 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 14.067 -23.162 -16.829 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 13.403 -23.480 -16.178 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 14.406 -22.354 -16.443 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 -1.643 -26.692 -13.693 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 -1.118 -25.929 -14.000 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 -1.185 -26.987 -12.894 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 13.731 -33.973 -11.786 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 13.899 -34.619 -12.506 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 13.346 -33.198 -12.247 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 0.821 -25.360 -22.111 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 0.855 -25.216 -23.063 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 1.761 -25.300 -21.823 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 13.489 -32.659 -16.272 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 13.628 -31.692 -16.342 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 12.525 -32.771 -16.418 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 0.131 -29.971 -16.910 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 -0.573 -29.433 -17.318 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 0.731 -30.176 -17.653 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 4.625 -19.492 -12.326 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 4.036 -19.352 -11.566 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 4.283 -20.312 -12.747 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 13.196 -29.929 -16.530 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 12.594 -29.913 -17.299 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 13.423 -28.996 -16.387 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 7.946 -29.686 -21.745 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 8.609 -29.896 -21.064 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 7.520 -30.536 -21.928 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 11.419 -27.689 -20.576 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 11.578 -27.413 -21.504 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 11.289 -26.849 -20.098 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 3.048 -31.364 -22.845 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 3.100 -32.171 -23.388 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 2.124 -31.364 -22.510 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 7.004 -32.258 -20.871 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 7.734 -31.857 -20.350 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 7.148 -33.226 -20.779 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 11.589 -31.263 -25.854 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 11.883 -31.943 -25.247 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 11.076 -30.660 -25.311 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 3.413 -28.369 -17.851 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 2.897 -29.012 -18.390 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 4.322 -28.695 -17.902 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 2.951 -31.784 -16.176 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 3.532 -31.560 -16.935 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 2.871 -30.944 -15.680 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 16.411 -24.782 -5.490 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 16.096 -25.494 -4.890 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 16.127 -25.074 -6.373 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 -1.116 -21.745 -0.679 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 -0.148 -21.631 -0.557 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 -1.472 -21.687 0.226 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 14.242 -22.796 -7.235 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 13.763 -21.942 -7.220 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 15.008 -22.649 -6.662 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 2.775 -19.114 -3.053 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 2.218 -18.552 -3.621 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 3.628 -19.166 -3.535 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 5.569 -20.524 -1.324 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 6.257 -20.077 -1.857 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 4.889 -19.843 -1.192 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 5.624 -20.591 3.030 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 5.031 -20.747 3.783 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 6.071 -19.747 3.247 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 2.977 -19.356 -0.321 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 2.814 -19.166 -1.273 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 2.441 -20.155 -0.143 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 7.267 -12.691 0.752 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 6.829 -13.503 0.418 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 6.898 -11.983 0.213 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 9.900 -18.250 -3.958 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 10.556 -18.817 -4.407 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 10.329 -17.387 -3.917 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 12.728 -18.248 -2.763 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 12.616 -18.676 -3.635 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 13.670 -18.402 -2.540 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 15.599 -17.155 0.460 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 15.896 -16.806 1.327 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 14.645 -16.988 0.453 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 5.119 -18.953 -4.490 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 5.479 -18.854 -5.380 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 5.913 -19.001 -3.913 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 7.051 -16.363 -1.975 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 6.971 -15.636 -2.598 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 6.680 -16.007 -1.143 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 3.082 -17.913 2.108 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 3.593 -17.115 1.900 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 3.105 -18.437 1.274 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 1.503 -21.677 0.285 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 1.555 -21.506 1.247 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 1.986 -22.516 0.170 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 7.358 -18.887 -2.918 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 8.255 -18.871 -3.315 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 7.263 -17.995 -2.509 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 4.266 -14.990 2.442 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 3.564 -14.850 3.087 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 5.052 -14.557 2.846 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 13.520 -29.158 -8.671 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 14.379 -29.166 -8.229 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 12.887 -29.427 -7.968 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 -3.935 -19.572 1.226 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 -3.978 -18.619 1.369 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 -2.973 -19.786 1.310 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 1.982 -17.183 -4.976 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 2.844 -16.774 -4.826 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 1.350 -16.441 -4.895 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 15.909 -17.095 5.603 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 15.907 -18.075 5.487 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 15.176 -16.925 6.235 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 6.038 -15.123 0.314 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 6.702 -15.534 0.917 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 5.214 -15.111 0.844 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 -1.406 -20.221 1.933 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 -0.544 -19.760 1.946 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 -1.580 -20.416 2.878 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 12.031 -22.430 -9.887 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 11.475 -22.896 -10.543 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 12.389 -21.653 -10.382 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 0.977 -25.079 -1.090 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 1.783 -24.798 -0.616 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 0.308 -25.170 -0.381 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 17.266 -22.240 2.084 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 17.078 -22.291 1.121 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 17.569 -21.321 2.221 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 1.898 -21.572 3.113 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 2.636 -21.498 3.753 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 1.418 -20.718 3.206 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 18.597 -19.878 2.504 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 18.430 -19.656 1.557 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 18.596 -19.004 2.949 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -0.612 -25.004 1.185 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 0.073 -24.739 1.832 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -1.383 -24.435 1.406 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 7.849 -16.018 2.149 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 8.765 -16.087 1.802 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 7.704 -16.861 2.612 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 15.357 -26.150 -7.946 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 15.688 -26.914 -7.414 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 15.551 -26.398 -8.858 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 15.387 -18.600 -2.185 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 15.679 -18.043 -1.443 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 16.099 -18.515 -2.847 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 2.630 -17.680 -7.690 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 3.078 -16.822 -7.836 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 2.323 -17.635 -6.764 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 3.035 -11.716 -6.558 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 2.975 -11.099 -7.291 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 3.361 -11.165 -5.809 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 10.639 -17.225 -1.326 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 9.943 -17.684 -1.813 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 11.472 -17.555 -1.733 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 12.905 -20.124 -10.996 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 12.379 -20.150 -11.836 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 13.613 -19.503 -11.183 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 9.592 -13.346 2.076 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 8.833 -12.979 1.576 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 9.809 -14.179 1.601 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 3.935 -29.752 -1.627 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 3.807 -28.963 -2.168 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 4.823 -29.622 -1.225 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 12.298 -19.142 -5.395 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 12.187 -19.790 -6.115 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 13.180 -18.739 -5.574 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 9.316 -16.043 -14.286 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 8.544 -15.506 -14.094 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 10.044 -15.388 -14.398 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 6.422 -16.754 -8.698 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 6.635 -17.553 -8.177 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 7.122 -16.708 -9.358 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 2.670 -14.376 -6.312 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 3.216 -14.735 -7.041 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 2.822 -13.402 -6.355 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.904 -18.615 -10.219 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 2.826 -18.396 -9.258 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 3.062 -17.761 -10.640 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 0.481 -14.819 -4.829 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 0.507 -14.055 -4.242 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 1.201 -14.642 -5.485 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 3.146 -14.520 6.751 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 3.967 -14.155 6.331 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 2.622 -13.739 6.955 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 13.518 -14.519 -13.099 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 13.935 -14.198 -12.297 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 14.174 -15.141 -13.480 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 0.804 -19.080 3.150 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 1.530 -18.516 2.805 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 0.471 -18.591 3.935 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 11.615 -20.310 -13.345 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 11.180 -21.143 -13.619 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 11.177 -19.620 -13.894 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 1.485 -24.286 2.976 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 1.566 -23.307 3.045 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 1.747 -24.610 3.869 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 2.874 -24.063 0.609 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 2.504 -24.298 