REMARK FILENAME="/farm/data/gliu/projects/HR5537/cns/calc18mod1_hb1/refinedPD" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -43.8305, 89.0536, 128.671, 51.1433, 620.781, -463.452, -474.576, 2.90233, 1.64557 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.57654E-03,0.475781,1.17487,42.5825,3.740389E-03,0.39628 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 36, 11 REMARK =============================================================== REMARK DATE:19-Jun-2009 21:48:10 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 15.957 5.494 -21.625 1.00 75.01 ATOM 2 CB MET 1 15.382 7.420 -22.400 1.00 34.22 ATOM 3 HB1 MET 1 15.053 6.977 -23.330 1.00 37.59 ATOM 4 HB2 MET 1 15.869 8.360 -22.615 1.00 64.21 ATOM 5 CG MET 1 14.151 7.709 -21.550 1.00 70.15 ATOM 6 HG1 MET 1 14.468 8.170 -20.625 1.00 37.59 ATOM 7 HG2 MET 1 13.652 6.775 -21.332 1.00 43.40 ATOM 8 SD MET 1 12.980 8.809 -22.374 1.00 21.30 ATOM 9 CE MET 1 12.444 7.782 -23.742 1.00 24.12 ATOM 10 HE1 MET 1 13.291 7.538 -24.365 1.00 74.33 ATOM 11 HE2 MET 1 11.712 8.316 -24.326 1.00 50.10 ATOM 12 HE3 MET 1 12.005 6.871 -23.358 1.00 44.50 ATOM 13 C MET 1 17.648 6.358 -22.625 1.00 44.02 ATOM 14 O MET 1 18.733 6.804 -22.249 1.00 43.23 ATOM 15 N MET 1 16.757 6.979 -20.383 1.00 1.32 ATOM 16 HT1 MET 1 15.909 7.022 -19.778 1.00 37.59 ATOM 17 HT2 MET 1 17.167 7.934 -20.451 1.00 37.59 ATOM 18 HT3 MET 1 17.455 6.351 -19.934 1.00 37.59 ATOM 19 CA MET 1 16.400 6.474 -21.736 1.00 3.40 ATOM 20 N GLY 2 17.487 5.746 -23.796 1.00 34.15 ATOM 21 HN GLY 2 16.628 5.316 -23.994 1.00 37.59 ATOM 22 CA GLY 2 18.560 5.702 -24.785 1.00 21.03 ATOM 23 HA1 GLY 2 18.890 6.715 -24.974 1.00 37.59 ATOM 24 HA2 GLY 2 18.159 5.300 -25.702 1.00 41.35 ATOM 25 C GLY 2 19.773 4.858 -24.386 1.00 54.32 ATOM 26 O GLY 2 19.644 3.683 -24.041 1.00 10.21 ATOM 27 N HIS 3 20.954 5.476 -24.412 1.00 51.13 ATOM 28 HN HIS 3 20.970 6.451 -24.527 1.00 37.59 ATOM 29 CA HIS 3 22.233 4.758 -24.276 1.00 62.43 ATOM 30 HA HIS 3 22.142 3.825 -24.813 1.00 34.54 ATOM 31 CB HIS 3 23.336 5.601 -24.946 1.00 43.31 ATOM 32 HB1 HIS 3 23.432 6.537 -24.413 1.00 37.59 ATOM 33 HB2 HIS 3 23.044 5.811 -25.966 1.00 50.14 ATOM 34 CG HIS 3 24.692 4.955 -24.988 1.00 50.42 ATOM 35 ND1 HIS 3 25.768 5.421 -24.266 1.00 34.43 ATOM 36 HD1 HIS 3 25.762 6.198 -23.667 1.00 35.42 ATOM 37 CD2 HIS 3 25.148 3.882 -25.678 1.00 20.34 ATOM 38 HD2 HIS 3 24.575 3.264 -26.354 1.00 25.24 ATOM 39 CE1 HIS 3 26.821 4.670 -24.507 1.00 1.54 ATOM 40 HE1 HIS 3 27.802 4.802 -24.075 1.00 2.53 ATOM 41 NE2 HIS 3 26.475 3.726 -25.359 1.00 34.21 ATOM 42 HE2 HIS 3 27.113 3.191 -25.878 1.00 37.59 ATOM 43 C HIS 3 22.597 4.441 -22.804 1.00 63.25 ATOM 44 O HIS 3 23.755 4.552 -22.399 1.00 14.13 ATOM 45 N HIS 4 21.622 3.997 -22.014 1.00 42.12 ATOM 46 HN HIS 4 20.712 3.913 -22.375 1.00 37.59 ATOM 47 CA HIS 4 21.877 3.641 -20.611 1.00 53.03 ATOM 48 HA HIS 4 22.578 4.368 -20.215 1.00 4.35 ATOM 49 CB HIS 4 20.574 3.725 -19.796 1.00 51.34 ATOM 50 HB1 HIS 4 19.867 3.009 -20.189 1.00 37.59 ATOM 51 HB2 HIS 4 20.161 4.718 -19.895 1.00 22.13 ATOM 52 CG HIS 4 20.740 3.450 -18.329 1.00 53.32 ATOM 53 ND1 HIS 4 19.833 2.719 -17.591 1.00 44.34 ATOM 54 HD1 HIS 4 19.001 2.321 -17.935 1.00 32.20 ATOM 55 CD2 HIS 4 21.711 3.819 -17.458 1.00 51.22 ATOM 56 HD2 HIS 4 22.588 4.406 -17.689 1.00 4.42 ATOM 57 CE1 HIS 4 20.235 2.651 -16.339 1.00 44.53 ATOM 58 HE1 HIS 4 19.724 2.139 -15.537 1.00 42.15 ATOM 59 NE2 HIS 4 21.371 3.307 -16.233 1.00 54.31 ATOM 60 HE2 HIS 4 21.890 3.415 -15.405 1.00 37.59 ATOM 61 C HIS 4 22.518 2.238 -20.492 1.00 4.44 ATOM 62 O HIS 4 21.936 1.320 -19.918 1.00 21.41 ATOM 63 N HIS 5 23.727 2.093 -21.050 1.00 20.42 ATOM 64 HN HIS 5 24.104 2.853 -21.547 1.00 37.59 ATOM 65 CA HIS 5 24.524 0.851 -20.959 1.00 73.52 ATOM 66 HA HIS 5 25.451 1.037 -21.482 1.00 21.24 ATOM 67 CB HIS 5 24.859 0.541 -19.492 1.00 41.24 ATOM 68 HB1 HIS 5 25.529 -0.307 -19.455 1.00 37.59 ATOM 69 HB2 HIS 5 23.949 0.297 -18.964 1.00 41.45 ATOM 70 CG HIS 5 25.522 1.688 -18.778 1.00 42.32 ATOM 71 ND1 HIS 5 26.839 2.042 -18.975 1.00 52.15 ATOM 72 HD1 HIS 5 27.480 1.573 -19.553 1.00 64.21 ATOM 73 CD2 HIS 5 25.030 2.585 -17.890 1.00 34.12 ATOM 74 HD2 HIS 5 24.025 2.612 -17.498 1.00 33.45 ATOM 75 CE1 HIS 5 27.127 3.100 -18.244 1.00 34.24 ATOM 76 HE1 HIS 5 28.087 3.593 -18.199 1.00 52.12 ATOM 77 NE2 HIS 5 26.047 3.451 -17.578 1.00 31.13 ATOM 78 HE2 HIS 5 25.929 4.313 -17.123 1.00 37.59 ATOM 79 C HIS 5 23.839 -0.365 -21.630 1.00 44.34 ATOM 80 O HIS 5 24.283 -0.828 -22.680 1.00 51.11 ATOM 81 N HIS 6 22.787 -0.893 -20.994 1.00 70.24 ATOM 82 HN HIS 6 22.529 -0.515 -20.125 1.00 37.59 ATOM 83 CA HIS 6 21.983 -2.013 -21.537 1.00 31.41 ATOM 84 HA HIS 6 21.112 -2.094 -20.904 1.00 2.10 ATOM 85 CB HIS 6 21.499 -1.714 -22.966 1.00 5.35 ATOM 86 HB1 HIS 6 21.108 -2.622 -23.405 1.00 37.59 ATOM 87 HB2 HIS 6 22.335 -1.370 -23.557 1.00 23.40 ATOM 88 CG HIS 6 20.428 -0.673 -23.045 1.00 51.21 ATOM 89 ND1 HIS 6 19.114 -0.926 -22.721 1.00 32.11 ATOM 90 HD1 HIS 6 18.754 -1.785 -22.409 1.00 32.24 ATOM 91 CD2 HIS 6 20.473 0.625 -23.427 1.00 12.12 ATOM 92 HD2 HIS 6 21.349 1.169 -23.750 1.00 50.14 ATOM 93 CE1 HIS 6 18.399 0.165 -22.901 1.00 43.34 ATOM 94 HE1 HIS 6 17.340 0.262 -22.724 1.00 33.31 ATOM 95 NE2 HIS 6 19.197 1.122 -23.329 1.00 30.42 ATOM 96 HE2 HIS 6 18.888 1.960 -23.741 1.00 37.59 ATOM 97 C HIS 6 22.696 -3.385 -21.512 1.00 74.22 ATOM 98 O HIS 6 22.056 -4.409 -21.757 1.00 74.45 ATOM 99 N HIS 7 23.998 -3.429 -21.227 1.00 3.54 ATOM 100 HN HIS 7 24.477 -2.599 -21.044 1.00 37.59 ATOM 101 CA HIS 7 24.722 -4.714 -21.204 1.00 53.45 ATOM 102 HA HIS 7 24.405 -5.268 -22.079 1.00 11.53 ATOM 103 CB HIS 7 26.246 -4.502 -21.302 1.00 64.30 ATOM 104 HB1 HIS 7 26.472 -4.067 -22.266 1.00 37.59 ATOM 105 HB2 HIS 7 26.738 -5.460 -21.231 1.00 0.22 ATOM 106 CG HIS 7 26.838 -3.609 -20.246 1.00 65.04 ATOM 107 ND1 HIS 7 27.175 -4.050 -18.983 1.00 0.24 ATOM 108 HD1 HIS 7 27.043 -4.961 -18.637 1.00 54.42 ATOM 109 CD2 HIS 7 27.180 -2.300 -20.282 1.00 45.23 ATOM 110 HD2 HIS 7 27.057 -1.629 -21.120 1.00 32.14 ATOM 111 CE1 HIS 7 27.694 -3.057 -18.293 1.00 10.31 ATOM 112 HE1 HIS 7 28.046 -3.113 -17.274 1.00 44.30 ATOM 113 NE2 HIS 7 27.712 -1.984 -19.057 1.00 32.22 ATOM 114 HE2 HIS 7 28.235 -1.178 -18.864 1.00 37.59 ATOM 115 C HIS 7 24.360 -5.557 -19.962 1.00 61.52 ATOM 116 O HIS 7 25.006 -5.467 -18.919 1.00 51.32 ATOM 117 N HIS 8 23.313 -6.379 -20.084 1.00 24.13 ATOM 118 HN HIS 8 22.827 -6.409 -20.939 1.00 37.59 ATOM 119 CA HIS 8 22.854 -7.221 -18.967 1.00 23.44 ATOM 120 HA HIS 8 23.615 -7.199 -18.200 1.00 3.14 ATOM 121 CB HIS 8 21.551 -6.640 -18.392 1.00 33.41 ATOM 122 HB1 HIS 8 20.747 -6.819 -19.091 1.00 37.59 ATOM 123 HB2 HIS 8 21.669 -5.576 -18.258 1.00 50.41 ATOM 124 CG HIS 8 21.149 -7.223 -17.067 1.00 23.11 ATOM 125 ND1 HIS 8 20.247 -8.254 -16.938 1.00 64.44 ATOM 126 HD1 HIS 8 19.784 -8.705 -17.677 1.00 53.50 ATOM 127 CD2 HIS 8 21.529 -6.905 -15.805 1.00 74.31 ATOM 128 HD2 HIS 8 22.230 -6.133 -15.521 1.00 24.22 ATOM 129 CE1 HIS 8 20.088 -8.547 -15.667 1.00 62.22 ATOM 130 HE1 HIS 8 19.440 -9.316 -15.273 1.00 30.42 ATOM 131 NE2 HIS 8 20.853 -7.746 -14.955 1.00 63.45 ATOM 132 HE2 HIS 8 20.782 -7.628 -13.984 1.00 37.59 ATOM 133 C HIS 8 22.648 -8.689 -19.407 1.00 65.30 ATOM 134 O HIS 8 21.890 -9.438 -18.789 1.00 22.24 ATOM 135 N SER 9 23.341 -9.097 -20.469 1.00 43.52 ATOM 136 HN SER 9 23.910 -8.455 -20.937 1.00 37.59 ATOM 137 CA SER 9 23.276 -10.487 -20.958 1.00 13.21 ATOM 138 HA SER 9 22.233 -10.768 -21.012 1.00 75.30 ATOM 139 CB SER 9 23.897 -10.593 -22.361 1.00 4.03 ATOM 140 HB1 SER 9 24.933 -10.289 -22.316 1.00 37.59 ATOM 141 HB2 SER 9 23.364 -9.942 -23.038 1.00 4.30 ATOM 142 OG SER 9 23.829 -11.922 -22.865 1.00 65.32 ATOM 143 HG SER 9 24.229 -11.952 -23.745 1.00 64.53 ATOM 144 C SER 9 23.999 -11.442 -19.994 1.00 63.03 ATOM 145 O SER 9 25.151 -11.207 -19.624 1.00 35.24 ATOM 146 N HIS 10 23.325 -12.520 -19.591 1.00 63.33 ATOM 147 HN HIS 10 22.432 -12.692 -19.960 1.00 37.59 ATOM 148 CA HIS 10 23.891 -13.467 -18.620 1.00 51.00 ATOM 149 HA HIS 10 24.969 -13.393 -18.682 1.00 2.35 ATOM 150 CB HIS 10 23.458 -13.089 -17.195 1.00 60.41 ATOM 151 HB1 HIS 10 22.380 -13.011 -17.161 1.00 37.59 ATOM 152 HB2 HIS 10 23.889 -12.133 -16.933 1.00 31.44 ATOM 153 CG HIS 10 23.882 -14.083 -16.155 1.00 35.55 ATOM 154 ND1 HIS 10 23.010 -14.963 -15.553 1.00 75.33 ATOM 155 HD1 HIS 10 22.043 -15.022 -15.722 1.00 14.01 ATOM 156 CD2 HIS 10 25.099 -14.344 -15.621 1.00 45.31 ATOM 157 HD2 HIS 10 26.024 -13.838 -15.859 1.00 74.41 ATOM 158 CE1 HIS 10 23.668 -15.719 -14.699 1.00 12.34 ATOM 159 HE1 HIS 10 23.238 -16.498 -14.085 1.00 75.41 ATOM 160 NE2 HIS 10 24.936 -15.366 -14.719 1.00 14.32 ATOM 161 HE2 HIS 10 25.668 -15.903 -14.343 1.00 37.59 ATOM 162 C HIS 10 23.486 -14.923 -18.918 1.00 21.14 ATOM 163 O HIS 10 22.333 -15.311 -18.731 1.00 72.51 ATOM 164 N MET 11 24.448 -15.724 -19.372 1.00 10.35 ATOM 165 HN MET 11 25.328 -15.342 -19.568 1.00 37.59 ATOM 166 CA MET 11 24.231 -17.162 -19.591 1.00 12.33 ATOM 167 HA MET 11 23.173 -17.323 -19.746 1.00 5.12 ATOM 168 CB MET 11 25.000 -17.627 -20.835 1.00 74.45 ATOM 169 HB1 MET 11 24.786 -18.673 -21.007 1.00 37.59 ATOM 170 HB2 MET 11 26.058 -17.512 -20.651 1.00 0.01 ATOM 171 CG MET 11 24.651 -16.855 -22.102 1.00 71.25 ATOM 172 HG1 MET 11 24.825 -15.802 -21.929 1.00 37.59 ATOM 173 HG2 MET 11 23.606 -17.012 -22.327 1.00 2.41 ATOM 174 SD MET 11 25.631 -17.377 -23.526 1.00 71.44 ATOM 175 CE MET 11 27.296 -17.061 -22.942 1.00 34.33 ATOM 176 HE1 MET 11 27.395 -16.019 -22.681 1.00 31.35 ATOM 177 HE2 MET 11 28.004 -17.304 -23.721 1.00 43.33 ATOM 178 HE3 MET 11 27.494 -17.671 -22.072 1.00 15.05 ATOM 179 C MET 11 24.688 -17.977 -18.366 1.00 62.41 ATOM 180 O MET 11 25.241 -17.424 -17.413 1.00 45.44 ATOM 181 N ALA 12 24.466 -19.290 -18.394 1.00 63.54 ATOM 182 HN ALA 12 24.003 -19.684 -19.165 1.00 37.59 ATOM 183 CA ALA 12 24.904 -20.164 -17.299 1.00 60.10 ATOM 184 HA ALA 12 24.975 -19.563 -16.401 1.00 73.01 ATOM 185 CB ALA 12 23.875 -21.261 -17.052 1.00 52.11 ATOM 186 HB1 ALA 12 24.200 -21.881 -16.228 1.00 63.41 ATOM 187 HB2 ALA 12 23.771 -21.866 -17.938 1.00 1.12 ATOM 188 HB3 ALA 12 22.922 -20.813 -16.809 1.00 0.53 ATOM 189 C ALA 12 26.280 -20.778 -17.592 1.00 64.01 ATOM 190 O ALA 12 26.565 -21.180 -18.721 1.00 73.04 ATOM 191 N ASN 13 27.127 -20.856 -16.567 1.00 32.41 ATOM 192 HN ASN 13 26.832 -20.550 -15.680 1.00 37.59 ATOM 193 CA ASN 13 28.492 -21.381 -16.725 1.00 61.41 ATOM 194 HA ASN 13 28.858 -21.069 -17.690 1.00 34.03 ATOM 195 CB ASN 13 29.406 -20.805 -15.637 1.00 3.15 ATOM 196 HB1 ASN 13 30.419 -21.144 -15.808 1.00 37.59 ATOM 197 HB2 ASN 13 29.075 -21.158 -14.671 1.00 25.20 ATOM 198 CG ASN 13 29.406 -19.288 -15.617 1.00 14.45 ATOM 199 OD1 ASN 13 29.275 -18.634 -16.648 1.00 13.33 ATOM 200 ND2 ASN 13 29.543 -18.715 -14.440 1.00 33.34 ATOM 201 HD21 ASN 13 29.636 -19.289 -13.654 1.00 11.01 ATOM 202 HD22 ASN 13 29.544 -17.739 -14.403 1.00 51.50 ATOM 203 C ASN 13 28.523 -22.913 -16.657 1.00 33.14 ATOM 204 O ASN 13 29.457 -23.550 -17.143 1.00 74.41 ATOM 205 N GLY 14 27.499 -23.492 -16.043 1.00 31.05 ATOM 206 HN GLY 14 26.761 -22.936 -15.728 1.00 37.59 ATOM 207 CA GLY 14 27.454 -24.933 -15.829 1.00 45.14 ATOM 208 HA1 GLY 14 28.367 -25.378 -16.200 1.00 37.59 ATOM 209 HA2 GLY 14 26.618 -25.340 -16.380 1.00 23.44 ATOM 210 C GLY 14 27.300 -25.285 -14.355 1.00 53.40 ATOM 211 O GLY 14 27.692 -24.509 -13.480 1.00 3.45 ATOM 212 N ALA 15 26.728 -26.446 -14.073 1.00 65.31 ATOM 213 HN ALA 15 26.463 -27.040 -14.807 1.00 37.59 ATOM 214 CA ALA 15 26.486 -26.871 -12.695 1.00 22.14 ATOM 215 HA ALA 15 26.200 -25.997 -12.122 1.00 22.44 ATOM 216 CB ALA 15 25.323 -27.852 -12.658 1.00 32.32 ATOM 217 HB1 ALA 15 25.599 -28.756 -13.181 1.00 53.40 ATOM 218 HB2 ALA 15 24.465 -27.406 -13.142 1.00 42.41 ATOM 219 HB3 ALA 15 25.076 -28.087 -11.633 1.00 40.20 ATOM 220 C ALA 15 27.747 -27.484 -12.064 1.00 31.34 ATOM 221 O ALA 15 28.076 -28.647 -12.304 1.00 42.02 ATOM 222 N ALA 16 28.453 -26.683 -11.267 1.00 32.35 ATOM 223 HN ALA 16 28.145 -25.761 -11.133 1.00 37.59 ATOM 224 CA ALA 16 29.682 -27.128 -10.593 1.00 42.12 ATOM 225 HA ALA 16 29.647 -28.206 -10.500 1.00 11.02 ATOM 226 CB ALA 16 30.901 -26.760 -11.439 1.00 33.02 ATOM 227 HB1 ALA 16 31.797 -27.135 -10.964 1.00 40.52 ATOM 228 HB2 ALA 16 30.967 -25.685 -11.532 1.00 63.11 ATOM 229 HB3 ALA 16 30.805 -27.199 -12.422 1.00 23.41 ATOM 230 C ALA 16 29.797 -26.515 -9.187 1.00 41.43 ATOM 231 O ALA 16 30.891 -26.383 -8.638 1.00 64.33 ATOM 232 N GLY 17 28.654 -26.177 -8.594 1.00 2.43 ATOM 233 HN GLY 17 27.808 -26.394 -9.036 1.00 37.59 ATOM 234 CA GLY 17 28.638 -25.501 -7.298 1.00 51.44 ATOM 235 HA1 GLY 17 27.626 -25.185 -7.089 1.00 37.59 ATOM 236 HA2 GLY 17 29.264 -24.625 -7.359 1.00 35.53 ATOM 237 C GLY 17 29.127 -26.363 -6.136 1.00 4.24 ATOM 238 O GLY 17 29.373 -25.852 -5.043 1.00 64.15 ATOM 239 N THR 18 29.265 -27.667 -6.367 1.00 25.52 ATOM 240 HN THR 18 29.040 -28.012 -7.255 1.00 37.59 ATOM 241 CA THR 18 29.716 -28.607 -5.327 1.00 70.23 ATOM 242 HA THR 18 29.041 -28.511 -4.487 1.00 53.13 ATOM 243 CB THR 18 29.654 -30.076 -5.823 1.00 70.13 ATOM 244 HB THR 18 30.276 -30.168 -6.704 1.00 61.31 ATOM 245 OG1 THR 18 28.300 -30.421 -6.171 1.00 62.30 ATOM 246 HG1 THR 18 28.211 -31.387 -6.207 1.00 21.33 ATOM 247 CG2 THR 18 30.168 -31.047 -4.759 1.00 13.21 ATOM 248 HG21 THR 18 30.128 -32.059 -5.142 1.00 65.24 ATOM 249 HG22 THR 18 29.552 -30.975 -3.873 1.00 63.33 ATOM 250 HG23 THR 18 31.190 -30.800 -4.507 1.00 32.10 ATOM 251 C THR 18 31.143 -28.298 -4.844 1.00 60.04 ATOM 252 O THR 18 31.432 -28.380 -3.647 1.00 30.12 ATOM 253 N LYS 19 32.031 -27.945 -5.776 1.00 31.11 ATOM 254 HN LYS 19 31.745 -27.906 -6.713 1.00 37.59 ATOM 255 CA LYS 19 33.423 -27.616 -5.435 1.00 42.01 ATOM 256 HA LYS 19 33.769 -28.354 -4.725 1.00 62.34 ATOM 257 CB LYS 19 34.315 -27.685 -6.688 1.00 21.21 ATOM 258 HB1 LYS 19 34.329 -28.706 -7.045 1.00 37.59 ATOM 259 HB2 LYS 19 35.320 -27.398 -6.415 1.00 73.42 ATOM 260 CG LYS 19 33.855 -26.786 -7.835 1.00 45.05 ATOM 261 HG1 LYS 19 33.803 -25.768 -7.478 1.00 37.59 ATOM 262 HG2 LYS 19 32.869 -27.103 -8.147 1.00 14.34 ATOM 263 CD LYS 19 34.791 -26.840 -9.047 1.00 42.22 ATOM 264 HD1 LYS 19 34.301 -26.360 -9.884 1.00 37.59 ATOM 265 HD2 LYS 19 34.981 -27.874 -9.294 1.00 10.50 ATOM 266 CE LYS 19 36.132 -26.142 -8.797 1.00 33.13 ATOM 267 HE1 LYS 19 35.940 -25.164 -8.378 1.00 37.59 ATOM 268 HE2 LYS 19 36.644 -26.028 -9.740 1.00 14.23 ATOM 269 NZ LYS 19 37.015 -26.898 -7.867 1.00 23.01 ATOM 270 HZ1 LYS 19 37.957 -26.456 -7.833 1.00 30.24 ATOM 271 HZ2 LYS 19 37.120 -27.883 -8.187 1.00 61.14 ATOM 272 HZ3 LYS 19 36.614 -26.895 -6.909 1.00 50.44 ATOM 273 C LYS 19 33.531 -26.226 -4.782 1.00 2.03 ATOM 274 O LYS 19 34.303 -26.025 -3.841 1.00 34.41 ATOM 275 N VAL 20 32.755 -25.268 -5.288 1.00 13.11 ATOM 276 HN VAL 20 32.173 -25.479 -6.048 1.00 37.59 ATOM 277 CA VAL 20 32.737 -23.909 -4.731 1.00 53.52 ATOM 278 HA VAL 20 33.559 -23.828 -4.031 1.00 53.23 ATOM 279 CB VAL 20 32.935 -22.830 -5.832 1.00 61.01 ATOM 280 HB VAL 20 32.093 -22.880 -6.511 1.00 23.44 ATOM 281 CG1 VAL 20 32.972 -21.426 -5.226 1.00 32.31 ATOM 282 HG11 VAL 20 33.103 -20.697 -6.013 1.00 40.52 ATOM 283 HG12 VAL 20 33.795 -21.353 -4.530 1.00 23.11 ATOM 284 HG13 VAL 20 32.044 -21.231 -4.706 1.00 50.32 ATOM 285 CG2 VAL 20 34.208 -23.096 -6.630 1.00 24.05 ATOM 286 HG21 VAL 20 34.331 -22.328 -7.381 1.00 2.43 ATOM 287 HG22 VAL 20 34.140 -24.058 -7.109 1.00 3.14 ATOM 288 HG23 VAL 20 35.060 -23.086 -5.964 1.00 71.00 ATOM 289 C VAL 20 31.425 -23.640 -3.975 1.00 5.23 ATOM 290 O VAL 20 30.460 -23.115 -4.536 1.00 74.44 ATOM 291 N ALA 21 31.389 -24.040 -2.708 1.00 1.20 ATOM 292 HN ALA 21 32.166 -24.511 -2.341 1.00 37.59 ATOM 293 CA ALA 21 30.221 -23.819 -1.846 1.00 42.44 ATOM 294 HA ALA 21 29.442 -23.361 -2.441 1.00 14.14 ATOM 295 CB ALA 21 29.698 -25.152 -1.326 1.00 40.31 ATOM 296 HB1 ALA 21 30.452 -25.622 -0.712 1.00 13.20 ATOM 297 HB2 ALA 21 29.462 -25.797 -2.161 1.00 2.23 ATOM 298 HB3 ALA 21 28.807 -24.988 -0.738 1.00 71.01 ATOM 299 C ALA 21 30.560 -22.889 -0.677 1.00 11.53 ATOM 300 O ALA 21 29.700 -22.158 -0.179 1.00 12.14 ATOM 301 N LEU 22 31.818 -22.924 -0.243 1.00 24.03 ATOM 302 HN LEU 22 32.446 -23.545 -0.671 1.00 37.59 ATOM 303 CA LEU 22 32.302 -22.073 0.851 1.00 23.43 ATOM 304 HA LEU 22 31.571 -21.293 1.022 1.00 24.55 ATOM 305 CB LEU 22 32.457 -22.908 2.138 1.00 61.15 ATOM 306 HB1 LEU 22 32.908 -22.282 2.896 1.00 37.59 ATOM 307 HB2 LEU 22 33.130 -23.729 1.930 1.00 34.34 ATOM 308 CG LEU 22 31.153 -23.490 2.714 1.00 21.34 ATOM 309 HG LEU 22 30.674 -24.095 1.957 1.00 33.44 ATOM 310 CD1 LEU 22 31.446 -24.391 3.910 1.00 44.21 ATOM 311 HD11 LEU 22 30.520 -24.799 4.290 1.00 54.54 ATOM 312 HD12 LEU 22 31.931 -23.817 4.687 1.00 61.02 ATOM 313 HD13 LEU 22 32.094 -25.199 3.603 1.00 24.13 ATOM 314 CD2 LEU 22 30.186 -22.373 3.107 1.00 41.00 ATOM 315 HD21 LEU 22 29.949 -21.778 2.237 1.00 64.12 ATOM 316 HD22 LEU 22 30.642 -21.745 3.860 1.00 52.31 ATOM 317 HD23 LEU 22 29.278 -22.806 3.502 1.00 12.14 ATOM 318 C LEU 22 33.646 -21.420 0.480 1.00 44.13 ATOM 319 O LEU 22 34.564 -21.351 1.302 1.00 73.04 ATOM 320 N ARG 23 33.760 -20.934 -0.759 1.00 10.35 ATOM 321 HN ARG 23 32.991 -20.988 -1.367 1.00 37.59 ATOM 322 CA ARG 23 35.008 -20.319 -1.233 1.00 64.15 ATOM 323 HA ARG 23 35.542 -19.956 -0.365 1.00 54.54 ATOM 324 CB ARG 23 35.884 -21.379 -1.940 1.00 52.30 ATOM 325 HB1 ARG 23 35.481 -21.560 -2.927 1.00 37.59 ATOM 326 HB2 ARG 23 35.830 -22.299 -1.373 1.00 22.43 ATOM 327 CG ARG 23 37.369 -21.005 -2.087 1.00 21.24 ATOM 328 HG1 ARG 23 37.922 -21.894 -2.358 1.00 37.59 ATOM 329 HG2 ARG 23 37.729 -20.641 -1.135 1.00 44.01 ATOM 330 CD ARG 23 37.614 -19.929 -3.145 1.00 54.45 ATOM 331 HD1 ARG 23 37.065 -19.039 -2.867 1.00 37.59 ATOM 332 HD2 ARG 23 37.252 -20.288 -4.097 1.00 21.20 ATOM 333 NE ARG 23 39.030 -19.588 -3.277 1.00 63.23 ATOM 334 HE ARG 23 39.680 -20.142 -2.799 1.00 53.32 ATOM 335 CZ ARG 23 39.480 -18.590 -3.990 1.00 31.51 ATOM 336 NH1 ARG 23 38.666 -17.826 -4.650 1.00 32.53 ATOM 337 HH11 ARG 23 37.686 -17.999 -4.623 1.00 43.31 ATOM 338 HH12 ARG 23 39.023 -17.055 -5.174 1.00 42.34 ATOM 339 NH2 ARG 23 40.750 -18.361 -4.044 1.00 12.32 ATOM 340 HH21 ARG 23 41.379 -18.947 -3.538 1.00 51.11 ATOM 341 HH22 ARG 23 41.096 -17.608 -4.600 1.00 44.35 ATOM 342 C ARG 23 34.730 -19.120 -2.161 1.00 41.43 ATOM 343 O ARG 23 34.581 -19.272 -3.375 1.00 34.32 ATOM 344 N LYS 24 34.640 -17.933 -1.571 1.00 53.25 ATOM 345 HN LYS 24 34.614 -17.899 -0.592 1.00 37.59 ATOM 346 CA LYS 24 34.569 -16.674 -2.327 1.00 24.22 ATOM 347 HA LYS 24 34.632 -16.912 -3.382 1.00 2.33 ATOM 348 CB LYS 24 33.246 -15.933 -2.058 1.00 12.11 ATOM 349 HB1 LYS 24 33.303 -14.951 -2.508 1.00 37.59 ATOM 350 HB2 LYS 24 33.127 -15.816 -0.989 1.00 53.25 ATOM 351 CG LYS 24 31.999 -16.632 -2.601 1.00 1.33 ATOM 352 HG1 LYS 24 31.815 -17.525 -2.019 1.00 37.59 ATOM 353 HG2 LYS 24 32.170 -16.901 -3.634 1.00 2.44 ATOM 354 CD LYS 24 30.774 -15.721 -2.521 1.00 30.45 ATOM 355 HD1 LYS 24 30.986 -14.803 -3.055 1.00 37.59 ATOM 356 HD2 LYS 24 30.575 -15.493 -1.484 1.00 65.34 ATOM 357 CE LYS 24 29.531 -16.368 -3.125 1.00 52.11 ATOM 358 HE1 LYS 24 29.764 -16.701 -4.127 1.00 37.59 ATOM 359 HE2 LYS 24 28.742 -15.632 -3.168 1.00 0.25 ATOM 360 NZ LYS 24 29.059 -17.528 -2.328 1.00 3.12 ATOM 361 HZ1 LYS 24 29.766 -18.289 -2.341 1.00 61.43 ATOM 362 HZ2 LYS 24 28.167 -17.893 -2.718 1.00 13.50 ATOM 363 HZ3 LYS 24 28.893 -17.241 -1.343 1.00 12.45 ATOM 364 C LYS 24 35.747 -15.764 -1.955 1.00 70.20 ATOM 365 O LYS 24 36.345 -15.113 -2.814 1.00 75.45 ATOM 366 N THR 25 36.070 -15.727 -0.663 1.00 62.30 ATOM 367 HN THR 25 35.546 -16.261 -0.030 1.00 37.59 ATOM 368 CA THR 25 37.183 -14.910 -0.156 1.00 41.23 ATOM 369 HA THR 25 37.081 -13.919 -0.576 1.00 61.11 ATOM 370 CB THR 25 37.133 -14.782 1.388 1.00 23.31 ATOM 371 HB THR 25 36.204 -14.301 1.659 1.00 23.11 ATOM 372 OG1 THR 25 38.227 -13.974 1.860 1.00 72.33 ATOM 373 HG1 THR 25 38.532 -14.316 2.711 1.00 52.43 ATOM 374 CG2 THR 25 37.182 -16.153 2.057 1.00 12.33 ATOM 375 HG21 THR 25 38.095 -16.660 1.779 1.00 33.10 ATOM 376 HG22 THR 25 36.333 -16.742 1.739 1.00 55.02 ATOM 377 HG23 THR 25 37.152 -16.032 3.130 1.00 45.01 ATOM 378 C THR 25 38.553 -15.481 -0.564 1.00 11.12 ATOM 379 O THR 25 38.651 -16.592 -1.089 1.00 43.22 ATOM 380 N LYS 26 39.610 -14.711 -0.309 1.00 51.32 ATOM 381 HN LYS 26 39.467 -13.845 0.127 1.00 37.59 ATOM 382 CA LYS 26 40.978 -15.126 -0.641 1.00 44.21 ATOM 383 HA LYS 26 40.948 -15.620 -1.602 1.00 71.34 ATOM 384 CB LYS 26 41.882 -13.892 -0.747 1.00 54.12 ATOM 385 HB1 LYS 26 42.893 -14.217 -0.943 1.00 37.59 ATOM 386 HB2 LYS 26 41.862 -13.361 0.194 1.00 4.23 ATOM 387 CG LYS 26 41.471 -12.924 -1.853 1.00 30.34 ATOM 388 HG1 LYS 26 40.445 -12.622 -1.690 1.00 37.59 ATOM 389 HG2 LYS 26 41.549 -13.429 -2.806 1.00 42.42 ATOM 390 CD LYS 26 42.355 -11.681 -1.884 1.00 41.34 ATOM 391 HD1 LYS 26 43.382 -11.986 -2.035 1.00 37.59 ATOM 392 HD2 LYS 26 42.268 -11.165 -0.938 1.00 44.30 ATOM 393 CE LYS 26 41.950 -10.730 -3.004 1.00 34.44 ATOM 394 HE1 LYS 26 42.050 -11.244 -3.949 1.00 37.59 ATOM 395 HE2 LYS 26 42.613 -9.876 -2.990 1.00 24.23 ATOM 396 NZ LYS 26 40.547 -10.255 -2.859 1.00 64.52 ATOM 397 HZ1 LYS 26 39.888 -11.059 -2.891 1.00 24.33 ATOM 398 HZ2 LYS 26 40.305 -9.601 -3.631 1.00 60.45 ATOM 399 HZ3 LYS 26 40.426 -9.762 -1.951 1.00 2.14 ATOM 400 C LYS 26 41.533 -16.118 0.399 1.00 2.52 ATOM 401 O LYS 26 40.873 -16.421 1.394 1.00 11.13 ATOM 402 N GLN 27 42.757 -16.605 0.183 1.00 73.44 ATOM 403 HN GLN 27 43.289 -16.248 -0.555 1.00 37.59 ATOM 404 CA GLN 27 43.323 -17.658 1.044 1.00 52.55 ATOM 405 HA GLN 27 42.852 -17.568 2.013 1.00 61.42 ATOM 406 CB GLN 27 42.966 -19.038 0.460 1.00 52.34 ATOM 407 HB1 GLN 27 41.893 -19.169 0.514 1.00 37.59 ATOM 408 HB2 GLN 27 43.439 -19.803 1.060 1.00 73.11 ATOM 409 CG GLN 27 43.398 -19.233 -0.992 1.00 44.34 ATOM 410 HG1 GLN 27 44.469 -19.381 -1.019 1.00 37.59 ATOM 411 HG2 GLN 27 43.148 -18.343 -1.552 1.00 51.12 ATOM 412 CD GLN 27 42.723 -20.426 -1.653 1.00 22.12 ATOM 413 OE1 GLN 27 41.667 -20.295 -2.271 1.00 33.23 ATOM 414 NE2 GLN 27 43.318 -21.594 -1.529 1.00 43.03 ATOM 415 HE21 GLN 27 44.158 -21.635 -1.026 1.00 75.11 ATOM 416 HE22 GLN 27 42.891 -22.374 -1.938 1.00 70.22 ATOM 417 C GLN 27 44.848 -17.510 1.240 1.00 42.33 ATOM 418 O GLN 27 45.334 -17.501 2.373 1.00 44.41 ATOM 419 N ALA 28 45.597 -17.397 0.141 1.00 61.21 ATOM 420 HN ALA 28 45.164 -17.416 -0.735 1.00 37.59 ATOM 421 CA ALA 28 47.061 -17.254 0.206 1.00 40.22 ATOM 422 HA ALA 28 47.290 -16.503 0.950 1.00 54.33 ATOM 423 CB ALA 28 47.707 -18.570 0.636 1.00 51.25 ATOM 424 HB1 ALA 28 47.487 -19.334 -0.095 1.00 73.00 ATOM 425 HB2 ALA 28 47.315 -18.869 1.597 1.00 1.21 ATOM 426 HB3 ALA 28 48.778 -18.441 0.709 1.00 5.53 ATOM 427 C ALA 28 47.633 -16.804 -1.144 1.00 14.00 ATOM 428 O ALA 28 47.116 -17.183 -2.195 1.00 5.22 ATOM 429 N ALA 29 48.709 -16.018 -1.115 1.00 63.21 ATOM 430 HN ALA 29 49.101 -15.781 -0.246 1.00 37.59 ATOM 431 CA ALA 29 49.326 -15.480 -2.342 1.00 70.43 ATOM 432 HA ALA 29 48.609 -14.816 -2.806 1.00 60.22 ATOM 433 CB ALA 29 50.563 -14.660 -1.990 1.00 13.55 ATOM 434 HB1 ALA 29 51.301 -15.300 -1.529 1.00 65.10 ATOM 435 HB2 ALA 29 50.290 -13.872 -1.302 1.00 12.03 ATOM 436 HB3 ALA 29 50.976 -14.224 -2.889 1.00 14.41 ATOM 437 C ALA 29 49.693 -16.585 -3.350 1.00 52.15 ATOM 438 O ALA 29 49.823 -16.333 -4.549 1.00 32.22 ATOM 439 N GLU 30 49.853 -17.808 -2.857 1.00 13.43 ATOM 440 HN GLU 30 49.762 -17.943 -1.892 1.00 37.59 ATOM 441 CA GLU 30 50.187 -18.957 -3.707 1.00 23.11 ATOM 442 HA GLU 30 50.998 -18.665 -4.359 1.00 44.50 ATOM 443 CB GLU 30 50.655 -20.129 -2.832 1.00 65.32 ATOM 444 HB1 GLU 30 50.975 -20.938 -3.476 1.00 37.59 ATOM 445 HB2 GLU 30 49.821 -20.469 -2.235 1.00 31.34 ATOM 446 CG GLU 30 51.805 -19.788 -1.888 1.00 1.20 ATOM 447 HG1 GLU 30 52.044 -20.667 -1.305 1.00 37.59 ATOM 448 HG2 GLU 30 51.484 -18.998 -1.223 1.00 53.40 ATOM 449 CD GLU 30 53.058 -19.334 -2.617 1.00 35.31 ATOM 450 OE1 GLU 30 53.601 -20.117 -3.423 1.00 52.41 ATOM 451 OE2 GLU 30 53.523 -18.203 -2.372 1.00 45.43 ATOM 452 C GLU 30 48.995 -19.415 -4.571 1.00 43.24 ATOM 453 O GLU 30 49.179 -20.103 -5.579 1.00 71.43 ATOM 454 N LYS 31 47.777 -19.036 -4.180 1.00 74.33 ATOM 455 HN LYS 31 47.692 -18.410 -3.434 1.00 37.59 ATOM 456 CA LYS 31 46.561 -19.549 -4.838 1.00 5.23 ATOM 457 HA LYS 31 46.858 -19.992 -5.778 1.00 72.41 ATOM 458 CB LYS 31 45.941 -20.647 -3.955 1.00 34.34 ATOM 459 HB1 LYS 31 45.501 -20.182 -3.082 1.00 37.59 ATOM 460 HB2 LYS 31 46.727 -21.314 -3.630 1.00 41.34 ATOM 461 CG LYS 31 44.863 -21.486 -4.642 1.00 14.11 ATOM 462 HG1 LYS 31 44.037 -20.841 -4.911 1.00 37.59 ATOM 463 HG2 LYS 31 44.517 -22.242 -3.951 1.00 71.23 ATOM 464 CD LYS 31 45.390 -22.171 -5.904 1.00 0.05 ATOM 465 HD1 LYS 31 45.699 -21.412 -6.610 1.00 37.59 ATOM 466 HD2 LYS 31 44.596 -22.760 -6.337 1.00 61.43 ATOM 467 CE LYS 31 46.576 -23.086 -5.614 1.00 5.54 ATOM 468 HE1 LYS 31 47.344 -22.515 -5.114 1.00 37.59 ATOM 469 HE2 LYS 31 46.963 -23.460 -6.551 1.00 5.45 ATOM 470 NZ LYS 31 46.198 -24.241 -4.757 1.00 11.33 ATOM 471 HZ1 LYS 31 47.034 -24.821 -4.550 1.00 72.21 ATOM 472 HZ2 LYS 31 45.496 -24.835 -5.242 1.00 3.12 ATOM 473 HZ3 LYS 31 45.790 -23.909 -3.860 1.00 51.51 ATOM 474 C LYS 31 45.518 -18.445 -5.132 1.00 13.23 ATOM 475 O LYS 31 44.443 -18.721 -5.665 1.00 72.33 ATOM 476 N ILE 32 45.827 -17.198 -4.786 1.00 33.13 ATOM 477 HN ILE 32 46.681 -17.022 -4.341 1.00 37.59 ATOM 478 CA ILE 32 44.912 -16.078 -5.069 1.00 13.03 ATOM 479 HA ILE 32 43.900 -16.430 -4.904 1.00 31.43 ATOM 480 CB ILE 32 45.165 -14.877 -4.122 1.00 20.30 ATOM 481 HB ILE 32 46.208 -14.600 -4.201 1.00 11.33 ATOM 482 CG1 ILE 32 44.861 -15.264 -2.667 1.00 51.51 ATOM 483 HG11 ILE 32 45.383 -16.178 -2.426 1.00 37.59 ATOM 484 HG12 ILE 32 43.799 -15.425 -2.557 1.00 71.03 ATOM 485 CG2 ILE 32 44.323 -13.669 -4.540 1.00 51.32 ATOM 486 HG21 ILE 32 44.502 -12.849 -3.859 1.00 12.00 ATOM 487 HG22 ILE 32 43.275 -13.932 -4.517 1.00 70.35 ATOM 488 HG23 ILE 32 44.595 -13.367 -5.541 1.00 74.51 ATOM 489 CD1 ILE 32 45.275 -14.213 -1.656 1.00 63.30 ATOM 490 HD11 ILE 32 46.339 -14.048 -1.723 1.00 50.52 ATOM 491 HD12 ILE 32 45.026 -14.554 -0.661 1.00 60.42 ATOM 492 HD13 ILE 32 44.753 -13.290 -1.860 1.00 34.03 ATOM 493 C ILE 32 45.038 -15.603 -6.525 1.00 63.45 ATOM 494 O ILE 32 46.141 -15.397 -7.021 1.00 23.03 ATOM 495 N SER 33 43.896 -15.420 -7.191 1.00 0.12 ATOM 496 HN SER 33 43.049 -15.624 -6.738 1.00 37.59 ATOM 497 CA SER 33 43.854 -14.939 -8.586 1.00 24.32 ATOM 498 HA SER 33 44.245 -15.725 -9.216 1.00 41.22 ATOM 499 CB SER 33 42.403 -14.652 -8.995 1.00 43.42 ATOM 500 HB1 SER 33 41.826 -15.562 -8.926 1.00 37.59 ATOM 501 HB2 SER 33 42.379 -14.287 -10.012 1.00 62.03 ATOM 502 OG SER 33 41.816 -13.676 -8.146 1.00 3.42 ATOM 503 HG SER 33 41.041 -13.296 -8.581 1.00 41.33 ATOM 504 C SER 33 44.704 -13.672 -8.790 1.00 3.44 ATOM 505 O SER 33 45.581 -13.633 -9.654 1.00 42.33 ATOM 506 N ALA 34 44.437 -12.643 -7.992 1.00 60.51 ATOM 507 HN ALA 34 43.703 -12.726 -7.347 1.00 37.59 ATOM 508 CA ALA 34 45.185 -11.379 -8.069 1.00 22.02 ATOM 509 HA ALA 34 45.043 -10.974 -9.060 1.00 3.11 ATOM 510 CB ALA 34 44.620 -10.377 -7.070 1.00 63.33 ATOM 511 HB1 ALA 34 44.741 -10.760 -6.066 1.00 15.21 ATOM 512 HB2 ALA 34 43.569 -10.219 -7.269 1.00 74.33 ATOM 513 HB3 ALA 34 45.149 -9.440 -7.163 1.00 61.44 ATOM 514 C ALA 34 46.697 -11.578 -7.835 1.00 30.33 ATOM 515 O ALA 34 47.526 -10.973 -8.516 1.00 12.14 ATOM 516 N ASP 35 47.046 -12.428 -6.871 1.00 22.34 ATOM 517 HN ASP 35 46.347 -12.856 -6.341 1.00 37.59 ATOM 518 CA ASP 35 48.453 -12.736 -6.575 1.00 35.21 ATOM 519 HA ASP 35 49.011 -11.812 -6.647 1.00 72.43 ATOM 520 CB ASP 35 48.581 -13.275 -5.148 1.00 2.14 ATOM 521 HB1 ASP 35 49.591 -13.632 -4.989 1.00 37.59 ATOM 522 HB2 ASP 35 47.891 -14.096 -5.015 1.00 33.23 ATOM 523 CG ASP 35 48.275 -12.214 -4.106 1.00 61.13 ATOM 524 OD1 ASP 35 47.098 -12.072 -3.711 1.00 12.20 ATOM 525 OD2 ASP 35 49.215 -11.517 -3.674 1.00 62.42 ATOM 526 C ASP 35 49.044 -13.736 -7.587 1.00 64.44 ATOM 527 O ASP 35 50.258 -13.947 -7.634 1.00 25.12 ATOM 528 N LYS 36 48.177 -14.359 -8.380 1.00 14.33 ATOM 529 HN LYS 36 47.220 -14.247 -8.209 1.00 37.59 ATOM 530 CA LYS 36 48.602 -15.223 -9.487 1.00 32.42 ATOM 531 HA LYS 36 49.449 -15.805 -9.149 1.00 32.52 ATOM 532 CB LYS 36 47.446 -16.180 -9.859 1.00 15.21 ATOM 533 HB1 LYS 36 46.597 -15.586 -10.165 1.00 37.59 ATOM 534 HB2 LYS 36 47.171 -16.738 -8.976 1.00 12.12 ATOM 535 CG LYS 36 47.751 -17.187 -10.974 1.00 32.41 ATOM 536 HG1 LYS 36 47.164 -18.081 -10.805 1.00 37.59 ATOM 537 HG2 LYS 36 48.801 -17.440 -10.939 1.00 53.25 ATOM 538 CD LYS 36 47.423 -16.636 -12.363 1.00 74.14 ATOM 539 HD1 LYS 36 48.031 -15.761 -12.548 1.00 37.59 ATOM 540 HD2 LYS 36 46.378 -16.360 -12.395 1.00 12.34 ATOM 541 CE LYS 36 47.691 -17.663 -13.453 1.00 62.21 ATOM 542 HE1 LYS 36 47.089 -18.540 -13.262 1.00 37.59 ATOM 543 HE2 LYS 36 48.735 -17.932 -13.429 1.00 52.45 ATOM 544 NZ LYS 36 47.362 -17.137 -14.803 1.00 43.03 ATOM 545 HZ1 LYS 36 46.381 -16.790 -14.823 1.00 40.22 ATOM 546 HZ2 LYS 36 47.463 -17.889 -15.515 1.00 60.14 ATOM 547 HZ3 LYS 36 48.001 -16.358 -15.050 1.00 22.42 ATOM 548 C LYS 36 49.039 -14.359 -10.685 1.00 64.43 ATOM 549 O LYS 36 49.745 -14.817 -11.585 1.00 34.20 ATOM 550 N ILE 37 48.615 -13.095 -10.676 1.00 23.21 ATOM 551 HN ILE 37 48.022 -12.803 -9.953 1.00 37.59 ATOM 552 CA ILE 37 49.003 -12.129 -11.704 1.00 25.33 ATOM 553 HA ILE 37 49.027 -12.639 -12.659 1.00 20.12 ATOM 554 CB ILE 37 47.983 -10.966 -11.794 1.00 50.32 ATOM 555 HB ILE 37 48.058 -10.387 -10.883 1.00 10.41 ATOM 556 CG1 ILE 37 46.548 -11.509 -11.919 1.00 65.24 ATOM 557 HG11 ILE 37 45.864 -10.678 -12.034 1.00 37.59 ATOM 558 HG12 ILE 37 46.298 -12.046 -11.016 1.00 61.45 ATOM 559 CG2 ILE 37 48.323 -10.043 -12.963 1.00 72.23 ATOM 560 HG21 ILE 37 49.318 -9.641 -12.830 1.00 25.44 ATOM 561 HG22 ILE 37 47.611 -9.230 -13.001 1.00 21.32 ATOM 562 HG23 ILE 37 48.282 -10.600 -13.888 1.00 53.40 ATOM 563 CD1 ILE 37 46.335 -12.453 -13.085 1.00 31.21 ATOM 564 HD11 ILE 37 45.305 -12.775 -13.102 1.00 52.23 ATOM 565 HD12 ILE 37 46.979 -13.314 -12.977 1.00 25.20 ATOM 566 HD13 ILE 37 46.566 -11.944 -14.009 1.00 51.22 ATOM 567 C ILE 37 50.393 -11.539 -11.408 1.00 5.11 ATOM 568 O ILE 37 50.729 -11.266 -10.255 1.00 32.43 ATOM 569 N SER 38 51.203 -11.346 -12.446 1.00 24.41 ATOM 570 HN SER 38 50.895 -11.595 -13.340 1.00 37.59 ATOM 571 CA SER 38 52.549 -10.772 -12.281 1.00 63.51 ATOM 572 HA SER 38 52.539 -10.152 -11.393 1.00 20.14 ATOM 573 CB SER 38 53.590 -11.884 -12.092 1.00 1.43 ATOM 574 HB1 SER 38 54.574 -11.445 -12.011 1.00 37.59 ATOM 575 HB2 SER 38 53.563 -12.549 -12.943 1.00 11.12 ATOM 576 OG SER 38 53.331 -12.641 -10.917 1.00 72.33 ATOM 577 HG SER 38 52.539 -12.300 -10.481 1.00 70.32 ATOM 578 C SER 38 52.938 -9.896 -13.477 1.00 53.32 ATOM 579 O SER 38 52.482 -10.122 -14.599 1.00 54.11 ATOM 580 N LYS 39 53.795 -8.908 -13.222 1.00 44.11 ATOM 581 HN LYS 39 54.131 -8.806 -12.303 1.00 37.59 ATOM 582 CA LYS 39 54.257 -7.962 -14.249 1.00 35.02 ATOM 583 HA LYS 39 53.420 -7.328 -14.504 1.00 14.11 ATOM 584 CB LYS 39 55.377 -7.084 -13.668 1.00 14.14 ATOM 585 HB1 LYS 39 56.081 -7.720 -13.149 1.00 37.59 ATOM 586 HB2 LYS 39 54.943 -6.395 -12.956 1.00 52.11 ATOM 587 CG LYS 39 56.144 -6.273 -14.707 1.00 40.54 ATOM 588 HG1 LYS 39 55.441 -5.699 -15.295 1.00 37.59 ATOM 589 HG2 LYS 39 56.682 -6.954 -15.351 1.00 1.35 ATOM 590 CD LYS 39 57.143 -5.319 -14.054 1.00 73.24 ATOM 591 HD1 LYS 39 57.731 -5.868 -13.333 1.00 37.59 ATOM 592 HD2 LYS 39 56.599 -4.531 -13.550 1.00 24.34 ATOM 593 CE LYS 39 58.079 -4.694 -15.079 1.00 44.33 ATOM 594 HE1 LYS 39 58.694 -3.955 -14.585 1.00 37.59 ATOM 595 HE2 LYS 39 57.489 -4.214 -15.847 1.00 73.12 ATOM 596 NZ LYS 39 58.962 -5.711 -15.713 1.00 24.31 ATOM 597 HZ1 LYS 39 59.557 -6.172 -14.991 1.00 34.21 ATOM 598 HZ2 LYS 39 59.582 -5.261 -16.415 1.00 42.02 ATOM 599 HZ3 LYS 39 58.393 -6.439 -16.189 1.00 14.14 ATOM 600 C LYS 39 54.735 -8.674 -15.528 1.00 11.31 ATOM 601 O LYS 39 54.207 -8.431 -16.615 1.00 65.52 ATOM 602 N GLU 40 55.728 -9.551 -15.392 1.00 63.31 ATOM 603 HN GLU 40 56.127 -9.686 -14.504 1.00 37.59 ATOM 604 CA GLU 40 56.256 -10.311 -16.533 1.00 42.24 ATOM 605 HA GLU 40 56.697 -9.601 -17.218 1.00 13.24 ATOM 606 CB GLU 40 57.353 -11.275 -16.054 1.00 35.03 ATOM 607 HB1 GLU 40 58.192 -10.693 -15.702 1.00 37.59 ATOM 608 HB2 GLU 40 57.675 -11.881 -16.890 1.00 43.35 ATOM 609 CG GLU 40 56.913 -12.207 -14.926 1.00 72.13 ATOM 610 HG1 GLU 40 56.150 -12.874 -15.305 1.00 37.59 ATOM 611 HG2 GLU 40 56.496 -11.610 -14.126 1.00 13.32 ATOM 612 CD GLU 40 58.057 -13.038 -14.364 1.00 64.32 ATOM 613 OE1 GLU 40 58.113 -14.253 -14.641 1.00 62.23 ATOM 614 OE2 GLU 40 58.905 -12.477 -13.637 1.00 52.20 ATOM 615 C GLU 40 55.145 -11.077 -17.278 1.00 70.31 ATOM 616 O GLU 40 55.061 -11.025 -18.505 1.00 54.10 ATOM 617 N ALA 41 54.278 -11.756 -16.528 1.00 4.15 ATOM 618 HN ALA 41 54.382 -11.740 -15.556 1.00 37.59 ATOM 619 CA ALA 41 53.172 -12.522 -17.114 1.00 62.14 ATOM 620 HA ALA 41 53.599 -13.263 -17.777 1.00 0.22 ATOM 621 CB ALA 41 52.402 -13.256 -16.019 1.00 54.41 ATOM 622 HB1 ALA 41 51.985 -12.538 -15.327 1.00 51.10 ATOM 623 HB2 ALA 41 53.070 -13.919 -15.489 1.00 74.22 ATOM 624 HB3 ALA 41 51.602 -13.832 -16.463 1.00 44.12 ATOM 625 C ALA 41 52.223 -11.623 -17.924 1.00 60.22 ATOM 626 O ALA 41 51.671 -12.042 -18.942 1.00 65.20 ATOM 627 N LEU 42 52.040 -10.387 -17.466 1.00 2.22 ATOM 628 HN LEU 42 52.490 -10.114 -16.636 1.00 37.59 ATOM 629 CA LEU 42 51.186 -9.420 -18.164 1.00 42.34 ATOM 630 HA LEU 42 50.262 -9.918 -18.417 1.00 54.13 ATOM 631 CB LEU 42 50.876 -8.234 -17.222 1.00 22.32 ATOM 632 HB1 LEU 42 51.792 -7.678 -17.076 1.00 37.59 ATOM 633 HB2 LEU 42 50.576 -8.643 -16.268 1.00 44.05 ATOM 634 CG LEU 42 49.779 -7.243 -17.683 1.00 1.24 ATOM 635 HG LEU 42 48.947 -7.800 -18.091 1.00 3.31 ATOM 636 CD1 LEU 42 49.256 -6.431 -16.495 1.00 65.32 ATOM 637 HD11 LEU 42 48.506 -5.731 -16.837 1.00 75.03 ATOM 638 HD12 LEU 42 50.070 -5.888 -16.038 1.00 44.32 ATOM 639 HD13 LEU 42 48.816 -7.098 -15.767 1.00 64.14 ATOM 640 CD2 LEU 42 50.294 -6.298 -18.772 1.00 12.03 ATOM 641 HD21 LEU 42 50.585 -6.871 -19.639 1.00 1.15 ATOM 642 HD22 LEU 42 51.149 -5.750 -18.401 1.00 31.42 ATOM 643 HD23 LEU 42 49.514 -5.603 -19.046 1.00 71.41 ATOM 644 C LEU 42 51.860 -8.939 -19.460 1.00 15.41 ATOM 645 O LEU 42 51.259 -8.973 -20.536 1.00 12.13 ATOM 646 N LEU 43 53.116 -8.504 -19.349 1.00 72.24 ATOM 647 HN LEU 43 53.550 -8.530 -18.469 1.00 37.59 ATOM 648 CA LEU 43 53.867 -7.984 -20.499 1.00 20.13 ATOM 649 HA LEU 43 53.301 -7.160 -20.910 1.00 71.22 ATOM 650 CB LEU 43 55.235 -7.460 -20.043 1.00 44.32 ATOM 651 HB1 LEU 43 55.781 -7.134 -20.918 1.00 37.59 ATOM 652 HB2 LEU 43 55.776 -8.279 -19.589 1.00 54.34 ATOM 653 CG LEU 43 55.190 -6.291 -19.040 1.00 22.51 ATOM 654 HG LEU 43 54.688 -6.621 -18.141 1.00 5.42 ATOM 655 CD1 LEU 43 56.599 -5.851 -18.649 1.00 51.22 ATOM 656 HD11 LEU 43 56.539 -5.043 -17.933 1.00 23.01 ATOM 657 HD12 LEU 43 57.132 -5.512 -19.526 1.00 22.04 ATOM 658 HD13 LEU 43 57.128 -6.683 -18.206 1.00 31.51 ATOM 659 CD2 LEU 43 54.399 -5.113 -19.612 1.00 45.40 ATOM 660 HD21 LEU 43 53.384 -5.424 -19.817 1.00 74.33 ATOM 661 HD22 LEU 43 54.862 -4.775 -20.528 1.00 52.14 ATOM 662 HD23 LEU 43 54.387 -4.304 -18.896 1.00 51.52 ATOM 663 C LEU 43 54.051 -9.043 -21.600 1.00 55.53 ATOM 664 O LEU 43 53.925 -8.740 -22.789 1.00 44.01 ATOM 665 N GLU 44 54.356 -10.278 -21.203 1.00 4.22 ATOM 666 HN GLU 44 54.478 -10.454 -20.246 1.00 37.59 ATOM 667 CA GLU 44 54.525 -11.382 -22.159 1.00 14.53 ATOM 668 HA GLU 44 55.290 -11.091 -22.865 1.00 35.14 ATOM 669 CB GLU 44 54.982 -12.654 -21.428 1.00 24.24 ATOM 670 HB1 GLU 44 54.980 -13.479 -22.128 1.00 37.59 ATOM 671 HB2 GLU 44 54.279 -12.868 -20.635 1.00 1.42 ATOM 672 CG GLU 44 56.375 -12.554 -20.811 1.00 22.54 ATOM 673 HG1 GLU 44 56.579 -13.467 -20.268 1.00 37.59 ATOM 674 HG2 GLU 44 56.392 -11.721 -20.122 1.00 15.23 ATOM 675 CD GLU 44 57.467 -12.353 -21.848 1.00 43.14 ATOM 676 OE1 GLU 44 57.787 -13.320 -22.571 1.00 43.04 ATOM 677 OE2 GLU 44 58.019 -11.237 -21.939 1.00 40.22 ATOM 678 C GLU 44 53.226 -11.661 -22.933 1.00 55.13 ATOM 679 O GLU 44 53.231 -11.766 -24.160 1.00 1.05 ATOM 680 N CYS 45 52.113 -11.773 -22.211 1.00 21.04 ATOM 681 HN CYS 45 52.166 -11.695 -21.233 1.00 37.59 ATOM 682 CA CYS 45 50.808 -12.017 -22.841 1.00 60.50 ATOM 683 HA CYS 45 50.911 -12.891 -23.471 1.00 12.34 ATOM 684 CB CYS 45 49.743 -12.306 -21.779 1.00 74.10 ATOM 685 HB1 CYS 45 48.780 -12.412 -22.259 1.00 37.59 ATOM 686 HB2 CYS 45 49.705 -11.481 -21.083 1.00 4.25 ATOM 687 SG CYS 45 50.051 -13.815 -20.826 1.00 31.11 ATOM 688 HG CYS 45 50.434 -13.456 -19.607 1.00 34.24 ATOM 689 C CYS 45 50.376 -10.833 -23.721 1.00 61.45 ATOM 690 O CYS 45 49.780 -11.022 -24.779 1.00 32.52 ATOM 691 N ALA 46 50.687 -9.614 -23.285 1.00 54.50 ATOM 692 HN ALA 46 51.124 -9.517 -22.412 1.00 37.59 ATOM 693 CA ALA 46 50.387 -8.412 -24.074 1.00 24.42 ATOM 694 HA ALA 46 49.318 -8.383 -24.240 1.00 5.23 ATOM 695 CB ALA 46 50.779 -7.159 -23.296 1.00 74.30 ATOM 696 HB1 ALA 46 51.842 -7.172 -23.104 1.00 71.54 ATOM 697 HB2 ALA 46 50.244 -7.132 -22.357 1.00 50.40 ATOM 698 HB3 ALA 46 50.530 -6.281 -23.876 1.00 72.54 ATOM 699 C ALA 46 51.099 -8.442 -25.438 1.00 64.55 ATOM 700 O ALA 46 50.537 -8.033 -26.458 1.00 20.41 ATOM 701 N ASP 47 52.338 -8.936 -25.450 1.00 23.03 ATOM 702 HN ASP 47 52.748 -9.216 -24.602 1.00 37.59 ATOM 703 CA ASP 47 53.113 -9.062 -26.690 1.00 25.42 ATOM 704 HA ASP 47 53.150 -8.087 -27.156 1.00 65.20 ATOM 705 CB ASP 47 54.542 -9.514 -26.362 1.00 0.44 ATOM 706 HB1 ASP 47 54.525 -10.554 -26.065 1.00 37.59 ATOM 707 HB2 ASP 47 54.920 -8.921 -25.539 1.00 64.22 ATOM 708 CG ASP 47 55.491 -9.361 -27.539 1.00 33.01 ATOM 709 OD1 ASP 47 56.155 -8.309 -27.641 1.00 51.41 ATOM 710 OD2 ASP 47 55.581 -10.293 -28.368 1.00 14.23 ATOM 711 C ASP 47 52.439 -10.052 -27.664 1.00 13.34 ATOM 712 O ASP 47 52.538 -9.917 -28.886 1.00 53.41 ATOM 713 N LEU 48 51.743 -11.046 -27.111 1.00 55.43 ATOM 714 HN LEU 48 51.746 -11.144 -26.135 1.00 37.59 ATOM 715 CA LEU 48 50.979 -11.999 -27.925 1.00 12.50 ATOM 716 HA LEU 48 51.665 -12.454 -28.625 1.00 25.22 ATOM 717 CB LEU 48 50.375 -13.097 -27.040 1.00 12.22 ATOM 718 HB1 LEU 48 49.645 -13.643 -27.623 1.00 37.59 ATOM 719 HB2 LEU 48 49.864 -12.622 -26.214 1.00 33.03 ATOM 720 CG LEU 48 51.382 -14.106 -26.469 1.00 52.52 ATOM 721 HG LEU 48 52.139 -13.573 -25.910 1.00 71.05 ATOM 722 CD1 LEU 48 50.690 -15.076 -25.516 1.00 71.41 ATOM 723 HD11 LEU 48 51.408 -15.792 -25.145 1.00 31.14 ATOM 724 HD12 LEU 48 49.900 -15.597 -26.038 1.00 65.04 ATOM 725 HD13 LEU 48 50.269 -14.527 -24.685 1.00 55.35 ATOM 726 CD2 LEU 48 52.076 -14.863 -27.602 1.00 11.31 ATOM 727 HD21 LEU 48 51.335 -15.377 -28.199 1.00 54.41 ATOM 728 HD22 LEU 48 52.765 -15.582 -27.186 1.00 11.51 ATOM 729 HD23 LEU 48 52.617 -14.165 -28.224 1.00 54.44 ATOM 730 C LEU 48 49.868 -11.298 -28.719 1.00 22.24 ATOM 731 O LEU 48 49.595 -11.654 -29.864 1.00 73.41 ATOM 732 N LEU 49 49.234 -10.298 -28.110 1.00 12.33 ATOM 733 HN LEU 49 49.479 -10.067 -27.187 1.00 37.59 ATOM 734 CA LEU 49 48.181 -9.532 -28.786 1.00 44.12 ATOM 735 HA LEU 49 47.470 -10.246 -29.180 1.00 61.13 ATOM 736 CB LEU 49 47.447 -8.606 -27.801 1.00 74.31 ATOM 737 HB1 LEU 49 46.950 -7.829 -28.366 1.00 37.59 ATOM 738 HB2 LEU 49 48.183 -8.141 -27.159 1.00 3.23 ATOM 739 CG LEU 49 46.395 -9.296 -26.912 1.00 20.23 ATOM 740 HG LEU 49 45.666 -9.782 -27.547 1.00 21.40 ATOM 741 CD1 LEU 49 47.034 -10.371 -26.042 1.00 2.44 ATOM 742 HD11 LEU 49 47.755 -9.918 -25.377 1.00 11.15 ATOM 743 HD12 LEU 49 47.533 -11.094 -26.672 1.00 30.44 ATOM 744 HD13 LEU 49 46.271 -10.868 -25.461 1.00 24.24 ATOM 745 CD2 LEU 49 45.655 -8.271 -26.054 1.00 74.21 ATOM 746 HD21 LEU 49 45.151 -7.561 -26.695 1.00 13.11 ATOM 747 HD22 LEU 49 46.361 -7.746 -25.424 1.00 13.25 ATOM 748 HD23 LEU 49 44.926 -8.776 -25.435 1.00 61.15 ATOM 749 C LEU 49 48.744 -8.727 -29.963 1.00 24.12 ATOM 750 O LEU 49 48.180 -8.744 -31.055 1.00 3.04 ATOM 751 N SER 50 49.866 -8.036 -29.750 1.00 15.52 ATOM 752 HN SER 50 50.267 -8.034 -28.854 1.00 37.59 ATOM 753 CA SER 50 50.517 -7.281 -30.835 1.00 35.12 ATOM 754 HA SER 50 49.806 -6.550 -31.197 1.00 61.53 ATOM 755 CB SER 50 51.771 -6.548 -30.330 1.00 10.30 ATOM 756 HB1 SER 50 51.509 -5.949 -29.471 1.00 37.59 ATOM 757 HB2 SER 50 52.151 -5.907 -31.112 1.00 65.00 ATOM 758 OG SER 50 52.794 -7.458 -29.957 1.00 22.22 ATOM 759 HG SER 50 53.499 -6.979 -29.500 1.00 32.25 ATOM 760 C SER 50 50.895 -8.213 -31.995 1.00 12.11 ATOM 761 O SER 50 50.691 -7.888 -33.165 1.00 11.31 ATOM 762 N SER 51 51.438 -9.380 -31.657 1.00 34.13 ATOM 763 HN SER 51 51.627 -9.558 -30.709 1.00 37.59 ATOM 764 CA SER 51 51.786 -10.398 -32.658 1.00 61.43 ATOM 765 HA SER 51 52.450 -9.941 -33.377 1.00 53.55 ATOM 766 CB SER 51 52.513 -11.571 -31.987 1.00 1.01 ATOM 767 HB1 SER 51 51.886 -11.982 -31.208 1.00 37.59 ATOM 768 HB2 SER 51 53.438 -11.219 -31.553 1.00 45.11 ATOM 769 OG SER 51 52.814 -12.597 -32.920 1.00 51.43 ATOM 770 HG SER 51 53.732 -12.510 -33.207 1.00 64.02 ATOM 771 C SER 51 50.541 -10.917 -33.396 1.00 21.23 ATOM 772 O SER 51 50.501 -10.949 -34.627 1.00 3.25 ATOM 773 N ALA 52 49.513 -11.282 -32.637 1.00 3.12 ATOM 774 HN ALA 52 49.575 -11.162 -31.668 1.00 37.59 ATOM 775 CA ALA 52 48.289 -11.863 -33.204 1.00 64.23 ATOM 776 HA ALA 52 48.579 -12.712 -33.809 1.00 54.52 ATOM 777 CB ALA 52 47.387 -12.375 -32.084 1.00 22.42 ATOM 778 HB1 ALA 52 47.067 -11.545 -31.470 1.00 74.24 ATOM 779 HB2 ALA 52 47.933 -13.081 -31.475 1.00 23.21 ATOM 780 HB3 ALA 52 46.521 -12.862 -32.509 1.00 43.13 ATOM 781 C ALA 52 47.531 -10.862 -34.095 1.00 64.04 ATOM 782 O ALA 52 47.021 -11.222 -35.155 1.00 14.52 ATOM 783 N LEU 53 47.475 -9.601 -33.669 1.00 10.01 ATOM 784 HN LEU 53 47.911 -9.366 -32.823 1.00 37.59 ATOM 785 CA LEU 53 46.775 -8.553 -34.427 1.00 34.24 ATOM 786 HA LEU 53 45.783 -8.921 -34.648 1.00 34.40 ATOM 787 CB LEU 53 46.647 -7.281 -33.572 1.00 65.34 ATOM 788 HB1 LEU 53 46.268 -6.485 -34.198 1.00 37.59 ATOM 789 HB2 LEU 53 47.635 -7.005 -33.229 1.00 1.42 ATOM 790 CG LEU 53 45.728 -7.407 -32.345 1.00 25.14 ATOM 791 HG LEU 53 46.071 -8.228 -31.730 1.00 62.32 ATOM 792 CD1 LEU 53 45.782 -6.141 -31.497 1.00 13.13 ATOM 793 HD11 LEU 53 45.448 -5.296 -32.083 1.00 24.43 ATOM 794 HD12 LEU 53 46.798 -5.972 -31.168 1.00 70.44 ATOM 795 HD13 LEU 53 45.141 -6.257 -30.634 1.00 25.34 ATOM 796 CD2 LEU 53 44.294 -7.709 -32.776 1.00 45.02 ATOM 797 HD21 LEU 53 43.669 -7.811 -31.900 1.00 34.45 ATOM 798 HD22 LEU 53 44.273 -8.629 -33.340 1.00 44.50 ATOM 799 HD23 LEU 53 43.922 -6.901 -33.389 1.00 35.34 ATOM 800 C LEU 53 47.478 -8.227 -35.758 1.00 64.30 ATOM 801 O LEU 53 46.923 -7.522 -36.604 1.00 41.21 ATOM 802 N THR 54 48.697 -8.736 -35.944 1.00 25.03 ATOM 803 HN THR 54 49.097 -9.281 -35.235 1.00 37.59 ATOM 804 CA THR 54 49.454 -8.503 -37.187 1.00 23.24 ATOM 805 HA THR 54 48.997 -7.663 -37.695 1.00 35.11 ATOM 806 CB THR 54 50.938 -8.138 -36.904 1.00 3.14 ATOM 807 HB THR 54 51.446 -8.004 -37.850 1.00 73.33 ATOM 808 OG1 THR 54 51.591 -9.189 -36.176 1.00 24.02 ATOM 809 HG1 THR 54 51.216 -9.242 -35.289 1.00 53.44 ATOM 810 CG2 THR 54 51.043 -6.836 -36.115 1.00 62.21 ATOM 811 HG21 THR 54 50.532 -6.944 -35.170 1.00 51.12 ATOM 812 HG22 THR 54 50.591 -6.032 -36.678 1.00 60.35 ATOM 813 HG23 THR 54 52.084 -6.606 -35.936 1.00 55.11 ATOM 814 C THR 54 49.402 -9.720 -38.130 1.00 24.14 ATOM 815 O THR 54 50.005 -9.709 -39.204 1.00 25.24 ATOM 816 N GLU 55 48.665 -10.759 -37.733 1.00 73.21 ATOM 817 HN GLU 55 48.218 -10.717 -36.861 1.00 37.59 ATOM 818 CA GLU 55 48.499 -11.965 -38.563 1.00 4.31 ATOM 819 HA GLU 55 48.822 -11.727 -39.568 1.00 3.42 ATOM 820 CB GLU 55 49.366 -13.114 -38.019 1.00 61.50 ATOM 821 HB1 GLU 55 50.400 -12.798 -38.019 1.00 37.59 ATOM 822 HB2 GLU 55 49.264 -13.969 -38.673 1.00 22.32 ATOM 823 CG GLU 55 49.003 -13.550 -36.605 1.00 24.32 ATOM 824 HG1 GLU 55 47.958 -13.829 -36.585 1.00 37.59 ATOM 825 HG2 GLU 55 49.161 -12.717 -35.934 1.00 25.23 ATOM 826 CD GLU 55 49.834 -14.729 -36.121 1.00 40.13 ATOM 827 OE1 GLU 55 50.990 -14.513 -35.700 1.00 43.31 ATOM 828 OE2 GLU 55 49.336 -15.875 -36.154 1.00 42.51 ATOM 829 C GLU 55 47.024 -12.403 -38.610 1.00 50.35 ATOM 830 O GLU 55 46.253 -12.097 -37.700 1.00 3.01 ATOM 831 N PRO 56 46.595 -13.104 -39.681 1.00 35.13 ATOM 832 CA PRO 56 45.221 -13.625 -39.767 1.00 42.05 ATOM 833 HA PRO 56 44.496 -12.822 -39.751 1.00 2.52 ATOM 834 CB PRO 56 45.183 -14.327 -41.135 1.00 65.34 ATOM 835 HB1 PRO 56 44.237 -14.128 -41.619 1.00 37.59 ATOM 836 HB2 PRO 56 45.304 -15.395 -41.004 1.00 31.20 ATOM 837 CG PRO 56 46.320 -13.741 -41.904 1.00 74.14 ATOM 838 HG1 PRO 56 45.996 -12.845 -42.414 1.00 37.59 ATOM 839 HG2 PRO 56 46.694 -14.463 -42.616 1.00 35.34 ATOM 840 CD PRO 56 47.381 -13.408 -40.888 1.00 64.12 ATOM 841 HD1 PRO 56 47.953 -12.547 -41.204 1.00 37.59 ATOM 842 HD2 PRO 56 48.032 -14.256 -40.724 1.00 55.10 ATOM 843 C PRO 56 44.899 -14.625 -38.642 1.00 61.14 ATOM 844 O PRO 56 45.557 -15.664 -38.493 1.00 52.00 ATOM 845 N VAL 57 43.870 -14.303 -37.865 1.00 73.53 ATOM 846 HN VAL 57 43.396 -13.465 -38.042 1.00 37.59 ATOM 847 CA VAL 57 43.415 -15.139 -36.748 1.00 21.53 ATOM 848 HA VAL 57 43.733 -16.157 -36.936 1.00 31.11 ATOM 849 CB VAL 57 44.039 -14.667 -35.404 1.00 13.43 ATOM 850 HB VAL 57 43.520 -15.161 -34.593 1.00 15.24 ATOM 851 CG1 VAL 57 45.519 -15.041 -35.315 1.00 25.03 ATOM 852 HG11 VAL 57 45.628 -16.112 -35.406 1.00 72.53 ATOM 853 HG12 VAL 57 45.916 -14.721 -34.362 1.00 40.35 ATOM 854 HG13 VAL 57 46.067 -14.554 -36.111 1.00 60.23 ATOM 855 CG2 VAL 57 43.861 -13.162 -35.235 1.00 0.14 ATOM 856 HG21 VAL 57 44.312 -12.846 -34.306 1.00 43.14 ATOM 857 HG22 VAL 57 42.808 -12.921 -35.221 1.00 41.25 ATOM 858 HG23 VAL 57 44.336 -12.645 -36.057 1.00 62.24 ATOM 859 C VAL 57 41.877 -15.111 -36.638 1.00 2.44 ATOM 860 O VAL 57 41.240 -14.165 -37.107 1.00 22.35 ATOM 861 N PRO 58 41.252 -16.145 -36.043 1.00 55.01 ATOM 862 CA PRO 58 39.792 -16.163 -35.840 1.00 11.44 ATOM 863 HA PRO 58 39.269 -15.935 -36.760 1.00 51.25 ATOM 864 CB PRO 58 39.509 -17.617 -35.442 1.00 52.33 ATOM 865 HB1 PRO 58 39.245 -18.186 -36.323 1.00 37.59 ATOM 866 HB2 PRO 58 38.694 -17.653 -34.731 1.00 23.12 ATOM 867 CG PRO 58 40.785 -18.109 -34.841 1.00 64.42 ATOM 868 HG1 PRO 58 40.878 -19.174 -34.999 1.00 37.59 ATOM 869 HG2 PRO 58 40.802 -17.885 -33.783 1.00 20.04 ATOM 