1.489 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 3.691 -23.560 0.819 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 10.541 -24.266 -11.368 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 9.713 -24.553 -10.923 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 11.129 -25.055 -11.302 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 4.951 -22.142 0.780 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 5.171 -21.717 1.640 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 5.188 -21.460 0.114 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 2.198 -25.046 5.528 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 3.036 -25.565 5.515 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 2.180 -24.650 6.405 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 0.646 -20.276 -10.397 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 1.428 -19.685 -10.315 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 0.333 -20.393 -9.473 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 3.749 -9.867 -4.712 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 2.895 -9.451 -4.460 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 4.414 -9.295 -4.321 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 10.373 -15.751 0.937 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 11.282 -15.859 1.286 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 10.394 -16.226 0.070 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 14.824 -18.278 -6.001 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 15.241 -17.610 -6.548 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 15.543 -18.578 -5.402 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 17.066 -18.907 -4.514 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 17.196 -19.852 -4.706 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 17.837 -18.668 -3.960 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 17.875 -18.725 0.190 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 17.057 -18.189 0.232 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 18.152 -18.671 -0.748 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 12.927 -15.817 2.024 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 13.706 -15.316 2.328 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 12.505 -16.128 2.860 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 12.567 -20.641 -7.809 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 12.860 -19.906 -8.364 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 12.149 -21.262 -8.440 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 9.636 -25.807 -13.479 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 10.018 -25.249 -12.782 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 9.587 -26.682 -13.082 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 11.468 -26.762 -11.033 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 11.779 -27.375 -11.727 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 10.998 -27.342 -10.394 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 0.518 -28.760 3.322 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 -0.293 -28.401 3.698 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 1.101 -27.995 3.240 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 12.227 -30.062 -10.988 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 12.368 -29.377 -11.671 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 12.704 -29.716 -10.199 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 0.685 -30.433 1.151 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 1.316 -31.104 1.470 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 0.635 -29.782 1.887 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 6.581 -13.790 3.276 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 7.163 -14.562 3.110 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 6.875 -13.129 2.623 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 9.708 -14.367 4.646 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 9.599 -13.892 3.793 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 10.176 -13.726 5.218 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 1.329 -8.768 -4.098 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 0.546 -9.180 -4.477 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 0.996 -7.970 -3.674 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 11.238 -14.115 -14.513 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 11.494 -13.327 -14.997 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 12.020 -14.315 -13.947 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 12.347 -13.044 2.184 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 11.395 -12.830 2.203 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 12.381 -13.926 1.784 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 9.840 -21.183 10.084 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.469 -20.549 9.659 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 10.176 -21.265 11.008 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 11.751 -21.096 18.650 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 11.320 -20.654 19.410 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 11.786 -20.397 17.965 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 3.375 -20.969 17.794 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 3.301 -21.896 18.073 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 3.837 -20.536 18.544 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 1.062 -18.864 17.491 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 1.707 -19.534 17.777 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 0.261 -19.382 17.271 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 7.747 -14.597 16.513 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 8.504 -14.621 17.140 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 7.085 -14.027 16.971 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 8.913 -19.373 16.652 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 8.172 -18.744 16.766 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 8.666 -20.144 17.213 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 6.266 -26.163 16.367 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 6.378 -25.812 17.277 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 6.454 -25.409 15.801 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 14.556 -27.731 18.531 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 14.502 -26.864 18.101 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 13.894 -27.689 19.232 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 9.161 -17.303 11.589 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 9.233 -18.258 11.679 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 8.660 -17.024 12.383 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 2.095 -17.095 6.575 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 2.757 -17.509 5.981 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 2.374 -16.158 6.626 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 11.639 -19.424 9.099 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 11.665 -18.509 9.455 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 11.990 -19.334 8.190 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 12.562 -17.597 25.185 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 11.805 -17.110 25.539 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 12.602 -18.409 25.737 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 14.129 -22.449 18.661 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 13.266 -21.981 18.582 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 14.653 -22.114 17.900 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 10.382 -23.834 9.621 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 10.226 -22.910 9.909 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 10.886 -23.740 8.785 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 13.086 -20.365 21.858 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 12.425 -20.022 21.222 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 13.484 -19.557 22.248 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 6.486 -24.340 11.592 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 5.789 -23.743 11.945 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 7.281 -24.073 12.059 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 7.147 -17.261 16.761 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 6.623 -17.297 17.587 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 7.390 -16.317 16.680 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 10.464 -16.788 19.276 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 10.747 -17.523 18.701 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 11.159 -16.750 19.971 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 9.029 -11.662 11.037 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 8.610 -11.816 11.920 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 8.632 -10.838 10.731 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 4.763 -22.462 12.748 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 3.954 -22.120 12.348 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 4.736 -22.120 13.663 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 13.727 -16.699 7.315 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 13.219 -17.476 6.982 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 13.464 -16.628 8.244 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 9.939 -12.924 8.736 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 9.563 -12.433 9.500 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 10.376 -13.687 9.139 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 11.802 -16.146 4.450 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 10.964 -15.650 4.548 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 12.452 -15.616 4.949 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 11.265 -13.119 11.763 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 11.299 -13.035 12.722 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 10.490 -12.578 11.503 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 17.129 -22.200 22.622 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 16.329 -22.231 22.050 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 17.511 -23.100 22.546 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 10.660 -19.702 20.727 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 10.521 -19.045 21.435 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 9.876 -20.302 20.797 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 6.506 -24.579 18.662 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 5.828 -23.889 18.693 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 7.191 -24.271 19.301 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 8.443 -15.220 22.375 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 9.223 -15.718 22.098 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 8.019 -15.795 23.053 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 13.037 -14.491 10.262 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 13.877 -14.023 10.271 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 12.443 -13.933 10.815 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 11.411 -18.715 17.306 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 10.481 -18.974 17.090 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 11.701 -18.221 16.536 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 2.990 -19.921 13.045 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 3.606 -19.212 12.836 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 3.364 -20.333 13.853 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 -1.277 -22.558 9.579 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -0.668 -21.815 9.389 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 -1.768 -22.683 8.746 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 0.488 -19.872 12.047 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 0.032 -19.284 12.659 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 1.408 -19.927 12.405 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 12.279 -16.907 21.312 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 11.645 -17.271 21.956 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 13.150 -17.153 21.673 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 9.321 -11.708 18.455 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 9.227 -11.608 17.499 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 9.401 -12.677 18.589 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 14.671 -14.008 3.308 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 14.060 -13.361 2.895 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 14.350 -14.079 4.235 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 12.418 -18.935 6.541 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 11.493 -18.882 6.194 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 12.840 -19.626 5.992 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 6.475 -18.069 3.973 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 7.051 -17.496 4.528 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 5.584 -17.948 4.353 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 3.759 -21.092 5.201 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 3.036 -21.048 5.876 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 4.426 -21.695 5.613 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 0.365 -20.336 9.331 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 0.171 -19.458 8.980 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 0.480 -20.189 10.297 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 7.311 -15.911 8.096 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 7.675 -16.231 8.931 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 6.351 -16.136 8.148 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 4.614 -16.402 8.175 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 4.219 -15.605 7.769 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 3.923 -17.070 8.098 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 15.540 -24.964 20.621 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 14.693 -25.464 20.667 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 15.280 -24.043 20.822 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 11.133 -21.568 12.432 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 11.205 -22.225 13.134 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 12.029 -21.217 12.343 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 3.792 -18.339 4.766 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 3.557 -18.226 3.818 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 3.747 -19.307 4.911 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 -0.441 -22.415 5.936 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 -0.183 -23.201 5.436 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 -1.230 -22.704 6.449 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 8.115 -16.420 5.448 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 8.632 -15.633 5.161 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 7.852 -16.209 6.369 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 7.221 -16.674 24.308 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 6.247 -16.634 24.185 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 7.347 -16.499 25.265 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 13.492 -14.400 5.755 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 13.653 -15.041 6.480 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 12.755 -13.845 6.083 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 1.758 -21.215 7.053 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 1.415 -20.938 7.924 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 0.977 -21.595 6.600 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 10.713 -18.229 23.155 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 11.543 -18.160 23.665 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 10.038 -18.422 23.838 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 14.167 -18.134 22.991 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 13.833 -17.834 23.865 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 15.053 -18.503 23.184 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 7.451 -28.760 24.873 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 8.098 -28.032 24.888 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 7.844 -29.414 24.263 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 5.383 -13.412 5.733 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 6.117 -13.199 6.355 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 5.824 -13.471 4.860 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 -2.176 -16.427 6.725 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 -1.822 -15.558 6.934 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 -3.085 -16.397 7.042 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 1.642 -14.388 18.335 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 1.093 -13.616 18.079 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 2.555 -14.073 18.226 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 14.539 -24.581 10.087 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 14.816 -23.813 9.553 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 14.650 -24.283 11.013 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 16.969 -23.386 13.356 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 16.031 -23.555 13.110 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 17.468 -24.108 12.910 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 14.385 -24.033 12.782 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 13.496 -24.285 12.451 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 14.302 -24.108 13.765 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 16.572 -19.589 23.471 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 17.403 -19.102 23.509 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 16.824 -20.466 23.105 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 16.479 -22.739 25.242 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 16.794 -22.549 24.336 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 17.230 -23.167 25.670 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 12.137 -24.866 11.473 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 12.832 -25.140 10.846 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 11.429 -24.507 10.901 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 7.952 -16.663 14.060 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 7.624 -17.192 14.813 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 8.504 -15.988 14.472 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 14.784 -22.366 21.254 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 14.234 -21.617 21.592 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 14.591 -22.380 20.284 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 16.648 -29.866 23.469 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 16.640 -30.605 24.107 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 16.168 -29.140 23.940 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 15.237 -27.972 24.763 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 14.502 -28.061 25.403 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 15.318 -27.001 24.629 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 5.663 -11.884 22.227 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 4.865 -11.767 21.674 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 5.997 -10.978 22.354 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 8.313 -9.970 20.267 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 8.642 -10.674 19.658 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 8.888 -10.055 21.058 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 6.276 -12.946 18.061 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 5.315 -12.806 18.130 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 6.558 -13.142 18.985 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 7.977 -12.009 13.538 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 7.386 -12.780 13.640 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 7.938 -11.566 14.410 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 9.202 -14.421 18.806 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 9.679 -15.261 19.013 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 8.554 -14.330 19.529 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 0.555 -12.054 17.439 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 -0.019 -12.340 16.694 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 0.033 -11.380 17.893 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 4.396 -20.996 15.194 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 5.282 -20.736 15.473 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 3.871 -20.982 16.028 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 6.369 -14.234 14.167 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 6.453 -15.083 13.708 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 6.802 -14.389 15.033 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 7.535 -13.270 7.378 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 7.414 -14.209 7.626 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 8.404 -13.039 7.746 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 -1.888 -19.796 30.019 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 -2.647 -20.342 29.710 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 -2.137 -19.536 30.910 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 0.511 -18.845 29.086 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 0.174 -18.288 28.345 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 -0.301 -19.262 29.458 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 11.202 -13.563 31.706 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 10.343 -13.966 31.952 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 11.257 -13.691 30.732 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 -1.181 -18.497 23.932 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 -0.341 -18.033 24.129 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 -1.854 -17.970 24.404 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 13.186 -12.020 32.866 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 12.555 -12.690 32.528 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 13.898 -12.537 33.246 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 7.576 -21.381 25.734 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 7.448 -20.820 24.941 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 7.584 -20.742 26.472 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 8.544 -21.546 18.268 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 8.588 -21.450 19.246 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 8.754 -22.474 18.114 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 3.104 -19.124 28.133 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 3.013 -19.958 27.631 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 2.231 -19.011 28.573 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 11.021 -21.955 22.741 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 10.273 -21.736 22.144 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 11.705 -21.292 22.518 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 6.274 -16.298 29.890 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 6.675 -16.916 29.262 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 5.853 -16.882 30.563 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 12.141 -25.863 24.613 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 12.656 -26.456 25.191 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 12.814 -25.250 24.241 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 4.379 -19.400 25.244 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 4.112 -20.129 25.835 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 3.754 -19.460 24.490 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 1.837 -15.872 32.523 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 1.882 -15.002 32.081 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 2.683 -15.944 32.997 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 6.917 -16.297 27.008 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 7.005 -15.385 27.355 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 5.945 -16.456 26.993 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 7.597 -18.990 27.274 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 7.406 -18.040 27.138 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 6.943 -19.272 27.951 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 12.414 -19.981 26.499 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 13.254 -20.210 26.026 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 12.424 -20.547 27.277 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 6.112 -25.513 24.305 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 6.520 -25.770 25.158 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 5.247 -25.990 24.298 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 5.439 -22.543 28.668 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 5.346 -23.187 29.414 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 5.801 -23.073 27.943 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 8.637 -23.911 25.747 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 9.194 -24.013 24.949 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 8.400 -22.960 25.755 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 1.470 -26.532 27.832 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 2.272 -27.066 27.747 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 1.661 -25.939 28.583 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 5.106 -24.474 30.504 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 5.569 -25.145 31.017 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 4.200 -24.834 30.404 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 8.867 -26.539 29.081 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 9.123 -25.645 29.336 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 8.417 -26.899 29.885 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 3.643 -21.541 26.886 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 4.070 -22.139 26.228 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 4.023 -21.830 27.740 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 2.786 -25.923 30.227 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 3.191 -26.660 29.723 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 2.511 -26.337 31.071 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 5.386 -23.132 25.579 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 6.211 -22.605 25.583 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 5.597 -23.902 25.017 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 10.999 -23.808 19.765 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 10.058 -23.678 20.006 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 11.251 -22.975 19.329 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 13.216 -23.613 23.290 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 13.817 -23.324 22.585 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 12.489 -22.965 23.264 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 5.638 -19.813 29.019 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 4.742 -19.546 28.718 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 5.615 -20.799 28.996 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 3.982 -14.879 28.746 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 4.649 -15.308 29.311 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 3.807 -15.538 28.045 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 2.344 -18.058 31.005 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 1.609 -18.311 30.410 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 1.991 -17.294 31.513 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 9.890 -18.742 25.756 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 10.587 -19.343 26.077 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 9.130 -18.914 26.349 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 10.116 -24.397 23.453 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 10.459 -23.523 23.158 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 10.905 -24.850 23.823 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 6.808 -13.948 28.540 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 7.166 -13.271 29.161 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 6.578 -14.705 29.122 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 