870 CD PRO 58 41.900 -17.377 -35.549 1.00 4.12 ATOM 871 HD1 PRO 58 42.279 -17.968 -36.371 1.00 37.59 ATOM 872 HD2 PRO 58 42.696 -17.140 -34.857 1.00 1.13 ATOM 873 C PRO 58 39.322 -15.184 -34.741 1.00 62.01 ATOM 874 O PRO 58 39.981 -15.022 -33.709 1.00 32.43 ATOM 875 N ASN 59 38.173 -14.544 -34.975 1.00 10.42 ATOM 876 HN ASN 59 37.690 -14.736 -35.806 1.00 37.59 ATOM 877 CA ASN 59 37.603 -13.554 -34.044 1.00 31.45 ATOM 878 HA ASN 59 38.248 -12.686 -34.053 1.00 70.43 ATOM 879 CB ASN 59 36.208 -13.134 -34.532 1.00 24.21 ATOM 880 HB1 ASN 59 35.598 -14.017 -34.651 1.00 37.59 ATOM 881 HB2 ASN 59 36.302 -12.639 -35.488 1.00 50.23 ATOM 882 CG ASN 59 35.503 -12.190 -33.571 1.00 52.23 ATOM 883 OD1 ASN 59 34.786 -12.619 -32.673 1.00 24.13 ATOM 884 ND2 ASN 59 35.700 -10.900 -33.750 1.00 2.50 ATOM 885 HD21 ASN 59 36.283 -10.616 -34.483 1.00 43.11 ATOM 886 HD22 ASN 59 35.250 -10.282 -33.143 1.00 35.03 ATOM 887 C ASN 59 37.511 -14.088 -32.605 1.00 53.32 ATOM 888 O ASN 59 37.936 -13.425 -31.656 1.00 63.01 ATOM 889 N SER 60 36.954 -15.287 -32.455 1.00 23.52 ATOM 890 HN SER 60 36.653 -15.773 -33.255 1.00 37.59 ATOM 891 CA SER 60 36.766 -15.904 -31.132 1.00 61.23 ATOM 892 HA SER 60 36.088 -15.275 -30.574 1.00 4.22 ATOM 893 CB SER 60 36.136 -17.295 -31.281 1.00 53.41 ATOM 894 HB1 SER 60 35.978 -17.725 -30.302 1.00 37.59 ATOM 895 HB2 SER 60 36.797 -17.932 -31.850 1.00 20.04 ATOM 896 OG SER 60 34.886 -17.220 -31.955 1.00 0.45 ATOM 897 HG SER 60 34.411 -18.052 -31.838 1.00 54.22 ATOM 898 C SER 60 38.087 -16.008 -30.352 1.00 2.35 ATOM 899 O SER 60 38.112 -15.837 -29.129 1.00 5.12 ATOM 900 N GLN 61 39.180 -16.282 -31.067 1.00 51.51 ATOM 901 HN GLN 61 39.088 -16.449 -32.029 1.00 37.59 ATOM 902 CA GLN 61 40.513 -16.346 -30.457 1.00 52.23 ATOM 903 HA GLN 61 40.449 -16.994 -29.593 1.00 35.12 ATOM 904 CB GLN 61 41.528 -16.939 -31.445 1.00 22.15 ATOM 905 HB1 GLN 61 41.560 -16.317 -32.330 1.00 37.59 ATOM 906 HB2 GLN 61 41.199 -17.930 -31.728 1.00 10.24 ATOM 907 CG GLN 61 42.945 -17.051 -30.885 1.00 5.23 ATOM 908 HG1 GLN 61 42.922 -17.681 -30.008 1.00 37.59 ATOM 909 HG2 GLN 61 43.287 -16.063 -30.607 1.00 5.13 ATOM 910 CD GLN 61 43.928 -17.642 -31.882 1.00 4.12 ATOM 911 OE1 GLN 61 43.566 -18.453 -32.728 1.00 53.32 ATOM 912 NE2 GLN 61 45.180 -17.249 -31.788 1.00 60.15 ATOM 913 HE21 GLN 61 45.413 -16.605 -31.092 1.00 24.20 ATOM 914 HE22 GLN 61 45.826 -17.617 -32.428 1.00 2.31 ATOM 915 C GLN 61 40.976 -14.955 -29.994 1.00 33.14 ATOM 916 O GLN 61 41.492 -14.801 -28.889 1.00 13.03 ATOM 917 N LEU 62 40.776 -13.946 -30.845 1.00 24.14 ATOM 918 HN LEU 62 40.393 -14.139 -31.729 1.00 37.59 ATOM 919 CA LEU 62 41.112 -12.555 -30.499 1.00 11.43 ATOM 920 HA LEU 62 42.181 -12.504 -30.343 1.00 54.20 ATOM 921 CB LEU 62 40.732 -11.614 -31.653 1.00 1.03 ATOM 922 HB1 LEU 62 40.737 -10.597 -31.281 1.00 37.59 ATOM 923 HB2 LEU 62 39.725 -11.856 -31.967 1.00 34.14 ATOM 924 CG LEU 62 41.650 -11.679 -32.881 1.00 54.32 ATOM 925 HG LEU 62 41.712 -12.703 -33.222 1.00 35.44 ATOM 926 CD1 LEU 62 41.085 -10.839 -34.027 1.00 42.51 ATOM 927 HD11 LEU 62 40.096 -11.194 -34.280 1.00 25.50 ATOM 928 HD12 LEU 62 41.729 -10.929 -34.890 1.00 13.55 ATOM 929 HD13 LEU 62 41.030 -9.803 -33.725 1.00 52.31 ATOM 930 CD2 LEU 62 43.062 -11.218 -32.515 1.00 12.13 ATOM 931 HD21 LEU 62 43.463 -11.860 -31.744 1.00 41.34 ATOM 932 HD22 LEU 62 43.029 -10.200 -32.154 1.00 22.31 ATOM 933 HD23 LEU 62 43.696 -11.268 -33.389 1.00 24.51 ATOM 934 C LEU 62 40.403 -12.106 -29.214 1.00 54.04 ATOM 935 O LEU 62 41.017 -11.512 -28.326 1.00 63.22 ATOM 936 N VAL 63 39.108 -12.395 -29.124 1.00 1.23 ATOM 937 HN VAL 63 38.673 -12.866 -29.868 1.00 37.59 ATOM 938 CA VAL 63 38.314 -12.024 -27.950 1.00 44.04 ATOM 939 HA VAL 63 38.403 -10.952 -27.819 1.00 0.41 ATOM 940 CB VAL 63 36.813 -12.362 -28.150 1.00 33.33 ATOM 941 HB VAL 63 36.721 -13.434 -28.263 1.00 51.12 ATOM 942 CG1 VAL 63 35.985 -11.942 -26.932 1.00 43.13 ATOM 943 HG11 VAL 63 36.336 -12.470 -26.057 1.00 52.13 ATOM 944 HG12 VAL 63 34.943 -12.179 -27.099 1.00 64.43 ATOM 945 HG13 VAL 63 36.089 -10.877 -26.772 1.00 31.23 ATOM 946 CG2 VAL 63 36.281 -11.704 -29.423 1.00 3.23 ATOM 947 HG21 VAL 63 35.243 -11.975 -29.564 1.00 42.15 ATOM 948 HG22 VAL 63 36.858 -12.041 -30.272 1.00 12.23 ATOM 949 HG23 VAL 63 36.363 -10.630 -29.337 1.00 74.40 ATOM 950 C VAL 63 38.832 -12.714 -26.676 1.00 20.31 ATOM 951 O VAL 63 38.939 -12.087 -25.625 1.00 54.21 ATOM 952 N ASP 64 39.167 -14.000 -26.778 1.00 52.42 ATOM 953 HN ASP 64 39.084 -14.449 -27.648 1.00 37.59 ATOM 954 CA ASP 64 39.659 -14.763 -25.622 1.00 41.34 ATOM 955 HA ASP 64 38.991 -14.565 -24.794 1.00 3.22 ATOM 956 CB ASP 64 39.630 -16.264 -25.928 1.00 5.10 ATOM 957 HB1 ASP 64 40.252 -16.462 -26.789 1.00 37.59 ATOM 958 HB2 ASP 64 38.613 -16.563 -26.150 1.00 32.02 ATOM 959 CG ASP 64 40.133 -17.099 -24.762 1.00 20.52 ATOM 960 OD1 ASP 64 39.389 -17.262 -23.773 1.00 30.14 ATOM 961 OD2 ASP 64 41.284 -17.583 -24.820 1.00 4.04 ATOM 962 C ASP 64 41.083 -14.332 -25.212 1.00 33.14 ATOM 963 O ASP 64 41.334 -14.006 -24.048 1.00 31.02 ATOM 964 N THR 65 42.013 -14.343 -26.169 1.00 43.21 ATOM 965 HN THR 65 41.767 -14.646 -27.069 1.00 37.59 ATOM 966 CA THR 65 43.403 -13.928 -25.910 1.00 1.31 ATOM 967 HA THR 65 43.789 -14.554 -25.117 1.00 13.23 ATOM 968 CB THR 65 44.297 -14.126 -27.161 1.00 10.45 ATOM 969 HB THR 65 43.919 -13.499 -27.959 1.00 51.23 ATOM 970 OG1 THR 65 44.244 -15.500 -27.585 1.00 61.01 ATOM 971 HG1 THR 65 45.141 -15.819 -27.755 1.00 24.44 ATOM 972 CG2 THR 65 45.750 -13.743 -26.883 1.00 4.53 ATOM 973 HG21 THR 65 46.335 -13.875 -27.782 1.00 3.53 ATOM 974 HG22 THR 65 46.146 -14.373 -26.102 1.00 20.14 ATOM 975 HG23 THR 65 45.798 -12.709 -26.571 1.00 43.24 ATOM 976 C THR 65 43.469 -12.461 -25.454 1.00 60.10 ATOM 977 O THR 65 44.344 -12.074 -24.683 1.00 12.11 ATOM 978 N GLY 66 42.538 -11.645 -25.935 1.00 35.01 ATOM 979 HN GLY 66 41.941 -11.964 -26.644 1.00 37.59 ATOM 980 CA GLY 66 42.406 -10.284 -25.433 1.00 42.31 ATOM 981 HA1 GLY 66 41.792 -9.718 -26.119 1.00 37.59 ATOM 982 HA2 GLY 66 43.385 -9.828 -25.384 1.00 64.01 ATOM 983 C GLY 66 41.764 -10.240 -24.046 1.00 22.54 ATOM 984 O GLY 66 42.132 -9.422 -23.202 1.00 25.22 ATOM 985 N HIS 67 40.808 -11.140 -23.811 1.00 52.15 ATOM 986 HN HIS 67 40.591 -11.791 -24.512 1.00 37.59 ATOM 987 CA HIS 67 40.065 -11.187 -22.548 1.00 61.43 ATOM 988 HA HIS 67 39.651 -10.203 -22.380 1.00 12.33 ATOM 989 CB HIS 67 38.909 -12.191 -22.654 1.00 34.15 ATOM 990 HB1 HIS 67 39.316 -13.188 -22.755 1.00 37.59 ATOM 991 HB2 HIS 67 38.323 -11.960 -23.531 1.00 52.23 ATOM 992 CG HIS 67 37.988 -12.185 -21.473 1.00 73.14 ATOM 993 ND1 HIS 67 37.732 -13.301 -20.706 1.00 1.33 ATOM 994 HD1 HIS 67 38.115 -14.194 -20.846 1.00 4.22 ATOM 995 CD2 HIS 67 37.248 -11.186 -20.935 1.00 40.35 ATOM 996 HD2 HIS 67 37.197 -10.164 -21.286 1.00 2.21 ATOM 997 CE1 HIS 67 36.880 -12.992 -19.749 1.00 40.15 ATOM 998 HE1 HIS 67 36.502 -13.667 -18.996 1.00 64.35 ATOM 999 NE2 HIS 67 36.570 -11.717 -19.867 1.00 3.30 ATOM 1000 HE2 HIS 67 36.051 -11.202 -19.210 1.00 37.59 ATOM 1001 C HIS 67 40.967 -11.546 -21.354 1.00 44.33 ATOM 1002 O HIS 67 40.731 -11.082 -20.237 1.00 41.23 ATOM 1003 N GLN 68 41.992 -12.371 -21.581 1.00 62.10 ATOM 1004 HN GLN 68 42.125 -12.739 -22.481 1.00 37.59 ATOM 1005 CA GLN 68 42.923 -12.737 -20.501 1.00 64.54 ATOM 1006 HA GLN 68 42.326 -13.113 -19.680 1.00 12.14 ATOM 1007 CB GLN 68 43.903 -13.840 -20.937 1.00 62.13 ATOM 1008 HB1 GLN 68 43.337 -14.723 -21.193 1.00 37.59 ATOM 1009 HB2 GLN 68 44.553 -14.074 -20.105 1.00 20.11 ATOM 1010 CG GLN 68 44.777 -13.472 -22.130 1.00 64.22 ATOM 1011 HG1 GLN 68 45.266 -12.530 -21.925 1.00 37.59 ATOM 1012 HG2 GLN 68 44.145 -13.361 -22.999 1.00 45.34 ATOM 1013 CD GLN 68 45.841 -14.516 -22.443 1.00 25.23 ATOM 1014 OE1 GLN 68 46.207 -14.719 -23.592 1.00 55.54 ATOM 1015 NE2 GLN 68 46.371 -15.162 -21.423 1.00 43.14 ATOM 1016 HE21 GLN 68 46.067 -14.943 -20.522 1.00 64.21 ATOM 1017 HE22 GLN 68 47.055 -15.834 -21.616 1.00 54.22 ATOM 1018 C GLN 68 43.697 -11.507 -20.002 1.00 23.40 ATOM 1019 O GLN 68 44.057 -11.428 -18.830 1.00 53.33 ATOM 1020 N LEU 69 43.939 -10.545 -20.891 1.00 24.11 ATOM 1021 HN LEU 69 43.685 -10.683 -21.829 1.00 37.59 ATOM 1022 CA LEU 69 44.581 -9.285 -20.500 1.00 1.13 ATOM 1023 HA LEU 69 45.517 -9.540 -20.019 1.00 5.01 ATOM 1024 CB LEU 69 44.884 -8.417 -21.733 1.00 22.14 ATOM 1025 HB1 LEU 69 44.804 -7.375 -21.452 1.00 37.59 ATOM 1026 HB2 LEU 69 44.135 -8.623 -22.485 1.00 62.14 ATOM 1027 CG LEU 69 46.272 -8.639 -22.361 1.00 22.13 ATOM 1028 HG LEU 69 46.344 -8.066 -23.273 1.00 64.32 ATOM 1029 CD1 LEU 69 47.374 -8.157 -21.420 1.00 22.02 ATOM 1030 HD11 LEU 69 48.336 -8.297 -21.889 1.00 20.35 ATOM 1031 HD12 LEU 69 47.337 -8.722 -20.499 1.00 63.31 ATOM 1032 HD13 LEU 69 47.229 -7.108 -21.205 1.00 74.20 ATOM 1033 CD2 LEU 69 46.475 -10.111 -22.713 1.00 51.23 ATOM 1034 HD21 LEU 69 46.439 -10.708 -21.814 1.00 15.32 ATOM 1035 HD22 LEU 69 47.436 -10.238 -23.192 1.00 53.13 ATOM 1036 HD23 LEU 69 45.694 -10.429 -23.388 1.00 41.35 ATOM 1037 C LEU 69 43.722 -8.517 -19.486 1.00 54.31 ATOM 1038 O LEU 69 44.249 -7.825 -18.618 1.00 3.14 ATOM 1039 N LEU 70 42.400 -8.650 -19.593 1.00 4.31 ATOM 1040 HN LEU 70 42.028 -9.118 -20.372 1.00 37.59 ATOM 1041 CA LEU 70 41.488 -8.101 -18.581 1.00 11.42 ATOM 1042 HA LEU 70 41.731 -7.055 -18.458 1.00 24.32 ATOM 1043 CB LEU 70 40.022 -8.222 -19.039 1.00 23.24 ATOM 1044 HB1 LEU 70 39.389 -8.209 -18.162 1.00 37.59 ATOM 1045 HB2 LEU 70 39.899 -9.179 -19.529 1.00 54.52 ATOM 1046 CG LEU 70 39.530 -7.124 -20.000 1.00 63.02 ATOM 1047 HG LEU 70 38.493 -7.308 -20.240 1.00 62.12 ATOM 1048 CD1 LEU 70 39.610 -5.754 -19.331 1.00 54.01 ATOM 1049 HD11 LEU 70 38.973 -5.741 -18.459 1.00 43.43 ATOM 1050 HD12 LEU 70 39.283 -4.994 -20.024 1.00 42.35 ATOM 1051 HD13 LEU 70 40.629 -5.554 -19.034 1.00 4.12 ATOM 1052 CD2 LEU 70 40.321 -7.133 -21.307 1.00 12.11 ATOM 1053 HD21 LEU 70 39.931 -6.372 -21.969 1.00 74.10 ATOM 1054 HD22 LEU 70 40.228 -8.100 -21.779 1.00 1.20 ATOM 1055 HD23 LEU 70 41.362 -6.931 -21.103 1.00 73.12 ATOM 1056 C LEU 70 41.684 -8.806 -17.229 1.00 44.43 ATOM 1057 O LEU 70 41.602 -8.179 -16.176 1.00 61.32 ATOM 1058 N ASP 71 41.949 -10.111 -17.275 1.00 71.43 ATOM 1059 HN ASP 71 41.944 -10.563 -18.144 1.00 37.59 ATOM 1060 CA ASP 71 42.249 -10.893 -16.070 1.00 51.41 ATOM 1061 HA ASP 71 41.424 -10.773 -15.382 1.00 14.43 ATOM 1062 CB ASP 71 42.381 -12.378 -16.447 1.00 1.20 ATOM 1063 HB1 ASP 71 43.178 -12.487 -17.171 1.00 37.59 ATOM 1064 HB2 ASP 71 41.455 -12.707 -16.898 1.00 25.34 ATOM 1065 CG ASP 71 42.679 -13.281 -15.261 1.00 23.22 ATOM 1066 OD1 ASP 71 43.867 -13.474 -14.939 1.00 12.53 ATOM 1067 OD2 ASP 71 41.724 -13.824 -14.661 1.00 61.00 ATOM 1068 C ASP 71 43.537 -10.377 -15.400 1.00 3.02 ATOM 1069 O ASP 71 43.551 -10.052 -14.205 1.00 13.51 ATOM 1070 N TYR 72 44.609 -10.278 -16.186 1.00 71.13 ATOM 1071 HN TYR 72 44.538 -10.568 -17.121 1.00 37.59 ATOM 1072 CA TYR 72 45.895 -9.769 -15.690 1.00 51.31 ATOM 1073 HA TYR 72 46.191 -10.390 -14.857 1.00 44.05 ATOM 1074 CB TYR 72 46.972 -9.861 -16.783 1.00 72.22 ATOM 1075 HB1 TYR 72 47.916 -9.521 -16.380 1.00 37.59 ATOM 1076 HB2 TYR 72 46.692 -9.223 -17.608 1.00 12.23 ATOM 1077 CG TYR 72 47.174 -11.264 -17.326 1.00 54.54 ATOM 1078 CD1 TYR 72 46.999 -11.541 -18.676 1.00 71.13 ATOM 1079 HD1 TYR 72 46.726 -10.738 -19.347 1.00 72.32 ATOM 1080 CD2 TYR 72 47.526 -12.312 -16.484 1.00 0.20 ATOM 1081 HD2 TYR 72 47.670 -12.115 -15.432 1.00 0.42 ATOM 1082 CE1 TYR 72 47.166 -12.819 -19.170 1.00 25.41 ATOM 1083 HE1 TYR 72 47.024 -13.014 -20.224 1.00 3.22 ATOM 1084 CE2 TYR 72 47.698 -13.592 -16.972 1.00 2.54 ATOM 1085 HE2 TYR 72 47.969 -14.392 -16.300 1.00 41.34 ATOM 1086 CZ TYR 72 47.515 -13.840 -18.315 1.00 23.34 ATOM 1087 OH TYR 72 47.678 -15.115 -18.804 1.00 23.14 ATOM 1088 HH TYR 72 47.211 -15.737 -18.238 1.00 3.13 ATOM 1089 C TYR 72 45.777 -8.318 -15.197 1.00 23.20 ATOM 1090 O TYR 72 46.250 -7.979 -14.115 1.00 15.12 ATOM 1091 N CYS 73 45.138 -7.468 -15.992 1.00 15.24 ATOM 1092 HN CYS 73 44.771 -7.796 -16.839 1.00 37.59 ATOM 1093 CA CYS 73 44.967 -6.051 -15.638 1.00 0.23 ATOM 1094 HA CYS 73 45.950 -5.645 -15.441 1.00 60.15 ATOM 1095 CB CYS 73 44.342 -5.275 -16.804 1.00 4.21 ATOM 1096 HB1 CYS 73 44.128 -4.265 -16.483 1.00 37.59 ATOM 1097 HB2 CYS 73 43.419 -5.756 -17.095 1.00 61.53 ATOM 1098 SG CYS 73 45.393 -5.169 -18.276 1.00 2.12 ATOM 1099 HG CYS 73 45.596 -6.400 -18.728 1.00 42.44 ATOM 1100 C CYS 73 44.105 -5.877 -14.377 1.00 24.11 ATOM 1101 O CYS 73 44.469 -5.134 -13.466 1.00 35.41 ATOM 1102 N SER 74 42.969 -6.577 -14.326 1.00 1.42 ATOM 1103 HN SER 74 42.746 -7.174 -15.071 1.00 37.59 ATOM 1104 CA SER 74 42.039 -6.479 -13.188 1.00 13.13 ATOM 1105 HA SER 74 41.749 -5.441 -13.094 1.00 61.15 ATOM 1106 CB SER 74 40.777 -7.322 -13.439 1.00 4.24 ATOM 1107 HB1 SER 74 41.044 -8.370 -13.464 1.00 37.59 ATOM 1108 HB2 SER 74 40.342 -7.042 -14.386 1.00 53.12 ATOM 1109 OG SER 74 39.806 -7.124 -12.419 1.00 32.22 ATOM 1110 HG SER 74 40.250 -6.951 -11.580 1.00 1.34 ATOM 1111 C SER 74 42.701 -6.920 -11.873 1.00 23.12 ATOM 1112 O SER 74 42.305 -6.480 -10.794 1.00 65.23 ATOM 1113 N GLY 75 43.689 -7.810 -11.966 1.00 53.53 ATOM 1114 HN GLY 75 43.909 -8.191 -12.845 1.00 37.59 ATOM 1115 CA GLY 75 44.432 -8.234 -10.782 1.00 25.30 ATOM 1116 HA1 GLY 75 44.788 -9.241 -10.941 1.00 37.59 ATOM 1117 HA2 GLY 75 43.766 -8.233 -9.930 1.00 32.23 ATOM 1118 C GLY 75 45.631 -7.336 -10.471 1.00 21.14 ATOM 1119 O GLY 75 45.845 -6.940 -9.325 1.00 3.22 ATOM 1120 N TYR 76 46.402 -7.000 -11.502 1.00 10.22 ATOM 1121 HN TYR 76 46.136 -7.282 -12.401 1.00 37.59 ATOM 1122 CA TYR 76 47.640 -6.223 -11.339 1.00 1.21 ATOM 1123 HA TYR 76 48.238 -6.715 -10.586 1.00 64.43 ATOM 1124 CB TYR 76 48.422 -6.215 -12.661 1.00 23.11 ATOM 1125 HB1 TYR 76 47.885 -5.613 -13.381 1.00 37.59 ATOM 1126 HB2 TYR 76 48.491 -7.227 -13.034 1.00 20.24 ATOM 1127 CG TYR 76 49.836 -5.666 -12.549 1.00 42.32 ATOM 1128 CD1 TYR 76 50.140 -4.368 -12.948 1.00 14.34 ATOM 1129 HD1 TYR 76 49.353 -3.740 -13.337 1.00 54.11 ATOM 1130 CD2 TYR 76 50.868 -6.455 -12.051 1.00 54.11 ATOM 1131 HD2 TYR 76 50.653 -7.465 -11.738 1.00 45.14 ATOM 1132 CE1 TYR 76 51.428 -3.873 -12.850 1.00 72.33 ATOM 1133 HE1 TYR 76 51.643 -2.862 -13.165 1.00 11.04 ATOM 1134 CE2 TYR 76 52.157 -5.965 -11.949 1.00 71.35 ATOM 1135 HE2 TYR 76 52.943 -6.594 -11.558 1.00 45.03 ATOM 1136 CZ TYR 76 52.433 -4.676 -12.352 1.00 20.55 ATOM 1137 OH TYR 76 53.720 -4.191 -12.259 1.00 63.55 ATOM 1138 HH TYR 76 53.715 -3.345 -11.804 1.00 12.35 ATOM 1139 C TYR 76 47.364 -4.778 -10.878 1.00 51.51 ATOM 1140 O TYR 76 48.137 -4.207 -10.103 1.00 62.32 ATOM 1141 N VAL 77 46.256 -4.196 -11.349 1.00 20.04 ATOM 1142 HN VAL 77 45.667 -4.708 -11.944 1.00 37.59 ATOM 1143 CA VAL 77 45.897 -2.810 -11.007 1.00 53.30 ATOM 1144 HA VAL 77 46.672 -2.170 -11.405 1.00 52.43 ATOM 1145 CB VAL 77 44.551 -2.395 -11.666 1.00 0.43 ATOM 1146 HB VAL 77 44.631 -2.592 -12.728 1.00 51.12 ATOM 1147 CG1 VAL 77 43.388 -3.228 -11.129 1.00 42.25 ATOM 1148 HG11 VAL 77 42.472 -2.920 -11.614 1.00 50.53 ATOM 1149 HG12 VAL 77 43.297 -3.078 -10.062 1.00 63.44 ATOM 1150 HG13 VAL 77 43.567 -4.275 -11.331 1.00 54.33 ATOM 1151 CG2 VAL 77 44.283 -0.900 -11.484 1.00 25.32 ATOM 1152 HG21 VAL 77 44.196 -0.672 -10.430 1.00 41.03 ATOM 1153 HG22 VAL 77 43.363 -0.633 -11.987 1.00 32.41 ATOM 1154 HG23 VAL 77 45.099 -0.332 -11.908 1.00 5.34 ATOM 1155 C VAL 77 45.825 -2.591 -9.482 1.00 41.53 ATOM 1156 O VAL 77 46.124 -1.504 -8.985 1.00 64.52 ATOM 1157 N ASP 78 45.462 -3.641 -8.747 1.00 62.32 ATOM 1158 HN ASP 78 45.242 -4.485 -9.198 1.00 37.59 ATOM 1159 CA ASP 78 45.378 -3.579 -7.284 1.00 60.23 ATOM 1160 HA ASP 78 44.757 -2.731 -7.026 1.00 63.34 ATOM 1161 CB ASP 78 44.713 -4.858 -6.755 1.00 72.43 ATOM 1162 HB1 ASP 78 45.320 -5.710 -7.033 1.00 37.59 ATOM 1163 HB2 ASP 78 43.737 -4.959 -7.208 1.00 63.54 ATOM 1164 CG ASP 78 44.538 -4.858 -5.243 1.00 44.41 ATOM 1165 OD1 ASP 78 43.724 -4.055 -4.734 1.00 43.33 ATOM 1166 OD2 ASP 78 45.197 -5.670 -4.555 1.00 24.34 ATOM 1167 C ASP 78 46.768 -3.388 -6.642 1.00 33.33 ATOM 1168 O ASP 78 46.904 -2.703 -5.624 1.00 62.41 ATOM 1169 N CYS 79 47.795 -3.976 -7.260 1.00 62.41 ATOM 1170 HN CYS 79 47.631 -4.447 -8.105 1.00 37.59 ATOM 1171 CA CYS 79 49.164 -3.943 -6.715 1.00 42.51 ATOM 1172 HA CYS 79 49.089 -3.844 -5.641 1.00 1.01 ATOM 1173 CB CYS 79 49.890 -5.259 -7.032 1.00 21.50 ATOM 1174 HB1 CYS 79 50.898 -5.208 -6.645 1.00 37.59 ATOM 1175 HB2 CYS 79 49.930 -5.392 -8.103 1.00 11.43 ATOM 1176 SG CYS 79 49.103 -6.730 -6.327 1.00 34.23 ATOM 1177 HG CYS 79 49.770 -7.792 -6.762 1.00 72.15 ATOM 1178 C CYS 79 49.989 -2.760 -7.255 1.00 11.00 ATOM 1179 O CYS 79 51.121 -2.540 -6.818 1.00 54.24 ATOM 1180 N ILE 80 49.432 -2.008 -8.204 1.00 23.52 ATOM 1181 HN ILE 80 48.535 -2.237 -8.526 1.00 37.59 ATOM 1182 CA ILE 80 50.128 -0.846 -8.782 1.00 62.41 ATOM 1183 HA ILE 80 51.075 -1.195 -9.171 1.00 74.23 ATOM 1184 CB ILE 80 49.323 -0.234 -9.960 1.00 32.12 ATOM 1185 HB ILE 80 48.312 -0.057 -9.617 1.00 24.45 ATOM 1186 CG1 ILE 80 49.280 -1.217 -11.143 1.00 31.34 ATOM 1187 HG11 ILE 80 48.795 -2.130 -10.826 1.00 37.59 ATOM 1188 HG12 ILE 80 50.289 -1.443 -11.454 1.00 34.34 ATOM 1189 CG2 ILE 80 49.914 1.112 -10.392 1.00 1.21 ATOM 1190 HG21 ILE 80 49.349 1.505 -11.226 1.00 10.45 ATOM 1191 HG22 ILE 80 50.944 0.979 -10.685 1.00 31.14 ATOM 1192 HG23 ILE 80 49.862 1.809 -9.566 1.00 24.15 ATOM 1193 CD1 ILE 80 48.534 -0.694 -12.354 1.00 10.12 ATOM 1194 HD11 ILE 80 47.517 -0.462 -12.079 1.00 13.00 ATOM 1195 HD12 ILE 80 48.533 -1.448 -13.128 1.00 4.41 ATOM 1196 HD13 ILE 80 49.020 0.198 -12.720 1.00 0.54 ATOM 1197 C ILE 80 50.400 0.246 -7.723 1.00 74.41 ATOM 1198 O ILE 80 49.465 0.853 -7.194 1.00 3.40 ATOM 1199 N PRO 81 51.687 0.519 -7.412 1.00 20.34 ATOM 1200 CA PRO 81 52.065 1.500 -6.375 1.00 74.51 ATOM 1201 HA PRO 81 51.526 1.319 -5.453 1.00 70.15 ATOM 1202 CB PRO 81 53.557 1.213 -6.153 1.00 31.32 ATOM 1203 HB1 PRO 81 53.675 0.495 -5.355 1.00 37.59 ATOM 1204 HB2 PRO 81 54.074 2.129 -5.898 1.00 74.11 ATOM 1205 CG PRO 81 54.033 0.660 -7.455 1.00 20.43 ATOM 1206 HG1 PRO 81 54.878 0.008 -7.290 1.00 37.59 ATOM 1207 HG2 PRO 81 54.308 1.469 -8.119 1.00 73.14 ATOM 1208 CD PRO 81 52.874 -0.118 -8.028 1.00 11.00 ATOM 1209 HD1 PRO 81 52.938 -1.159 -7.747 1.00 37.59 ATOM 1210 HD2 PRO 81 52.846 -0.019 -9.104 1.00 5.45 ATOM 1211 C PRO 81 51.854 2.968 -6.801 1.00 42.40 ATOM 1212 O PRO 81 51.479 3.813 -5.983 1.00 11.25 ATOM 1213 N GLN 82 52.099 3.269 -8.078 1.00 30.12 ATOM 1214 HN GLN 82 52.340 2.550 -8.696 1.00 37.59 ATOM 1215 CA GLN 82 52.008 4.648 -8.586 1.00 41.41 ATOM 1216 HA GLN 82 52.195 5.323 -7.761 1.00 53.32 ATOM 1217 CB GLN 82 53.066 4.888 -9.673 1.00 32.24 ATOM 1218 HB1 GLN 82 53.006 5.920 -9.993 1.00 37.59 ATOM 1219 HB2 GLN 82 52.845 4.250 -10.516 1.00 4.52 ATOM 1220 CG GLN 82 54.499 4.612 -9.232 1.00 62.11 ATOM 1221 HG1 GLN 82 54.591 3.564 -8.980 1.00 37.59 ATOM 1222 HG2 GLN 82 54.716 5.212 -8.361 1.00 70.13 ATOM 1223 CD GLN 82 55.512 4.943 -10.318 1.00 51.21 ATOM 1224 OE1 GLN 82 56.003 6.064 -10.403 1.00 53.33 ATOM 1225 NE2 GLN 82 55.832 3.974 -11.152 1.00 74.42 ATOM 1226 HE21 GLN 82 55.407 3.100 -11.036 1.00 54.41 ATOM 1227 HE22 GLN 82 56.481 4.170 -11.860 1.00 41.22 ATOM 1228 C GLN 82 50.620 4.949 -9.170 1.00 51.43 ATOM 1229 O GLN 82 50.186 4.292 -10.119 1.00 52.12 ATOM 1230 N THR 83 49.935 5.951 -8.620 1.00 4.20 ATOM 1231 HN THR 83 50.306 6.418 -7.837 1.00 37.59 ATOM 1232 CA THR 83 48.625 6.363 -9.146 1.00 40.04 ATOM 1233 HA THR 83 47.994 5.482 -9.174 1.00 42.11 ATOM 1234 CB THR 83 47.936 7.415 -8.240 1.00 32.14 ATOM 1235 HB THR 83 48.567 8.292 -8.189 1.00 53.55 ATOM 1236 OG1 THR 83 47.763 6.890 -6.916 1.00 53.41 ATOM 1237 HG1 THR 83 46.836 6.955 -6.664 1.00 42.32 ATOM 1238 CG2 THR 83 46.576 7.825 -8.803 1.00 31.01 ATOM 1239 HG21 THR 83 46.707 8.261 -9.782 1.00 22.50 ATOM 1240 HG22 THR 83 46.117 8.549 -8.146 1.00 51.00 ATOM 1241 HG23 THR 83 45.938 6.955 -8.879 1.00 72.24 ATOM 1242 C THR 83 48.744 6.924 -10.573 1.00 74.35 ATOM 1243 O THR 83 47.872 6.691 -11.409 1.00 45.34 ATOM 1244 N ARG 84 49.829 7.657 -10.848 1.00 61.44 ATOM 1245 HN ARG 84 50.452 7.872 -10.121 1.00 37.59 ATOM 1246 CA ARG 84 50.098 8.174 -12.205 1.00 35.23 ATOM 1247 HA ARG 84 49.333 8.903 -12.436 1.00 44.50 ATOM 1248 CB ARG 84 51.473 8.860 -12.270 1.00 42.04 ATOM 1249 HB1 ARG 84 51.639 9.211 -13.281 1.00 37.59 ATOM 1250 HB2 ARG 84 52.235 8.134 -12.025 1.00 52.32 ATOM 1251 CG ARG 84 51.624 10.046 -11.324 1.00 12.03 ATOM 1252 HG1 ARG 84 52.603 10.483 -11.465 1.00 37.59 ATOM 1253 HG2 ARG 84 51.534 9.692 -10.308 1.00 64.31 ATOM 1254 CD ARG 84 50.565 11.119 -11.567 1.00 22.42 ATOM 1255 HD1 ARG 84 49.588 10.688 -11.397 1.00 37.59 ATOM 1256 HD2 ARG 84 50.635 11.454 -12.592 1.00 51.32 ATOM 1257 NE ARG 84 50.738 12.268 -10.679 1.00 10.54 ATOM 1258 HE ARG 84 51.541 12.291 -10.122 1.00 40.11 ATOM 1259 CZ ARG 84 49.896 13.262 -10.588 1.00 64.33 ATOM 1260 NH1 ARG 84 48.812 13.280 -11.294 1.00 42.44 ATOM 1261 HH11 ARG 84 48.608 12.526 -11.917 1.00 74.04 ATOM 1262 HH12 ARG 84 48.184 14.056 -11.224 1.00 40.43 ATOM 1263 NH2 ARG 84 50.142 14.239 -9.780 1.00 75.42 ATOM 1264 HH21 ARG 84 50.976 14.232 -9.232 1.00 63.33 ATOM 1265 HH22 ARG 84 49.497 14.997 -9.700 1.00 52.13 ATOM 1266 C ARG 84 50.038 7.050 -13.252 1.00 75.34 ATOM 1267 O ARG 84 49.496 7.228 -14.345 1.00 11.53 ATOM 1268 N ASN 85 50.610 5.896 -12.912 1.00 1.20 ATOM 1269 HN ASN 85 51.093 5.838 -12.063 1.00 37.59 ATOM 1270 CA ASN 85 50.547 4.718 -13.781 1.00 11.01 ATOM 1271 HA ASN 85 50.784 5.035 -14.788 1.00 4.23 ATOM 1272 CB ASN 85 51.560 3.655 -13.341 1.00 71.23 ATOM 1273 HB1 ASN 85 51.491 2.805 -14.007 1.00 37.59 ATOM 1274 HB2 ASN 85 51.323 3.335 -12.337 1.00 71.30 ATOM 1275 CG ASN 85 52.990 4.158 -13.353 1.00 63.53 ATOM 1276 OD1 ASN 85 53.259 5.319 -13.064 1.00 72.24 ATOM 1277 ND2 ASN 85 53.918 3.294 -13.706 1.00 53.23 ATOM 1278 HD21 ASN 85 53.644 2.386 -13.946 1.00 62.14 ATOM 1279 HD22 ASN 85 54.850 3.597 -13.708 1.00 63.12 ATOM 1280 C ASN 85 49.143 4.107 -13.770 1.00 72.10 ATOM 1281 O ASN 85 48.577 3.813 -14.816 1.00 33.31 ATOM 1282 N LYS 86 48.588 3.931 -12.571 1.00 3.44 ATOM 1283 HN LYS 86 49.074 4.238 -11.776 1.00 37.59 ATOM 1284 CA LYS 86 47.279 3.286 -12.396 1.00 0.10 ATOM 1285 HA LYS 86 47.364 2.274 -12.767 1.00 51.02 ATOM 1286 CB LYS 86 46.920 3.234 -10.903 1.00 32.41 ATOM 1287 HB1 LYS 86 46.719 4.238 -10.556 1.00 37.59 ATOM 1288 HB2 LYS 86 47.766 2.842 -10.355 1.00 22.20 ATOM 1289 CG LYS 86 45.703 2.368 -10.587 1.00 44.01 ATOM 1290 HG1 LYS 86 45.886 1.362 -10.943 1.00 37.59 ATOM 1291 HG2 LYS 86 44.841 2.776 -11.095 1.00 62.42 ATOM 1292 CD LYS 86 45.415 2.321 -9.089 1.00 44.45 ATOM 1293 HD1 LYS 86 44.507 1.758 -8.926 1.00 37.59 ATOM 1294 HD2 LYS 86 45.281 3.330 -8.728 1.00 20.15 ATOM 1295 CE LYS 86 46.547 1.669 -8.304 1.00 40.12 ATOM 1296 HE1 LYS 86 47.454 2.237 -8.459 1.00 37.59 ATOM 1297 HE2 LYS 86 46.690 0.661 -8.665 1.00 54.42 ATOM 1298 NZ LYS 86 46.250 1.619 -6.849 1.00 45.32 ATOM 1299 HZ1 LYS 86 47.042 1.187 -6.333 1.00 10.25 ATOM 1300 HZ2 LYS 86 45.392 1.056 -6.677 1.00 33.22 ATOM 1301 HZ3 LYS 86 46.096 2.578 -6.483 1.00 53.53 ATOM 1302 C LYS 86 46.167 4.006 -13.187 1.00 11.13 ATOM 1303 O LYS 86 45.281 3.364 -13.751 1.00 60.14 ATOM 1304 N PHE 87 46.231 5.337 -13.230 1.00 34.55 ATOM 1305 HN PHE 87 46.958 5.791 -12.753 1.00 37.59 ATOM 1306 CA PHE 87 45.243 6.146 -13.959 1.00 14.43 ATOM 1307 HA PHE 87 44.263 5.909 -13.569 1.00 60.44 ATOM 1308 CB PHE 87 45.527 7.639 -13.726 1.00 51.55 ATOM 1309 HB1 PHE 87 46.462 7.894 -14.204 1.00 37.59 ATOM 1310 HB2 PHE 87 45.616 7.818 -12.664 1.00 30.45 ATOM 1311 CG PHE 87 44.463 8.566 -14.264 1.00 51.43 ATOM 1312 CD1 PHE 87 44.628 9.208 -15.484 1.00 12.41 ATOM 1313 HD1 PHE 87 45.527 9.035 -16.057 1.00 52.32 ATOM 1314 CD2 PHE 87 43.300 8.800 -13.543 1.00 60.12 ATOM 1315 HD2 PHE 87 43.159 8.307 -12.590 1.00 52.32 ATOM 1316 CE1 PHE 87 43.658 10.063 -15.971 1.00 5.22 ATOM 1317 HE1 PHE 87 43.800 10.556 -16.922 1.00 61.23 ATOM 1318 CE2 PHE 87 42.327 9.653 -14.028 1.00 63.45 ATOM 1319 HE2 PHE 87 41.426 9.825 -13.456 1.00 63.01 ATOM 1320 CZ PHE 87 42.506 10.284 -15.243 1.00 13.14 ATOM 1321 HZ PHE 87 41.746 10.953 -15.623 1.00 1.15 ATOM 1322 C PHE 87 45.270 5.829 -15.465 1.00 52.13 ATOM 1323 O PHE 87 44.244 5.484 -16.060 1.00 41.42 ATOM 1324 N ALA 88 46.453 5.940 -16.070 1.00 11.40 ATOM 1325 HN ALA 88 47.227 6.236 -15.546 1.00 37.59 ATOM 1326 CA ALA 88 46.634 5.630 -17.493 1.00 44.33 ATOM 1327 HA ALA 88 45.925 6.223 -18.056 1.00 23.25 ATOM 1328 CB ALA 88 48.039 6.016 -17.945 1.00 4.33 ATOM 1329 HB1 ALA 88 48.765 5.416 -17.417 1.00 62.14 ATOM 1330 HB2 ALA 88 48.214 7.062 -17.731 1.00 12.32 ATOM 1331 HB3 ALA 88 48.136 5.847 -19.009 1.00 24.33 ATOM 1332 C ALA 88 46.374 4.143 -17.778 1.00 75.03 ATOM 1333 O ALA 88 45.795 3.786 -18.801 1.00 61.34 ATOM 1334 N PHE 89 46.807 3.286 -16.856 1.00 31.45 ATOM 1335 HN PHE 89 47.294 3.637 -16.083 1.00 37.59 ATOM 1336 CA PHE 89 46.593 1.840 -16.960 1.00 5.52 ATOM 1337 HA PHE 89 47.068 1.497 -17.868 1.00 22.04 ATOM 1338 CB PHE 89 47.240 1.135 -15.756 1.00 1.41 ATOM 1339 HB1 PHE 89 46.722 1.432 -14.854 1.00 37.59 ATOM 1340 HB2 PHE 89 48.272 1.448 -15.682 1.00 0.12 ATOM 1341 CG PHE 89 47.220 -0.373 -15.827 1.00 73.04 ATOM 1342 CD1 PHE 89 46.217 -1.104 -15.201 1.00 24.43 ATOM 1343 HD1 PHE 89 45.436 -0.584 -14.665 1.00 14.11 ATOM 1344 CD2 PHE 89 48.214 -1.060 -16.513 1.00 20.10 ATOM 1345 HD2 PHE 89 49.001 -0.504 -17.005 1.00 0.43 ATOM 1346 CE1 PHE 89 46.209 -2.485 -15.258 1.00 24.34 ATOM 1347 HE1 PHE 89 45.424 -3.042 -14.767 1.00 71.21 ATOM 1348 CE2 PHE 89 48.207 -2.439 -16.572 1.00 15.34 ATOM 1349 HE2 PHE 89 48.986 -2.962 -17.111 1.00 61.34 ATOM 1350 CZ PHE 89 47.204 -3.152 -15.945 1.00 61.14 ATOM 1351 HZ PHE 89 47.199 -4.231 -15.990 1.00 14.41 ATOM 1352 C PHE 89 45.094 1.511 -17.023 1.00 74.13 ATOM 1353 O PHE 89 44.635 0.809 -17.922 1.00 14.12 ATOM 1354 N ARG 90 44.339 2.040 -16.067 1.00 65.15 ATOM 1355 HN ARG 90 44.764 2.595 -15.380 1.00 37.59 ATOM 1356 CA ARG 90 42.891 1.822 -16.007 1.00 11.13 ATOM 1357 HA ARG 90 42.727 0.757 -15.926 1.00 24.21 ATOM 1358 CB ARG 90 42.301 2.512 -14.761 1.00 74.34 ATOM 1359 HB1 ARG 90 41.488 3.156 -15.067 1.00 37.59 ATOM 1360 HB2 ARG 90 43.070 3.122 -14.307 1.00 50.05 ATOM 1361 CG ARG 90 41.771 1.548 -13.695 1.00 35.24 ATOM 1362 HG1 ARG 90 41.717 2.073 -12.750 1.00 37.59 ATOM 1363 HG2 ARG 90 42.456 0.717 -13.601 1.00 40.50 ATOM 1364 CD ARG 90 40.380 1.003 -14.037 1.00 43.52 ATOM 1365 HD1 ARG 90 39.708 1.840 -14.176 1.00 37.59 ATOM 1366 HD2 ARG 90 40.032 0.406 -13.207 1.00 73.42 ATOM 1367 NE ARG 90 40.365 0.174 -15.245 1.00 52.42 ATOM 1368 HE ARG 90 41.200 -0.249 -15.511 1.00 45.41 ATOM 1369 CZ ARG 90 39.296 -0.052 -15.971 1.00 20.35 ATOM 1370 NH1 ARG 90 38.155 0.480 -15.656 1.00 23.10 ATOM 1371 HH11 ARG 90 38.082 1.067 -14.853 1.00 23.01 ATOM 1372 HH12 ARG 90 37.349 0.302 -16.221 1.00 44.43 ATOM 1373 NH2 ARG 90 39.370 -0.822 -17.007 1.00 54.02 ATOM 1374 HH21 ARG 90 40.236 -1.239 -17.252 1.00 74.34 ATOM 1375 HH22 ARG 90 38.554 -1.004 -17.558 1.00 11.21 ATOM 1376 C ARG 90 42.190 2.323 -17.279 1.00 73.33 ATOM 1377 O ARG 90 41.402 1.594 -17.886 1.00 43.12 ATOM 1378 N GLU 91 42.486 3.558 -17.688 1.00 43.22 ATOM 1379 HN GLU 91 43.153 4.082 -17.189 1.00 37.59 ATOM 1380 CA GLU 91 41.835 4.147 -18.864 1.00 64.21 ATOM 1381 HA GLU 91 40.766 4.058 -18.709 1.00 43.44 ATOM 1382 CB GLU 91 42.182 5.646 -18.994 1.00 23.25 ATOM 1383 HB1 GLU 91 42.154 6.088 -18.006 1.00 37.59 ATOM 1384 HB2 GLU 91 41.424 6.120 -19.601 1.00 22.55 ATOM 1385 CG GLU 91 43.550 5.956 -19.611 1.00 52.33 ATOM 1386 HG1 GLU 91 44.111 5.037 -19.699 1.00 37.59 ATOM 1387 HG2 GLU 91 44.082 6.634 -18.957 1.00 3.15 ATOM 1388 CD GLU 91 43.444 6.598 -20.991 1.00 63.10 ATOM 1389 OE1 GLU 91 43.552 5.876 -22.005 1.00 4.50 ATOM 1390 OE2 GLU 91 43.235 7.832 -21.062 1.00 23.02 ATOM 1391 C GLU 91 42.194 3.375 -20.150 1.00 51.14 ATOM 1392 O GLU 91 41.325 3.103 -20.976 1.00 40.01 ATOM 1393 N ALA 92 43.465 2.993 -20.297 1.00 40.13 ATOM 1394 HN ALA 92 44.122 3.257 -19.619 1.00 37.59 ATOM 1395 CA ALA 92 43.912 2.201 -21.453 1.00 22.50 ATOM 1396 HA ALA 92 43.678 2.760 -22.350 1.00 73.44 ATOM 1397 CB ALA 92 45.424 2.000 -21.402 1.00 22.12 ATOM 1398 HB1 ALA 92 45.682 1.412 -20.533 1.00 70.15 ATOM 1399 HB2 ALA 92 45.916 2.962 -21.342 1.00 73.11 ATOM 1400 HB3 ALA 92 45.752 1.486 -22.294 1.00 1.34 ATOM 1401 C ALA 92 43.188 0.844 -21.511 1.00 70.43 ATOM 1402 O ALA 92 42.737 0.409 -22.574 1.00 73.22 ATOM 1403 N VAL 93 43.074 0.185 -20.356 1.00 1.21 ATOM 1404 HN VAL 93 43.514 0.547 -19.556 1.00 37.59 ATOM 1405 CA VAL 93 42.316 -1.067 -20.248 1.00 42.14 ATOM 1406 HA VAL 93 42.745 -1.773 -20.950 1.00 54.43 ATOM 1407 CB VAL 93 42.426 -1.674 -18.822 1.00 11.24 ATOM 1408 HB VAL 93 42.110 -0.924 -18.109 1.00 21.52 ATOM 1409 CG1 VAL 93 41.517 -2.892 -18.665 1.00 4.32 ATOM 1410 HG11 VAL 93 41.613 -3.286 -17.663 1.00 35.13 ATOM 1411 HG12 VAL 93 41.801 -3.652 -19.378 1.00 22.15 ATOM 1412 HG13 VAL 93 40.491 -2.602 -18.838 1.00 43.35 ATOM 1413 CG2 VAL 93 43.875 -2.046 -18.511 1.00 25.33 ATOM 1414 HG21 VAL 93 44.216 -2.793 -19.215 1.00 73.11 ATOM 1415 HG22 VAL 93 43.941 -2.441 -17.508 1.00 64.22 ATOM 1416 HG23 VAL 93 44.500 -1.168 -18.592 1.00 75.11 ATOM 1417 C VAL 93 40.839 -0.850 -20.613 1.00 31.12 ATOM 1418 O VAL 93 40.210 -1.712 -21.231 1.00 64.31 ATOM 1419 N SER 94 40.294 0.313 -20.242 1.00 62.14 ATOM 1420 HN SER 94 40.828 0.943 -19.710 1.00 37.59 ATOM 1421 CA SER 94 38.912 0.670 -20.600 1.00 71.42 ATOM 1422 HA SER 94 38.259 -0.060 -20.143 1.00 1.32 ATOM 1423 CB SER 94 38.548 2.063 -20.064 1.00 51.31 ATOM 1424 HB1 SER 94 37.541 2.314 -20.370 1.00 37.59 ATOM 1425 HB2 SER 94 39.237 2.792 -20.464 1.00 43.23 ATOM 1426 OG SER 94 38.616 2.105 -18.646 1.00 44.00 ATOM 1427 HG SER 94 37.944 1.518 -18.275 1.00 15.11 ATOM 1428 C SER 94 38.707 0.623 -22.121 1.00 43.45 ATOM 1429 O SER 94 37.682 0.147 -22.605 1.00 64.33 ATOM 1430 N LYS 95 39.693 1.111 -22.875 1.00 54.45 ATOM 1431 HN LYS 95 40.462 1.537 -22.437 1.00 37.59 ATOM 1432 CA LYS 95 39.657 1.015 -24.342 1.00 61.13 ATOM 1433 HA LYS 95 38.736 1.469 -24.679 1.00 31.00 ATOM 1434 CB LYS 95 40.845 1.758 -24.982 1.00 15.41 ATOM 1435 HB1 LYS 95 40.971 1.398 -25.995 1.00 37.59 ATOM 1436 HB2 LYS 95 41.740 1.528 -24.422 1.00 4.32 ATOM 1437 CG LYS 95 40.699 3.280 -25.039 1.00 24.32 ATOM 1438 HG1 LYS 95 39.805 3.522 -25.598 1.00 37.59 ATOM 1439 HG2 LYS 95 41.559 3.693 -25.546 1.00 0.31 ATOM 1440 CD LYS 95 40.600 3.907 -23.654 1.00 21.51 ATOM 1441 HD1 LYS 95 41.442 3.579 -23.060 1.00 37.59 ATOM 1442 HD2 LYS 95 39.682 3.582 -23.185 1.00 41.51 ATOM 1443 CE LYS 95 40.607 5.429 -23.717 1.00 34.15 ATOM 1444 HE1 LYS 95 40.437 5.818 -22.723 1.00 37.59 ATOM 1445 HE2 LYS 95 39.809 5.755 -24.370 1.00 52.50 ATOM 1446 NZ LYS 95 41.897 5.963 -24.231 1.00 13.11 ATOM 1447 HZ1 LYS 95 42.673 5.709 -23.583 1.00 53.02 ATOM 1448 HZ2 LYS 95 41.851 7.000 -24.303 1.00 52.14 ATOM 1449 HZ3 LYS 95 42.104 5.568 -25.172 1.00 11.11 ATOM 1450 C LYS 95 39.672 -0.451 -24.792 1.00 62.22 ATOM 1451 O LYS 95 38.898 -0.852 -25.661 1.00 3.00 ATOM 1452 N LEU 96 40.553 -1.245 -24.183 1.00 31.22 ATOM 1453 HN LEU 96 41.130 -0.862 -23.487 1.00 37.59 ATOM 1454 CA LEU 96 40.695 -2.664 -24.524 1.00 3.11 ATOM 1455 HA LEU 96 41.000 -2.723 -25.560 1.00 51.14 ATOM 1456 CB LEU 96 41.788 -3.298 -23.649 1.00 54.42 ATOM 1457 HB1 LEU 96 41.474 -3.227 -22.617 1.00 37.59 ATOM 1458 HB2 LEU 96 42.692 -2.716 -23.768 1.00 11.14 ATOM 1459 CG LEU 96 42.119 -4.773 -23.948 1.00 40.20 ATOM 1460 HG LEU 96 41.211 -5.358 -23.878 1.00 34.43 ATOM 1461 CD1 LEU 96 42.667 -4.934 -25.364 1.00 5.15 ATOM 1462 HD11 LEU 96 42.930 -5.969 -25.534 1.00 74.34 ATOM 1463 HD12 LEU 96 43.545 -4.316 -25.487 1.00 33.23 ATOM 1464 HD13 LEU 96 41.914 -4.636 -26.078 1.00 30.12 ATOM 1465 CD2 LEU 96 43.110 -5.322 -22.921 1.00 43.43 ATOM 1466 HD21 LEU 96 43.323 -6.358 -23.143 1.00 31.30 ATOM 1467 HD22 LEU 96 42.682 -5.250 -21.931 1.00 35.14 ATOM 1468 HD23 LEU 96 44.027 -4.749 -22.958 1.00 65.42 ATOM 1469 C LEU 96 39.367 -3.429 -24.355 1.00 71.24 ATOM 1470 O LEU 96 38.910 -4.104 -25.277 1.00 61.25 ATOM 1471 N GLU 97 38.737 -3.300 -23.183 1.00 40.22 ATOM 1472 HN GLU 97 39.129 -2.726 -22.491 1.00 37.59 ATOM 1473 CA GLU 97 37.472 -4.003 -22.906 1.00 60.32 ATOM 1474 HA GLU 97 37.639 -5.053 -23.109 1.00 14.50 ATOM 1475 CB GLU 97 37.075 -3.853 -21.426 1.00 43.41 ATOM 1476 HB1 GLU 97 37.838 -4.313 -20.815 1.00 37.59 ATOM 1477 HB2 GLU 97 36.142 -4.373 -21.264 1.00 2.12 ATOM 1478 CG GLU 97 36.901 -2.409 -20.964 1.00 11.10 ATOM 1479 HG1 GLU 97 36.120 -1.948 -21.551 1.00 37.59 ATOM 1480 HG2 GLU 97 37.830 -1.881 -21.131 1.00 41.22 ATOM 1481 CD GLU 97 36.534 -2.294 -19.489 1.00 0.45 ATOM 1482 OE1 GLU 97 35.385 -2.628 -19.128 1.00 70.22 ATOM 1483 OE2 GLU 97 37.385 -1.854 -18.683 1.00 1.15 ATOM 1484 C GLU 97 36.330 -3.516 -23.819 1.00 13.24 ATOM 1485 O GLU 97 35.557 -4.322 -24.343 1.00 40.25 ATOM 1486 N LEU 98 36.233 -2.198 -24.014 1.00 10.43 ATOM 1487 HN LEU 98 36.865 -1.603 -23.556 1.00 37.59 ATOM 1488 CA LEU 98 35.206 -1.616 -24.889 1.00 21.21 ATOM 1489 HA LEU 98 34.244 -1.967 -24.540 1.00 24.21 ATOM 1490 CB LEU 98 35.229 -0.082 -24.809 1.00 14.40 ATOM 1491 HB1 LEU 98 34.586 0.310 -25.586 1.00 37.59 ATOM 1492 HB2 LEU 98 36.241 0.250 -25.004 1.00 65.12 ATOM 1493 CG LEU 98 34.775 0.513 -23.466 1.00 32.21 ATOM 1494 HG LEU 98 35.401 0.117 -22.677 1.00 1.45 ATOM 1495 CD1 LEU 98 34.931 2.030 -23.468 1.00 54.22 ATOM 1496 HD11 LEU 98 34.323 2.457 -24.252 1.00 22.13 ATOM 1497 HD12 LEU 98 35.967 2.285 -23.636 1.00 22.45 ATOM 1498 HD13 LEU 98 34.616 2.426 -22.513 1.00 53.04 ATOM 1499 CD2 LEU 98 33.330 0.119 -23.161 1.00 43.13 ATOM 1500 HD21 LEU 98 32.681 0.477 -23.948 1.00 63.52 ATOM 1501 HD22 LEU 98 33.028 0.556 -22.220 1.00 54.14 ATOM 1502 HD23 LEU 98 33.255 -0.958 -23.095 1.00 23.02 ATOM 1503 C LEU 98 35.384 -2.065 -26.346 1.00 63.44 ATOM 1504 O LEU 98 34.408 -2.352 -27.043 1.00 1.23 ATOM 1505 N SER 99 36.630 -2.124 -26.800 1.00 14.43 ATOM 1506 HN SER 99 37.368 -1.879 -26.200 1.00 37.59 ATOM 1507 CA SER 99 36.931 -2.538 -28.173 1.00 53.44 ATOM 1508 HA SER 99 36.271 -1.989 -28.832 1.00 31.23 ATOM 1509 CB SER 99 38.380 -2.188 -28.527 1.00 11.44 ATOM 1510 HB1 SER 99 39.050 -2.763 -27.902 1.00 37.59 ATOM 1511 HB2 SER 99 38.546 -1.134 -28.354 1.00 65.44 ATOM 1512 OG SER 99 38.664 -2.471 -29.885 1.00 52.42 ATOM 1513 HG SER 99 38.343 -1.749 -30.436 1.00 33.32 ATOM 1514 C SER 99 36.677 -4.042 -28.373 1.00 50.21 ATOM 1515 O SER 99 36.146 -4.462 -29.402 1.00 62.13 ATOM 1516 N LEU 100 37.039 -4.848 -27.376 1.00 50.11 ATOM 1517 HN LEU 100 37.483 -4.461 -26.591 1.00 37.59 ATOM 1518 CA LEU 100 36.803 -6.299 -27.420 1.00 75.32 ATOM 1519 HA LEU 100 37.273 -6.677 -28.317 1.00 53.44 ATOM 1520 CB LEU 100 37.446 -6.987 -26.203 1.00 52.34 ATOM 1521 HB1 LEU 100 37.062 -7.996 -26.139 1.00 37.59 ATOM 1522 HB2 LEU 100 37.143 -6.450 -25.314 1.00 73.42 ATOM 1523 CG LEU 100 38.983 -7.062 -26.221 1.00 22.41 ATOM 1524 HG LEU 100 39.385 -6.069 -26.372 1.00 54.44 ATOM 1525 CD1 LEU 100 39.518 -7.587 -24.890 1.00 35.04 ATOM 1526 HD11 LEU 100 39.207 -6.930 -24.091 1.00 4.23 ATOM 1527 HD12 LEU 100 40.598 -7.623 -24.922 1.00 13.24 ATOM 1528 HD13 LEU 100 39.131 -8.580 -24.709 1.00 53.54 ATOM 1529 CD2 LEU 100 39.461 -7.945 -27.371 1.00 34.11 ATOM 1530 HD21 LEU 100 39.123 -7.530 -28.309 1.00 2.45 ATOM 1531 HD22 LEU 100 39.059 -8.941 -27.251 1.00 35.43 ATOM 1532 HD23 LEU 100 40.541 -7.991 -27.367 1.00 42.15 ATOM 1533 C LEU 100 35.301 -6.642 -27.476 1.00 52.33 ATOM 1534 O LEU 100 34.888 -7.543 -28.211 1.00 51.24 ATOM 1535 N GLN 101 34.486 -5.930 -26.693 1.00 41.03 ATOM 1536 HN GLN 101 34.862 -5.216 -26.131 1.00 37.59 ATOM 1537 CA GLN 101 33.041 -6.204 -26.645 1.00 13.35 ATOM 1538 HA GLN 101 32.927 -7.275 -26.544 1.00 41.11 ATOM 1539 CB GLN 101 32.386 -5.537 -25.423 1.00 64.13 ATOM 1540 HB1 GLN 101 32.896 -5.878 -24.532 1.00 37.59 ATOM 1541 HB2 GLN 101 31.352 -5.849 -25.370 1.00 42.43 ATOM 1542 CG GLN 101 32.420 -4.013 -25.436 1.00 5.30 ATOM 1543 HG1 GLN 101 31.972 -3.658 -26.355 1.00 37.59 ATOM 1544 HG2 GLN 101 33.449 -3.687 -25.392 1.00 21.20 ATOM 1545 CD GLN 101 31.670 -3.403 -24.263 1.00 65.41 ATOM 1546 OE1 GLN 101 32.235 -3.155 -23.202 1.00 50.30 ATOM 1547 NE2 GLN 101 30.387 -3.162 -24.443 1.00 53.53 ATOM 1548 HE21 GLN 101 29.993 -3.382 -25.314 1.00 42.40 ATOM 1549 HE22 GLN 101 29.882 -2.774 -23.701 1.00 24.35 ATOM 1550 C GLN 101 32.326 -5.775 -27.939 1.00 20.51 ATOM 1551 O GLN 101 31.377 -6.429 -28.371 1.00 61.24 ATOM 1552 N GLU 102 32.777 -4.682 -28.561 1.00 13.33 ATOM 1553 HN GLU 102 33.500 -4.158 -28.154 1.00 37.59 ATOM 1554 CA GLU 102 32.195 -4.247 -29.839 1.00 32.30 ATOM 1555 HA GLU 102 31.126 -4.397 -29.772 1.00 61.11 ATOM 1556 CB GLU 102 32.460 -2.756 -30.102 1.00 0.21 ATOM 1557 HB1 GLU 102 32.032 -2.181 -29.292 1.00 37.59 ATOM 1558 HB2 GLU 102 31.966 -2.476 -31.023 1.00 31.33 ATOM 1559 CG GLU 102 33.936 -2.386 -30.221 1.00 72.24 ATOM 1560 HG1 GLU 102 34.398 -3.030 -30.957 1.00 37.59 ATOM 1561 HG2 GLU 102 34.413 -2.543 -29.265 1.00 22.32 ATOM 1562 CD GLU 102 34.149 -0.938 -30.634 1.00 20.25 ATOM 1563 OE1 GLU 102 33.789 -0.029 -29.857 1.00 54.50 ATOM 1564 OE2 GLU 102 34.676 -0.698 -31.740 1.00 10.31 ATOM 1565 C GLU 102 32.723 -5.090 -31.011 1.00 11.24 ATOM 1566 O GLU 102 31.994 -5.368 -31.959 1.00 50.33 ATOM 1567 N LEU 103 33.987 -5.503 -30.940 1.00 12.05 ATOM 1568 HN LEU 103 34.537 -5.226 -30.176 1.00 37.59 ATOM 1569 CA LEU 103 34.586 -6.345 -31.984 1.00 44.53 ATOM 1570 HA LEU 103 34.566 -5.786 -32.910 1.00 43.22 ATOM 1571 CB LEU 103 36.047 -6.672 -31.631 1.00 13.55 ATOM 1572 HB1 LEU 103 36.057 -7.185 -30.680 1.00 37.59 ATOM 1573 HB2 LEU 103 36.583 -5.739 -31.521 1.00 34.44 ATOM 1574 CG LEU 103 36.799 -7.544 -32.655 1.00 20.42 ATOM 1575 HG LEU 103 36.263 -8.474 -32.787 1.00 61.32 ATOM 1576 CD1 LEU 103 36.869 -6.850 -34.013 1.00 54.23 ATOM 1577 HD11 LEU 103 37.368 -5.897 -33.907 1.00 2.00 ATOM 1578 HD12 LEU 103 35.868 -6.692 -34.389 1.00 22.54 ATOM 1579 HD13 LEU 103 37.419 -7.469 -34.707 1.00 63.23 ATOM 1580 CD2 LEU 103 38.201 -7.878 -32.154 1.00 43.22 ATOM 1581 HD21 LEU 103 38.694 -8.520 -32.870 1.00 65.34 ATOM 1582 HD22 LEU 103 38.134 -8.385 -31.204 1.00 11.23 ATOM 1583 HD23 LEU 103 38.771 -6.966 -32.038 1.00 75.04 ATOM 1584 C LEU 103 33.793 -7.647 -32.175 1.00 31.33 ATOM 1585 O LEU 103 33.351 -7.966 -33.278 1.00 61.15 ATOM 1586 N GLN 104 33.592 -8.380 -31.085 1.00 22.23 ATOM 1587 HN GLN 104 33.910 -8.038 -30.220 1.00 37.59 ATOM 1588 CA GLN 104 32.911 -9.683 -31.132 1.00 64.24 ATOM 1589 HA GLN 104 33.498 -10.329 -31.770 1.00 43.23 ATOM 1590 CB GLN 104 32.869 -10.297 -29.725 1.00 33.32 ATOM 1591 HB1 GLN 104 33.882 -10.462 -29.387 1.00 37.59 ATOM 1592 HB2 GLN 104 32.358 -11.249 -29.776 1.00 25.14 ATOM 1593 CG GLN 104 32.157 -9.425 -28.698 1.00 20.51 ATOM 1594 HG1 GLN 104 31.114 -9.343 -28.976 1.00 37.59 ATOM 1595 HG2 GLN 104 32.604 -8.441 -28.705 1.00 53.12 ATOM 1596 CD GLN 104 32.242 -9.982 -27.288 1.00 23.10 ATOM 1597 OE1 GLN 104 31.390 -10.747 -26.855 1.00 50.44 ATOM 1598 NE2 GLN 104 33.276 -9.604 -26.562 1.00 33.25 ATOM 1599 HE21 GLN 104 33.927 -8.994 -26.965 1.00 54.30 ATOM 1600 HE22 GLN 104 33.342 -9.946 -25.649 1.00 21.41 ATOM 1601 C GLN 104 31.481 -9.596 -31.711 1.00 13.42 ATOM 1602 O GLN 104 30.944 -10.592 -32.196 1.00 44.33 ATOM 1603 N VAL 105 30.864 -8.413 -31.655 1.00 11.00 ATOM 1604 HN VAL 105 31.333 -7.648 -31.263 1.00 37.59 ATOM 1605 CA VAL 105 29.488 -8.240 -32.155 1.00 70.42 ATOM 1606 HA VAL 105 29.082 -9.226 -32.348 1.00 42.10 ATOM 1607 CB VAL 105 28.583 -7.559 -31.094 1.00 12.11 ATOM 1608 HB VAL 105 27.580 -7.499 -31.496 1.00 21.24 ATOM 1609 CG1 VAL 105 28.524 -8.394 -29.816 1.00 52.41 ATOM 1610 HG11 VAL 105 28.125 -9.373 -30.044 1.00 2.11 ATOM 1611 HG12 VAL 105 27.884 -7.905 -29.094 1.00 13.43 ATOM 1612 HG13 VAL 105 29.518 -8.497 -29.403 1.00 14.45 ATOM 1613 CG2 VAL 105 29.059 -6.137 -30.795 1.00 64.53 ATOM 1614 HG21 VAL 105 30.076 -6.165 -30.428 1.00 24.33 ATOM 1615 HG22 VAL 105 28.420 -5.692 -30.046 1.00 52.41 ATOM 1616 HG23 VAL 105 29.020 -5.545 -31.698 1.00 43.55 ATOM 1617 C VAL 105 29.427 -7.428 -33.466 1.00 4.25 ATOM 1618 O VAL 105 28.458 -7.531 -34.220 1.00 75.12 ATOM 1619 N SER 106 30.459 -6.631 -33.743 1.00 30.41 ATOM 1620 HN SER 106 31.232 -6.625 -33.141 1.00 37.59 ATOM 1621 CA SER 106 30.457 -5.739 -34.921 1.00 14.33 ATOM 1622 HA SER 106 29.524 -5.887 -35.446 1.00 75.23 ATOM 1623 CB SER 106 30.536 -4.268 -34.476 1.00 51.51 ATOM 1624 HB1 SER 106 30.512 -3.630 -35.349 1.00 37.59 ATOM 1625 HB2 SER 106 31.460 -4.105 -33.942 1.00 0.24 ATOM 1626 OG SER 106 29.454 -3.913 -33.625 1.00 55.21 ATOM 1627 HG SER 106 28.634 -4.297 -33.965 1.00 73.13 ATOM 1628 C SER 106 31.610 -6.034 -35.895 1.00 65.43 ATOM 1629 O SER 106 31.840 -5.266 -36.828 1.00 52.35 ATOM 1630 N SER 107 32.330 -7.137 -35.692 1.00 51.40 ATOM 1631 HN SER 107 32.124 -7.707 -34.922 1.00 37.59 ATOM 1632 CA SER 107 33.445 -7.505 -36.589 1.00 50.02 ATOM 1633 HA SER 107 34.084 -6.640 -36.692 1.00 11.24 ATOM 1634 CB SER 107 34.273 -8.657 -35.999 1.00 74.21 ATOM 1635 HB1 SER 107 33.657 -9.542 -35.931 1.00 37.59 ATOM 1636 HB2 SER 107 34.618 -8.384 -35.012 1.00 1.22 ATOM 1637 OG SER 107 35.403 -8.947 -36.811 1.00 23.40 ATOM 1638 HG SER 107 35.268 -9.789 -37.269 1.00 20.50 ATOM 1639 C SER 107 32.951 -7.907 -37.984 1.00 64.40 ATOM 1640 O SER 107 33.544 -7.516 -38.989 1.00 63.14 ATOM 1641 N ALA 108 31.860 -8.681 -38.032 1.00 41.15 ATOM 1642 HN ALA 108 31.394 -8.884 -37.197 1.00 37.59 ATOM 1643 CA ALA 108 31.328 -9.235 -39.291 1.00 73.25 ATOM 1644 HA ALA 108 30.396 -9.731 -39.053 1.00 54.54 ATOM 1645 CB ALA 108 31.022 -8.123 -40.294 1.00 50.11 ATOM 1646 HB1 ALA 108 31.939 -7.628 -40.577 1.00 44.23 ATOM 1647 HB2 ALA 108 30.351 -7.407 -39.843 1.00 15.12 ATOM 1648 HB3 ALA 108 30.557 -8.546 -41.173 1.00 31.41 ATOM 1649 C ALA 108 32.290 -10.273 -39.895 1.00 62.34 ATOM 1650 O ALA 108 31.957 -11.454 -40.012 1.00 4.24 ATOM 1651 N ALA 109 33.481 -9.819 -40.276 1.00 72.13 ATOM 1652 HN ALA 109 33.651 -8.858 -40.240 1.00 37.59 ATOM 1653 CA ALA 109 34.542 -10.704 -40.756 1.00 51.25 ATOM 1654 HA ALA 109 34.167 -11.244 -41.616 1.00 15.51 ATOM 1655 CB ALA 109 35.735 -9.869 -41.204 1.00 31.13 ATOM 1656 HB1 ALA 109 36.106 -9.293 -40.367 1.00 12.00 ATOM 1657 HB2 ALA 109 35.429 -9.199 -41.994 1.00 74.21 ATOM 1658 HB3 ALA 109 36.518 -10.521 -41.570 1.00 42.33 ATOM 1659 C ALA 109 34.973 -11.709 -39.673 1.00 0.43 ATOM 1660 O ALA 109 35.291 -11.322 -38.544 1.00 23.12 ATOM 1661 N ALA 110 34.985 -12.993 -40.025 1.00 73.55 ATOM 1662 HN ALA 110 34.710 -13.235 -40.934 1.00 37.59 ATOM 1663 CA ALA 110 35.375 -14.059 -39.093 1.00 40.11 ATOM 1664 HA ALA 110 34.771 -13.953 -38.201 1.00 74.34 ATOM 1665 CB ALA 110 35.071 -15.423 -39.703 1.00 23.11 ATOM 1666 HB1 ALA 110 34.021 -15.481 -39.953 1.00 33.23 ATOM 1667 HB2 ALA 110 35.314 -16.200 -38.992 1.00 10.15 ATOM 1668 HB3 ALA 110 35.661 -15.558 -40.598 1.00 14.44 ATOM 1669 C ALA 110 36.859 -13.969 -38.693 1.00 74.24 ATOM 1670 O ALA 110 37.214 -14.223 -37.542 1.00 34.05 ATOM 1671 N GLY 111 37.724 -13.620 -39.644 1.00 21.22 ATOM 1672 HN GLY 111 37.399 -13.460 -40.554 1.00 37.59 ATOM 1673 CA GLY 111 39.147 -13.485 -39.339 1.00 34.15 ATOM 1674 HA1 GLY 111 39.532 -14.455 -39.056 1.00 37.59 ATOM 1675 HA2 GLY 111 39.258 -12.813 -38.501 1.00 34.33 ATOM 1676 C GLY 111 39.981 -12.949 -40.500 1.00 72.44 ATOM 1677 O GLY 111 40.913 -13.611 -40.963 1.00 13.23 ATOM 1678 N VAL 112 39.657 -11.748 -40.970 1.00 2.04 ATOM 1679 HN VAL 112 38.892 -11.276 -40.583 1.00 37.59 ATOM 1680 CA VAL 112 40.419 -11.109 -42.051 1.00 43.22 ATOM 1681 HA VAL 112 40.913 -11.889 -42.616 1.00 44.33 ATOM 1682 CB VAL 112 39.481 -10.333 -43.016 1.00 52.15 ATOM 1683 HB VAL 112 39.001 -9.543 -42.455 1.00 1.13 ATOM 1684 CG1 VAL 112 40.271 -9.688 -44.154 1.00 51.21 ATOM 1685 HG11 VAL 112 40.989 -8.990 -43.746 1.00 71.23 ATOM 1686 HG12 VAL 112 39.593 -9.162 -44.811 1.00 63.21 ATOM 1687 HG13 VAL 112 40.791 -10.453 -44.713 1.00 71.11 ATOM 1688 CG2 VAL 112 38.388 -11.252 -43.566 1.00 73.23 ATOM 1689 HG21 VAL 112 38.839 -12.052 -44.135 1.00 52.12 ATOM 1690 HG22 VAL 112 37.727 -10.685 -44.206 1.00 41.33 ATOM 1691 HG23 VAL 112 37.821 -11.670 -42.745 1.00 3.04 ATOM 1692 C VAL 112 41.489 -10.150 -41.483 1.00 44.41 ATOM 1693 O VAL 112 41.176 -9.260 -40.686 1.00 63.42 ATOM 1694 N PRO 113 42.766 -10.314 -41.884 1.00 41.34 ATOM 1695 CA PRO 113 43.878 -9.494 -41.356 1.00 1.11 ATOM 1696 HA PRO 113 43.967 -9.604 -40.284 1.00 3.21 ATOM 1697 CB PRO 113 45.119 -10.099 -42.035 1.00 41.02 ATOM 1698 HB1 PRO 113 45.584 -10.812 -41.368 1.00 37.59 ATOM 1699 HB2 PRO 113 45.826 -9.317 -42.281 1.00 21.55 ATOM 1700 CG PRO 113 44.592 -10.768 -43.261 1.00 53.41 ATOM 1701 HG1 PRO 113 45.245 -11.580 -43.552 1.00 37.59 ATOM 1702 HG2 PRO 113 44.505 -10.050 -44.066 1.00 25.33 ATOM 1703 CD PRO 113 43.236 -11.296 -42.882 1.00 44.21 ATOM 1704 HD1 PRO 113 43.319 -12.280 -42.443 1.00 37.59 ATOM 1705 HD2 PRO 113 42.582 -11.318 -43.743 1.00 20.21 ATOM 1706 C PRO 113 43.754 -7.995 -41.698 1.00 72.31 ATOM 1707 O PRO 113 43.659 -7.617 -42.868 1.00 4.05 ATOM 1708 N GLY 114 43.756 -7.151 -40.664 1.00 71.32 ATOM 1709 HN GLY 114 43.808 -7.516 -39.756 1.00 37.59 ATOM 1710 CA GLY 114 43.710 -5.702 -40.854 1.00 10.52 ATOM 1711 HA1 GLY 114 44.580 -5.403 -41.426 1.00 37.59 ATOM 1712 HA2 GLY 114 43.761 -5.228 -39.885 1.00 33.12 ATOM 1713 C GLY 114 42.455 -5.197 -41.570 1.00 34.25 ATOM 1714 O GLY 114 42.487 -4.154 -42.224 1.00 44.44 ATOM 1715 N THR 115 41.348 -5.929 -41.452 1.00 60.52 ATOM 1716 HN THR 115 41.383 -6.768 -40.946 1.00 37.59 ATOM 1717 CA THR 115 40.084 -5.518 -42.088 1.00 54.14 ATOM 1718 HA THR 115 40.323 -5.164 -43.083 1.00 32.05 ATOM 1719 CB THR 115 39.090 -6.706 -42.235 1.00 43.42 ATOM 1720 HB THR 115 39.545 -7.451 -42.873 1.00 61.21 ATOM 1721 OG1 THR 115 37.868 -6.267 -42.851 1.00 44.13 ATOM 1722 HG1 THR 115 38.022 -5.441 -43.331 1.00 74.15 ATOM 1723 CG2 THR 115 38.775 -7.353 -40.887 1.00 45.13 ATOM 1724 HG21 THR 115 38.103 -8.185 -41.035 1.00 41.24 ATOM 1725 HG22 THR 115 38.310 -6.627 -40.237 1.00 62.50 ATOM 1726 HG23 THR 115 39.691 -7.706 -40.433 1.00 40.02 ATOM 1727 C THR 115 39.397 -4.374 -41.322 1.00 21.41 ATOM 1728 O THR 115 39.057 -3.343 -41.901 1.00 72.54 ATOM 1729 N ASN 116 39.221 -4.547 -40.015 1.00 51.24 ATOM 1730 HN ASN 116 39.598 -5.342 -39.588 1.00 37.59 ATOM 1731 CA ASN 116 38.490 -3.576 -39.193 1.00 62.12 ATOM 1732 HA ASN 116 37.932 -2.930 -39.859 1.00 72.30 ATOM 1733 CB ASN 116 37.501 -4.312 -38.278 1.00 31.04 ATOM 1734 HB1 ASN 116 37.022 -3.596 -37.627 1.00 37.59 ATOM 1735 HB2 ASN 116 38.039 -5.034 -37.680 1.00 43.45 ATOM 1736 CG ASN 116 36.425 -5.042 -39.064 1.00 75.22 ATOM 1737 OD1 ASN 116 36.012 -4.601 -40.128 1.00 32.34 ATOM 1738 ND2 ASN 116 35.968 -6.166 -38.553 1.00 15.51 ATOM 1739 HD21 ASN 116 36.339 -6.479 -37.705 1.00 20.21 ATOM 1740 HD22 ASN 116 35.266 -6.638 -39.046 1.00 12.43 ATOM 1741 C ASN 116 39.442 -2.713 -38.345 1.00 52.24 ATOM 1742 O ASN 116 40.342 -3.238 -37.684 1.00 31.15 ATOM 1743 N PRO 117 39.239 -1.375 -38.333 1.00 21.54 ATOM 1744 CA PRO 117 40.060 -0.441 -37.530 1.00 33.22 ATOM 1745 HA PRO 117 41.082 -0.421 -37.884 1.00 33.30 ATOM 1746 CB PRO 117 39.399 0.932 -37.777 1.00 4.22 ATOM 1747 HB1 PRO 117 39.992 1.496 -38.484 1.00 37.59 ATOM 1748 HB2 PRO 117 39.327 1.480 -36.847 1.00 22.52 ATOM 1749 CG PRO 117 38.048 0.622 -38.332 1.00 40.45 ATOM 1750 HG1 PRO 117 37.726 1.419 -38.987 1.00 37.59 ATOM 1751 HG2 PRO 117 37.340 0.491 -37.525 1.00 13.21 ATOM 1752 CD PRO 117 38.205 -0.658 -39.103 1.00 30.43 ATOM 1753 HD1 PRO 117 38.542 -0.460 -40.111 1.00 37.59 ATOM 1754 HD2 PRO 117 37.275 -1.210 -39.115 1.00 60.22 ATOM 1755 C PRO 117 40.058 -0.789 -36.031 1.00 41.05 ATOM 1756 O PRO 117 40.951 -0.385 -35.283 1.00 51.21 ATOM 1757 N VAL 118 39.051 -1.553 -35.604 1.00 12.10 ATOM 1758 HN VAL 118 38.337 -1.786 -36.232 1.00 37.59 ATOM 1759 CA VAL 118 38.972 -2.046 -34.224 1.00 63.03 ATOM 1760 HA VAL 118 38.832 -1.192 -33.573 1.00 61.43 ATOM 1761 CB VAL 118 37.766 -3.005 -34.039 1.00 5.05 ATOM 1762 HB VAL 118 37.935 -3.882 -34.649 1.00 11.12 ATOM 1763 CG1 VAL 118 37.644 -3.457 -32.586 1.00 72.33 ATOM 1764 HG11 VAL 118 38.553 -3.959 -32.285 1.00 51.01 ATOM 1765 HG12 VAL 118 36.811 -4.138 -32.491 1.00 3.15 ATOM 1766 HG13 VAL 118 37.480 -2.597 -31.952 1.00 55.12 ATOM 1767 CG2 VAL 118 36.470 -2.347 -34.507 1.00 53.21 ATOM 1768 HG21 VAL 118 35.650 -3.040 -34.384 1.00 3.22 ATOM 1769 HG22 VAL 118 36.556 -2.074 -35.548 1.00 72.22 ATOM 1770 HG23 VAL 118 36.279 -1.461 -33.918 1.00 60.20 ATOM 1771 C VAL 118 40.267 -2.774 -33.820 1.00 1.22 ATOM 1772 O VAL 118 40.761 -2.613 -32.705 1.00 32.20 ATOM 1773 N LEU 119 40.825 -3.554 -34.750 1.00 60.11 ATOM 1774 HN LEU 119 40.379 -3.653 -35.617 1.00 37.59 ATOM 1775 CA LEU 119 42.093 -4.258 -34.514 1.00 64.31 ATOM 1776 HA LEU 119 41.967 -4.889 -33.644 1.00 14.43 ATOM 1777 CB LEU 119 42.443 -5.137 -35.724 1.00 53.42 ATOM 1778 HB1 LEU 119 43.357 -5.670 -35.502 1.00 37.59 ATOM 1779 HB2 LEU 119 42.625 -4.488 -36.571 1.00 4.22 ATOM 1780 CG LEU 119 41.371 -6.165 -36.124 1.00 2.51 ATOM 1781 HG LEU 119 40.454 -5.641 -36.355 1.00 15.53 ATOM 1782 CD1 LEU 119 41.795 -6.934 -37.372 1.00 43.34 ATOM 1783 HD11 LEU 119 41.952 -6.242 -38.187 1.00 41.23 ATOM 1784 HD12 LEU 119 41.020 -7.636 -37.641 1.00 34.15 ATOM 1785 HD13 LEU 119 42.713 -7.469 -37.173 1.00 42.40 ATOM 1786 CD2 LEU 119 41.086 -7.128 -34.973 1.00 51.30 ATOM 1787 HD21 LEU 119 41.995 -7.644 -34.699 1.00 41.51 ATOM 1788 HD22 LEU 119 40.343 -7.848 -35.282 1.00 20.24 ATOM 1789 HD23 LEU 119 40.715 -6.575 -34.122 1.00 34.53 ATOM 1790 C LEU 119 43.233 -3.260 -34.252 1.00 65.11 ATOM 1791 O LEU 119 44.071 -3.468 -33.373 1.00 14.41 ATOM 1792 N ASN 120 43.246 -2.174 -35.028 1.00 71.44 ATOM 1793 HN ASN 120 42.574 -2.094 -35.736 1.00 37.59 ATOM 1794 CA ASN 120 44.227 -1.095 -34.857 1.00 42.44 ATOM 1795 HA ASN 120 45.215 -1.532 -34.922 1.00 55.44 ATOM 1796 CB ASN 120 44.064 -0.060 -35.983 1.00 40.15 ATOM 1797 HB1 ASN 120 43.048 0.308 -35.975 1.00 37.59 ATOM 1798 HB2 ASN 120 44.257 -0.537 -36.934 1.00 50.41 ATOM 1799 CG ASN 120 45.004 1.125 -35.844 1.00 64.13 ATOM 1800 OD1 ASN 120 46.138 1.099 -36.309 1.00 62.13 ATOM 1801 ND2 ASN 120 44.529 2.185 -35.225 1.00 31.43 ATOM 1802 HD21 ASN 120 43.608 2.153 -34.893 1.00 13.14 ATOM 1803 HD22 ASN 120 45.116 2.961 -35.123 1.00 50.14 ATOM 1804 C ASN 120 44.070 -0.425 -33.480 1.00 45.51 ATOM 1805 O ASN 120 45.057 -0.096 -32.818 1.00 14.34 ATOM 1806 N ASN 121 42.819 -0.227 -33.057 1.00 13.12 ATOM 1807 HN ASN 121 42.076 -0.447 -33.660 1.00 37.59 ATOM 1808 CA ASN 121 42.523 0.312 -31.722 1.00 74.02 ATOM 1809 HA ASN 121 42.994 1.281 -31.646 1.00 43.02 ATOM 1810 CB ASN 121 41.008 0.476 -31.538 1.00 30.14 ATOM 1811 HB1 ASN 121 40.811 0.887 -30.559 1.00 37.59 ATOM 1812 HB2 ASN 121 40.536 -0.494 -31.620 1.00 0.44 ATOM 1813 CG ASN 121 40.397 1.399 -32.577 1.00 43.43 ATOM 1814 OD1 ASN 121 41.036 2.330 -33.052 1.00 54.23 ATOM 1815 ND2 ASN 121 39.159 1.149 -32.944 1.00 14.23 ATOM 1816 HD21 ASN 121 38.695 0.390 -32.533 1.00 21.45 ATOM 1817 HD22 ASN 121 38.758 1.731 -33.624 1.00 54.44 ATOM 1818 C ASN 121 43.091 -0.603 -30.627 1.00 4.21 ATOM 1819 O ASN 121 43.800 -0.147 -29.729 1.00 75.34 ATOM 1820 N LEU 122 42.786 -1.898 -30.722 1.00 21.31 ATOM 1821 HN LEU 122 42.171 -2.189 -31.430 1.00 37.59 ATOM 1822 CA LEU 122 43.332 -2.897 -29.796 1.00 74.12 ATOM 1823 HA LEU 122 42.941 -2.683 -28.812 1.00 22.12 ATOM 1824 CB LEU 122 42.892 -4.311 -30.211 1.00 35.33 ATOM 1825 HB1 LEU 122 43.445 -5.026 -29.616 1.00 37.59 ATOM 1826 HB2 LEU 122 43.160 -4.456 -31.250 1.00 35.15 ATOM 1827 CG LEU 122 41.393 -4.615 -30.053 1.00 70.13 ATOM 1828 HG LEU 122 40.822 -3.892 -30.619 1.00 53.04 ATOM 1829 CD1 LEU 122 41.064 -6.003 -30.594 1.00 30.13 ATOM 1830 HD11 LEU 122 40.011 -6.204 -30.457 1.00 62.54 ATOM 1831 HD12 LEU 122 41.643 -6.745 -30.063 1.00 42.51 ATOM 1832 HD13 LEU 122 41.303 -6.048 -31.647 1.00 4.04 ATOM 1833 CD2 LEU 122 40.978 -4.503 -28.588 1.00 44.42 ATOM 1834 HD21 LEU 122 41.185 -3.506 -28.229 1.00 20.02 ATOM 1835 HD22 LEU 122 41.531 -5.219 -28.000 1.00 44.10 ATOM 1836 HD23 LEU 122 39.920 -4.706 -28.497 1.00 22.22 ATOM 1837 C LEU 122 44.865 -2.827 -29.746 1.00 72.11 ATOM 1838 O LEU 122 45.457 -2.761 -28.672 1.00 43.30 ATOM 1839 N LEU 123 45.497 -2.831 -30.920 1.00 55.23 ATOM 1840 HN LEU 123 44.966 -2.897 -31.742 1.00 37.59 ATOM 1841 CA LEU 123 46.960 -2.746 -31.022 1.00 41.45 ATOM 1842 HA LEU 123 47.370 -3.647 -30.586 1.00 45.04 ATOM 1843 CB LEU 123 47.375 -2.676 -32.502 1.00 64.30 ATOM 1844 HB1 LEU 123 46.958 -1.774 -32.926 1.00 37.59 ATOM 1845 HB2 LEU 123 46.938 -3.524 -33.013 1.00 71.04 ATOM 1846 CG LEU 123 48.891 -2.680 -32.773 1.00 63.34 ATOM 1847 HG LEU 123 49.339 -1.833 -32.273 1.00 14.31 ATOM 1848 CD1 LEU 123 49.539 -3.947 -32.214 1.00 65.35 ATOM 1849 HD11 LEU 123 49.376 -3.995 -31.146 1.00 41.43 ATOM 1850 HD12 LEU 123 50.601 -3.928 -32.412 1.00 32.11 ATOM 1851 HD13 LEU 123 49.101 -4.817 -32.682 1.00 53.35 ATOM 1852 CD2 LEU 123 49.171 -2.544 -34.271 1.00 35.04 ATOM 1853 HD21 LEU 123 48.740 -1.622 -34.636 1.00 50.42 ATOM 1854 HD22 LEU 123 48.733 -3.379 -34.801 1.00 3.25 ATOM 1855 HD23 LEU 123 50.238 -2.530 -34.440 1.00 13.33 ATOM 1856 C LEU 123 47.512 -1.530 -30.253 1.00 24.05 ATOM 1857 O LEU 123 48.410 -1.666 -29.420 1.00 30.52 ATOM 1858 N SER 124 46.955 -0.349 -30.528 1.00 52.54 ATOM 1859 HN SER 124 46.245 -0.307 -31.205 1.00 37.59 ATOM 1860 CA SER 124 47.370 0.890 -29.848 1.00 53.34 ATOM 1861 HA SER 124 48.421 1.039 -30.047 1.00 11.44 ATOM 1862 CB SER 124 46.585 2.094 -30.394 1.00 62.44 ATOM 1863 HB1 SER 124 45.527 1.926 -30.252 1.00 37.59 ATOM 1864 HB2 SER 124 46.791 2.207 -31.449 1.00 44.14 ATOM 1865 OG SER 124 46.945 3.300 -29.729 1.00 1.54 ATOM 1866 HG SER 124 47.630 3.118 -29.070 1.00 15.25 ATOM 1867 C SER 124 47.164 0.794 -28.328 1.00 1.12 ATOM 1868 O SER 124 48.039 1.168 -27.545 1.00 41.42 ATOM 1869 N CYS 125 46.003 0.288 -27.919 1.00 3.34 ATOM 1870 HN CYS 125 45.350 -0.006 -28.591 1.00 37.59 ATOM 1871 CA CYS 125 45.668 0.161 -26.495 1.00 14.40 ATOM 1872 HA CYS 125 45.763 1.141 -26.051 1.00 23.14 ATOM 1873 CB CYS 125 44.220 -0.313 -26.328 1.00 44.33 ATOM 1874 HB1 CYS 125 43.989 -0.382 -25.274 1.00 37.59 ATOM 1875 HB2 CYS 125 44.110 -1.288 -26.780 1.00 31.21 ATOM 1876 SG CYS 125 43.001 0.787 -27.087 1.00 24.33 ATOM 1877 HG CYS 125 43.298 2.031 -26.733 1.00 13.34 ATOM 1878 C CYS 125 46.623 -0.796 -25.766 1.00 13.43 ATOM 1879 O CYS 125 47.137 -0.474 -24.698 1.00 0.11 ATOM 1880 N VAL 126 46.861 -1.969 -26.351 1.00 3.43 ATOM 1881 HN VAL 126 46.409 -2.178 -27.196 1.00 37.59 ATOM 1882 CA VAL 126 47.777 -2.960 -25.766 1.00 41.32 ATOM 1883 HA VAL 126 47.407 -3.204 -24.780 1.00 74.44 ATOM 1884 CB VAL 126 47.807 -4.261 -26.607 1.00 11.51 ATOM 1885 HB VAL 126 48.126 -4.007 -27.611 1.00 60.34 ATOM 1886 CG1 VAL 126 48.805 -5.268 -26.033 1.00 13.55 ATOM 1887 HG11 VAL 126 48.538 -5.503 -25.012 1.00 43.11 ATOM 1888 HG12 VAL 126 49.800 -4.846 -26.056 1.00 3.43 ATOM 1889 HG13 VAL 126 48.788 -6.173 -26.625 1.00 2.45 ATOM 1890 CG2 VAL 126 46.412 -4.876 -26.692 1.00 22.03 ATOM 1891 HG21 VAL 126 46.448 -5.768 -27.302 1.00 33.45 ATOM 1892 HG22 VAL 126 45.730 -4.167 -27.135 1.00 63.15 ATOM 1893 HG23 VAL 126 46.068 -5.134 -25.700 1.00 5.04 ATOM 1894 C VAL 126 49.206 -2.404 -25.634 1.00 30.53 ATOM 1895 O VAL 126 49.875 -2.606 -24.614 1.00 30.23 ATOM 1896 N GLN 127 49.671 -1.706 -26.670 1.00 40.43 ATOM 1897 HN GLN 127 49.117 -1.626 -27.478 1.00 37.59 ATOM 1898 CA GLN 127 50.987 -1.056 -26.638 1.00 45.33 ATOM 1899 HA GLN 127 51.725 -1.821 -26.437 1.00 32.34 ATOM 1900 CB GLN 127 51.295 -0.419 -28.003 1.00 10.45 ATOM 1901 HB1 GLN 127 52.208 0.156 -27.924 1.00 37.59 ATOM 1902 HB2 GLN 127 50.484 0.246 -28.268 1.00 21.44 ATOM 1903 CG GLN 127 51.467 -1.440 -29.124 1.00 72.25 ATOM 1904 HG1 GLN 127 50.595 -2.082 -29.142 1.00 37.59 ATOM 1905 HG2 GLN 127 52.342 -2.039 -28.917 1.00 71.44 ATOM 1906 CD GLN 127 51.626 -0.809 -30.501 1.00 51.14 ATOM 1907 OE1 GLN 127 51.098 0.261 -30.780 1.00 45.34 ATOM 1908 NE2 GLN 127 52.360 -1.471 -31.376 1.00 33.40 ATOM 1909 HE21 GLN 127 52.756 -2.320 -31.100 1.00 72.13 ATOM 1910 HE22 GLN 127 52.467 -1.083 -32.270 1.00 72.44 ATOM 1911 C GLN 127 51.056 -0.004 -25.518 1.00 40.45 ATOM 1912 O GLN 127 52.097 0.173 -24.880 1.00 11.02 ATOM 1913 N GLU 128 49.939 0.678 -25.272 1.00 42.10 ATOM 1914 HN GLU 128 49.156 0.533 -25.847 1.00 37.59 ATOM 1915 CA GLU 128 49.846 1.649 -24.176 1.00 11.01 ATOM 1916 HA GLU 128 50.687 2.325 -24.258 1.00 32.32 ATOM 1917 CB GLU 128 48.545 2.455 -24.293 1.00 53.11 ATOM 1918 HB1 GLU 128 47.706 1.794 -24.118 1.00 37.59 ATOM 1919 HB2 GLU 128 48.470 2.852 -25.296 1.00 64.21 ATOM 1920 CG GLU 128 48.446 3.619 -23.313 1.00 44.14 ATOM 1921 HG1 GLU 128 48.572 3.239 -22.308 1.00 37.59 ATOM 1922 HG2 GLU 128 47.467 4.067 -23.405 1.00 35.22 ATOM 1923 CD GLU 128 49.495 4.688 -23.572 1.00 51.42 ATOM 1924 OE1 GLU 128 49.428 5.343 -24.635 1.00 34.44 ATOM 1925 OE2 GLU 128 50.387 4.887 -22.723 1.00 33.32 ATOM 1926 C GLU 128 49.904 0.947 -22.807 1.00 33.34 ATOM 1927 O GLU 128 50.739 1.275 -21.964 1.00 61.22 ATOM 1928 N ILE 129 49.020 -0.035 -22.607 1.00 3.42 ATOM 1929 HN ILE 129 48.394 -0.258 -23.327 1.00 37.59 ATOM 1930 CA ILE 129 48.947 -0.786 -21.342 1.00 34.10 ATOM 1931 HA ILE 129 48.621 -0.103 -20.570 1.00 14.44 ATOM 1932 CB ILE 129 47.915 -1.946 -21.436 1.00 53.35 ATOM 1933 HB ILE 129 48.231 -2.611 -22.228 1.00 64.11 ATOM 1934 CG1 ILE 129 46.519 -1.398 -21.775 1.00 53.44 ATOM 1935 HG11 ILE 129 46.579 -0.812 -22.681 1.00 37.59 ATOM 1936 HG12 ILE 129 46.181 -0.765 -20.967 1.00 2.54 ATOM 1937 CG2 ILE 129 47.875 -2.755 -20.135 1.00 51.30 ATOM 1938 HG21 ILE 129 47.128 -3.533 -20.215 1.00 34.22 ATOM 1939 HG22 ILE 129 47.627 -2.105 -19.308 1.00 4.11 ATOM 1940 HG23 ILE 129 48.841 -3.206 -19.958 1.00 25.50 ATOM 1941 CD1 ILE 129 45.473 -2.474 -21.986 1.00 74.13 ATOM 1942 HD11 ILE 129 44.529 -2.013 -22.232 1.00 23.35 ATOM 1943 HD12 ILE 129 45.363 -3.055 -21.082 1.00 64.43 ATOM 1944 HD13 ILE 129 45.778 -3.124 -22.795 1.00 41.45 ATOM 1945 C ILE 129 50.315 -1.368 -20.949 1.00 50.22 ATOM 1946 O ILE 129 50.783 -1.188 -19.822 1.00 70.32 ATOM 1947 N SER 130 50.956 -2.055 -21.894 1.00 31.34 ATOM 1948 HN SER 130 50.530 -2.164 -22.770 1.00 37.59 ATOM 1949 CA SER 130 52.279 -2.652 -21.663 1.00 23.53 ATOM 1950 HA SER 130 52.184 -3.347 -20.840 1.00 71.43 ATOM 1951 CB SER 130 52.746 -3.422 -22.908 1.00 63.12 ATOM 1952 HB1 SER 130 52.058 -4.231 -23.105 1.00 37.59 ATOM 1953 HB2 SER 130 53.733 -3.824 -22.736 1.00 44.52 ATOM 1954 OG SER 130 52.792 -2.580 -24.052 1.00 44.35 ATOM 1955 HG SER 130 51.936 -2.602 -24.500 1.00 24.04 ATOM 1956 C SER 130 53.321 -1.589 -21.286 1.00 1.15 ATOM 1957 O SER 130 54.155 -1.812 -20.408 1.00 4.04 ATOM 1958 N ASP 131 53.264 -0.433 -21.947 1.00 3.51 ATOM 1959 HN ASP 131 52.591 -0.323 -22.654 1.00 37.59 ATOM 1960 CA ASP 131 54.185 0.676 -21.660 1.00 22.13 ATOM 1961 HA ASP 131 55.192 0.291 -21.748 1.00 52.04 ATOM 1962 CB ASP 131 53.991 1.793 -22.691 1.00 15.34 ATOM 1963 HB1 ASP 131 52.957 2.109 -22.679 1.00 37.59 ATOM 1964 HB2 ASP 131 54.230 1.408 -23.673 1.00 24.51 ATOM 1965 CG ASP 131 54.873 3.002 -22.422 1.00 35.35 ATOM 1966 OD1 ASP 131 56.052 2.991 -22.836 1.00 65.44 ATOM 1967 OD2 ASP 131 54.391 3.972 -21.800 1.00 73.20 ATOM 1968 C ASP 131 53.990 1.228 -20.235 1.00 73.51 ATOM 1969 O ASP 131 54.962 1.513 -19.532 1.00 43.53 ATOM 1970 N VAL 132 52.734 1.372 -19.812 1.00 3.51 ATOM 1971 HN VAL 132 51.999 1.126 -20.416 1.00 37.59 ATOM 1972 CA VAL 132 52.416 1.897 -18.476 1.00 42.32 ATOM 1973 HA VAL 132 52.815 2.901 -18.417 1.00 65.24 ATOM 1974 CB VAL 132 50.882 1.975 -18.253 1.00 32.22 ATOM 1975 HB VAL 132 50.472 0.979 -18.364 1.00 22.25 ATOM 1976 CG1 VAL 132 50.562 2.464 -16.842 1.00 4.20 ATOM 1977 HG11 VAL 132 50.995 3.443 -16.690 1.00 72.53 ATOM 1978 HG12 VAL 132 50.972 1.774 -16.117 1.00 75.41 ATOM 1979 HG13 VAL 132 49.490 2.520 -16.713 1.00 3.13 ATOM 1980 CG2 VAL 132 50.226 2.879 -19.299 1.00 30.00 ATOM 1981 HG21 VAL 132 49.160 2.928 -19.121 1.00 72.23 ATOM 1982 HG22 VAL 132 50.405 2.479 -20.287 1.00 32.10 ATOM 1983 HG23 VAL 132 50.646 3.872 -19.234 1.00 60.34 ATOM 1984 C VAL 132 53.056 1.050 -17.354 1.00 42.03 ATOM 1985 O VAL 132 53.491 1.580 -16.327 1.00 62.54 ATOM 1986 N VAL 133 53.118 -0.265 -17.561 1.00 3.43 ATOM 1987 HN VAL 133 52.736 -0.635 -18.387 1.00 37.59 ATOM 1988 CA VAL 133 53.729 -1.180 -16.582 1.00 53.05 ATOM 1989 HA VAL 133 53.326 -0.937 -15.608 1.00 35.01 ATOM 1990 CB VAL 133 53.361 -2.655 -16.905 1.00 51.11 ATOM 1991 HB VAL 133 53.826 -2.919 -17.845 1.00 21.04 ATOM 1992 CG1 VAL 133 53.889 -3.612 -15.836 1.00 13.11 ATOM 1993 HG11 VAL 133 53.627 -4.628 -16.098 1.00 5.34 ATOM 1994 HG12 VAL 133 53.452 -3.364 -14.878 1.00 72.15 ATOM 1995 HG13 VAL 133 54.964 -3.524 -15.772 1.00 5.40 ATOM 1996 CG2 VAL 133 51.850 -2.809 -17.069 1.00 4.14 ATOM 1997 HG21 VAL 133 51.508 -2.176 -17.876 1.00 21.41 ATOM 1998 HG22 VAL 133 51.354 -2.520 -16.154 1.00 13.01 ATOM 1999 HG23 VAL 133 51.614 -3.838 -17.297 1.00 4.03 ATOM 2000 C VAL 133 55.267 -1.026 -16.538 1.00 40.24 ATOM 2001 O VAL 133 55.924 -1.437 -15.579 1.00 13.52 ATOM 2002 N GLN 134 55.835 -0.415 -17.578 1.00 23.31 ATOM 2003 HN GLN 134 55.260 -0.064 -18.293 1.00 37.59 ATOM 2004 CA GLN 134 57.294 -0.242 -17.690 1.00 50.43 ATOM 2005 HA GLN 134 57.771 -1.036 -17.130 1.00 41.41 ATOM 2006 CB GLN 134 57.711 -0.353 -19.165 1.00 22.13 ATOM 2007 HB1 GLN 134 58.791 -0.333 -19.228 1.00 37.59 ATOM 2008 HB2 GLN 134 57.312 0.496 -19.706 1.00 62.42 ATOM 2009 CG GLN 134 57.215 -1.625 -19.842 1.00 34.14 ATOM 2010 HG1 GLN 134 56.146 -1.698 -19.697 1.00 37.59 ATOM 2011 HG2 GLN 134 57.695 -2.475 -19.377 1.00 24.15 ATOM 2012 CD GLN 134 57.505 -1.666 -21.334 1.00 2.53 ATOM 2013 OE1 GLN 134 58.504 -1.137 -21.808 1.00 30.11 ATOM 2014 NE2 GLN 134 56.621 -2.288 -22.090 1.00 34.54 ATOM 2015 HE21 GLN 134 55.840 -2.682 -21.654 1.00 4.11 ATOM 2016 HE22 GLN 134 56.782 -2.324 -23.055 1.00 54.20 ATOM 2017 C GLN 134 57.755 1.114 -17.119 1.00 61.00 ATOM 2018 O GLN 134 58.940 1.446 -17.169 1.00 31.10 ATOM 2019 N ARG 135 56.817 1.881 -16.562 1.00 63.10 ATOM 2020 HN ARG 135 55.908 1.524 -16.470 1.00 37.59 ATOM 2021 HA ARG 135 57.910 3.639 -16.682 1.00 32.13 ATOM 2022 CB ARG 135 55.868 4.134 -16.287 1.00 72.53 ATOM 2023 HB1 ARG 135 56.106 5.142 -15.974 1.00 37.59 ATOM 2024 HB2 ARG 135 55.061 3.757 -15.674 1.00 15.00 ATOM 2025 CG ARG 135 55.390 4.181 -17.732 1.00 45.44 ATOM 2026 HG1 ARG 135 55.109 3.183 -18.038 1.00 37.59 ATOM 2027 HG2 ARG 135 56.197 4.535 -18.358 1.00 75.42 ATOM 2028 CD ARG 135 54.191 5.104 -17.905 1.00 62.40 ATOM 2029 HD1 ARG 135 54.470 6.100 -17.587 1.00 37.59 ATOM 2030 HD2 ARG 135 53.381 4.745 -17.286 1.00 44.04 ATOM 2031 NE ARG 135 53.739 5.157 -19.292 1.00 43.43 ATOM 2032 HE ARG 135 53.940 4.388 -19.866 1.00 1.04 ATOM 2033 CZ ARG 135 53.087 6.159 -19.814 1.00 73.45 ATOM 2034 NH1 ARG 135 52.812 7.212 -19.108 1.00 63.41 ATOM 2035 HH11 ARG 135 53.100 7.263 -18.157 1.00 62.53 ATOM 2036 HH12 ARG 135 52.314 7.972 -19.523 1.00 63.02 ATOM 2037 NH2 ARG 135 52.723 6.108 -21.052 1.00 4.54 ATOM 2038 HH21 ARG 135 52.944 5.301 -21.603 1.00 42.35 ATOM 2039 HH22 ARG 135 52.226 6.872 -21.456 1.00 20.43 ATOM 2040 CA ARG 135 57.101 3.246 -16.080 1.00 32.43 ATOM 2041 C ARG 135 57.535 3.279 -14.596 1.00 72.14 ATOM 2042 OT1 ARG 135 58.722 3.570 -14.321 1.00 37.59 ATOM 2043 OT2 ARG 135 56.690 3.018 -13.713 1.00 37.59 ATOM 2044 OH2 TIP3 1 18.582 -26.815 -14.923 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 1 18.723 -27.092 -15.861 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 1 17.732 -27.200 -14.690 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 2 18.943 -20.236 -25.713 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 2 18.296 -20.289 -26.425 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 2 18.633 -19.473 -25.163 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 3 16.621 -11.177 -22.027 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 3 16.465 -11.742 -22.807 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 3 16.403 -10.267 -22.337 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 4 17.812 -15.516 -23.528 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 4 18.751 -15.355 -23.771 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 4 17.374 -14.659 -23.693 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 5 16.075 -18.878 -22.204 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 5 15.114 -18.957 -22.251 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 5 16.223 -18.025 -21.737 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 6 20.786 -2.736 -18.488 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 6 21.704 -2.584 -18.195 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 6 20.280 -2.007 -18.074 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 7 16.998 -12.902 -24.289 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 7 17.928 -12.639 -24.459 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 7 16.608 -12.982 -25.167 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 8 19.342 -11.291 -21.805 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 8 18.370 -11.416 -21.720 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 8 19.440 -10.336 -21.993 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 9 16.570 -8.512 -22.542 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 9 16.377 -7.571 -22.454 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 9 17.537 -8.544 -22.721 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 10 17.385 -2.949 -23.786 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 10 17.291 -2.335 -24.554 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 10 18.199 -3.471 -23.999 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 11 15.462 -6.939 -19.750 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 11 15.343 -7.895 -19.734 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 11 15.094 -6.666 -20.615 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 12 15.902 -15.602 -18.626 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 12 16.007 -15.752 -19.587 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 12 16.100 -14.655 -18.510 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 13 21.174 -6.706 -22.616 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 13 21.360 -6.903 -23.565 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 13 21.388 -5.752 -22.525 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 14 19.965 -9.906 -25.273 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 14 19.965 -10.854 -25.004 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 14 19.622 -9.915 -26.174 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 15 19.649 -10.845 -18.056 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 15 20.350 -10.542 -18.659 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 15 18.827 -10.773 -18.586 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 16 20.493 -15.065 -24.020 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 16 21.290 -15.176 -24.589 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 16 20.683 -15.629 -23.232 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 17 19.243 -8.746 -22.951 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 17 19.442 -9.141 -23.831 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 17 19.863 -7.992 -22.882 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 18 20.507 -13.321 -20.396 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 18 20.046 -12.613 -20.893 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 18 21.089 -13.745 -21.066 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 19 21.000 -16.677 -21.875 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 19 20.705 -17.609 -21.893 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 19 20.942 -16.428 -20.943 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 20 16.760 -16.399 -21.141 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 20 17.169 -15.986 -21.933 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 20 17.513 -16.839 -20.683 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 21 18.702 -27.670 -17.488 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 21 19.133 -26.965 -18.024 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 21 18.507 -28.362 -18.126 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 22 17.926 -20.965 -22.089 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 22 17.697 -21.505 -21.319 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 22 17.208 -20.294 -22.134 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 23 17.112 -5.032 -22.050 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 23 16.179 -5.317 -22.088 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 23 17.155 -4.268 -22.664 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 24 19.087 -6.252 -20.774 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 24 19.848 -6.399 -21.370 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 24 18.376 -5.916 -21.371 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 25 19.548 -7.406 -12.449 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 25 18.898 -8.118 -12.665 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 25 19.845 -7.624 -11.540 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 26 16.916 -13.838 -15.352 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 26 16.057 -14.192 -15.093 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 26 17.422 -14.632 -15.648 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 27 17.337 -5.258 -18.732 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 27 18.074 -5.574 -19.289 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 27 16.621 -5.917 -18.893 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 28 19.222 -5.650 -9.395 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 28 19.508 -6.563 -9.626 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 28 18.555 -5.779 -8.710 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 29 16.918 -13.012 -18.039 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 29 17.782 -13.444 -18.217 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 29 16.826 -13.059 -17.069 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 30 18.179 -16.010 -16.392 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 30 17.746 -16.798 -16.783 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 30 18.548 -15.530 -17.169 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 31 17.139 -10.655 -19.404 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 31 16.902 -11.440 -18.860 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 31 16.830 -10.890 -20.305 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 32 18.495 -11.879 -14.237 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 32 17.877 -12.554 -14.602 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 32 19.006 -12.365 -13.551 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 33 18.428 -8.298 -19.039 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 33 17.806 -9.008 -19.307 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 33 18.455 -7.696 -19.807 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 34 19.354 -14.257 -18.122 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 34 19.791 -14.013 -18.974 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 34 19.843 -13.742 -17.446 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 35 20.362 -12.598 -16.164 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 35 20.165 -11.917 -16.849 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 35 19.764 -12.373 -15.430 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 36 20.242 -13.150 -12.500 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 36 20.418 -14.031 -12.855 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 36 20.671 -13.157 -11.616 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 37 16.923 -18.037 -17.782 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 37 16.342 -17.269 -17.981 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 37 17.436 -18.166 -18.606 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 38 20.561 -16.251 -15.148 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 38 19.646 -16.092 -15.468 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 38 20.659 -17.226 -15.193 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 39 18.112 -19.899 -16.067 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 39 17.456 -20.472 -15.603 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 39 17.562 -19.303 -16.620 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 40 16.543 -21.840 -14.966 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 40 15.677 -22.121 -14.662 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 40 17.103 -22.641 -14.876 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 41 17.895 -9.357 -13.332 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 41 18.119 -10.232 -13.723 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 41 16.940 -9.386 -13.220 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 42 16.070 1.126 -29.310 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 42 15.490 1.912 -29.342 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 42 16.927 1.442 -29.675 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 43 14.306 3.100 -28.331 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 43 14.949 3.705 -27.893 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 43 13.969 2.540 -27.601 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 44 15.178 7.599 -28.946 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 44 14.596 8.262 -29.329 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 44 14.900 7.542 -28.013 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 45 7.844 11.362 -27.133 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 45 7.472 11.442 -28.016 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 45 7.497 12.144 -26.654 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 46 11.854 13.292 -25.768 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 46 11.971 12.492 -26.321 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 46 10.887 13.322 -25.593 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 47 13.662 1.610 -26.020 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 47 13.723 0.636 -25.912 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 47 12.803 1.840 -25.600 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 48 12.125 4.429 -29.371 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 48 12.930 3.973 -29.038 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 48 12.103 4.212 -30.308 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 49 16.027 4.795 -27.092 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 49 15.641 5.634 -26.788 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 49 16.763 5.072 -27.676 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 50 7.061 6.585 -24.012 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 50 6.393 6.794 -23.324 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 50 7.103 7.387 -24.553 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 51 14.697 -2.166 -23.455 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 51 14.449 -1.773 -24.319 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 51 15.637 -2.405 -23.563 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 52 6.552 11.852 -23.243 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 52 6.901 12.421 -22.527 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 52 5.997 11.187 -22.772 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 53 14.072 9.878 -25.825 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 53 13.359 10.272 -26.374 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 53 14.882 10.366 -26.100 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 54 14.554 -6.058 -22.217 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 54 14.029 -5.261 -21.963 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 54 14.053 -6.448 -22.944 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 55 13.910 12.560 -29.094 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 55 14.243 13.104 -28.345 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 55 14.179 13.048 -29.879 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 56 12.269 11.167 -27.481 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 56 12.865 11.604 -28.140 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 56 11.487 10.929 -27.992 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 57 13.030 4.434 -21.306 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 57 12.783 3.665 -20.756 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 57 12.211 4.978 -21.340 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 58 7.788 4.918 -27.324 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 58 8.752 5.098 -27.364 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 58 7.508 4.925 -28.242 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 59 6.967 3.928 -24.953 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 59 7.158 4.230 -25.870 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 59 6.753 4.749 -24.477 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 60 7.665 8.465 -21.628 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 60 8.386 8.826 -22.185 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 60 6.894 9.014 -21.852 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 61 9.235 5.099 -23.169 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 61 8.524 5.626 -23.597 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 61 9.916 5.003 -23.867 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 62 5.532 8.383 -19.580 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 62 6.464 8.611 -19.358 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 62 5.165 8.063 -18.748 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 63 11.342 -2.050 -21.325 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 63 10.857 -2.257 -20.521 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 63 12.037 -2.737 -21.372 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 64 8.546 1.813 -24.430 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 64 7.980 2.604 -24.621 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 64 8.025 1.070 -24.749 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 65 17.036 2.336 -17.260 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 65 16.274 2.021 -17.804 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 65 16.731 2.230 -16.338 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 66 15.014 -1.247 -28.404 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 66 15.088 -1.894 -29.111 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 66 15.348 -0.414 -28.803 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 67 13.895 -1.152 -25.913 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 67 14.411 -1.256 -26.748 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 67 13.043 -1.557 -26.112 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 68 11.160 11.343 -20.346 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 68 11.103 11.454 -21.320 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 68 12.019 11.736 -20.117 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 69 5.108 6.865 -22.015 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 69 5.247 7.230 -21.122 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 69 5.059 5.896 -21.875 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 70 11.368 4.682 -24.984 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 70 11.346 3.704 -24.876 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 70 11.019 4.831 -25.887 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 71 11.269 1.950 -24.658 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 71 10.288 1.884 -24.609 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 71 11.585 1.243 -24.043 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 72 10.843 6.023 -21.218 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 72 10.608 6.952 -21.056 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 72 10.177 5.716 -21.871 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 73 14.906 7.296 -26.163 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 73 14.493 8.146 -25.876 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 73 14.514 6.621 -25.561 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 74 10.466 5.474 -27.523 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 74 10.793 6.379 -27.507 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 74 11.024 5.027 -28.208 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 75 9.741 9.496 -22.981 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 75 9.177 9.588 -23.782 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 75 10.353 10.260 -23.031 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 76 12.168 -0.152 -23.142 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 76 13.100 -0.391 -23.068 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 76 11.718 -0.740 -22.495 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 77 9.698 2.462 -19.520 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 77 9.669 3.395 -19.215 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 77 9.237 2.480 -20.389 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 78 14.155 5.075 -24.784 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 78 13.205 4.918 -24.588 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 78 14.460 4.234 -25.158 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 79 16.385 11.158 -26.433 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 79 16.106 11.996 -26.837 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 79 17.010 11.434 -25.717 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 80 8.435 11.600 -19.752 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 80 8.180 10.790 -19.276 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 80 9.403 11.511 -19.876 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 81 7.717 6.035 -20.508 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 81 7.725 6.964 -20.845 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 81 7.384 5.516 -21.260 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 82 8.340 2.838 -21.883 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 82 8.434 2.211 -22.626 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 82 8.692 3.680 -22.241 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 83 17.908 2.832 -21.307 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 83 18.207 2.065 -20.783 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 83 17.528 3.440 -20.638 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 84 12.415 2.721 -19.199 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 84 12.327 3.110 -18.300 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 84 11.512 2.391 -19.403 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 85 14.963 1.673 -18.915 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 85 15.103 1.172 -19.724 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 85 14.056 2.040 -19.014 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 86 13.586 -3.646 -21.457 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 86 14.223 -3.498 -20.722 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 86 13.918 -3.064 -22.182 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 87 18.052 11.991 -24.450 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 87 17.876 12.793 -23.915 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 87 18.699 11.491 -23.923 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 88 19.557 4.391 -29.202 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 88 18.870 5.090 -29.154 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 88 19.072 3.599 -29.504 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 89 18.698 1.817 -29.908 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 89 19.029 1.195 -29.227 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 89 19.422 1.854 -30.568 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 90 19.002 1.593 -26.182 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 90 19.331 0.967 -26.859 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 90 18.027 1.564 -26.283 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 91 17.197 -1.245 -25.850 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 91 16.795 -0.362 -25.995 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 91 17.605 -1.459 -26.698 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 92 5.234 9.848 -21.952 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 92 5.207 9.565 -21.014 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 92 4.740 9.156 -22.420 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 93 7.390 13.606 -21.195 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 93 7.822 12.899 -20.647 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 93 6.664 13.918 -20.643 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 94 11.901 14.826 -23.325 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 94 11.003 15.013 -22.988 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 94 11.749 14.438 -24.206 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 95 18.880 -3.047 -20.679 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 95 19.526 -3.141 -19.949 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 95 18.625 -3.961 -20.892 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 96 7.789 9.851 -24.823 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 96 7.307 10.528 -24.311 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 96 7.854 10.233 -25.724 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 97 14.138 11.648 -23.654 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 97 14.043 10.906 -24.288 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 97 14.918 11.403 -23.116 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 98 11.227 11.783 -23.106 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 98 12.083 11.830 -23.568 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 98 10.624 12.318 -23.661 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 99 6.729 13.270 -25.528 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 99 5.953 13.831 -25.647 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 99 6.535 12.763 -24.702 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 100 16.330 1.243 -26.561 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 100 15.450 1.506 -26.223 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 100 16.220 1.239 -27.536 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 101 15.385 -3.308 -19.437 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 101 16.125 -3.939 -19.309 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 101 14.924 -3.312 -18.591 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 102 13.524 2.727 -14.649 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 102 14.383 2.668 -15.089 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 102 13.642 2.212 -13.828 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 103 12.049 3.828 -16.685 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 103 12.466 3.335 -15.941 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 103 11.248 4.222 -16.290 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 104 16.388 1.964 -14.559 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 104 15.778 1.703 -13.834 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 104 17.091 1.269 -14.539 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 105 14.899 -1.431 -13.602 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 105 15.761 -1.527 -13.147 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 105 14.743 -2.293 -13.997 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 106 17.056 4.291 -19.219 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 106 16.117 4.589 -19.203 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 106 17.142 3.741 -18.414 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 107 13.541 6.105 -16.931 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 107 13.095 5.263 -16.702 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 107 12.831 6.643 -17.347 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 108 7.991 3.466 -15.097 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 108 7.980 3.033 -15.989 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 108 7.507 2.851 -14.534 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 109 9.349 5.046 -18.590 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 109 8.908 5.408 -19.392 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 109 8.709 5.204 -17.877 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 110 16.783 4.724 -14.597 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 110 16.724 3.749 -14.604 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 110 16.437 4.977 -13.737 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 111 10.189 5.093 -14.967 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 111 10.673 4.938 -14.146 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 111 9.423 4.475 -14.917 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 112 18.616 6.781 -18.467 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 112 17.921 6.542 -17.821 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 112 19.445 6.786 -17.933 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 113 14.648 1.085 -12.651 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 113 14.534 0.215 -13.102 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 113 14.943 0.846 -11.752 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 114 8.114 8.918 -18.618 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 114 8.784 8.678 -19.287 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 114 8.440 8.507 -17.796 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 115 7.127 5.666 -16.578 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 115 7.315 5.034 -15.857 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 115 7.717 6.424 -16.395 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 116 9.375 7.271 -16.488 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 116 10.120 7.333 -17.121 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 116 9.695 6.641 -15.810 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 117 10.422 8.686 -20.383 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 117 10.129 8.835 -21.309 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 117 10.879 9.522 -20.148 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 118 14.627 5.382 -19.325 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 118 13.943 5.041 -19.946 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 118 14.129 5.590 -18.508 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 119 6.330 4.385 -18.817 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 119 6.335 4.819 -17.936 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 119 6.784 5.029 -19.399 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 120 5.805 4.170 -21.512 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 120 5.731 3.973 -20.558 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 120 6.420 3.493 -21.845 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 121 7.761 2.355 -17.526 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 121 7.104 2.846 -18.055 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 121 8.468 2.137 -18.167 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 122 21.403 5.737 -14.432 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 122 20.956 5.240 -13.717 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 122 22.306 5.843 -14.115 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 123 20.583 4.104 -12.341 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 123 19.722 4.212 -11.922 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 123 21.223 4.110 -11.585 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 124 18.718 0.783 -19.559 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 124 19.214 0.303 -18.866 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 124 17.970 0.179 -19.776 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 125 15.608 -0.016 -10.208 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 125 15.980 0.510 -9.489 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 125 14.860 -0.477 -9.806 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 126 16.961 -1.160 -20.226 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 126 17.649 -1.843 -20.377 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 126 16.178 -1.672 -19.949 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 127 17.211 -1.381 -12.053 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 127 17.753 -2.084 -11.629 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 127 16.754 -0.946 -11.304 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 128 18.162 -0.063 -14.294 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 128 17.894 -0.569 -13.496 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 128 19.107 -0.280 -14.409 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 129 19.478 -0.596 -17.256 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 129 20.067 -0.458 -16.478 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 129 18.584 -0.564 -16.881 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 130 18.828 -3.447 -11.099 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 130 18.861 -4.163 -10.431 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 130 18.921 -3.917 -11.957 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 131 18.809 -4.892 -16.293 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 131 18.183 -5.144 -17.004 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 131 19.306 -4.155 -16.669 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 132 11.349 6.940 -18.384 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 132 11.212 7.535 -19.148 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 132 10.845 6.128 -18.620 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 133 16.355 16.667 -22.404 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 133 15.593 16.408 -22.937 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 133 16.224 17.606 -22.240 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 134 9.389 13.276 -24.639 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 134 8.504 13.200 -25.049 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 134 9.271 13.963 -23.948 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 135 9.161 15.149 -22.670 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 135 8.606 14.605 -22.064 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 135 8.802 16.039 -22.583 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 136 17.694 9.537 -21.280 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 136 17.102 10.321 -21.312 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 136 18.445 9.784 -21.852 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 137 13.541 12.708 -21.152 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 137 13.103 13.560 -21.277 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 137 13.442 12.260 -22.013 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 138 14.555 14.374 -23.904 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 138 13.690 14.775 -23.671 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 138 14.375 13.409 -23.901 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 139 14.510 13.711 -26.688 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 139 14.944 14.147 -25.937 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 139 13.563 13.712 -26.444 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 140 15.558 8.386 -18.446 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 140 15.913 7.800 -17.745 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 140 15.198 9.136 -17.965 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 141 26.424 -28.731 -18.899 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 141 25.710 -28.201 -19.319 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 141 27.215 -28.507 -19.411 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 142 22.721 -25.996 -18.604 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 142 22.863 -25.088 -18.933 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 142 23.376 -26.531 -19.089 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 143 28.930 -28.565 -20.988 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 143 28.777 -29.341 -21.542 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 143 29.748 -28.792 -20.479 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 144 31.530 -24.194 -18.606 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 144 30.742 -24.005 -18.044 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 144 31.242 -23.951 -19.511 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 145 30.769 -26.305 -21.215 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 145 30.092 -26.983 -21.367 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 145 31.369 -26.713 -20.575 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 146 27.104 -26.534 -21.346 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 146 27.568 -25.750 -21.656 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 146 27.798 -27.221 -21.295 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 147 33.542 -26.254 -22.944 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 147 34.066 -25.532 -23.313 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 147 32.753 -25.820 -22.592 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 148 20.025 -25.963 -19.143 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 148 20.960 -26.044 -18.844 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 148 20.050 -26.259 -20.083 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 149 31.400 -29.008 -20.000 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 149 31.997 -29.058 -20.782 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 149 32.014 -29.001 -19.233 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 150 26.707 -28.817 -15.830 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 150 26.723 -28.789 -16.804 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 150 27.496 -29.323 -15.591 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 151 20.380 -26.721 -21.749 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 151 21.312 -26.414 -21.741 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 151 20.134 -26.700 -22.677 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 152 24.639 -27.126 -20.371 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 152 23.957 -26.758 -20.975 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 152 25.491 -26.842 -20.774 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 153 26.007 -21.812 -23.325 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 153 26.781 -21.395 -23.748 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 153 26.241 -21.855 -22.392 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 154 22.855 -25.548 -21.770 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 154 22.864 -24.791 -21.147 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 154 22.605 -25.144 -22.632 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 155 29.949 -22.548 -23.588 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 155 29.233 -21.915 -23.743 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 155 30.387 -22.631 -24.459 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 156 31.133 -23.553 -21.312 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 156 30.925 -24.509 -21.389 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 156 30.665 -23.145 -22.077 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 157 33.089 -21.338 -20.817 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 157 33.278 -20.905 -21.682 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 157 32.410 -22.008 -21.029 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 158 33.033 -28.822 -22.162 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 158 33.265 -27.907 -22.438 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 158 33.522 -29.383 -22.769 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 159 29.562 -32.961 -7.567 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 159 29.169 -33.203 -6.701 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 159 28.796 -32.947 -8.177 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 160 24.005 -26.972 -9.390 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 160 23.090 -26.852 -9.724 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 160 24.187 -27.930 -9.538 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 161 32.636 -35.497 -6.658 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 161 31.909 -35.428 -7.306 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 161 33.346 -35.958 -7.148 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 162 26.277 -36.007 -11.420 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 162 26.045 -35.891 -10.469 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 162 26.001 -36.907 -11.621 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 163 26.573 -29.878 -4.134 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 163 27.203 -30.012 -4.867 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 163 26.457 -28.903 -4.095 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 164 26.147 -27.096 -4.278 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 164 26.438 -26.164 -4.231 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 164 25.687 -27.156 -5.145 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 165 24.219 -32.918 -14.533 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 165 24.341 -31.955 -14.706 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 165 23.268 -33.016 -14.412 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 166 36.271 -28.380 -11.651 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 166 35.951 -27.462 -11.748 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 166 36.502 -28.645 -12.560 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 167 28.877 -34.993 -10.889 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 167 28.125 -35.498 -11.250 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 167 29.043 -34.295 -11.565 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 168 37.626 -32.468 -5.437 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 168 37.722 -33.063 -6.203 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 168 36.653 -32.367 -5.334 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 169 31.800 -31.472 -8.370 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 169 31.578 -31.470 -9.325 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 169 31.071 -31.979 -7.962 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 170 34.911 -32.220 -4.905 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 170 34.681 -33.157 -4.730 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 170 34.458 -31.723 -4.193 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 171 25.824 -31.821 -10.350 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 171 25.813 -32.341 -11.186 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 171 26.262 -32.419 -9.705 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 172 27.226 -28.881 -7.986 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 172 27.432 -29.340 -8.829 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 172 27.509 -29.520 -7.292 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 173 27.342 -33.654 -9.052 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 173 26.731 -34.363 -8.772 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 173 27.942 -34.095 -9.690 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 174 29.077 -28.262 -2.052 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 174 29.259 -28.973 -1.401 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 174 29.921 -28.144 -2.517 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 175 26.688 -27.016 -1.567 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 175 26.299 -27.126 -2.458 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 175 27.566 -27.456 -1.638 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 176 25.992 -33.471 -12.478 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 176 25.375 -33.403 -13.237 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 176 26.003 -34.427 -12.258 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 177 33.494 -25.944 -17.910 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 177 34.243 -25.406 -18.205 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 177 32.705 -25.390 -18.117 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 178 34.880 -35.402 -2.120 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 178 35.029 -36.354 -2.079 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 178 34.733 -35.222 -3.082 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 179 34.470 -34.907 -4.735 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 179 33.699 -35.131 -5.302 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 179 35.244 -34.998 -5.344 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 180 30.606 -35.182 -8.738 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 180 30.048 -35.141 -9.545 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 180 30.412 -34.340 -8.274 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 181 30.720 -33.667 -2.319 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 181 31.525 -33.520 -1.784 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 181 30.000 -33.335 -1.764 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 182 32.239 -37.210 -9.497 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 182 31.635 -36.485 -9.217 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 182 31.754 -37.667 -10.185 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 183 25.685 -35.886 -8.755 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 183 24.830 -35.915 -8.309 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 183 26.272 -36.448 -8.186 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 184 28.167 -36.019 -5.004 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 184 27.963 -36.289 -4.102 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 184 29.118 -35.735 -4.961 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 185 30.357 -31.621 -10.783 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 185 30.041 -32.071 -11.587 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 185 29.592 -31.095 -10.490 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 186 24.217 -29.672 -9.868 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 186 23.390 -30.047 -10.184 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 186 24.864 -30.407 -9.962 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 187 31.278 -28.704 -15.854 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 187 31.739 -28.826 -16.706 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 187 31.373 -29.551 -15.409 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 188 24.677 -31.083 -2.602 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 188 25.276 -30.535 -3.158 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 188 24.220 -31.644 -3.233 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 189 38.640 -29.996 1.754 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 189 38.336 -29.492 0.963 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 189 37.825 -30.217 2.221 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 190 35.698 -25.717 -14.891 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 190 34.785 -26.088 -14.941 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 190 35.697 -24.993 -15.557 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 191 28.001 -30.196 -10.221 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 191 28.048 -29.720 -11.082 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 191 27.233 -30.798 -10.323 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 192 35.082 -28.955 -15.904 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 192 35.921 -28.901 -15.410 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 192 34.535 -28.243 -15.524 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 193 35.545 -23.440 -16.362 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 193 34.952 -23.275 -17.132 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 193 36.104 -22.635 -16.318 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 194 37.190 -27.968 -14.250 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 194 38.005 -27.652 -13.814 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 194 36.778 -27.153 -14.602 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 195 28.561 -33.628 -15.433 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 195 27.642 -33.830 -15.721 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 195 29.099 -33.829 -16.201 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 196 24.356 -30.257 -15.316 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 196 24.463 -30.545 -16.253 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 196 25.126 -29.677 -15.163 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 197 26.014 -34.214 -16.234 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 197 25.504 -34.963 -16.554 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 197 25.379 -33.703 -15.693 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 198 27.212 -37.378 -7.145 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 198 27.731 -38.185 -7.076 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 198 27.536 -36.821 -6.400 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 199 30.657 -35.141 -4.668 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 199 30.830 -34.587 -3.875 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 199 31.504 -35.147 -5.150 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 200 35.970 -39.011 -9.180 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 200 36.859 -39.095 -9.537 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 200 35.572 -39.875 -9.320 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 201 22.119 -28.827 -14.447 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 201 21.739 -28.713 -15.325 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 201 22.922 -29.363 -14.602 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 202 21.412 -26.644 -10.385 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 202 20.560 -26.809 -9.961 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 202 21.224 -26.738 -11.347 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 203 27.315 -29.245 1.108 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 203 28.177 -29.424 0.678 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 203 26.677 -29.791 0.598 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 204 33.177 -28.713 -17.936 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 204 33.929 -29.061 -17.407 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 204 33.364 -27.753 -18.010 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 205 25.239 -30.991 -17.786 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 205 25.501 -31.753 -18.310 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 205 25.614 -30.224 -18.269 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 206 25.708 -31.121 -0.111 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 206 24.975 -31.428 0.433 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 206 25.317 -31.038 -1.017 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 207 33.304 -26.898 -15.333 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 207 32.468 -27.404 -15.248 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 207 33.256 -26.508 -16.231 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 208 28.705 -33.010 -12.765 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 208 28.839 -33.140 -13.731 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 208 27.731 -33.006 -12.660 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 209 27.472 -32.433 -3.022 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 209 27.101 -31.536 -3.094 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 209 27.689 -32.528 -2.075 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 210 28.100 -32.491 -0.322 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 210 28.287 -32.840 0.583 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 210 27.240 -32.026 -0.222 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 211 27.811 -33.337 -5.525 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 211 27.779 -34.311 -5.448 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 211 27.690 -33.022 -4.597 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 212 33.592 -30.939 -2.880 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 212 33.296 -31.689 -2.320 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 212 32.849 -30.318 -2.859 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 213 19.640 -24.331 -12.456 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 213 20.102 -25.175 -12.613 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 213 20.359 -23.681 -12.345 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 214 21.713 -22.468 -12.099 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 214 21.982 -22.985 -11.298 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 214 21.472 -21.602 -11.750 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 215 37.711 -28.477 -0.339 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 215 37.227 -28.916 -1.072 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 215 37.036 -27.910 0.084 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 216 38.728 -26.396 -12.496 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 216 37.830 -26.043 -12.341 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 216 39.317 -25.614 -12.373 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 217 34.363 -31.058 -7.304 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 217 33.496 -31.306 -7.694 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 217 34.386 -31.531 -6.444 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 218 34.601 -36.808 -8.254 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 218 33.779 -36.909 -8.789 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 218 35.145 -37.585 -8.511 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 219 36.060 -33.153 -0.877 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 219 35.806 -34.019 -1.253 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 219 36.751 -32.819 -1.490 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 220 38.159 -33.722 -8.118 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 220 38.581 -33.002 -8.640 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 220 38.665 -34.505 -8.351 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 221 36.187 -35.100 -6.789 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 221 36.717 -34.542 -7.391 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 221 35.661 -35.673 -7.390 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 222 27.063 -24.405 -4.433 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 222 26.924 -23.807 -5.192 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 222 28.001 -24.672 -4.505 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 223 25.092 -24.370 -9.271 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 223 24.832 -25.313 -9.196 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 223 25.819 -24.374 -9.929 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 224 22.439 -24.047 -10.066 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 224 23.313 -24.143 -9.644 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 224 22.077 -24.954 -10.075 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 225 25.339 -27.166 -6.933 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 225 25.984 -27.825 -7.263 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 225 24.689 -27.088 -7.655 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 226 20.710 -26.868 -13.074 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 226 19.950 -26.857 -13.697 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 226 21.314 -27.548 -13.450 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 227 36.035 -25.639 -12.165 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 227 35.795 -25.573 -13.116 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 227 35.815 -24.758 -11.803 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 228 22.621 -23.477 -19.928 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 228 22.928 -22.568 -20.093 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 228 21.668 -23.367 -19.691 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 229 27.921 -25.216 6.105 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 229 28.444 -25.782 5.486 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 229 27.153 -25.757 6.324 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 230 30.278 -31.502 3.875 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 230 30.376 -30.535 3.868 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 230 29.490 -31.659 4.433 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 231 30.887 -28.762 3.244 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 231 31.706 -28.256 3.320 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 231 31.042 -29.350 2.473 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 232 31.838 -30.382 1.271 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 232 32.146 -31.185 1.718 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 232 32.624 -29.790 1.269 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 233 28.968 -27.012 4.322 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 233 29.657 -27.642 4.027 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 233 28.411 -26.880 3.530 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 234 33.987 -24.632 -1.478 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 234 34.724 -24.504 -0.845 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 234 34.357 -25.223 -2.163 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 235 33.274 -33.264 -1.305 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 235 33.991 -32.944 -0.731 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 235 33.607 -34.122 -1.639 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 236 27.675 -31.880 4.863 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 236 27.276 -31.061 4.480 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 236 27.203 -32.007 5.692 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 237 36.057 -26.804 1.201 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 237 36.875 -26.373 1.527 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 237 35.477 -26.060 0.973 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 238 25.485 -23.135 2.983 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 238 25.720 -22.889 3.904 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 238 26.214 -22.760 2.443 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 239 36.102 -29.988 -2.019 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 239 36.751 -30.648 -2.350 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 239 35.259 -30.245 -2.447 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 240 35.744 -24.005 0.629 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 240 36.643 -24.209 0.953 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 240 35.538 -23.143 1.026 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 241 29.568 -30.164 -0.207 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 241 30.396 -30.258 0.316 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 241 29.216 -31.076 -0.267 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 242 25.063 -25.774 3.622 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 242 25.762 -26.280 3.159 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 242 25.210 -24.850 3.337 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 243 26.707 -29.621 3.753 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 243 26.753 -28.701 4.034 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 243 26.896 -29.588 2.791 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 244 27.184 -26.780 2.236 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 244 27.206 -27.639 1.752 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 244 27.107 -26.110 1.526 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 245 28.509 -32.920 2.328 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 245 29.388 -32.629 2.637 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 245 27.940 -32.814 3.110 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 246 35.465 -30.853 0.507 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 246 35.728 -31.778 0.329 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 246 35.670 -30.386 -0.329 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 247 34.081 -28.775 1.575 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 247 34.724 -28.041 1.537 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 247 34.601 -29.560 1.292 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 248 33.803 -23.766 8.833 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 248 34.649 -23.335 9.078 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 248 33.951 -24.697 9.019 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 249 23.961 -23.955 0.904 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 249 24.392 -23.595 1.715 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 249 23.211 -24.460 1.239 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 250 32.212 -12.707 -44.927 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 250 31.361 -12.259 -45.112 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 250 32.883 -12.126 -45.344 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 251 34.241 -5.292 -44.070 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 251 34.336 -4.802 -44.917 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 251 34.663 -4.698 -43.405 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 252 31.589 -4.972 -43.308 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 252 32.557 -5.132 -43.349 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 252 31.212 -5.674 -43.880 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 253 30.297 -9.471 -43.588 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 253 29.533 -9.552 -42.979 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 253 30.274 -10.299 -44.109 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 254 39.376 -19.787 -40.964 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 254 39.327 -20.751 -41.119 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 254 40.031 -19.472 -41.619 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 255 32.673 -16.713 -42.610 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 255 33.479 -17.209 -42.388 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 255 32.849 -16.358 -43.508 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 256 37.349 -19.516 -38.457 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 256 37.284 -18.779 -39.103 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 256 38.144 -19.998 -38.731 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 257 28.196 -13.227 -41.328 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 257 27.742 -12.401 -41.062 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 257 27.502 -13.764 -41.715 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 258 35.113 -18.150 -41.927 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 258 34.586 -18.891 -41.556 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 258 35.920 -18.127 -41.369 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 259 28.538 -9.415 -46.711 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 259 28.157 -9.291 -47.584 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 259 28.382 -8.562 -46.259 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 260 35.023 -21.105 -38.618 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 260 34.583 -20.785 -39.427 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 260 35.840 -20.573 -38.563 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 261 34.161 -11.056 -46.114 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 261 34.103 -10.576 -46.976 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 261 34.551 -10.408 -45.515 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 262 34.359 -9.254 -48.152 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 262 35.125 -9.366 -48.755 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 262 34.267 -8.284 -48.062 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 263 30.886 -7.149 -44.806 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 263 31.669 -7.312 -45.354 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 263 30.743 -8.007 -44.329 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 264 26.378 -8.154 -44.010 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 264 25.984 -7.427 -43.490 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 264 26.954 -7.702 -44.656 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 265 29.746 -11.496 -45.402 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 265 29.403 -10.767 -45.971 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 265 29.005 -12.105 -45.327 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 266 24.281 -8.171 -40.809 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 266 24.880 -7.522 -41.245 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 266 23.690 -8.457 -41.516 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 267 31.744 -17.798 -35.780 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 267 32.486 -18.436 -35.718 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 267 31.649 -17.634 -36.742 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 268 29.623 -15.408 -37.978 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 268 29.748 -14.542 -38.423 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 268 29.197 -15.185 -37.137 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 269 33.164 -15.281 -44.960 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 269 34.013 -15.094 -45.380 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 269 32.694 -14.421 -44.982 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 270 32.445 -13.972 -42.200 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 270 32.290 -14.938 -42.184 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 270 31.932 -13.661 -42.961 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 271 33.495 -20.095 -40.799 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 271 32.908 -20.046 -40.004 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 271 32.956 -20.544 -41.460 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 272 27.997 -9.313 -42.136 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 272 27.581 -9.901 -41.467 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 272 27.292 -9.173 -42.808 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 273 28.223 -11.511 -37.689 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 273 28.894 -11.964 -38.246 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 273 28.214 -12.035 -36.861 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 274 34.945 -13.324 -42.951 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 274 33.971 -13.365 -42.810 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 274 35.215 -14.273 -43.020 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 275 28.465 -6.657 -41.781 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 275 29.194 -6.479 -42.387 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 275 28.357 -7.637 -41.817 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 276 31.843 -20.161 -38.680 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 276 31.484 -19.267 -38.508 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 276 31.544 -20.693 -37.914 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 277 31.256 -17.473 -38.516 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 277 30.591 -16.764 -38.329 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 277 31.595 -17.249 -39.393 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 278 33.900 -22.106 -36.368 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 278 32.946 -22.201 -36.563 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 278 34.301 -21.865 -37.240 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 279 35.757 -15.847 -43.254 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 279 35.490 -16.697 -42.845 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 279 36.413 -16.097 -43.922 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 280 24.554 -7.192 -38.219 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 280 25.081 -7.879 -37.764 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 280 24.382 -7.569 -39.105 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 281 27.023 -11.020 -40.185 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 281 26.068 -10.928 -39.967 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 281 27.455 -11.129 -39.312 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 282 28.349 -13.239 -35.431 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 282 28.673 -14.166 -35.360 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 282 28.671 -12.813 -34.604 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 283 29.948 -12.987 -39.267 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 283 30.798 -12.591 -39.565 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 283 29.464 -13.171 -40.107 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 284 29.450 -15.710 -35.090 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 284 30.072 -16.329 -35.506 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 284 29.718 -15.702 -34.148 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 285 31.117 -21.780 -36.538 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 285 30.308 -22.300 -36.575 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 285 31.190 -21.515 -35.588 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 286 31.644 -20.979 -34.019 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 286 31.770 -21.337 -33.107 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 286 32.486 -20.525 -34.214 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 287 39.105 -15.566 -47.378 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 287 38.911 -15.980 -48.226 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 287 40.022 -15.855 -47.173 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 288 37.758 -15.122 -45.072 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 288 36.997 -14.507 -45.204 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 288 38.132 -15.230 -45.973 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 289 35.625 -13.428 -45.553 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 289 35.217 -12.684 -46.035 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 289 35.369 -13.272 -44.618 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 290 37.548 -17.816 -40.634 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 290 37.857 -17.019 -41.117 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 290 38.249 -18.486 -40.806 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 291 39.462 -22.122 -36.246 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 291 40.374 -22.088 -35.866 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 291 39.610 -22.152 -37.213 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 292 40.263 -22.349 -38.908 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 292 39.879 -22.536 -39.791 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 292 41.062 -21.809 -39.107 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 293 36.057 -7.467 -44.314 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 293 36.707 -7.124 -43.663 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 293 35.294 -6.861 -44.231 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 294 25.796 -6.287 -42.065 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 294 25.547 -5.403 -41.719 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 294 26.766 -6.336 -41.918 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 295 25.274 -3.882 -40.833 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 295 24.707 -3.142 -41.079 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 295 24.998 -4.101 -39.914 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 296 30.010 -3.655 -41.495 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 296 30.571 -3.596 -40.692 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 296 30.578 -4.130 -42.149 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 297 28.275 -6.862 -45.603 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 297 29.221 -6.899 -45.330 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 297 28.166 -5.970 -45.953 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 298 36.710 -9.367 -49.610 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 298 37.450 -9.009 -49.080 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 298 37.104 -9.564 -50.462 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 299 29.579 -12.123 -28.175 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 299 30.180 -11.659 -27.547 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 299 29.655 -11.617 -28.993 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 300 28.739 -14.680 -25.368 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 300 28.158 -15.439 -25.243 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 300 29.552 -15.063 -25.757 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 301 19.723 -12.413 -24.255 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 301 19.738 -12.122 -23.314 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 301 20.122 -13.313 -24.233 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 302 22.671 -17.280 -27.053 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 302 22.276 -18.146 -26.822 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 302 22.628 -17.244 -28.016 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 303 27.214 -13.173 -27.173 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 303 27.929 -12.701 -27.642 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 303 27.674 -13.625 -26.439 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 304 37.786 -19.396 -23.874 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 304 38.459 -20.107 -23.784 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 304 38.323 -18.560 -23.869 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 305 29.749 -18.293 -25.215 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 305 30.532 -18.889 -25.234 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 305 29.989 -17.570 -25.827 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 306 24.004 -20.762 -26.834 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 306 24.670 -20.157 -26.450 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 306 23.159 -20.285 -26.731 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 307 32.726 -18.758 -30.821 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 307 32.556 -17.949 -30.279 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 307 32.196 -18.611 -31.636 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 308 21.627 -19.580 -25.990 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 308 20.676 -19.818 -26.038 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 308 21.848 -19.688 -25.051 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 309 26.299 -15.768 -30.220 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 309 26.525 -16.301 -29.444 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 309 27.163 -15.424 -30.538 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 310 19.748 -22.174 -23.881 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 310 19.450 -21.671 -24.669 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 310 19.056 -21.997 -23.213 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 311 34.558 -20.180 -29.146 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 311 33.933 -19.626 -29.655 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 311 35.385 -20.168 -29.686 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 312 22.000 -20.806 -23.228 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 312 22.763 -21.263 -23.657 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 312 21.238 -21.405 -23.404 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 313 34.362 -20.176 -26.434 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 313 34.502 -20.263 -27.408 