5.058 -27.619 31.376 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 4.242 -27.593 31.914 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 4.746 -27.866 30.484 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 -0.435 -17.691 26.827 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 -1.320 -17.370 26.580 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 0.154 -17.323 26.125 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 4.292 -16.990 26.900 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 4.218 -17.282 25.970 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 3.860 -17.714 27.408 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 6.787 -19.372 24.008 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 7.148 -18.470 24.115 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 5.925 -19.344 24.489 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 -2.786 -16.668 25.360 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 -3.515 -16.582 26.013 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 -2.650 -15.750 25.031 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 5.000 -18.262 31.260 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 4.015 -18.291 31.153 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 5.329 -18.910 30.605 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 14.824 -20.537 25.420 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 15.405 -20.071 24.792 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 15.240 -21.418 25.519 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 12.945 -25.767 20.474 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 12.286 -25.107 20.164 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 12.518 -26.191 21.227 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 15.385 -25.292 24.419 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 15.180 -24.402 24.744 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.128 -25.154 23.803 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 -1.052 -27.518 27.446 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 -1.597 -27.069 28.111 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 -0.166 -27.094 27.536 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 10.961 -10.807 31.741 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 10.815 -11.772 31.799 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 11.874 -10.692 32.066 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 6.341 -14.960 33.418 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 5.659 -15.655 33.548 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 6.009 -14.195 33.949 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 8.605 -14.530 31.988 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 8.463 -15.258 31.373 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 7.918 -14.667 32.683 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 4.329 -16.840 33.536 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 3.965 -17.469 34.171 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 4.604 -17.399 32.775 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 2.571 -13.731 30.951 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 3.521 -13.744 31.195 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 2.562 -14.036 30.027 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 2.425 -27.678 32.315 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 2.333 -28.573 31.913 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 1.799 -27.681 33.047 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 0.613 -29.586 26.497 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 -0.016 -28.911 26.823 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 0.451 -29.619 25.538 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 3.873 -28.057 28.876 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 4.542 -28.032 28.149 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 3.428 -28.923 28.756 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 10.520 -29.502 25.429 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 10.542 -29.118 26.335 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 10.008 -30.315 25.528 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 7.388 -26.037 26.774 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 7.881 -26.304 27.577 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 7.871 -25.234 26.455 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 11.289 -12.787 6.339 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 10.769 -12.797 7.174 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 11.481 -11.854 6.192 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 3.735 -9.257 21.766 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 3.098 -8.544 21.509 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 3.493 -10.015 21.191 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 4.899 -12.121 15.378 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 5.714 -11.607 15.524 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 5.180 -12.851 14.794 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 3.597 -11.614 20.372 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 3.613 -11.752 19.402 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 2.944 -12.273 20.696 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 7.433 -11.218 16.193 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 7.557 -10.343 16.633 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 7.106 -11.801 16.912 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 6.990 -7.449 23.986 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 6.750 -7.976 23.187 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 7.931 -7.689 24.153 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 8.086 -5.074 23.066 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 7.621 -5.868 23.394 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 7.384 -4.507 22.738 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 1.994 -7.235 21.374 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 1.075 -7.120 21.067 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 1.967 -6.945 22.313 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 3.442 -12.273 17.689 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 3.927 -12.174 16.833 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 2.534 -11.979 17.482 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 4.553 -8.949 24.399 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 4.258 -9.061 23.465 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 5.316 -8.346 24.336 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 7.826 -8.988 17.700 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 7.931 -9.279 18.629 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 8.065 -8.057 17.716 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 9.906 -10.514 22.469 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 9.610 -11.319 22.963 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 10.767 -10.761 22.115 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 1.437 -6.855 24.013 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 1.718 -7.380 24.781 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 0.463 -6.888 24.042 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 7.030 -13.648 20.635 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 7.489 -14.238 21.270 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 6.571 -12.995 21.209 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 7.969 -10.203 25.478 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 7.226 -10.222 24.860 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 8.644 -9.651 25.022 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 6.427 -9.183 22.025 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 5.528 -9.099 21.640 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 7.002 -9.404 21.255 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 8.195 -12.894 26.251 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 7.756 -13.094 27.096 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 8.179 -11.916 26.194 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 1.802 -13.484 21.163 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 1.086 -13.113 21.728 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 1.331 -13.942 20.448 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 -1.296 -7.027 23.619 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 -1.006 -6.944 22.682 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 -2.137 -6.517 23.655 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 -0.723 -6.942 20.886 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 -0.882 -6.343 20.149 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 -1.491 -7.564 20.862 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 -3.538 -12.580 19.131 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 -3.025 -12.581 19.963 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 -3.099 -13.258 18.580 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 9.226 -12.837 23.693 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 8.936 -13.640 23.219 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 8.900 -12.968 24.609 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 2.638 -9.530 30.465 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 1.711 -9.227 30.570 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 3.167 -8.834 30.917 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 10.835 -8.259 35.381 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 10.435 -7.861 36.160 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 11.774 -8.078 35.476 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 4.320 -7.766 31.605 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 4.839 -7.152 32.164 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 4.929 -7.988 30.871 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 5.043 -10.307 35.654 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 4.405 -9.793 35.105 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.589 -10.426 36.493 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 3.467 -8.684 34.122 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 3.700 -8.546 33.184 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 3.502 -7.790 34.509 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 5.242 -13.416 31.368 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 5.344 -12.538 31.789 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 5.674 -14.031 31.996 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 11.152 -4.307 25.519 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 10.276 -4.252 25.914 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 11.754 -4.132 26.246 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 9.516 -8.355 24.094 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 10.084 -7.574 23.879 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 9.787 -9.035 23.439 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 10.679 -5.979 23.398 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 11.072 -5.359 24.046 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 9.871 -5.521 23.091 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 0.188 -8.283 30.683 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 0.312 -7.726 29.889 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 -0.409 -7.762 31.243 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 5.197 -12.745 34.399 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 5.396 -11.954 34.935 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 4.373 -12.504 33.921 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 6.117 -10.524 31.481 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 6.146 -9.787 30.837 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 6.276 -10.088 32.346 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 5.764 -5.589 28.960 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 6.450 -5.738 28.265 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 6.286 -5.365 29.768 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 7.231 -5.400 31.234 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 6.763 -5.742 32.028 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 8.130 -5.248 31.539 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 0.129 -9.044 27.200 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 -0.054 -8.170 27.609 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 1.010 -8.928 26.774 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 -0.561 -6.706 28.509 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 -1.058 -6.393 29.292 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 -1.073 -6.360 27.747 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 9.275 -9.671 33.604 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 9.851 -10.041 32.905 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 9.896 -9.214 34.210 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 3.455 -6.927 28.009 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 3.029 -6.048 27.926 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 4.294 -6.736 28.465 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 5.995 -6.550 33.385 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 5.403 -6.379 34.144 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 6.339 -7.462 33.549 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 3.909 -6.139 35.186 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 3.397 -5.373 34.895 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 3.815 -6.138 36.147 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 8.188 -9.096 27.953 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 8.888 -9.607 28.415 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 8.113 -9.534 27.077 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 6.210 -8.355 29.699 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 6.275 -7.396 29.546 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 6.866 -8.739 29.075 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 11.002 -13.537 28.964 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 10.720 -12.606 28.881 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 10.987 -13.870 28.061 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 2.510 -8.501 26.053 