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 313 34.966 -20.841 -26.041 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 314 28.521 -21.903 -27.002 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 314 28.239 -21.407 -26.209 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 314 27.847 -21.700 -27.662 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 315 28.957 -12.138 -33.015 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 315 28.189 -11.569 -32.796 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 315 29.734 -11.622 -32.712 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 316 30.642 -15.803 -32.577 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 316 30.790 -16.772 -32.620 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 316 31.543 -15.429 -32.469 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 317 31.615 -16.058 -23.576 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 317 32.466 -15.910 -24.037 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 317 31.067 -16.505 -24.240 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 318 23.474 -15.976 -29.776 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 318 24.345 -15.815 -30.198 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 318 22.893 -16.208 -30.509 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 319 24.822 -9.736 -28.366 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 319 24.677 -9.893 -29.323 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 319 25.353 -10.489 -28.083 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 320 33.313 -15.080 -32.090 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 320 33.996 -15.789 -32.107 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 320 33.806 -14.266 -32.310 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 321 36.162 -22.878 -31.972 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 321 36.580 -23.742 -31.892 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 321 36.027 -22.765 -32.940 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 322 22.515 -14.008 -22.105 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 322 23.019 -13.227 -22.424 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 322 22.578 -14.644 -22.831 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 323 21.463 -7.616 -25.186 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 323 22.320 -7.798 -25.634 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 323 20.982 -8.468 -25.237 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 324 28.196 -6.589 -17.941 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 324 27.778 -7.436 -18.136 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 324 29.104 -6.835 -17.646 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 325 23.618 -5.511 -27.210 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 325 23.669 -6.466 -26.977 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 325 24.477 -5.318 -27.608 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 326 32.891 -15.362 -19.478 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 326 33.697 -15.858 -19.734 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 326 32.476 -15.917 -18.800 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 327 21.800 -24.194 -23.906 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 327 22.501 -23.620 -24.281 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 327 20.996 -23.644 -23.946 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 328 28.668 -14.600 -31.157 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 328 29.316 -15.120 -31.687 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 328 28.520 -13.798 -31.689 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 329 32.198 -16.287 -29.845 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 329 32.553 -15.705 -30.546 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 329 31.478 -15.764 -29.442 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 330 33.671 -16.185 -25.546 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 330 34.162 -16.897 -25.082 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 330 34.304 -15.871 -26.226 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 331 30.832 -16.670 -20.954 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 331 30.999 -16.663 -21.917 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 331 31.419 -15.976 -20.609 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 332 27.978 -20.404 -24.717 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 332 28.654 -19.693 -24.798 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 332 27.156 -19.989 -25.070 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 333 31.838 -20.008 -25.454 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 333 32.702 -19.918 -25.917 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 333 31.545 -20.919 -25.675 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 334 25.619 -17.041 -27.718 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 334 25.566 -16.253 -27.145 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 334 24.837 -16.966 -28.291 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 335 25.828 -19.042 -25.732 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 335 25.741 -18.418 -26.486 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 335 25.678 -18.483 -24.941 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 336 26.530 -10.850 -32.659 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 336 26.148 -11.435 -33.357 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 336 25.840 -10.824 -31.965 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 337 31.294 -18.375 -33.155 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 337 31.068 -19.317 -33.278 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 337 31.444 -18.047 -34.072 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 338 24.814 -14.521 -27.151 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 338 25.616 -13.965 -27.285 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 338 24.464 -14.654 -28.045 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 339 35.632 -9.321 -18.485 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 339 35.541 -8.447 -18.086 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 339 35.258 -9.930 -17.815 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 340 30.467 -13.546 -23.148 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 340 30.938 -14.402 -23.183 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 340 29.833 -13.597 -23.881 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 341 24.262 -10.500 -30.981 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 341 24.013 -9.859 -31.693 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 341 23.491 -11.074 -30.901 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 342 30.175 -14.766 -28.726 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 342 30.063 -13.836 -28.433 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 342 29.543 -14.855 -29.468 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 343 27.377 -5.923 -24.207 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 343 27.083 -5.101 -24.672 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 343 28.335 -5.896 -24.271 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 344 33.153 -2.064 -20.616 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 344 33.991 -2.336 -20.167 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 344 33.238 -2.425 -21.515 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 345 22.669 -20.628 -20.483 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 345 22.640 -20.669 -21.459 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 345 21.755 -20.437 -20.229 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 346 25.991 -9.333 -37.094 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 346 26.755 -9.928 -37.191 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 346 25.955 -9.145 -36.129 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 347 26.090 -8.723 -34.383 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 347 26.372 -9.433 -33.769 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 347 26.849 -8.102 -34.394 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 348 32.146 -21.428 -31.415 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 348 32.330 -20.567 -30.996 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 348 32.702 -22.063 -30.914 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 349 33.560 -20.039 -23.236 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 349 34.074 -19.255 -23.517 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 349 32.805 -20.062 -23.858 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 350 30.938 -16.095 -26.397 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 350 31.914 -16.101 -26.282 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 350 30.804 -15.712 -27.292 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 351 23.597 -8.957 -33.093 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 351 24.413 -8.740 -33.593 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 351 22.887 -8.786 -33.718 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 352 33.282 -6.630 -17.152 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 352 33.096 -6.796 -18.082 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 352 33.976 -5.924 -17.171 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 353 24.553 -10.416 -39.248 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 353 24.847 -10.050 -38.392 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 353 24.355 -9.628 -39.791 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 354 25.815 -12.343 -34.840 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 354 26.666 -12.765 -35.087 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 354 25.288 -12.387 -35.644 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 355 31.144 -11.830 -21.095 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 355 31.102 -12.462 -21.851 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 355 30.248 -11.486 -21.033 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 356 31.273 -17.814 -18.427 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 356 30.487 -18.194 -17.984 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 356 30.941 -17.542 -19.313 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 357 23.699 -22.331 -24.639 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 357 23.847 -21.972 -25.543 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 357 24.591 -22.297 -24.218 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 358 19.824 -5.793 -26.633 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 358 20.497 -6.400 -26.277 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 358 20.322 -5.212 -27.245 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 359 22.937 -15.287 -25.234 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 359 22.793 -16.125 -25.732 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 359 23.609 -14.814 -25.766 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 360 39.190 -15.648 -21.535 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 360 39.154 -16.225 -22.339 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 360 39.918 -16.025 -21.006 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 361 33.804 -19.588 -35.293 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 361 34.747 -19.332 -35.385 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 361 33.759 -20.471 -35.719 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 362 35.774 -15.667 -27.374 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 362 36.627 -16.066 -27.606 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 362 35.696 -14.915 -27.967 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 363 36.995 -18.403 -21.272 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 363 37.959 -18.391 -21.100 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 363 36.929 -18.631 -22.215 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 364 18.651 -17.962 -19.969 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 364 19.097 -18.509 -20.645 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 364 19.369 -17.752 -19.324 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 365 37.113 -20.442 -19.049 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 365 37.777 -20.921 -19.587 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 365 36.725 -19.805 -19.670 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 366 36.074 -22.654 -34.730 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 366 35.222 -22.479 -35.196 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 366 36.626 -23.075 -35.402 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 367 17.870 -18.247 -24.231 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 367 17.233 -18.535 -23.551 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 367 17.911 -17.277 -24.121 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 368 33.589 -19.263 -19.038 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 368 32.713 -18.873 -18.829 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 368 33.382 -20.009 -19.647 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 369 35.741 -16.580 -34.882 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 369 34.807 -16.690 -34.665 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 369 36.003 -17.446 -35.260 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 370 20.138 -19.328 -21.869 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 370 19.365 -19.900 -22.066 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 370 20.864 -19.717 -22.401 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 371 30.207 -2.189 -21.682 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 371 30.397 -1.998 -20.738 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 371 31.046 -2.569 -22.021 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 372 33.936 -22.913 -18.526 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 372 33.881 -22.301 -19.284 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 372 33.032 -23.285 -18.455 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 373 26.905 -3.681 -25.633 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 373 26.163 -3.240 -26.066 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 373 27.692 -3.371 -26.133 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 374 22.448 -4.263 -24.992 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 374 22.995 -3.453 -25.053 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 374 22.795 -4.835 -25.702 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 375 23.851 -8.110 -26.419 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 375 24.121 -8.675 -27.182 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 375 24.623 -8.152 -25.807 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 376 26.069 -8.209 -24.843 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 376 26.809 -8.822 -24.847 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 376 26.472 -7.348 -24.583 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 377 31.020 -22.536 -26.191 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 377 30.130 -22.397 -26.599 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 377 31.522 -23.000 -26.874 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 378 36.697 -20.432 -30.768 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 378 37.507 -20.038 -31.156 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 378 36.600 -21.288 -31.233 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 379 34.107 -22.753 -30.066 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 379 34.347 -21.978 -29.526 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 379 34.833 -22.828 -30.714 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 380 20.028 -23.190 -19.211 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 380 19.757 -22.846 -18.330 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 380 19.829 -24.148 -19.163 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 381 24.387 -4.514 -38.310 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 381 23.647 -4.295 -37.733 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 381 24.445 -5.504 -38.263 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 382 28.396 -17.037 -9.121 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 382 28.440 -17.399 -8.211 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 382 29.324 -16.785 -9.324 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 383 24.055 -17.124 -7.516 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 383 24.597 -17.232 -6.707 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 383 24.427 -16.330 -7.947 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 384 22.031 -9.093 -7.774 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 384 21.847 -9.508 -6.902 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 384 22.519 -9.774 -8.259 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 385 21.505 -13.117 -10.030 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 385 21.541 -14.084 -9.868 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 385 21.728 -12.725 -9.152 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 386 30.476 -19.231 -4.983 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 386 29.847 -19.977 -5.135 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 386 30.990 -19.180 -5.821 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 387 27.542 -20.204 -11.507 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 387 26.947 -20.676 -10.884 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 387 27.141 -20.368 -12.384 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 388 32.999 -17.470 -9.574 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 388 33.601 -17.849 -8.904 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 388 33.526 -17.485 -10.401 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 389 23.002 -16.902 -11.692 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 389 22.521 -16.574 -10.908 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 389 23.757 -16.288 -11.783 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 390 27.011 -17.372 -11.406 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 390 26.988 -18.325 -11.598 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 390 27.496 -17.312 -10.554 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 391 25.885 -21.675 -9.921 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 391 25.434 -20.885 -9.545 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 391 25.342 -22.426 -9.617 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 392 27.653 -14.368 -9.207 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 392 27.881 -15.320 -9.287 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 392 28.212 -14.054 -8.482 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 393 34.340 -19.144 -7.752 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 393 34.756 -19.809 -8.351 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 393 33.488 -19.539 -7.518 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 394 24.992 -19.264 -8.953 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 394 25.734 -19.413 -8.329 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 394 24.483 -18.530 -8.543 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 395 36.633 -11.948 -9.135 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 395 35.937 -12.530 -8.773 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 395 36.230 -11.571 -9.949 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 396 37.268 -9.815 -13.219 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 396 36.756 -10.100 -12.436 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 396 38.167 -10.176 -13.061 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 397 30.385 -14.737 -12.057 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 397 30.206 -13.964 -12.638 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 397 30.200 -15.504 -12.629 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 398 27.725 -9.540 -6.474 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 398 28.020 -8.612 -6.557 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 398 28.166 -9.853 -5.656 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 399 24.892 -15.004 -9.106 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 399 24.944 -15.176 -10.068 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 399 25.775 -14.652 -8.882 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 400 25.125 -10.231 -6.706 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 400 25.034 -9.845 -7.590 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 400 26.045 -10.006 -6.444 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 401 35.495 -14.089 -16.417 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 401 35.929 -14.215 -15.565 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 401 35.160 -14.982 -16.650 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 402 21.687 -10.583 -5.444 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 402 22.485 -11.110 -5.206 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 402 21.202 -10.502 -4.615 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 403 32.583 -13.090 -11.761 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 403 31.894 -13.781 -11.733 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 403 33.069 -13.204 -10.936 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 404 37.622 -23.214 -13.670 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 404 37.043 -23.780 -14.201 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 404 38.426 -23.113 -14.219 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 405 33.253 -2.278 -17.373 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 405 32.606 -2.791 -17.870 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 405 34.079 -2.357 -17.902 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 406 29.070 -7.319 -5.525 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 406 29.423 -6.610 -4.984 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 406 29.165 -8.117 -4.968 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 407 27.662 -6.702 -13.380 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 407 27.115 -7.158 -12.698 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 407 28.384 -7.333 -13.567 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 408 23.403 -5.289 -11.560 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 408 22.890 -5.209 -10.732 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 408 24.185 -4.736 -11.408 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 409 30.554 -7.764 -17.021 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 409 31.409 -7.353 -16.790 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 409 30.799 -8.499 -17.629 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 410 29.667 -8.470 -14.399 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 410 29.798 -8.204 -15.331 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 410 30.581 -8.574 -14.052 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 411 27.206 -23.924 -10.978 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 411 27.387 -23.934 -11.946 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 411 26.991 -22.991 -10.784 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 412 34.828 -11.675 -17.362 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 412 34.055 -11.920 -17.922 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 412 35.092 -12.525 -16.938 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 413 30.031 -15.771 -14.647 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 413 30.105 -14.791 -14.653 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 413 30.850 -16.076 -15.101 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 414 30.807 -15.887 -9.585 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 414 30.688 -15.440 -10.453 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 414 31.659 -16.377 -9.681 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 415 20.662 -18.890 -15.861 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 415 19.731 -19.217 -15.899 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 415 21.176 -19.674 -15.634 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 416 20.760 -17.499 -18.370 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 416 21.235 -16.648 -18.304 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 416 20.801 -17.871 -17.467 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 417 28.844 -17.453 -6.461 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 417 29.515 -17.993 -6.003 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 417 29.271 -16.569 -6.556 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 418 29.241 -20.065 -9.319 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 418 29.660 -20.899 -9.562 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 418 28.713 -19.824 -10.113 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 419 25.282 -15.385 -11.802 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 419 25.926 -16.137 -11.725 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 419 25.849 -14.585 -11.820 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 420 25.953 -13.038 -3.404 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 420 26.006 -13.755 -2.728 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 420 26.265 -12.252 -2.940 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 421 31.266 -18.901 -7.655 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 421 30.570 -19.297 -8.218 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 421 31.745 -18.302 -8.256 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 422 28.832 -21.330 -5.496 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 422 29.456 -21.989 -5.113 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 422 28.073 -21.871 -5.796 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 423 26.686 -13.072 -11.401 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 423 27.382 -12.623 -11.898 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 423 27.149 -13.434 -10.609 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 424 30.106 -15.073 -7.069 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 424 30.389 -15.328 -7.974 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 424 30.885 -14.594 -6.704 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 425 32.637 -18.180 -13.329 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 425 33.363 -17.757 -12.837 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 425 32.505 -17.607 -14.107 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 426 22.285 -12.239 -7.601 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 426 23.005 -12.561 -7.029 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 426 21.734 -11.701 -7.004 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 427 30.074 -13.021 -14.160 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 427 30.926 -12.548 -14.290 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 427 29.396 -12.311 -14.221 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 428 27.445 -6.095 -0.264 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 428 27.092 -6.175 0.628 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 428 27.208 -5.202 -0.536 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 429 41.570 -16.396 -13.068 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 429 41.550 -15.424 -13.094 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 429 41.433 -16.658 -13.994 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 430 39.706 -10.867 -12.341 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 430 39.759 -10.660 -11.393 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 430 40.636 -10.897 -12.627 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 431 34.877 -14.034 -8.200 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 431 35.061 -14.556 -9.001 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 431 35.403 -14.483 -7.504 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 432 25.919 -9.449 -9.291 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 432 25.450 -10.257 -9.609 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 432 26.703 -9.790 -8.837 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 433 24.629 -11.687 -10.107 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 433 23.820 -12.206 -10.015 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 433 25.232 -12.267 -10.610 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 434 25.963 -7.704 -11.478 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 434 25.106 -7.266 -11.403 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 434 26.012 -8.273 -10.680 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 435 32.504 -13.875 -6.423 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 435 33.248 -13.994 -7.044 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 435 32.800 -13.172 -5.834 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 436 35.165 -11.251 -14.424 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 436 35.167 -11.193 -15.393 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 436 35.876 -10.637 -14.148 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 437 39.381 -12.477 -9.345 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 437 38.443 -12.222 -9.209 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 437 39.853 -11.623 -9.424 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 438 33.322 -20.570 -14.616 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 438 33.793 -20.126 -15.346 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 438 32.969 -19.834 -14.077 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 439 32.478 -11.698 -14.099 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 439 33.416 -11.642 -14.381 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 439 32.519 -12.155 -13.227 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 440 27.447 -16.508 -15.045 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 440 28.358 -16.169 -14.915 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 440 27.549 -17.218 -15.695 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 441 31.379 -20.226 -2.447 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 441 31.280 -19.933 -3.372 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 441 30.470 -20.225 -2.097 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 442 28.343 -10.870 -14.154 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 442 27.447 -10.532 -14.208 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 442 28.905 -10.064 -14.210 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 443 36.401 -15.887 -6.816 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 443 37.051 -15.481 -6.199 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 443 36.148 -16.725 -6.375 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 444 35.388 -10.937 -11.461 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 444 34.673 -10.273 -11.311 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 444 35.127 -11.380 -12.287 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 445 25.734 -20.849 -13.531 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 445 25.113 -21.603 -13.649 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 445 25.249 -20.236 -12.928 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 446 31.394 -9.859 -18.705 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 446 31.400 -10.246 -19.595 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 446 31.757 -10.556 -18.143 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 447 30.903 -11.201 -2.601 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 447 30.666 -11.891 -1.954 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 447 31.710 -10.806 -2.240 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 448 35.355 -4.972 -17.561 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 448 35.441 -4.164 -18.113 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 448 36.207 -5.028 -17.081 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 449 28.252 -13.639 0.615 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 449 27.394 -13.965 0.317 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 449 28.112 -13.426 1.564 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 450 32.961 -12.582 -19.150 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 450 32.356 -12.285 -19.865 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 450 32.922 -13.561 -19.200 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 451 23.941 -12.148 -5.211 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 451 24.464 -11.472 -5.705 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 451 24.587 -12.544 -4.591 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 452 34.714 -16.635 -17.031 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 452 34.943 -16.690 -17.985 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 452 34.857 -17.551 -16.699 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 453 26.177 -17.187 -5.727 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 453 26.424 -16.250 -5.548 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 453 26.984 -17.570 -6.124 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 454 27.202 -19.993 -7.445 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 454 27.689 -19.948 -6.605 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 454 27.905 -19.962 -8.129 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 455 27.222 -14.744 -5.169 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 455 27.973 -14.241 -5.506 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 455 26.722 -14.095 -4.629 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 456 24.556 -19.293 -1.968 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 456 23.610 -19.121 -1.935 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 456 24.663 -20.132 -1.472 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 457 26.740 -22.671 -6.744 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 457 26.683 -21.769 -7.124 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 457 26.091 -23.183 -7.251 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 458 24.594 -21.649 -0.547 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 458 24.181 -22.403 -0.082 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 458 25.238 -22.074 -1.160 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 459 19.228 -4.876 -13.465 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 459 19.166 -5.809 -13.162 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 459 18.928 -4.905 -14.400 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 460 20.262 -8.192 -9.843 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 460 20.244 -9.080 -10.278 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 460 20.843 -8.325 -9.068 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 461 37.258 -8.596 -6.634 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 461 36.349 -8.435 -6.357 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 461 37.498 -7.791 -7.154 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 462 36.539 -8.167 -2.898 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 462 37.166 -7.885 -2.186 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 462 35.849 -8.672 -2.421 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 463 35.759 -11.649 -1.554 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 463 35.091 -12.182 -1.109 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 463 35.326 -10.777 -1.676 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 464 42.528 -11.261 -12.110 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 464 42.747 -12.194 -12.247 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 464 42.987 -10.800 -12.845 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 465 38.754 -14.889 -10.596 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 465 38.948 -14.131 -10.006 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 465 39.026 -14.566 -11.489 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 466 37.683 -11.304 -6.610 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 466 37.338 -11.569 -7.483 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 466 37.575 -10.329 -6.599 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 467 38.096 -15.013 -4.872 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 467 38.526 -14.141 -4.777 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 467 37.508 -15.074 -4.087 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 468 39.779 -13.663 -12.798 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 468 39.600 -12.713 -12.676 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 468 40.456 -13.690 -13.520 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 469 32.227 -16.803 -15.877 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 469 33.115 -16.563 -16.216 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 469 31.816 -17.291 -16.618 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 470 36.332 -15.974 -9.628 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 470 37.183 -15.587 -9.933 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 470 36.446 -16.069 -8.657 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 471 20.490 -10.633 -11.002 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 471 20.123 -11.040 -11.798 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 471 20.896 -11.378 -10.522 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 472 34.881 -19.338 -16.597 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 472 35.611 -19.984 -16.489 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 472 34.538 -19.512 -17.502 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 473 34.930 -17.358 -11.560 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 473 35.581 -17.986 -11.896 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 473 35.431 -16.822 -10.901 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 474 35.851 -18.263 -5.501 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 474 35.286 -18.617 -4.783 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 474 35.442 -18.616 -6.320 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 475 35.766 -22.955 -11.511 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 475 36.633 -22.964 -11.956 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 475 35.121 -22.850 -12.253 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 476 24.419 -19.275 -11.696 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 476 24.618 -19.268 -10.738 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 476 23.826 -18.504 -11.820 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 477 22.238 -15.714 -9.267 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 477 22.124 -16.381 -8.570 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 477 23.125 -15.336 -9.090 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 478 37.053 -21.115 -16.395 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 478 37.160 -20.886 -17.351 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 478 37.930 -21.471 -16.135 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 479 18.220 -24.022 -14.737 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 479 18.620 -23.996 -13.837 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 479 18.314 -24.956 -15.008 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 480 32.306 -8.962 -13.893 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 480 32.333 -9.931 -14.053 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 480 33.127 -8.626 -14.321 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 481 22.962 -6.540 -7.418 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 481 22.632 -7.451 -7.575 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 481 23.709 -6.660 -6.822 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 482 35.484 -21.005 -9.466 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 482 36.420 -20.797 -9.561 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 482 35.339 -21.735 -10.103 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 483 23.810 -22.799 -13.849 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 483 23.369 -23.375 -14.482 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 483 23.127 -22.632 -13.163 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 484 19.338 -22.342 -16.707 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 484 18.919 -21.483 -16.507 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 484 18.999 -22.941 -16.013 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 485 34.422 -22.922 -13.852 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 485 33.900 -22.105 -14.021 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 485 34.721 -23.196 -14.737 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 486 37.457 -7.133 -13.930 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 486 37.278 -8.084 -13.771 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 486 38.210 -6.935 -13.336 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 487 26.452 -25.010 0.195 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 487 25.495 -24.797 0.251 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 487 26.493 -25.783 -0.428 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 488 32.792 -7.170 -2.116 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 488 33.392 -6.876 -2.840 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 488 32.271 -6.392 -1.912 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 489 27.935 -13.494 3.351 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 489 27.636 -13.063 4.184 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 489 27.645 -14.427 3.453 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 490 29.623 -20.876 6.441 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 490 30.565 -20.864 6.663 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 490 29.283 -21.665 6.907 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 491 31.058 -15.299 4.809 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 491 30.732 -14.418 4.542 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 491 31.988 -15.305 4.513 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 492 32.786 -18.368 5.717 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 492 32.856 -17.609 6.315 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 492 32.927 -19.146 6.301 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 493 24.457 -24.983 6.121 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 493 23.640 -25.391 6.421 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 493 24.608 -25.372 5.228 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 494 30.984 -17.416 1.275 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 494 30.047 -17.359 0.999 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 494 30.937 -17.714 2.215 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 495 33.588 -15.360 3.695 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 495 34.129 -15.043 4.454 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 495 33.905 -16.274 3.546 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 496 36.841 -21.024 2.636 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 496 35.978 -21.021 2.178 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 496 36.608 -20.912 3.584 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 497 26.892 -16.042 3.489 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 497 25.988 -16.418 3.552 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 497 27.480 -16.828 3.550 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 498 35.898 -11.373 1.924 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 498 36.816 -11.213 1.668 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 498 35.444 -10.553 1.709 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 499 24.710 -19.535 1.340 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 499 24.396 -20.288 0.807 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 499 25.679 -19.576 1.254 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 500 30.805 -17.851 3.933 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 500 31.429 -18.300 4.544 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 500 30.747 -16.933 4.289 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 501 34.028 -17.475 8.361 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 501 33.864 -17.389 9.307 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 501 33.702 -18.380 8.143 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 502 28.911 -19.938 -1.251 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 502 28.247 -19.651 -0.595 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 502 29.147 -20.845 -0.960 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 503 27.540 -20.623 4.713 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 503 26.951 -21.324 5.049 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 