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 2.888 -7.884 26.729 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 3.229 -8.593 25.381 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 3.100 -11.862 32.911 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 2.637 -11.018 32.970 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 2.604 -12.362 32.234 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 3.487 -4.168 28.057 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 4.327 -4.506 28.424 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 3.610 -3.218 28.016 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 7.522 -6.518 27.128 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 7.352 -6.602 26.181 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 7.915 -7.380 27.378 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 -0.530 -9.947 37.446 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 -1.100 -10.052 38.210 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 -0.847 -10.601 36.820 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 -2.018 -6.430 30.884 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 -2.893 -6.743 30.611 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 -2.204 -5.743 31.536 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 6.672 -9.128 33.766 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 7.641 -9.339 33.751 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 6.328 -9.633 34.532 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 -0.333 -11.036 25.371 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 -0.407 -11.872 25.854 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 -0.121 -10.374 26.066 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 0.056 -12.418 22.999 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 0.092 -13.238 23.562 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 0.058 -11.688 23.650 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 7.878 -12.340 30.434 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 7.253 -11.728 30.887 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 8.148 -12.972 31.136 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 9.825 -10.969 29.195 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 9.069 -11.470 29.577 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 10.325 -10.662 29.980 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 15.389 -47.515 -14.411 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 15.323 -46.651 -14.875 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 15.617 -47.268 -13.489 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 19.442 -56.554 -4.854 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 19.983 -55.819 -4.552 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 20.092 -57.262 -5.053 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 20.455 -53.715 -2.287 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 20.458 -54.372 -1.560 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 20.325 -52.856 -1.826 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 19.037 -52.980 -4.613 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 19.631 -53.257 -3.887 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 18.936 -52.011 -4.482 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 21.695 -58.024 -5.258 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 22.428 -57.370 -5.334 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 22.126 -58.874 -5.366 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 22.957 -54.572 -3.156 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 22.053 -54.288 -2.913 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 23.397 -53.738 -3.452 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 18.846 -53.714 1.875 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 18.279 -53.027 1.437 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 19.157 -54.273 1.142 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 17.101 -52.790 -6.712 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 17.973 -52.660 -6.303 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 16.868 -53.707 -6.482 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 22.472 -49.661 -4.525 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 22.530 -49.041 -5.284 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 23.357 -49.613 -4.112 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 23.681 -56.157 -5.273 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 24.112 -55.533 -5.863 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 23.458 -55.623 -4.480 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 20.828 -55.013 0.106 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 21.351 -54.368 0.612 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 21.487 -55.684 -0.183 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 22.812 -56.498 -1.168 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 22.977 -55.835 -1.871 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 23.298 -57.275 -1.458 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 20.963 -49.099 5.247 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 21.236 -49.523 4.402 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 21.484 -48.277 5.279 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 20.011 -60.479 1.614 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 20.622 -59.740 1.694 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 19.978 -60.863 2.519 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 16.287 -51.164 3.808 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 17.001 -51.826 3.909 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 16.064 -51.196 2.848 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 17.148 -55.085 -5.188 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 17.722 -54.358 -4.884 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 17.749 -55.861 -5.216 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 19.582 -61.553 4.073 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 19.883 -61.791 4.956 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 18.786 -62.089 3.939 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 23.112 -47.951 -6.726 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 23.489 -48.369 -7.528 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 23.033 -47.011 -6.964 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 21.321 -52.510 1.595 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 20.998 -52.121 0.754 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 20.520 -52.890 2.002 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 23.592 -48.879 -9.314 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 24.039 -49.075 -10.142 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 22.723 -48.535 -9.583 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 15.509 -48.250 -7.990 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 16.147 -48.239 -8.727 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 15.595 -49.151 -7.610 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 17.936 -53.323 4.437 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 17.502 -54.165 4.703 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 18.369 -53.539 3.580 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 16.295 -55.357 5.277 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 15.925 -56.062 5.841 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 15.750 -54.572 5.485 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 16.874 -60.658 3.618 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 17.758 -60.276 3.521 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 16.430 -60.075 4.281 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 12.855 -62.766 3.799 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 13.767 -62.814 3.427 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 12.461 -63.618 3.569 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 18.171 -61.760 0.108 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 18.820 -61.242 0.647 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 18.448 -61.607 -0.803 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 21.803 -50.050 2.788 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 21.564 -49.575 1.964 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 21.742 -50.997 2.541 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 23.790 -52.194 -4.094 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 24.395 -51.513 -3.740 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 23.053 -51.682 -4.464 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 24.955 -49.804 -3.297 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 25.813 -49.434 -3.523 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 24.716 -49.359 -2.448 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 16.188 -46.346 -12.059 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 15.400 -45.778 -11.841 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 16.880 -45.707 -12.307 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 15.927 -49.791 -12.702 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 15.058 -50.127 -12.446 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 15.742 -49.193 -13.446 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 14.908 -52.932 5.660 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 14.131 -52.337 5.797 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 15.497 -52.415 5.080 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 14.990 -57.155 6.951 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 15.354 -56.940 7.836 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 14.053 -56.899 7.011 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 15.407 -56.134 9.532 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 15.104 -55.335 9.046 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 15.747 -55.787 10.373 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 18.427 -51.489 6.558 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 18.239 -52.213 5.926 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 19.171 -51.019 6.162 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 15.450 -62.868 2.888 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 15.927 -62.093 3.259 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 16.169 -63.484 2.625 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 14.750 -51.988 9.237 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 14.039 -51.319 9.208 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 15.572 -51.467 9.119 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 15.594 -48.328 10.074 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 15.155 -48.030 9.257 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 16.155 -49.068 9.784 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 14.241 -48.255 7.629 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 14.923 -48.508 6.960 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 13.836 -49.103 7.889 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 17.097 -50.541 8.858 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 17.421 -50.791 7.962 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 17.863 -50.665 9.426 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 18.616 -45.135 -12.623 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 18.639 -45.381 -13.578 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 18.939 -45.939 -12.159 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 15.492 -37.187 -12.049 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 16.325 -37.556 -12.429 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 15.081 -36.702 -12.791 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 17.785 -38.566 -12.561 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 18.741 -38.598 -12.469 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 17.478 -39.427 -12.191 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 20.681 -44.621 -10.308 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 20.049 -45.365 -10.300 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 20.640 -44.288 -11.214 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 16.925 -40.862 -11.382 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 16.018 -41.041 -11.704 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 17.270 -41.758 -11.146 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 18.344 -46.010 -15.231 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 18.038 -45.546 -16.035 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 18.075 -46.925 -15.370 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 19.237 -47.053 -10.769 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 18.438 -47.594 -10.609 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 19.906 -47.428 -10.151 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 16.776 -48.468 -10.473 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 16.703 -49.170 -11.158 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 16.459 -47.658 -10.934 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 14.469 -36.578 -2.228 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 14.197 -35.969 -1.518 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 14.407 -37.470 -1.796 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 22.244 -36.844 -1.624 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 21.519 -37.456 -1.876 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 22.419 -36.337 -2.446 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 23.438 -40.486 -2.917 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 24.383 -40.660 -2.960 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 23.337 -39.902 -2.139 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 21.201 -37.826 -5.724 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 20.682 -37.747 -6.547 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 21.599 -38.730 -5.777 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 22.303 -40.312 -5.514 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 22.171 -41.238 -5.771 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 22.688 -40.365 -4.615 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 14.033 -35.061 -4.543 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 14.007 -35.692 -3.788 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 14.988 -34.982 -4.753 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 19.949 -51.625 -0.596 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 20.124 -50.801 -1.103 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 19.100 -51.451 -0.134 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 16.704 -37.453 -3.467 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 15.896 -37.091 -3.026 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 17.021 -38.129 -2.852 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 24.782 -35.487 -5.253 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 25.237 -35.898 -5.991 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 25.479 -34.949 -4.810 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 20.526 -41.269 -1.742 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 20.771 -40.372 -2.045 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 19.893 -41.577 -2.411 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 20.045 -42.733 3.363 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 19.233 -43.137 3.689 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 19.889 -42.632 2.391 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 18.876 -40.425 -4.150 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 18.549 -41.323 -3.945 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 18.804 -40.364 -5.121 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 23.680 -34.962 0.217 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 23.257 -35.635 -0.352 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 23.093 -34.896 0.986 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 20.832 -31.156 -5.558 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 21.665 -31.107 -6.033 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 20.942 -31.925 -4.958 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 24.248 -48.445 -1.064 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 24.474 -48.332 -0.125 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 23.301 -48.254 -1.102 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 19.598 -42.467 0.702 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 19.779 -43.394 0.408 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 19.736 -41.934 -0.100 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 20.783 -42.061 -9.154 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 21.237 -42.216 -8.307 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 20.668 -42.955 -9.529 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 21.699 -43.160 -6.590 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 20.709 -43.174 -6.550 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 21.974 -43.235 -5.649 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 19.993 -37.695 -8.320 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 20.818 -37.518 -8.783 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 19.640 -38.503 -8.758 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 19.059 -39.994 -9.563 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 19.706 -40.744 -9.509 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 18.359 -40.326 -10.157 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 22.184 -45.471 -8.075 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 22.161 -44.706 -7.461 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 21.878 -45.099 -8.926 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 22.115 -42.990 -3.905 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 22.279 -42.212 -3.344 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 21.860 -43.681 -3.282 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 28.186 -30.233 2.246 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 27.297 -29.806 2.186 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 28.782 -29.594 1.843 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 20.641 -38.678 -3.055 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 20.918 -38.223 -3.872 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 19.876 -39.230 -3.342 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 23.746 -40.119 4.758 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 23.140 -40.493 4.088 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 24.556 -40.676 4.684 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 26.113 -34.479 1.742 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 26.646 -33.847 1.221 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 25.410 -34.762 1.131 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 22.292 -35.799 -4.188 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 23.205 -35.678 -4.545 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 21.886 -36.462 -4.792 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 16.007 -36.891 -9.329 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 15.570 -37.702 -8.996 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 15.961 -36.978 -10.305 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 21.359 -33.235 -3.756 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 20.683 -33.410 -3.082 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 21.727 -34.125 -3.962 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 16.963 -38.388 -6.016 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 17.229 -37.546 -6.434 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 16.815 -38.151 -5.075 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 22.573 -41.760 0.079 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 23.035 -40.927 -0.134 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 21.811 -41.772 -0.537 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 21.024 -47.804 -8.889 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 21.391 -46.964 -8.527 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 21.116 -48.433 -8.159 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 18.197 -40.537 -6.932 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 17.674 -39.749 -6.638 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 18.537 -40.281 -7.812 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 16.779 -35.116 -4.980 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 16.938 -35.904 -4.421 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 17.205 -35.338 -5.835 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 28.156 -32.925 6.071 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 28.031 -33.832 6.380 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 28.967 -32.618 6.554 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 23.200 -38.446 2.328 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 22.633 -39.238 2.469 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 23.837 -38.482 3.058 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 22.037 -40.902 2.681 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 22.226 -41.278 1.796 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 21.321 -41.471 3.032 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 22.388 -44.336 1.280 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 22.615 -43.468 0.891 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 21.639 -44.660 0.718 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 21.503 -48.703 0.373 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 21.379 -49.149 -0.490 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 20.745 -48.057 0.418 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 23.284 -39.084 -0.411 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 23.017 -38.243 -0.841 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 23.336 -38.855 0.542 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 20.594 -46.229 2.743 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 20.161 -46.628 1.945 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 21.140 -45.510 2.375 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 23.695 -48.098 1.797 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 22.892 -48.119 1.229 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 23.566 -48.837 2.411 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 25.915 -41.751 4.544 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 26.865 -41.808 4.418 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 25.648 -42.669 4.777 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 18.237 -46.735 4.082 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 19.142 -46.618 3.723 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 18.378 -47.112 4.976 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 23.821 -45.746 3.191 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 23.438 -45.129 2.526 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 23.941 -46.585 2.691 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 25.309 -44.348 5.064 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 24.860 -44.806 4.322 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 25.037 -44.840 5.844 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 12.113 -36.974 -10.657 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 12.603 -37.778 -10.931 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 12.719 -36.529 -10.029 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 17.964 -32.016 -3.456 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 18.490 -32.209 -2.655 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 17.487 -32.839 -3.632 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 22.889 -35.930 3.649 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 23.003 -36.650 3.001 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 22.253 -36.300 4.306 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 27.849 -32.549 0.717 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 28.777 -32.801 0.761 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 27.784 -31.774 1.317 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 26.607 -32.941 -1.725 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 27.121 -32.802 -0.906 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 25.696 -32.687 -1.479 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 26.886 -34.067 -4.186 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 26.719 -33.698 -3.286 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 27.794 -33.819 -4.375 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 17.581 -43.376 -10.836 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 17.981 -43.939 -11.533 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 17.196 -44.002 -10.217 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 20.861 -49.486 -2.157 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 20.327 -48.682 -2.355 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 21.314 -49.684 -3.004 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 17.847 -36.189 -7.365 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 18.690 -36.572 -7.687 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 17.235 -36.287 -8.126 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 19.045 -43.067 -6.467 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 18.228 -43.569 -6.280 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 18.725 -42.168 -6.696 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.910 -46.453 5.073 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 21.289 -46.479 4.309 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 22.780 -46.274 4.660 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 20.820 -39.580 15.808 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 20.626 -40.277 16.460 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 20.369 -38.788 16.160 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 19.485 -42.489 13.369 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 18.810 -42.140 14.001 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 19.216 -42.109 12.510 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 18.587 -41.107 11.185 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 17.767 -41.065 11.754 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 18.734 -40.191 10.922 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 17.861 -43.447 16.566 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 17.968 -44.321 16.129 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 17.709 -42.821 15.818 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 23.346 -35.029 18.950 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 24.113 -34.454 18.730 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 22.930 -35.202 18.091 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 19.057 -35.662 18.518 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 19.582 -35.187 17.841 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 19.301 -35.230 19.355 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 21.788 -40.171 10.609 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 21.323 -41.002 10.388 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 21.651 -40.075 11.586 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 23.078 -34.043 13.293 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 22.869 -34.764 12.653 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 22.363 -33.379 13.145 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 18.571 -38.241 13.822 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 19.027 -39.078 13.645 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 18.940 -37.944 14.683 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 22.573 -36.841 20.973 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 21.629 -36.638 20.977 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 22.941 -36.254 20.282 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 25.411 -33.525 11.826 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 24.653 -33.690 12.419 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 25.133 -32.761 11.289 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 17.087 -34.797 21.279 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 17.998 -34.644 20.961 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 17.056 -34.326 22.146 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 24.238 -41.012 9.647 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 23.408 -40.627 10.002 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 24.924 -40.676 10.232 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 