503 28.326 -20.667 5.305 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 504 27.462 -19.810 1.162 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 504 27.720 -19.507 2.064 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 504 27.393 -20.788 1.248 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 505 26.357 -17.626 -3.008 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 505 25.714 -18.276 -2.619 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 505 26.114 -17.592 -3.959 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 506 28.310 -17.267 0.367 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 506 27.610 -16.612 0.566 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 506 27.991 -18.090 0.796 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 507 33.830 -17.392 1.105 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 507 34.111 -17.707 1.995 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 507 32.855 -17.456 1.127 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 508 30.663 -12.981 3.326 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 508 29.685 -12.947 3.293 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 508 30.910 -13.513 2.543 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 509 32.914 -11.488 2.464 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 509 33.728 -11.912 2.773 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 509 32.205 -11.908 2.992 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 510 27.211 -12.787 5.890 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 510 27.671 -13.306 6.557 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 510 26.645 -12.195 6.395 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 511 32.675 -11.088 -0.223 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 511 32.823 -11.051 0.751 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 511 31.929 -11.714 -0.322 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 512 38.453 -7.427 -1.166 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 512 38.924 -6.571 -1.264 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 512 39.088 -7.996 -0.695 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 513 31.800 -14.746 1.532 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 513 31.492 -15.669 1.430 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 513 32.545 -14.813 2.167 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 514 29.048 -9.670 -4.003 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 514 28.821 -9.089 -3.242 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 514 29.726 -10.282 -3.639 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 515 28.757 -7.988 -1.830 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 515 28.226 -7.327 -1.336 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 515 29.433 -8.263 -1.203 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 516 28.213 -18.419 3.367 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 516 29.146 -18.260 3.635 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 516 27.915 -19.154 3.960 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 517 31.779 -22.236 7.798 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 517 30.945 -22.744 7.783 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 517 32.439 -22.867 8.167 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 518 27.438 -22.590 1.142 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 518 28.331 -22.508 0.753 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 518 27.093 -23.431 0.770 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 519 24.472 -17.351 2.944 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 519 23.780 -17.522 3.590 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 519 24.500 -18.173 2.398 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 520 34.321 -9.347 -1.543 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 520 33.722 -9.900 -0.992 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 520 33.783 -8.548 -1.747 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 521 26.285 -15.179 -1.710 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 521 26.057 -15.439 -0.794 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 521 26.193 -16.008 -2.225 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 522 30.722 -13.017 -0.410 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 522 31.225 -13.621 0.177 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 522 29.786 -13.147 -0.135 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 523 25.993 -15.842 0.953 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 523 26.409 -15.671 1.827 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 523 25.172 -16.317 1.177 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 524 38.687 -15.760 5.216 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 524 38.398 -15.349 6.038 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 524 39.661 -15.813 5.304 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 525 34.831 -15.095 6.135 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 525 34.219 -14.952 6.864 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 525 35.604 -15.527 6.553 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 526 34.497 -17.978 3.636 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 526 35.387 -18.019 4.048 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 526 33.892 -18.296 4.341 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 527 36.131 -20.516 8.023 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 527 36.873 -19.940 8.304 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 527 36.217 -21.312 8.589 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 528 29.095 -23.272 7.688 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 528 28.796 -23.991 7.087 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 528 28.486 -23.319 8.432 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 529 36.302 -22.807 9.597 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 529 37.150 -22.876 9.086 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 529 36.570 -22.930 10.514 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 530 38.632 -22.571 8.300 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 530 38.809 -22.225 7.402 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 530 39.528 -22.671 8.698 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 531 26.293 -22.972 5.592 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 531 27.047 -23.582 5.711 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 531 25.526 -23.473 5.945 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 532 33.413 -20.048 7.712 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 532 34.334 -20.380 7.777 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 532 32.856 -20.855 7.826 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 533 26.269 -23.244 -2.049 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 533 26.488 -23.954 -1.428 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 533 26.475 -23.624 -2.930 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 534 30.606 -1.192 -42.741 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 534 29.814 -0.844 -43.211 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 534 30.287 -2.006 -42.311 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 535 34.341 -3.474 -46.154 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 535 34.971 -2.763 -46.389 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 535 33.647 -3.014 -45.629 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 536 25.574 -0.222 -45.071 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 536 25.250 0.674 -45.186 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 536 24.847 -0.780 -45.361 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 537 35.903 5.687 -41.540 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 537 34.955 5.449 -41.406 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 537 35.879 6.612 -41.789 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 538 36.255 1.367 -41.075 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 538 36.337 2.253 -40.660 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 538 37.080 1.273 -41.603 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 539 32.538 -0.080 -41.091 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 539 32.301 -0.434 -40.202 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 539 31.801 -0.376 -41.668 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 540 30.961 -3.884 -38.863 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 540 31.493 -4.353 -38.185 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 540 30.076 -4.289 -38.789 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 541 32.034 2.101 -37.462 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 541 32.839 1.989 -38.010 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 541 32.295 2.735 -36.790 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 542 27.405 -3.017 -42.419 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 542 26.744 -3.394 -41.810 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 542 28.261 -3.312 -42.059 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 543 32.926 2.481 -41.932 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 543 32.874 1.605 -41.493 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 543 32.798 2.284 -42.863 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 544 38.768 4.719 -38.566 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 544 39.619 4.350 -38.254 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 544 38.900 4.823 -39.538 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 545 31.824 -1.263 -38.750 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 545 32.346 -1.223 -37.917 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 545 31.572 -2.206 -38.829 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 546 29.981 0.198 -37.210 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 546 30.537 1.008 -37.234 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 546 30.433 -0.411 -37.825 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 547 36.402 3.726 -39.702 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 547 37.170 4.030 -39.176 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 547 36.265 4.446 -40.362 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 548 35.675 1.450 -36.184 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 548 35.037 0.941 -35.652 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 548 35.226 1.571 -37.048 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 549 33.389 4.949 -40.943 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 549 33.246 4.048 -41.323 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 549 32.755 5.003 -40.226 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 550 28.484 -4.970 -39.508 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 550 28.804 -4.389 -40.225 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 550 28.312 -5.819 -39.957 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 551 29.193 -0.147 -34.529 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 551 29.583 -0.225 -35.426 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 551 28.677 0.684 -34.571 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 552 32.922 -1.287 -36.194 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 552 32.463 -1.897 -35.612 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 552 33.277 -0.603 -35.590 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 553 26.869 -3.682 -37.477 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 553 25.979 -3.988 -37.759 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 553 27.478 -4.113 -38.108 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 554 26.636 -3.822 -34.589 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 554 26.745 -3.702 -35.552 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 554 26.791 -2.928 -34.212 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 555 37.042 5.673 -31.663 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 555 37.195 4.732 -31.909 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 555 37.296 6.175 -32.471 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 556 34.527 1.956 -38.683 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 556 35.067 2.737 -38.941 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 556 34.634 1.343 -39.428 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 557 32.496 -2.491 -44.372 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 557 32.130 -3.318 -44.017 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 557 32.023 -1.793 -43.883 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 558 35.003 -0.834 -42.021 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 558 34.069 -0.674 -41.763 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 558 35.481 -0.043 -41.679 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 559 35.434 -3.521 -42.437 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 559 35.648 -3.900 -41.554 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 559 35.215 -2.582 -42.248 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 560 37.551 -4.230 -46.867 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 560 37.324 -5.181 -46.967 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 560 37.501 -4.076 -45.894 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 561 28.114 -0.895 -43.974 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 561 27.325 -0.550 -44.434 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 561 27.779 -1.672 -43.479 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 562 26.659 -1.006 -36.863 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 562 26.760 -1.940 -37.148 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 562 27.504 -0.595 -37.097 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 563 28.976 4.991 -29.273 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 563 29.189 4.045 -29.291 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 563 28.945 5.245 -30.202 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 564 28.017 1.904 -27.148 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 564 27.162 1.539 -27.468 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 564 28.491 2.150 -27.967 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 565 35.212 4.972 -27.737 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 565 35.899 5.021 -27.053 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 565 35.083 4.009 -27.879 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 566 21.182 -1.001 -30.565 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 566 22.055 -1.440 -30.701 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 566 20.542 -1.661 -30.851 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 567 25.225 -1.439 -27.872 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 567 25.343 -0.466 -27.954 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 567 25.414 -1.774 -28.769 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 568 25.604 1.258 -28.247 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 568 24.720 1.661 -28.063 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 568 25.869 1.654 -29.107 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 569 34.621 4.907 -30.498 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 569 34.700 5.092 -29.542 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 569 35.445 5.272 -30.880 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 570 17.623 6.346 -28.681 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 570 16.805 6.712 -29.083 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 570 17.965 7.078 -28.141 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 571 37.358 9.191 -24.235 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 571 37.386 8.927 -25.175 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 571 37.743 8.431 -23.758 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 572 23.837 -1.935 -25.516 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 572 24.321 -1.729 -26.350 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 572 24.344 -1.478 -24.826 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 573 34.497 7.516 -26.816 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 573 35.339 7.983 -26.994 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 573 34.596 6.658 -27.283 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 574 29.341 2.149 -29.601 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 574 29.783 2.584 -30.363 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 574 29.722 1.250 -29.596 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 575 30.540 2.941 -31.940 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 575 30.872 2.029 -31.774 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 575 31.341 3.438 -32.229 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 576 34.732 1.995 -31.923 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 576 33.868 2.445 -31.941 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 576 34.521 1.070 -31.644 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 577 33.081 10.343 -24.356 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 577 32.646 9.813 -25.063 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 577 32.943 11.254 -24.627 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 578 32.982 4.048 -32.537 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 578 33.580 4.284 -33.280 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 578 33.424 4.434 -31.747 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 579 19.938 0.977 -34.080 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 579 19.987 0.245 -34.703 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 579 19.330 1.602 -34.493 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 580 23.206 8.093 -22.130 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 580 22.377 8.209 -21.622 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 580 22.957 8.333 -23.053 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 581 23.247 2.516 -27.971 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 581 22.439 2.753 -27.466 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 581 23.084 2.893 -28.861 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 582 36.387 8.609 -20.456 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 582 36.570 9.371 -19.884 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 582 35.744 8.950 -21.120 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 583 29.515 2.855 -20.813 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 583 29.482 3.803 -20.981 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 583 30.469 2.673 -20.676 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 584 21.487 10.193 -26.817 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 584 21.198 11.103 -26.672 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 584 21.708 10.159 -27.755 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 585 35.103 4.879 -34.234 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 585 35.556 4.928 -35.091 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 585 35.595 5.494 -33.672 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 586 22.304 3.688 -30.250 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 586 21.508 4.179 -29.977 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 586 21.957 2.970 -30.819 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 587 31.234 0.482 -30.980 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 587 30.921 -0.354 -31.380 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 587 32.111 0.256 -30.600 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 588 25.320 0.203 -34.859 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 588 24.398 -0.068 -34.808 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 588 25.670 -0.269 -35.655 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 589 19.956 -0.016 -28.227 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 589 20.351 -0.615 -27.549 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 589 20.458 -0.223 -29.043 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 590 29.054 -2.911 -27.110 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 590 28.772 -3.161 -28.009 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 590 29.415 -2.008 -27.222 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 591 20.950 1.584 -31.539 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 591 20.685 1.429 -32.470 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 591 21.186 0.693 -31.205 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 592 28.649 -2.106 -29.796 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 592 29.085 -2.022 -30.669 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 592 29.061 -1.402 -29.255 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 593 29.832 -0.381 -27.918 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 593 30.806 -0.360 -27.750 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 593 29.489 0.384 -27.426 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 594 23.333 -2.604 -31.171 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 594 24.227 -2.357 -30.855 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 594 23.509 -3.202 -31.931 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 595 27.878 3.238 -32.633 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 595 28.848 3.182 -32.514 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 595 27.721 2.844 -33.514 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 596 27.787 0.850 -21.392 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 596 28.060 0.329 -22.181 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 596 28.467 1.558 -21.331 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 597 34.073 0.321 -34.203 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 597 34.169 1.212 -33.831 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 597 34.268 -0.273 -33.439 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 598 35.010 9.206 -22.789 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 598 35.795 9.436 -23.329 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 598 34.266 9.680 -23.233 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 599 38.290 7.599 -22.110 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 599 39.093 8.062 -21.790 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 599 37.570 7.961 -21.545 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 600 25.151 4.771 -29.382 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 600 24.270 4.611 -29.758 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 600 25.702 4.051 -29.751 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 601 26.714 2.680 -30.285 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 601 26.829 2.954 -31.224 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 601 27.609 2.407 -30.011 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 602 25.767 7.024 -21.846 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 602 24.791 7.090 -21.778 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 602 26.066 7.949 -21.809 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 603 26.986 5.801 -27.587 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 603 27.798 5.666 -28.116 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 603 26.259 5.618 -28.217 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 604 32.154 8.888 -26.447 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 604 32.994 8.411 -26.626 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 604 31.530 8.511 -27.073 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 605 37.147 3.046 -32.327 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 605 37.701 2.324 -31.998 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 605 36.221 2.726 -32.179 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 606 20.912 3.396 -27.006 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 606 20.220 2.828 -26.607 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 606 20.458 3.836 -27.755 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 607 29.905 -1.640 -32.293 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 607 29.796 -1.042 -33.062 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 607 29.788 -2.543 -32.675 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 608 26.008 -2.027 -30.624 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 608 26.175 -1.842 -31.570 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 608 26.906 -2.144 -30.246 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 609 19.651 -4.289 -24.391 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 609 19.468 -4.887 -25.150 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 609 20.622 -4.178 -24.411 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 610 19.746 8.779 -25.225 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 610 20.403 9.156 -25.844 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 610 18.947 8.641 -25.777 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 611 23.109 10.118 -19.477 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 611 22.373 10.559 -19.953 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 611 23.897 10.626 -19.742 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 612 23.753 13.987 -19.225 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 612 22.912 14.287 -19.590 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 612 23.935 14.603 -18.508 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 613 28.827 5.426 -16.055 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 613 28.946 4.499 -15.762 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 613 29.728 5.789 -16.048 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 614 34.795 6.765 -24.145 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 614 34.449 7.060 -25.012 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 614 34.747 7.566 -23.583 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 615 27.421 1.943 -34.975 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 615 26.592 1.426 -34.851 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 615 27.281 2.420 -35.801 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 616 26.918 -1.420 -33.285 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 616 26.333 -0.765 -33.718 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 616 27.817 -1.083 -33.455 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 617 37.702 2.746 -35.016 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 617 36.987 2.258 -35.494 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 617 37.281 3.027 -34.179 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 618 33.868 4.941 -22.184 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 618 34.744 5.036 -21.780 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 618 33.923 5.487 -22.990 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 619 17.416 8.520 -26.662 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 619 17.127 9.453 -26.748 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 619 16.597 8.038 -26.440 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 620 41.163 10.849 -25.656 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 620 40.754 10.904 -24.768 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 620 42.097 11.082 -25.505 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 621 40.106 7.961 -25.643 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 621 40.935 8.179 -26.123 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 621 40.100 8.581 -24.897 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 622 35.883 6.130 -19.371 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 622 36.260 5.662 -20.144 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 622 35.982 7.081 -19.600 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 623 34.892 2.358 -28.866 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 623 34.803 2.835 -29.705 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 623 34.516 1.472 -29.054 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 624 37.269 -0.031 -31.158 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 624 37.044 0.473 -30.366 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 624 36.393 -0.331 -31.506 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 625 36.796 5.297 -21.852 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 625 37.373 6.086 -21.964 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 625 36.882 4.823 -22.685 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 626 37.009 5.964 -25.629 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 626 36.264 6.122 -25.009 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 626 37.134 6.829 -26.075 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 627 21.229 -1.790 -26.612 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 627 21.162 -2.698 -26.970 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 627 22.115 -1.760 -26.206 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 628 23.036 8.299 -17.451 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 628 23.108 8.823 -18.288 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 628 22.913 8.968 -16.768 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 629 25.381 9.795 -22.194 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 629 25.305 10.572 -21.605 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 629 24.531 9.321 -22.072 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 630 16.158 11.782 -21.648 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 630 16.608 12.598 -21.958 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 630 15.357 12.109 -21.191 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 631 21.218 11.604 -20.856 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 631 20.937 11.390 -21.763 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 631 20.419 11.925 -20.431 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 632 19.855 10.237 -22.950 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 632 20.292 9.637 -22.305 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 632 19.855 9.719 -23.792 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 633 22.834 8.772 -24.737 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 633 22.498 9.300 -25.482 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 633 23.797 8.694 -24.910 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 634 25.560 8.651 -24.726 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 634 25.635 9.113 -23.862 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 634 26.328 8.952 -25.223 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 635 21.434 -4.159 -28.128 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 635 22.223 -4.674 -27.842 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 635 21.712 -3.740 -28.950 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 636 24.259 -4.235 -33.225 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 636 25.123 -4.041 -33.649 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 636 24.134 -5.176 -33.373 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 637 28.923 -0.545 -23.408 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 637 29.466 -1.057 -22.770 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 637 29.504 -0.414 -24.165 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 638 21.426 -2.522 -10.659 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 638 21.583 -3.331 -10.129 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 638 20.471 -2.562 -10.870 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 639 22.308 3.832 -10.297 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 639 22.835 3.020 -10.481 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 639 22.671 4.167 -9.472 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 640 37.468 -4.177 -6.077 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 640 38.202 -4.427 -5.473 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 640 37.300 -3.253 -5.875 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 641 24.049 -2.990 -9.756 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 641 23.245 -2.557 -10.096 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 641 23.726 -3.569 -9.051 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 642 32.449 -1.443 -14.932 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 642 32.871 -1.684 -15.797 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 642 31.591 -1.882 -14.960 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 643 23.738 1.566 -10.850 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 643 23.346 0.723 -11.155 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 643 24.673 1.343 -10.667 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 644 39.590 2.577 -7.793 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 644 39.920 3.485 -7.647 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 644 39.138 2.354 -6.969 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 645 16.362 6.332 -16.756 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 645 15.386 6.241 -16.742 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 645 16.664 5.766 -16.008 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 646 29.932 2.886 -15.522 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 646 30.546 3.541 -15.927 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 646 30.533 2.227 -15.113 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 647 34.600 1.571 -13.415 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 647 35.562 1.656 -13.252 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 647 34.388 0.670 -13.102 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 648 26.528 2.095 -12.923 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 648 26.570 1.605 -12.069 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 648 26.632 3.020 -12.669 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 649 33.778 4.556 -18.423 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 649 34.370 3.940 -17.973 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 649 34.380 5.249 -18.778 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 650 37.528 -5.172 -15.893 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 650 37.421 -5.853 -15.188 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 650 38.470 -5.186 -16.091 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 651 21.651 1.828 -13.450 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 651 21.852 1.276 -12.669 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 651 21.292 2.660 -13.070 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 652 41.085 7.641 -16.641 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 652 41.892 7.179 -16.389 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 652 41.345 8.161 -17.433 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 653 32.336 3.266 -20.507 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 653 32.745 3.779 -21.238 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 653 32.671 3.702 -19.697 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 654 26.372 0.759 -10.547 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 654 26.839 0.793 -9.705 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 654 26.335 -0.211 -10.763 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 655 28.608 0.291 -17.650 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 655 28.273 0.639 -16.796 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 655 29.572 0.488 -17.627 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 656 21.882 -4.853 -9.243 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 656 22.298 -5.429 -8.553 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 656 20.937 -5.118 -9.234 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 657 26.232 -1.886 -10.983 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 657 25.511 -2.309 -10.468 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 657 26.537 -2.594 -11.590 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 658 22.562 -0.533 -12.173 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 658 22.121 -1.172 -11.568 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 658 22.798 -1.072 -12.953 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 659 23.263 -1.814 -17.379 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 659 24.128 -1.386 -17.217 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 659 22.937 -2.024 -16.486 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 660 23.017 -1.997 -14.547 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 660 23.975 -2.136 -14.505 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 660 22.635 -2.869 -14.266 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 661 24.442 1.021 -14.322 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 661 23.646 0.953 -13.765 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 661 25.151 1.299 -13.699 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 662 30.913 -1.657 -19.077 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 662 31.052 -0.923 -18.444 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 662 31.784 -1.753 -19.525 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 663 31.311 0.627 -17.502 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 663 31.599 0.973 -16.632 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 663 32.090 0.774 -18.087 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 664 31.852 4.632 -16.353 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 664 32.384 4.775 -17.162 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 664 32.525 4.449 -15.658 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 665 38.561 8.452 -16.053 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 665 37.955 7.694 -16.227 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 665 39.462 8.079 -16.210 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 666 32.101 1.281 -14.905 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 666 32.245 0.316 -14.815 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 666 32.884 1.679 -14.479 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 667 38.307 10.095 -18.389 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 667 38.310 9.491 -17.619 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 667 38.882 10.839 -18.108 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 668 33.987 4.010 -14.623 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 668 34.201 3.203 -14.111 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 668 34.804 4.522 -14.611 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 669 24.449 5.915 -17.721 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 669 23.872 6.705 -17.648 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 669 25.309 6.275 -18.020 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 670 26.083 5.325 -15.341 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 670 25.630 6.056 -15.791 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 670 27.032 5.545 -15.421 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 671 27.414 -5.111 -15.611 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 671 27.665 -5.704 -16.336 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 671 27.481 -5.672 -14.809 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 672 25.504 -0.509 -16.315 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 672 25.047 -0.006 -15.603 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 672 26.445 -0.347 -16.147 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 673 34.133 -1.168 -12.821 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 673 33.558 -1.305 -13.610 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 673 33.776 -1.771 -12.161 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 674 20.605 8.269 -21.162 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 674 20.478 8.192 -20.206 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 674 19.931 7.665 -21.543 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 675 27.073 6.541 -17.945 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 675 27.425 7.204 -18.552 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 675 27.830 6.316 -17.366 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 676 23.905 3.636 -14.992 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 676 24.727 4.169 -14.973 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 676 24.194 2.740 -14.731 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 677 27.657 1.353 -15.348 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 677 27.252 1.518 -14.470 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 677 28.455 1.927 -15.352 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 678 20.810 6.727 -16.925 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 678 20.931 6.440 -15.993 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 678 21.599 7.273 -17.112 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 679 37.111 6.238 -16.849 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 679 36.648 6.191 -17.707 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 679 37.677 5.436 -16.839 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 680 40.573 5.855 -9.565 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 680 40.516 5.634 -8.618 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 680 40.425 6.823 -9.594 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 681 33.285 0.822 -19.404 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 681 33.024 1.577 -19.970 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 681 33.385 0.081 -20.023 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 682 37.372 1.240 -12.896 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 682 37.857 1.313 -12.051 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 682 37.271 0.268 -13.035 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 683 36.253 0.486 -17.800 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 683 36.453 -0.400 -18.179 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 683 35.304 0.604 -17.964 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 684 39.887 -5.099 -1.533 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 684 40.728 -5.250 -2.023 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 684 40.050 -4.297 -1.024 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 685 36.804 -1.289 -13.590 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 685 35.881 -1.344 -13.274 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 685 36.755 -1.594 -14.525 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 686 20.849 -0.280 -14.953 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 686 21.122 0.514 -14.441 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 686 21.578 -0.919 -14.807 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 687 34.707 -6.368 -3.884 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 687 35.420 -6.972 -3.580 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 687 35.140 -5.795 -4.524 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 688 34.622 -8.100 -15.125 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 688 34.211 -7.495 -15.773 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 688 35.385 -7.606 -14.787 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 689 33.269 -9.208 -11.306 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 689 32.865 -9.071 -12.188 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 689 32.788 -8.609 -10.729 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 690 21.930 -4.269 -13.655 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 690 20.992 -4.450 -13.446 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 690 22.427 -4.690 -12.918 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 691 26.779 -4.045 -12.674 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 691 26.885 -3.879 -13.621 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 691 27.098 -4.958 -12.559 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 692 36.567 -2.267 -16.116 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 692 36.595 -3.219 -15.930 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 692 36.727 -2.207 -17.085 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 693 38.670 10.358 -14.052 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 693 38.817 9.676 -14.750 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 693 37.712 10.469 -14.034 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 694 25.109 11.890 -20.323 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 694 25.988 12.283 -20.351 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 694 24.539 12.606 -19.957 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 695 33.268 16.894 -24.191 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 695 33.130 16.909 -23.242 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 695 34.104 17.343 -24.318 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 696 17.089 14.052 -22.872 