19.406 -37.218 16.249 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 19.908 -36.402 16.036 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 19.057 -37.048 17.146 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 24.853 -31.736 9.704 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 24.851 -32.611 9.254 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 25.568 -31.249 9.267 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 30.288 -32.247 7.600 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 30.228 -32.989 8.247 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 30.800 -31.577 8.059 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 29.939 -34.191 9.431 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 28.967 -34.210 9.604 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 30.318 -34.667 10.173 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 19.313 -37.867 21.737 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 18.463 -38.331 21.805 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 19.957 -38.580 21.520 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 18.122 -45.829 15.218 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 18.764 -45.662 14.483 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 18.412 -46.664 15.599 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 17.341 -40.284 17.245 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 17.369 -40.738 16.371 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 16.962 -40.942 17.845 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 20.494 -42.649 10.112 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 20.453 -43.559 10.479 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 19.681 -42.211 10.462 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 19.708 -41.610 17.575 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 19.009 -40.928 17.595 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 19.257 -42.402 17.219 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 20.385 -46.341 7.784 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 20.998 -46.287 7.032 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 19.958 -45.456 7.809 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 23.082 -43.576 9.649 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 22.245 -43.080 9.666 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 23.765 -42.886 9.562 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 21.150 -45.320 10.648 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 22.011 -44.929 10.383 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 20.938 -45.939 9.927 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 21.255 -43.739 5.655 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 21.635 -44.586 5.370 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 21.016 -43.290 4.820 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 23.060 -38.700 22.868 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 22.825 -37.991 22.218 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 24.016 -38.638 22.944 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 19.785 -45.220 13.160 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 20.295 -45.382 12.340 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 19.815 -44.245 13.272 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 21.172 -40.297 13.224 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 21.251 -39.907 14.124 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 20.772 -41.175 13.382 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 17.135 -36.035 12.904 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 17.365 -35.339 12.262 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 17.960 -36.549 13.011 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 21.007 -39.966 21.428 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 21.155 -40.751 20.849 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 21.890 -39.760 21.786 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 22.741 -35.858 11.285 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 23.622 -35.862 10.898 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 22.217 -36.439 10.697 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 25.179 -33.112 18.277 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 24.706 -32.311 18.601 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 26.100 -32.948 18.502 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 22.440 -28.773 11.944 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 22.994 -27.995 12.165 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 22.080 -29.058 12.804 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 18.430 -43.427 20.796 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 18.019 -44.184 21.270 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 17.780 -43.202 20.098 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 24.187 -34.507 5.729 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 23.931 -34.886 4.866 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 23.913 -35.188 6.375 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 23.690 -36.464 7.746 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 22.957 -36.566 8.378 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 23.874 -37.384 7.451 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 27.294 -34.278 9.988 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 26.836 -34.074 10.831 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 26.571 -34.301 9.329 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 16.244 -45.594 13.132 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 16.900 -45.253 12.515 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 16.723 -45.660 13.977 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 25.086 -34.161 8.367 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 25.025 -33.820 7.455 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 24.645 -35.036 8.321 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 18.821 -40.401 24.989 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 19.748 -40.103 25.125 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 18.825 -40.777 24.081 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 21.122 -37.211 5.274 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 21.141 -38.171 5.330 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 20.222 -36.969 5.575 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 26.419 -32.754 3.824 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 26.346 -33.552 3.255 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 27.121 -32.975 4.458 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 21.453 -39.621 25.004 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 22.155 -39.844 25.620 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 21.924 -39.267 24.221 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 21.755 -37.645 9.374 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 21.491 -37.916 8.486 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 21.828 -38.489 9.868 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 20.812 -42.243 20.008 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 20.560 -42.030 19.085 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 20.109 -42.848 20.313 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 23.662 -39.228 7.354 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 23.679 -39.534 6.417 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 23.936 -40.009 7.864 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 16.503 -41.902 25.205 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 17.298 -41.341 25.313 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 15.887 -41.347 24.686 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 16.582 -42.779 18.835 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 15.674 -42.624 18.490 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 17.071 -43.156 18.063 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 15.498 -36.138 24.684 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 16.208 -36.805 24.846 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 14.911 -36.217 25.469 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 20.574 -34.712 16.369 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 20.167 -33.900 15.975 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 21.534 -34.578 16.242 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 23.268 -34.098 16.043 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 23.288 -34.151 15.056 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 24.194 -33.950 16.293 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 19.554 -43.742 7.726 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 19.908 -43.204 8.454 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 20.177 -43.581 6.981 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 16.128 -49.169 5.882 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 17.049 -48.926 6.099 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 16.214 -49.942 5.293 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 18.719 -48.124 6.409 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 19.500 -48.608 6.059 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 19.086 -47.572 7.129 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 25.596 -31.826 6.495 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 25.089 -32.335 5.838 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 26.522 -32.093 6.336 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 16.086 -36.984 28.158 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 16.435 -37.758 27.715 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 15.241 -36.808 27.707 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 20.094 -35.589 22.931 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 20.062 -35.742 23.880 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 19.799 -36.444 22.538 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 17.350 -38.083 24.718 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 17.921 -38.780 25.100 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 17.204 -38.376 23.802 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 16.202 -31.770 25.511 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 16.639 -31.437 26.302 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 15.339 -32.113 25.840 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 16.566 -33.827 23.715 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 16.518 -33.043 24.303 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 16.285 -34.572 24.286 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 21.735 -20.730 -0.888 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 21.654 -19.803 -1.180 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 21.822 -20.666 0.085 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 15.531 -21.350 -2.545 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 16.034 -21.656 -1.764 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 15.300 -20.425 -2.333 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 19.150 -21.036 -3.407 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 19.441 -21.715 -2.772 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 18.496 -21.500 -3.971 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 19.118 -28.079 -3.781 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 18.857 -28.793 -4.406 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 19.913 -28.432 -3.329 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 17.174 -24.997 -1.613 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 17.156 -25.943 -1.374 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 17.681 -24.975 -2.448 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 20.578 -25.409 -1.848 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 19.935 -25.309 -2.585 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 20.809 -26.351 -1.863 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 18.683 -25.381 -3.897 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 18.104 -25.094 -4.630 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 18.821 -26.340 -4.060 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 23.215 -20.392 4.205 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 22.816 -19.494 4.288 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 24.157 -20.221 4.108 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 22.270 -31.164 -2.193 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 22.206 -31.759 -2.967 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 22.911 -31.616 -1.596 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 21.632 -20.629 1.867 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 22.164 -20.689 2.686 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 21.040 -21.410 1.907 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 22.297 -17.814 3.994 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 22.118 -16.934 4.343 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 21.947 -17.785 3.079 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 21.271 -17.962 -1.142 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 21.148 -17.906 -0.165 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 21.818 -17.199 -1.355 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 18.849 -17.286 3.232 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 18.885 -17.100 4.195 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 18.033 -16.833 2.932 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 24.157 -32.358 -0.611 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 23.961 -33.305 -0.438 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 24.411 -32.002 0.273 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 24.871 -31.577 1.893 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 25.378 -31.991 2.627 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 25.072 -30.624 1.978 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 19.925 -22.690 -1.325 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 20.696 -22.071 -1.265 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 20.327 -23.554 -1.549 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 19.932 -22.837 1.469 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 19.792 -22.710 0.511 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 19.028 -22.820 1.846 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 15.827 -27.080 -3.969 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 14.914 -27.368 -3.735 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 16.346 -27.273 -3.163 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 14.282 -25.103 -11.066 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 15.067 -24.606 -11.317 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 13.978 -25.509 -11.906 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 16.951 -22.039 -4.732 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 16.337 -21.856 -3.979 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 16.805 -22.982 -4.935 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 19.864 -20.855 4.776 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 19.433 -20.701 3.908 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 19.927 -19.976 5.166 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 24.420 -24.929 1.582 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 23.511 -24.971 1.195 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 24.774 -24.097 1.257 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 20.964 -17.970 1.561 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 20.137 -17.729 2.035 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 21.019 -18.948 1.655 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 18.790 -29.922 -0.276 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 18.740 -30.792 -0.709 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.936 -30.137 0.673 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 16.310 -16.163 3.002 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 15.915 -15.263 2.995 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 16.090 -16.511 3.893 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 21.890 -24.715 0.590 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 21.246 -24.129 1.033 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 21.433 -25.000 -0.224 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 20.600 -25.072 5.455 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 21.020 -24.184 5.454 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 21.342 -25.683 5.449 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 24.280 -29.109 -0.261 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 23.523 -28.584 -0.550 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 24.185 -29.945 -0.737 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 25.092 -26.775 3.450 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 24.988 -26.107 2.728 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 24.209 -26.843 3.833 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 25.811 -28.990 1.984 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 25.310 -28.901 1.136 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 25.583 -28.178 2.482 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 28.714 -28.060 6.542 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 28.649 -28.904 6.031 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 29.637 -27.805 6.457 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 18.882 -18.564 -2.406 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 19.743 -18.279 -2.034 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 19.058 -19.478 -2.738 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 17.415 -27.775 -1.668 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 18.054 -27.869 -2.406 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 17.673 -28.480 -1.042 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 17.240 -22.470 -0.658 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 18.172 -22.368 -0.938 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 17.010 -23.389 -0.936 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 16.248 -28.261 -6.435 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 16.086 -27.916 -5.532 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 16.922 -28.961 -6.303 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 18.623 -16.952 5.953 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 17.639 -16.955 5.951 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 18.861 -17.474 6.736 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 19.844 -32.318 -1.400 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 20.587 -31.814 -1.785 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 20.131 -32.489 -0.474 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 18.269 -30.112 -5.421 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 19.153 -30.455 -5.680 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 17.956 -30.754 -4.746 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 20.921 -28.809 -1.797 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 20.236 -29.126 -1.172 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 21.482 -29.600 -1.957 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 28.504 -30.305 5.015 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 28.402 -31.222 5.324 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 28.348 -30.360 4.050 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 15.746 -21.997 16.527 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 16.467 -22.659 16.528 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 16.155 -21.203 16.113 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 17.293 -20.132 15.268 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 17.852 -20.526 14.575 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 17.533 -19.201 15.264 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 19.420 -27.809 12.695 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 19.173 -28.554 12.130 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 20.059 -28.189 13.323 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 17.717 -23.849 15.992 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 18.661 -23.608 15.897 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 17.348 -23.725 15.091 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 20.166 -23.065 14.929 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 20.302 -23.764 14.273 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 19.831 -22.306 14.405 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 11.653 -16.821 9.922 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 12.153 -15.997 10.113 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 10.849 -16.746 10.467 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 21.046 -32.257 12.968 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 20.495 -32.405 13.772 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 21.134 -31.301 12.919 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 22.734 -24.436 10.967 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 21.932 -23.921 11.195 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 22.889 -24.233 10.023 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 20.376 -23.092 11.532 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 19.965 -22.412 12.098 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 19.786 -23.870 11.631 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 25.915 -29.500 7.885 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 25.870 -30.309 7.327 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 25.956 -28.765 7.234 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 23.435 -25.621 15.233 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 23.055 -24.804 15.635 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 24.333 -25.656 15.579 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 22.312 -26.708 9.383 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 22.407 -26.274 10.247 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 22.294 -25.969 8.750 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 22.450 -23.360 16.409 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 22.577 -22.571 16.944 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 21.591 -23.211 15.958 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 23.800 -26.428 12.583 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 23.638 -26.171 13.514 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 23.523 -25.641 12.066 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 18.643 -25.191 12.173 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 18.272 -25.238 11.257 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 18.938 -26.113 12.361 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 22.668 -24.218 8.044 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 23.244 -24.699 7.408 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 22.231 -23.541 7.498 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 21.227 -29.495 14.371 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 20.339 -29.743 14.745 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 21.854 -30.094 14.845 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 22.086 -27.735 16.430 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 22.543 -26.980 16.014 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 21.774 -28.268 15.677 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 26.082 -27.504 5.990 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 27.050 -27.544 6.162 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 26.014 -27.417 5.019 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 19.579 -30.210 18.223 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 19.115 -30.993 18.611 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 19.511 -30.350 17.249 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 18.829 -21.396 13.154 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 18.029 -21.969 13.094 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 18.759 -20.799 12.368 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 27.755 -28.075 9.382 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 27.119 -28.707 8.998 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 28.343 -27.859 8.647 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 24.100 -25.539 6.109 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 24.707 -26.293 6.271 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 24.610 -24.946 5.547 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 25.301 -27.959 10.724 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 25.061 -27.363 11.456 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 26.257 -27.806 10.590 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 19.030 -19.954 10.850 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 19.918 -20.242 10.561 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 18.745 -19.340 10.158 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 20.158 -18.783 8.300 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 20.600 -19.596 8.598 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 20.872 -18.141 8.223 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 21.382 -21.026 9.928 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 22.333 -21.126 10.050 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 21.004 -21.848 10.310 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 21.814 -22.586 5.587 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 22.514 -22.077 5.142 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 20.990 -22.095 5.365 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 20.276 -28.705 21.014 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 20.097 -29.652 21.040 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 21.021 -28.621 20.390 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 22.013 -29.132 18.782 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 22.166 -28.524 18.022 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 21.192 -29.614 18.535 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 23.914 -30.969 19.479 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 23.255 -30.376 19.043 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 24.293 -30.422 20.177 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 18.195 -27.582 22.490 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 18.999 -27.983 22.105 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 17.683 -28.346 22.822 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 22.092 -32.957 20.281 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 22.540 -33.733 19.889 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 22.675 -32.210 20.059 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 18.981 -14.106 6.167 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 18.365 -13.720 5.542 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 18.868 -15.064 6.058 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 14.240 -24.076 15.439 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 14.304 -24.639 16.237 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 14.600 -23.215 15.727 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 17.432 -24.974 22.548 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 17.832 -25.870 22.665 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 16.785 -25.098 21.818 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 14.875 -25.019 17.914 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 14.385 -24.203 18.154 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 15.317 -25.277 18.745 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 22.216 -31.472 15.952 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 21.284 -31.767 15.818 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 22.700 -32.295 16.124 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 18.179 -32.211 19.386 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 17.306 -32.369 19.758 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 18.746 -32.886 19.811 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 19.695 -34.080 20.744 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 20.530 -33.567 20.595 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 19.860 -34.560 21.594 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 13.145 -28.037 26.569 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 12.223 -27.926 26.855 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 13.439 -28.851 27.033 1.00 0.00 WAT1 END