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 696 16.234 14.150 -23.344 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 696 17.248 14.939 -22.493 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 697 38.147 13.267 -19.382 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 697 38.936 13.069 -18.848 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 697 37.476 12.679 -19.036 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 698 41.570 -24.415 -37.647 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 698 40.994 -23.800 -38.144 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 698 41.072 -24.614 -36.849 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 699 41.875 -21.576 -28.455 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 699 41.716 -22.418 -28.936 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 699 42.849 -21.504 -28.416 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 700 41.513 -23.707 -30.166 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 700 42.386 -24.170 -30.204 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 700 40.869 -24.410 -30.285 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 701 44.369 -21.188 -31.014 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 701 43.669 -20.531 -31.134 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 701 44.500 -21.222 -30.042 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 702 45.641 -21.333 -36.261 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 702 44.921 -21.830 -36.709 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 702 45.245 -21.051 -35.417 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 703 38.055 -20.773 -34.362 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 703 38.665 -21.203 -35.006 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 703 37.307 -21.399 -34.293 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 704 39.965 -21.074 -23.440 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 704 40.227 -21.240 -24.371 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 704 40.712 -20.550 -23.077 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 705 45.913 -20.427 -24.226 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 705 46.068 -19.612 -23.713 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 705 45.039 -20.286 -24.652 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 706 41.484 -30.018 -4.707 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 706 41.669 -30.956 -4.487 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 706 40.619 -30.051 -5.179 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 707 36.502 -29.661 -8.286 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 707 35.781 -30.185 -7.859 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 707 36.610 -30.074 -9.150 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 708 39.975 -29.485 -8.567 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 708 39.442 -28.926 -9.180 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 708 40.617 -28.856 -8.170 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 709 43.521 -28.399 -5.574 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 709 42.804 -28.937 -5.159 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 709 44.217 -29.040 -5.758 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 710 41.780 -32.652 -3.998 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 710 42.606 -32.862 -3.491 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 710 41.659 -33.414 -4.575 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 711 38.990 -27.555 -5.920 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 711 39.858 -27.440 -6.354 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 711 38.940 -28.519 -5.745 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 712 40.214 -24.188 -11.948 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 712 40.109 -23.780 -11.063 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 712 40.906 -23.666 -12.368 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 713 38.512 -27.952 -10.218 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 713 37.688 -28.290 -10.634 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 713 38.909 -27.385 -10.911 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 714 41.282 -25.012 -6.087 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 714 41.133 -25.093 -5.120 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 714 42.229 -24.823 -6.162 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 715 47.970 -27.912 -1.902 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 715 47.651 -28.821 -1.873 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 715 48.906 -27.974 -1.575 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 716 41.377 -28.018 -2.830 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 716 41.300 -28.701 -3.524 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 716 41.792 -28.488 -2.079 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 717 39.139 -30.253 -6.030 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 717 39.199 -30.180 -7.007 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 717 38.550 -31.027 -5.882 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 718 53.182 -25.848 -0.867 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 718 52.858 -25.147 -1.459 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 718 54.151 -25.828 -0.980 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 719 48.183 -26.107 -4.006 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 719 48.108 -26.656 -4.805 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 719 48.109 -26.748 -3.264 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 720 47.970 -22.546 -11.121 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 720 48.729 -22.973 -10.662 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 720 48.381 -21.818 -11.633 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 721 39.163 -24.987 -7.892 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 721 39.855 -24.926 -7.200 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 721 39.375 -24.257 -8.503 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 722 41.165 -28.715 1.643 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 722 41.647 -29.372 1.125 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 722 40.373 -29.193 1.957 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 723 40.534 -31.453 -1.829 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 723 41.111 -30.681 -1.657 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 723 40.949 -31.894 -2.600 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 724 45.609 -31.743 -0.922 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 724 44.828 -31.550 -0.366 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 724 46.358 -31.565 -0.347 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 725 41.470 -27.521 -7.234 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 725 41.436 -26.568 -7.015 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 725 42.297 -27.833 -6.814 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 726 37.871 -31.989 -2.654 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 726 38.794 -31.801 -2.381 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 726 37.941 -32.204 -3.610 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 727 50.514 -28.205 -1.041 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 727 50.810 -27.812 -0.193 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 727 51.319 -28.242 -1.577 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 728 47.156 -25.960 -6.837 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 728 46.593 -25.616 -7.559 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 728 48.028 -25.534 -6.995 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 729 41.814 -21.400 -14.473 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 729 41.873 -20.570 -13.991 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 729 42.524 -21.333 -15.153 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 730 52.685 -25.799 -4.320 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 730 53.637 -25.987 -4.399 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 730 52.292 -26.666 -4.118 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 731 50.500 -22.437 -5.658 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 731 50.030 -21.587 -5.773 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 731 51.454 -22.188 -5.681 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 732 38.212 -25.168 1.723 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 732 38.909 -25.581 1.162 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 732 38.658 -24.994 2.562 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 733 43.890 -25.689 -4.997 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 733 43.211 -25.560 -4.296 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 733 43.846 -26.650 -5.197 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 734 48.975 -25.809 1.432 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 734 49.283 -24.949 1.790 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 734 49.800 -26.325 1.321 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 735 40.572 -31.804 0.915 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 735 40.362 -31.805 -0.042 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 735 39.826 -31.318 1.321 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 736 43.881 -33.252 -2.457 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 736 44.645 -32.720 -2.149 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 736 43.641 -33.793 -1.680 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 737 56.629 -20.834 -5.795 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 737 57.518 -20.544 -5.489 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 737 56.046 -20.073 -5.580 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 738 57.517 -24.994 -3.800 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 738 58.442 -24.808 -3.602 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 738 57.339 -24.471 -4.620 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 739 55.220 -26.853 -3.851 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 739 55.301 -26.563 -2.917 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 739 56.030 -26.518 -4.271 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 740 39.675 -32.014 -9.602 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 740 39.995 -31.905 -10.503 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 740 39.831 -31.139 -9.184 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 741 41.706 -25.387 -3.365 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 741 41.666 -24.962 -2.482 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 741 41.470 -26.331 -3.186 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 742 45.856 -24.098 -2.035 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 742 45.997 -23.253 -1.556 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 742 46.003 -24.782 -1.358 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 743 49.632 -23.756 -3.422 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 743 49.297 -24.657 -3.619 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 743 49.953 -23.423 -4.290 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 744 36.848 -25.988 -5.291 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 744 37.728 -26.422 -5.224 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 744 36.487 -26.037 -4.397 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 745 45.828 -24.277 -8.684 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 745 46.124 -23.351 -8.597 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 745 45.484 -24.328 -9.595 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 746 39.964 -22.678 -9.643 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 746 39.581 -21.931 -10.143 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 746 40.720 -22.283 -9.177 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 747 52.347 -23.786 -2.590 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 747 52.532 -24.438 -3.309 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 747 51.397 -23.580 -2.702 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 748 53.943 -21.020 7.494 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 748 54.457 -20.773 8.268 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 748 54.600 -21.138 6.799 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 749 51.400 -22.805 -0.177 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 749 51.980 -23.124 -0.892 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 749 51.982 -22.221 0.365 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 750 53.226 -26.038 3.271 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 750 52.672 -25.617 3.931 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 750 54.128 -25.713 3.470 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 751 42.552 -29.614 -0.931 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 751 42.888 -30.436 -0.518 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 751 43.159 -28.913 -0.593 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 752 44.216 -27.860 0.333 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 752 45.012 -27.308 0.225 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 752 43.861 -27.596 1.190 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 753 45.744 -25.063 2.481 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 753 46.550 -24.982 3.008 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 753 46.045 -25.458 1.645 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 754 45.162 -21.452 1.617 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 754 44.475 -22.096 1.898 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 754 45.769 -21.401 2.387 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 755 43.004 -34.497 -0.111 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 755 42.051 -34.628 -0.005 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 755 43.399 -35.277 0.299 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 756 46.674 -26.290 0.007 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 756 47.024 -26.819 -0.739 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 756 47.477 -26.077 0.541 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 757 51.591 -26.796 1.132 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 757 52.118 -26.678 1.951 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 757 52.161 -26.409 0.427 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 758 43.246 -31.825 0.508 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 758 43.338 -32.778 0.307 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 758 42.334 -31.750 0.873 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 759 46.273 -21.679 -0.822 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 759 47.250 -21.825 -0.799 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 759 46.023 -21.559 0.126 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 760 40.056 -26.650 0.262 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 760 40.577 -27.302 0.786 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 760 39.487 -27.203 -0.303 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 761 39.065 -21.348 5.834 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 761 38.113 -21.187 5.661 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 761 39.479 -21.282 4.953 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 762 43.562 -23.383 2.694 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 762 44.289 -24.044 2.669 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 762 43.517 -23.112 3.638 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 763 48.861 -22.410 -1.153 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 763 49.699 -22.514 -0.655 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 763 49.012 -22.920 -1.977 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 764 41.718 -24.591 -0.704 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 764 42.234 -24.368 0.083 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 764 41.148 -25.335 -0.415 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 765 51.104 -11.277 -48.240 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 765 51.659 -11.596 -47.501 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 765 50.261 -11.029 -47.814 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 766 48.577 -16.130 -42.386 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 766 48.583 -17.076 -42.630 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 766 48.543 -16.137 -41.405 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 767 52.410 -11.943 -45.831 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 767 53.340 -11.831 -45.599 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 767 52.141 -12.764 -45.355 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 768 41.745 -15.967 -46.817 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 768 42.667 -16.265 -46.670 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 768 41.837 -15.247 -47.479 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 769 47.221 -5.758 -43.895 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 769 48.017 -6.256 -44.172 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 769 47.188 -5.883 -42.921 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 770 46.699 -14.340 -47.352 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 770 47.180 -14.338 -46.505 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 770 47.208 -13.747 -47.915 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 771 40.250 -16.638 -44.490 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 771 39.402 -16.255 -44.777 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 771 40.867 -16.428 -45.222 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 772 44.559 -16.105 -46.940 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 772 45.090 -16.638 -46.316 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 772 45.186 -15.424 -47.257 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 773 43.548 -19.539 -43.727 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 773 43.883 -19.689 -44.616 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 773 44.317 -19.155 -43.243 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 774 48.993 -10.126 -46.817 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 774 49.684 -9.966 -46.137 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 774 48.161 -9.866 -46.376 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 775 45.724 -18.268 -42.693 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 775 45.548 -18.046 -41.749 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 775 46.673 -18.512 -42.708 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 776 40.209 -12.824 -47.338 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 776 39.550 -13.520 -47.201 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 776 40.961 -13.286 -47.757 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 777 48.252 -10.491 -43.583 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 777 49.048 -9.997 -43.336 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 777 47.744 -9.867 -44.137 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 778 48.856 -8.235 -48.831 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 778 48.958 -8.925 -48.146 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 778 49.521 -8.478 -49.511 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 779 52.595 -12.662 -38.857 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 779 52.313 -12.309 -37.982 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 779 53.519 -12.343 -38.953 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 780 51.619 -13.463 -41.272 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 780 51.823 -13.123 -40.368 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 780 50.869 -12.925 -41.567 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 781 50.790 -17.841 -37.525 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 781 50.269 -17.090 -37.152 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 781 51.116 -17.501 -38.382 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 782 42.317 -14.073 -48.687 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 782 42.341 -13.293 -49.292 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 782 43.223 -14.411 -48.704 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 783 46.328 -17.253 -45.141 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 783 45.934 -17.454 -44.264 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 783 47.132 -17.795 -45.164 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 784 46.208 -7.810 -39.142 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 784 45.774 -8.636 -38.846 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 784 46.536 -7.409 -38.312 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 785 47.128 -8.636 -45.399 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 785 46.733 -8.119 -46.134 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 785 47.874 -8.080 -45.091 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 786 55.938 -8.687 -40.806 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 786 56.419 -8.920 -39.984 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 786 56.187 -7.762 -40.968 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 787 37.034 -6.877 -46.800 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 787 36.808 -7.249 -45.916 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 787 37.660 -7.523 -47.181 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 788 52.569 -19.939 -38.501 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 788 51.972 -19.366 -37.992 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 788 53.052 -20.449 -37.814 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 789 50.364 -21.235 -39.671 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 789 51.280 -20.908 -39.622 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 789 49.994 -21.030 -38.789 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 790 41.644 -15.821 -39.750 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 790 41.443 -15.110 -40.394 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 790 41.229 -15.520 -38.931 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 791 50.837 -9.459 -50.286 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 791 51.024 -10.135 -49.596 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 791 51.320 -9.767 -51.054 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 792 47.830 -14.958 -44.766 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 792 48.176 -15.293 -43.904 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 792 47.197 -15.647 -45.047 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 793 48.980 -21.031 -42.025 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 793 48.440 -21.819 -41.945 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 793 49.526 -21.030 -41.203 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 794 49.382 -12.982 -43.630 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 794 48.948 -12.102 -43.639 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 794 48.774 -13.553 -44.142 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 795 56.155 -14.056 -40.059 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 795 56.965 -14.246 -40.541 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 795 55.450 -14.074 -40.753 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 796 51.690 -14.191 -44.387 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 796 51.887 -14.855 -43.703 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 796 50.862 -13.761 -44.072 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 797 38.929 -8.200 -48.326 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 797 39.709 -8.018 -47.749 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 797 38.865 -7.394 -48.895 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 798 42.425 -11.715 -50.014 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 798 41.895 -11.180 -49.380 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 798 42.785 -11.067 -50.624 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 799 41.330 -7.931 -47.046 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 799 41.447 -8.844 -47.371 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 799 42.236 -7.556 -47.055 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 800 42.319 -18.365 -40.245 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 800 41.900 -18.489 -41.119 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 800 42.033 -17.463 -39.970 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 801 48.451 -18.699 -43.334 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 801 49.309 -18.435 -43.743 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 801 48.653 -19.559 -42.888 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 802 48.176 -16.360 -39.688 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 802 47.374 -16.062 -39.240 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 802 48.189 -17.334 -39.534 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 803 52.508 -17.577 -39.996 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 803 53.357 -17.154 -39.733 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 803 52.615 -18.511 -39.728 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 804 50.716 -17.440 -44.281 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 804 50.748 -16.723 -44.922 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 804 51.171 -17.076 -43.494 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 805 49.375 -7.423 -44.453 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 805 49.781 -6.998 -43.665 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 805 50.096 -7.972 -44.827 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 806 40.821 -10.364 -48.262 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 806 40.544 -11.191 -47.799 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 806 39.991 -9.867 -48.379 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 807 45.018 -17.832 -40.117 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 807 44.060 -18.035 -40.047 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 807 45.183 -17.198 -39.397 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 808 45.144 -20.715 -40.371 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 808 45.861 -21.140 -39.855 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 808 45.353 -19.766 -40.330 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 809 47.200 -17.421 -36.754 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 809 47.987 -16.854 -36.555 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 809 46.546 -16.800 -37.109 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 810 47.083 -21.562 -38.573 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 810 47.901 -22.014 -38.332 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 810 46.602 -21.464 -37.716 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 811 49.702 -20.432 -37.099 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 811 49.780 -20.504 -36.142 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 811 49.882 -19.488 -37.284 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 812 47.778 -18.919 -38.989 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 812 47.623 -19.883 -38.949 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 812 47.564 -18.606 -38.088 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 813 40.148 -4.185 -47.662 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 813 39.226 -4.153 -47.322 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 813 40.615 -3.489 -47.148 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 814 51.033 -9.634 -45.046 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 814 51.188 -9.733 -44.080 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 814 51.580 -10.342 -45.445 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 815 54.807 -10.418 -42.981 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 815 55.232 -9.766 -42.398 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 815 54.924 -11.254 -42.524 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 816 51.399 -7.923 -40.424 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 816 52.280 -8.363 -40.371 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 816 50.798 -8.546 -39.952 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 817 53.162 -14.967 -37.274 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 817 52.398 -15.017 -36.652 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 817 52.899 -14.281 -37.917 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 818 54.737 -16.281 -39.086 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 818 54.242 -15.943 -38.309 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 818 55.327 -15.547 -39.329 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 819 52.001 -16.027 -42.243 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 819 52.107 -16.681 -41.513 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 819 51.686 -15.215 -41.789 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 820 36.447 -19.084 -35.845 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 820 36.763 -19.223 -36.767 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 820 37.077 -19.601 -35.297 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 821 41.168 -18.674 -42.799 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 821 42.065 -18.870 -43.164 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 821 40.825 -17.956 -43.379 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 822 38.594 -15.825 -42.314 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 822 39.409 -16.093 -42.768 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 822 38.076 -15.375 -43.004 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 823 41.270 -21.445 -43.165 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 823 42.238 -21.453 -43.137 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 823 41.043 -20.499 -43.200 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 824 47.282 -6.189 -41.159 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 824 47.069 -5.297 -40.794 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 824 46.881 -6.813 -40.513 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 825 51.265 -9.952 -42.381 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 825 52.099 -10.362 -42.097 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 825 51.154 -9.203 -41.774 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 826 34.468 -6.468 -47.632 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 826 34.307 -5.538 -47.418 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 826 35.400 -6.616 -47.370 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 827 39.435 -22.548 -41.543 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 827 40.148 -22.293 -42.179 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 827 38.990 -23.286 -41.973 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 828 43.597 -22.580 -37.545 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 828 43.113 -23.428 -37.642 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 828 43.303 -22.049 -38.314 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 829 57.114 -20.365 -29.268 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 829 57.516 -19.542 -29.607 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 829 56.639 -20.728 -30.033 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 830 53.039 -19.429 -31.527 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 830 53.565 -19.243 -30.739 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 830 53.029 -18.583 -32.012 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 831 57.249 -18.455 -20.991 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 831 57.120 -17.488 -21.102 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 831 57.030 -18.826 -21.869 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 832 43.002 -17.743 -26.894 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 832 43.348 -16.856 -27.137 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 832 42.384 -17.566 -26.146 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 833 55.062 -17.735 -27.400 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 833 55.176 -16.778 -27.244 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 833 54.909 -17.803 -28.361 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 834 57.045 -18.886 -23.847 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 834 56.891 -19.301 -24.726 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 834 57.938 -18.499 -23.923 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 835 44.675 -21.248 -28.238 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 835 44.387 -20.778 -27.425 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 835 45.550 -21.594 -28.008 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 836 51.296 -17.290 -16.092 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 836 50.979 -17.916 -16.773 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 836 52.146 -16.961 -16.452 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 837 43.711 -20.138 -25.881 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 837 42.817 -20.488 -25.690 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 837 43.541 -19.248 -26.270 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 838 48.779 -18.453 -19.852 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 838 48.871 -17.664 -20.439 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 838 48.545 -19.167 -20.457 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 839 47.156 -18.061 -33.894 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 839 47.072 -18.091 -34.864 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 839 47.971 -17.548 -33.740 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 840 42.579 -21.021 -39.578 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 840 43.481 -21.086 -39.972 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 840 42.358 -20.069 -39.658 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 841 35.223 -18.290 -24.665 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 841 36.165 -18.495 -24.518 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 841 34.961 -18.882 -25.406 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 842 47.914 -18.086 -25.864 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 842 47.625 -17.529 -26.610 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 842 47.745 -19.001 -26.169 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 843 49.013 -16.555 -21.776 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 843 49.562 -16.873 -22.529 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 843 49.364 -15.664 -21.581 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 844 48.011 -17.151 -30.985 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 844 48.420 -16.613 -31.688 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 844 48.176 -18.060 -31.262 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 845 49.390 -16.435 -33.427 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 845 49.299 -16.134 -34.363 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 845 50.166 -15.932 -33.092 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 846 54.674 -15.094 -31.649 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 846 54.164 -15.917 -31.702 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 846 55.260 -15.225 -30.885 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 847 41.907 -19.280 -22.788 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 847 41.714 -18.722 -23.582 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 847 42.803 -19.009 -22.517 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 848 49.928 -17.945 -23.970 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 848 49.228 -17.966 -24.659 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 848 50.744 -18.093 -24.458 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 849 54.060 -21.073 -33.528 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 849 54.915 -21.099 -33.061 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 849 53.478 -20.568 -32.925 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 850 45.782 -23.540 -31.388 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 850 45.337 -22.667 -31.331 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 850 46.374 -23.455 -32.141 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 851 52.585 -20.739 -16.832 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 851 51.752 -20.289 -17.066 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 851 53.086 -20.753 -17.671 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 852 40.996 -20.734 -25.982 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 852 41.135 -21.078 -26.892 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 852 40.768 -19.803 -26.113 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 853 41.432 -16.661 -20.179 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 853 41.866 -16.435 -21.033 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 853 42.145 -17.084 -19.654 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 854 42.325 -16.151 -22.726 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 854 42.064 -15.271 -23.058 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 854 41.993 -16.770 -23.420 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 855 46.788 -17.976 -23.141 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 855 47.570 -17.603 -22.697 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 855 46.944 -17.789 -24.088 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 856 44.300 -17.956 -21.859 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 856 45.199 -17.958 -22.256 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 856 43.868 -17.171 -22.251 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 857 47.355 -20.787 -26.464 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 857 48.026 -21.449 -26.276 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 857 46.801 -20.765 -25.646 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 858 45.339 -16.705 -17.525 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 858 44.633 -17.115 -18.074 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 858 44.878 -16.419 -16.713 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 859 47.823 -17.715 -17.371 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 859 48.212 -17.886 -18.255 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 859 46.865 -17.587 -17.551 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 860 50.406 -19.297 -17.783 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 860 49.919 -19.016 -18.585 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 860 49.702 -19.535 -17.149 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 861 39.781 -18.654 -21.024 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 861 40.218 -18.735 -21.897 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 861 40.348 -18.024 -20.535 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 862 46.266 -19.688 -15.536 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 862 47.190 -19.999 -15.613 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 862 45.935 -20.112 -14.707 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 863 54.842 -12.759 -29.151 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 863 55.174 -11.900 -28.774 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 863 54.156 -12.491 -29.772 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 864 51.683 -14.921 -33.156 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 864 51.460 -14.781 -34.113 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 864 52.124 -14.080 -32.892 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 865 55.970 -17.965 -32.850 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 865 56.565 -17.189 -32.769 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 865 55.148 -17.601 -33.234 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 866 51.356 -18.124 -34.777 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 866 50.569 -17.659 -34.454 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 866 51.330 -17.995 -35.744 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 867 55.267 -17.783 -30.204 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 867 55.298 -17.991 -31.155 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 867 56.206 -17.813 -29.928 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 868 55.594 -14.968 -27.550 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 868 55.153 -14.192 -27.948 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 868 56.445 -15.014 -28.007 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 869 35.103 -17.097 -19.730 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 869 34.593 -17.927 -19.585 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 869 35.818 -17.367 -20.350 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 870 53.154 -20.005 -19.444 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 870 53.856 -19.511 -19.882 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 870 52.430 -19.374 -19.366 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 871 38.906 -19.430 -32.120 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 871 39.637 -19.964 -31.732 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 871 38.704 -19.880 -32.968 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 872 35.847 -21.331 -24.399 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 872 36.576 -20.729 -24.155 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 872 35.110 -21.060 -23.825 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 873 46.747 -17.241 -28.476 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 873 46.362 -18.114 -28.602 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 873 47.290 -17.098 -29.282 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 874 40.710 -21.096 -30.917 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 874 40.989 -22.017 -31.059 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 874 40.928 -20.925 -29.983 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 875 42.025 -21.927 -35.414 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 875 42.637 -21.541 -34.756 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 875 42.605 -22.160 -36.167 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 876 43.883 -25.014 -30.115 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 876 44.568 -24.523 -30.627 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 876 44.387 -25.652 -29.601 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 877 44.059 -20.784 -33.879 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 877 44.271 -21.211 -33.033 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 877 43.909 -19.843 -33.638 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 878 39.245 -21.270 -20.607 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 878 39.456 -20.320 -20.754 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 878 39.355 -21.674 -21.488 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 879 40.049 -17.387 -10.960 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 879 39.523 -16.571 -10.818 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 879 40.658 -17.152 -11.696 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 880 40.969 -16.425 -6.143 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 880 40.554 -15.633 -6.512 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 880 41.023 -17.050 -6.909 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 881 57.474 -18.208 -3.427 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 881 57.152 -18.548 -2.570 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 881 56.685 -18.248 -4.010 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 882 53.048 -21.462 -5.714 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 882 53.156 -20.940 -4.882 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 882 53.935 -21.800 -5.894 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 883 52.353 -12.621 -4.678 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 883 51.398 -12.487 -4.771 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 883 52.727 -12.258 -5.502 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 884 56.130 -15.362 -6.264 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 884 56.197 -14.552 -6.809 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 884 56.487 -16.060 -6.837 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 885 53.702 -20.940 -14.361 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 885 54.299 -21.686 -14.453 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 885 53.277 -20.860 -15.248 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 886 38.420 -11.462 -1.688 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 886 37.442 -11.569 -1.768 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 886 38.569 -11.400 -0.724 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 887 45.105 -20.842 -13.371 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 887 44.877 -20.834 -12.420 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 887 44.498 -21.489 -13.753 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 888 43.888 -20.914 -16.186 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 888 43.665 -20.880 -17.136 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 888 44.710 -20.387 -16.114 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 889 39.556 -20.270 -11.141 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 889 39.612 -19.303 -11.008 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 889 38.953 -20.371 -11.912 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 890 40.313 -18.702 -17.290 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 890 39.793 -18.066 -17.789 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 890 40.776 -18.163 -16.627 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 891 41.065 -18.017 -8.407 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 891 40.704 -17.788 -9.287 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 891 41.458 -18.904 -8.535 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 892 44.748 -15.977 -14.804 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 892 44.542 -14.999 -14.852 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 892 44.029 -16.337 -14.265 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 893 41.507 -16.290 -15.894 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 893 41.902 -16.092 -16.748 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 893 41.474 -15.414 -15.436 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 894 50.408 -6.700 0.046 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 894 50.438 -7.668 -0.133 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 894 51.134 -6.332 -0.509 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 895 41.891 -20.525 -9.554 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 895 42.770 -20.732 -9.939 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 895 41.299 -20.459 -10.325 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 896 57.260 -15.908 -16.618 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 896 57.741 -15.632 -17.432 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 896 57.619 -15.310 -15.913 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 897 54.636 -14.136 -4.158 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 897 53.775 -13.723 -4.392 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 897 54.970 -14.496 -5.004 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 898 45.326 -9.895 -3.844 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 898 45.974 -9.208 -4.089 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 898 45.875 -10.703 -3.710 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 899 50.390 -9.944 -8.003 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 899 50.580 -10.449 -8.823 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 899 49.449 -10.100 -7.846 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 900 38.800 -8.849 -4.364 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 900 38.473 -8.777 -5.283 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 900 38.018 -8.622 -3.817 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 901 45.419 -23.612 -11.369 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 901 45.359 -24.322 -12.047 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 901 46.357 -23.322 -11.407 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 902 43.061 -20.759 -18.809 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 902 43.274 -21.345 -19.546 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 902 42.168 -21.054 -18.517 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 903 43.599 -18.062 -19.181 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 903 43.391 -19.004 -18.982 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 903 43.969 -18.088 -20.094 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 904 49.253 -24.276 -7.307 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 904 49.823 -23.694 -6.764 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 904 49.471 -24.031 -8.228 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 905 40.227 -9.348 -0.157 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 905 41.027 -9.117 0.373 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 905 39.705 -9.922 0.434 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 906 43.457 -7.757 -3.918 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 906 44.019 -8.556 -3.854 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 906 44.077 -7.051 -4.196 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 907 53.616 -6.888 -7.129 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 907 54.259 -6.600 -7.808 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 907 53.449 -7.827 -7.346 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 908 52.975 -5.188 -4.972 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 908 52.055 -5.426 -4.818 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 908 53.268 -5.802 -5.684 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 909 55.027 -13.338 0.489 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 909 55.529 -12.682 0.983 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 909 55.263 -13.161 -0.457 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 910 54.358 -11.664 -6.513 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 910 54.973 -12.177 -7.085 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 910 54.844 -11.553 -5.688 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 911 55.935 -12.939 -1.997 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 911 56.895 -12.972 -2.212 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 911 55.503 -13.349 -2.773 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 912 50.941 -18.726 -13.835 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 912 51.052 -18.105 -14.593 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 912 51.821 -18.728 -13.406 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 913 38.969 -12.331 -4.402 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 913 38.542 -11.976 -5.218 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 913 38.350 -12.100 -3.691 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 914 55.276 -16.191 -2.484 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 914 54.567 -16.865 -2.595 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 914 55.025 -15.473 -3.102 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 915 55.221 -18.636 -4.986 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 915 54.728 -17.901 -5.371 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 915 54.572 -19.066 -4.371 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 916 49.041 -20.124 -15.436 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 916 49.710 -19.689 -14.867 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 916 49.252 -21.064 -15.370 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 917 56.392 -19.389 -9.892 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 917 55.477 -19.098 -10.048 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 917 56.937 -18.775 -10.429 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 918 55.712 -25.001 4.193 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 918 56.254 -25.545 4.770 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 918 56.326 -24.305 3.873 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 919 49.387 -20.300 -12.058 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 919 49.991 -19.800 -12.641 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 919 49.587 -19.969 -11.173 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 920 53.759 -18.466 -13.294 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 920 53.792 -19.400 -13.614 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 920 54.269 -17.963 -13.975 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 921 37.770 -20.486 -13.237 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 921 37.613 -21.450 -13.310 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 921 37.488 -20.138 -14.091 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 922 48.461 -9.208 -2.456 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 922 48.646 -10.028 -2.978 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 922 47.881 -8.686 -3.035 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 923 49.976 -5.226 -3.503 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 923 49.407 -5.113 -2.711 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 923 49.454 -5.793 -4.088 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 924 41.094 -3.329 -6.252 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 924 40.415 -3.776 -5.715 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 924 41.869 -3.904 -6.181 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 925 46.670 -21.549 -8.959 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 925 47.107 -21.889 -9.769 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 925 47.330 -20.927 -8.577 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 926 57.353 -23.464 -6.050 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 926 57.861 -23.373 -6.865 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 926 57.001 -22.563 -5.888 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 927 51.751 -21.480 -8.535 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 927 51.589 -20.532 -8.728 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 927 52.302 -21.467 -7.737 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 928 44.364 -21.199 -10.670 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 928 45.009 -20.982 -9.971 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 928 44.570 -22.134 -10.898 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 929 40.480 -21.328 -18.090 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 929 39.987 -21.387 -18.937 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 929 40.340 -20.396 -17.793 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 930 39.500 -22.247 -15.647 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 930 39.854 -22.164 -16.556 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 930 40.265 -22.012 -15.074 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 931 48.769 -19.911 -8.220 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 931 49.567 -19.434 -8.520 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 931 48.876 -19.965 -7.252 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 932 50.233 -23.356 -9.759 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 932 50.736 -22.615 -9.337 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 932 50.918 -23.919 -10.134 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 933 45.387 -25.588 -13.256 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 933 44.702 -25.746 -13.914 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 933 45.999 -26.323 -13.366 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 934 54.766 -22.201 -2.195 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 934 54.364 -21.474 -2.731 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 934 54.085 -22.897 -2.197 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 935 51.434 -11.224 -2.220 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 935 52.091 -11.688 -2.758 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 935 50.599 -11.295 -2.747 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 936 36.843 -17.800 5.083 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 936 36.631 -17.470 5.980 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 936 37.549 -17.192 4.773 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 937 36.562 -16.721 7.565 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 937 35.690 -17.024 7.899 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 937 37.210 -17.299 8.025 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 938 42.530 -20.486 8.356 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 938 43.334 -20.377 7.804 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 938 41.877 -19.894 7.944 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 939 53.266 -16.835 5.452 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 939 52.834 -16.308 4.730 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 939 53.301 -16.228 6.197 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 940 38.196 -18.680 8.670 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 940 38.591 -18.798 9.542 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 940 38.956 -18.788 8.049 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 941 40.332 -19.224 7.052 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 941 39.999 -20.091 6.733 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 941 40.624 -18.768 6.236 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 942 41.151 -11.955 2.137 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 942 41.254 -12.780 2.655 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 942 42.067 -11.690 1.925 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 943 51.338 -16.580 0.682 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 943 51.507 -15.632 0.855 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 943 52.223 -16.942 0.462 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 944 48.540 -18.658 5.856 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 944 49.454 -18.787 5.516 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 944 48.645 -18.023 6.573 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 945 41.443 -15.964 5.327 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 945 41.536 -15.403 4.523 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 945 41.373 -16.880 4.975 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 946 53.869 -17.511 0.227 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 946 54.682 -16.962 0.193 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 946 53.708 -17.757 -0.715 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 947 52.583 -21.157 1.594 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 947 51.926 -20.462 1.786 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 947 53.425 -20.777 1.908 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 948 41.638 -14.531 3.076 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 948 42.520 -14.361 2.668 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 948 41.251 -15.245 2.523 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 949 56.088 -15.867 0.036 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 949 55.697 -14.990 0.227 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 949 56.006 -15.958 -0.946 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 950 44.655 -20.157 6.625 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 950 44.922 -19.551 5.905 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 950 45.506 -20.517 6.957 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 951 46.035 -18.798 4.598 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 951 45.837 -18.184 3.857 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 951 46.902 -18.498 4.936 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 952 41.180 -22.681 9.247 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 952 41.681 -21.868 9.002 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 952 41.862 -23.334 9.418 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 953 49.236 -21.643 8.658 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 953 49.997 -21.345 8.103 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 953 49.647 -22.102 9.393 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 954 41.014 -18.557 4.454 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 954 40.311 -19.014 3.946 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 954 41.814 -19.060 4.253 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 955 43.796 -22.447 5.309 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 955 43.901 -21.618 5.812 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 955 44.605 -22.958 5.522 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 956 45.319 -13.629 4.241 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 956 44.755 -14.052 4.929 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 956 45.585 -12.797 4.635 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 957 51.407 -18.732 2.460 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 957 52.388 -18.724 2.525 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 957 51.196 -17.927 1.938 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 958 48.865 -13.716 0.889 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 958 49.364 -12.944 1.233 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 958 48.297 -13.333 0.190 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 959 54.113 -18.976 2.496 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 959 54.157 -18.481 1.649 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 959 54.746 -18.508 3.079 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 960 43.652 -14.492 6.223 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 960 43.360 -14.152 7.071 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 960 42.931 -15.098 5.947 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 961 49.382 -14.918 3.306 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 961 48.562 -14.735 3.776 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 961 49.219 -14.583 2.399 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 962 52.042 -15.370 3.575 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 962 52.344 -14.928 2.758 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 962 51.066 -15.236 3.571 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 963 44.684 -8.139 -0.460 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 963 45.309 -8.882 -0.313 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 963 45.194 -7.501 -0.995 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 964 46.166 -10.284 0.412 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 964 46.681 -10.911 -0.144 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 964 46.826 -9.930 1.042 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 965 51.223 -18.734 5.194 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 965 51.193 -18.780 4.212 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 965 51.968 -18.124 5.380 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 966 47.296 -20.889 6.965 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 966 47.745 -20.128 6.545 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 966 47.928 -21.182 7.665 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 967 51.247 -20.727 7.127 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 967 52.202 -20.906 7.268 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 967 51.233 -20.063 6.410 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 968 47.972 -9.336 2.365 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 968 47.391 -9.146 3.106 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 968 48.631 -8.601 2.382 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 969 43.959 -13.793 1.870 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 969 44.603 -13.846 2.613 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 969 43.985 -12.854 1.600 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 970 42.538 -8.587 1.095 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 970 43.256 -8.410 0.432 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 970 42.571 -7.824 1.683 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 971 49.872 -11.234 1.515 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 971 50.202 -10.609 0.839 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 971 49.180 -10.730 1.981 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 972 52.461 -14.052 1.143 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 972 52.004 -13.211 0.997 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 972 53.388 -13.874 0.861 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 973 47.781 -11.982 -1.002 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 973 48.595 -11.463 -1.056 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 973 47.476 -12.042 -1.940 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 974 59.280 -18.267 3.585 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 974 58.625 -17.868 2.962 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 974 60.134 -18.084 3.180 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 975 57.382 -17.195 1.979 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 975 56.676 -17.143 2.662 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 975 57.037 -16.644 1.236 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 976 55.995 -19.545 -1.494 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 976 55.716 -20.474 -1.567 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 976 55.232 -19.040 -1.840 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 977 55.632 -17.283 4.080 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 977 54.818 -17.116 4.602 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 977 56.358 -17.217 4.741 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 978 57.864 -17.182 5.665 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 978 58.422 -17.695 5.043 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 978 58.486 -16.839 6.311 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 979 57.183 -24.597 0.683 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 979 56.852 -24.353 1.564 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 979 58.157 -24.658 0.806 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 980 36.495 -20.490 5.293 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 980 36.185 -20.601 6.216 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 980 36.630 -19.519 5.202 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 981 39.494 -20.575 3.159 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 981 39.913 -21.116 2.480 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 981 38.533 -20.615 2.939 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 982 46.391 -23.179 5.698 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 982 46.777 -22.591 6.374 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 982 46.567 -22.719 4.858 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 983 50.297 -23.503 2.188 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 983 50.589 -23.395 1.258 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 983 50.924 -22.975 2.692 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 984 38.727 -11.548 1.092 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 984 38.315 -12.395 1.386 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 984 39.606 -11.546 1.544 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 985 46.873 -21.248 3.732 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 985 47.825 -21.091 3.730 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 985 46.492 -20.420 4.103 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 986 43.701 -11.070 1.307 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 986 43.246 -10.203 1.290 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 986 44.600 -10.873 0.954 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 987 38.997 -0.622 -46.566 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 987 39.715 -1.278 -46.515 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 987 39.315 0.118 -46.036 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 988 45.620 -1.876 -44.498 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 988 45.414 -1.308 -45.273 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 988 44.829 -2.448 -44.411 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 989 36.479 -1.724 -46.652 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 989 37.283 -1.172 -46.767 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 989 36.782 -2.630 -46.871 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 990 45.322 0.109 -39.212 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 990 45.473 0.640 -38.420 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 990 46.201 -0.263 -39.417 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 991 43.405 -3.596 -44.668 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 991 42.992 -3.715 -43.787 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 991 43.815 -4.467 -44.859 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 992 49.902 -6.251 -42.057 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 992 48.999 -6.264 -41.666 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 992 50.437 -6.801 -41.446 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 993 44.623 -6.073 -44.728 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 993 44.239 -6.729 -44.104 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 993 45.562 -5.996 -44.446 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 994 48.019 -0.695 -39.766 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 994 48.587 -1.440 -39.492 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 994 47.769 -0.915 -40.689 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 995 48.209 9.460 -36.951 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 995 48.641 10.307 -36.828 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 995 48.701 8.849 -36.366 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 996 41.346 2.458 -40.663 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 996 41.293 2.933 -39.804 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 996 41.617 1.555 -40.418 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 997 39.261 4.379 -41.208 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 997 39.940 3.681 -41.255 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 997 38.699 4.217 -41.972 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 998 52.718 -2.669 -40.524 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 998 52.655 -1.724 -40.688 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 998 52.007 -3.056 -41.075 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 999 41.307 3.628 -38.134 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 999 41.352 3.358 -37.188 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 999 42.083 4.224 -38.246 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1000 44.873 -9.878 -37.866 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1000 44.447 -9.742 -37.014 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1000 45.424 -10.684 -37.732 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1001 49.459 -3.239 -39.607 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1001 49.817 -3.207 -40.520 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1001 49.927 -3.998 -39.199 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1002 41.598 -0.031 -44.607 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1002 42.164 0.642 -44.176 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1002 41.150 -0.477 -43.856 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1003 44.417 -0.786 -46.714 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1003 44.211 -1.300 -47.528 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1003 43.562 -0.448 -46.430 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1004 40.570 -1.075 -42.292 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1004 41.268 -1.053 -41.609 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1004 40.111 -1.927 -42.144 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1005 41.346 -2.280 -46.085 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1005 42.098 -2.832 -45.780 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1005 41.480 -1.426 -45.620 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1006 47.310 -1.709 -42.246 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1006 46.628 -1.678 -42.953 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1006 48.122 -1.940 -42.714 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1007 47.583 -3.561 -45.549 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1007 46.884 -2.917 -45.317 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1007 47.400 -4.328 -44.968 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1008 43.352 -2.174 -48.807 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1008 42.575 -1.960 -49.325 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1008 43.287 -3.148 -48.668 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1009 41.707 3.087 -35.474 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1009 41.248 2.773 -34.670 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1009 42.233 3.854 -35.164 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1010 42.710 -4.802 -48.540 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1010 43.082 -5.603 -48.123 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1010 41.773 -4.803 -48.268 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1011 50.020 -3.112 -46.631 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1011 49.141 -3.290 -46.219 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1011 49.827 -3.025 -47.568 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1012 45.557 4.944 -36.394 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1012 46.368 4.410 -36.535 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1012 45.895 5.858 -36.249 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1013 51.652 -2.895 -44.452 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1013 51.071 -2.995 -45.243 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1013 52.483 -2.573 -44.810 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1014 46.816 -3.675 -40.258 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1014 47.666 -3.476 -39.821 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1014 46.693 -2.938 -40.884 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1015 50.590 -3.554 -42.064 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1015 50.390 -4.514 -42.140 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1015 50.944 -3.311 -42.954 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1016 37.389 5.185 -36.202 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1016 37.667 4.318 -35.835 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1016 37.787 5.199 -37.100 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1017 43.514 4.911 -34.514 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1017 44.135 4.825 -35.266 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1017 43.712 5.808 -34.148 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1018 42.813 -0.141 -40.612 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1018 43.102 0.217 -41.469 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1018 43.639 -0.187 -40.082 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1019 47.772 3.190 -36.436 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1019 47.185 2.420 -36.277 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1019 48.393 2.868 -37.126 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1020 42.903 1.673 -42.871 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1020 43.615 2.318 -42.922 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1020 42.260 2.073 -42.248 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1021 50.724 -0.149 -36.428 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1021 50.456 -0.321 -35.506 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1021 51.353 0.604 -36.353 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1022 49.073 1.426 -38.119 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1022 49.628 0.837 -37.572 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1022 48.672 0.829 -38.778 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1023 51.782 -2.647 -36.740 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1023 51.447 -1.720 -36.767 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1023 50.987 -3.185 -36.842 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1024 38.476 0.812 -42.552 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1024 37.973 0.257 -43.191 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1024 39.305 0.318 -42.411 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1025 55.899 -5.333 -37.592 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1025 56.255 -5.568 -38.470 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1025 55.028 -4.932 -37.789 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1026 37.457 -3.731 -44.234 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1026 37.923 -2.906 -44.012 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1026 36.663 -3.716 -43.654 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1027 36.936 -0.890 -43.994 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1027 36.621 -1.123 -44.888 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1027 36.134 -0.940 -43.434 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1028 51.128 -5.392 -39.119 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1028 51.301 -6.231 -39.583 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1028 52.012 -5.091 -38.832 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1029 43.462 5.268 -38.197 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1029 43.508 6.214 -38.357 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1029 44.225 5.085 -37.611 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1030 53.476 -9.714 -40.302 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1030 53.773 -10.452 -39.740 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1030 54.309 -9.256 -40.549 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1031 46.697 -7.062 -47.638 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1031 47.001 -6.151 -47.543 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1031 47.383 -7.485 -48.210 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1032 38.812 -5.755 -49.508 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1032 39.459 -5.242 -48.980 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1032 38.054 -5.167 -49.588 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1033 43.897 -6.932 -47.209 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1033 44.095 -6.571 -46.317 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1033 44.779 -7.099 -47.597 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1034 51.277 4.646 -26.539 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1034 51.875 3.899 -26.298 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1034 50.704 4.766 -25.741 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1035 32.531 -0.467 -27.475 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1035 33.125 -1.196 -27.218 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1035 32.923 -0.129 -28.312 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1036 46.948 5.031 -25.924 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1036 47.747 5.285 -25.414 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1036 46.648 5.867 -26.338 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1037 48.853 4.492 -27.933 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1037 49.709 4.471 -27.464 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1037 48.188 4.512 -27.217 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1038 37.685 6.887 -29.246 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1038 38.438 6.359 -28.934 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1038 37.479 6.514 -30.130 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1039 55.344 9.199 -24.994 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1039 54.849 8.925 -25.770 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1039 55.156 8.497 -24.327 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1040 48.649 8.512 -27.044 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1040 48.550 9.075 -26.265 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1040 49.505 8.054 -26.900 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1041 51.132 7.401 -26.512 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1041 51.752 7.788 -27.174 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1041 51.144 6.440 -26.709 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1042 49.020 4.686 -30.689 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1042 49.095 4.794 -29.717 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1042 48.122 4.339 -30.815 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1043 43.229 3.760 -29.299 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1043 43.416 2.817 -29.242 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1043 43.187 3.938 -30.269 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1044 49.643 7.994 -24.201 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1044 49.428 7.030 -24.264 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1044 50.378 8.108 -24.829 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1045 50.359 8.548 -19.024 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1045 50.123 8.007 -19.810 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1045 50.484 7.894 -18.308 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1046 51.066 0.172 -33.584 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1046 51.527 0.920 -34.000 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1046 50.943 0.450 -32.656 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1047 48.764 7.832 -29.770 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1047 48.756 8.209 -28.871 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1047 48.080 7.136 -29.741 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1048 55.068 8.094 -16.926 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1048 55.842 7.760 -17.419 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1048 55.060 7.556 -16.098 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1049 47.147 6.836 -21.560 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1049 48.070 7.060 -21.332 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1049 47.068 5.902 -21.338 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1050 43.285 10.115 -28.129 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1050 42.900 9.372 -27.610 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1050 43.494 9.723 -28.982 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1051 52.363 1.845 -35.516 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1051 53.278 1.538 -35.331 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1051 52.336 2.750 -35.150 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1052 52.894 9.599 -16.467 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1052 53.233 10.475 -16.752 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1052 53.672 9.003 -16.564 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1053 46.554 6.025 -29.641 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1053 46.213 6.351 -28.782 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1053 46.482 5.050 -29.573 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1054 51.391 5.464 -31.639 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1054 50.511 5.104 -31.365 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1054 51.906 5.483 -30.809 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1055 54.294 2.789 -32.717 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1055 54.446 2.051 -33.344 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1055 53.588 3.317 -33.139 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1056 39.361 5.835 -27.244 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1056 39.612 6.684 -26.817 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1056 38.553 5.566 -26.773 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1057 44.273 4.664 -24.422 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1057 44.431 4.958 -23.501 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1057 45.154 4.672 -24.833 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1058 49.649 7.525 -32.337 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1058 49.410 7.819 -31.427 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1058 50.378 6.888 -32.195 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1059 51.142 16.060 -24.995 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1059 51.730 16.591 -25.533 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1059 51.676 15.796 -24.244 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1060 52.821 8.036 -28.529 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1060 52.864 8.493 -29.375 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1060 52.782 7.081 -28.773 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1061 41.591 8.468 -23.137 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1061 42.179 8.307 -22.357 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1061 41.066 9.246 -22.884 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1062 46.524 7.485 -36.014 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1062 46.677 8.260 -36.590 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1062 47.364 7.394 -35.519 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1063 46.942 6.607 -32.327 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1063 47.867 6.914 -32.304 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1063 46.728 6.420 -31.388 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1064 49.415 4.763 -34.746 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1064 48.862 4.743 -33.954 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1064 48.922 4.217 -35.397 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1065 44.764 7.186 -33.877 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1065 45.456 7.024 -33.199 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1065 45.266 7.475 -34.661 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1066 53.954 11.265 -22.088 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1066 54.876 10.995 -22.290 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1066 53.616 11.596 -22.927 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1067 37.184 8.360 -27.020 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1067 37.294 7.894 -27.886 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1067 37.771 9.154 -27.104 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1068 39.810 9.406 -20.649 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1068 40.610 9.192 -20.128 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1068 39.141 9.632 -19.969 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1069 42.918 3.841 -32.031 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1069 42.129 3.370 -32.360 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1069 43.257 4.312 -32.816 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1070 49.152 7.576 -35.050 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1070 49.311 7.777 -34.100 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1070 49.468 6.657 -35.150 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1071 37.454 6.857 -34.078 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1071 37.805 7.699 -34.383 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1071 37.493 6.278 -34.876 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1072 38.968 10.399 -27.269 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1072 39.122 11.036 -27.970 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1072 39.766 10.473 -26.698 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1073 52.612 8.881 -21.737 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1073 52.968 9.782 -21.592 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1073 53.318 8.428 -22.240 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1074 52.500 5.390 -29.013 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1074 52.125 4.945 -28.229 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1074 53.170 4.747 -29.357 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1075 54.227 3.634 -30.074 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1075 54.197 3.330 -31.005 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1075 54.906 3.067 -29.660 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1076 53.149 2.643 -25.987 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1076 52.975 1.978 -25.298 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1076 53.974 3.086 -25.694 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1077 52.376 6.202 -24.030 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1077 51.661 5.684 -23.583 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1077 51.988 6.454 -24.880 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1078 52.080 4.143 -33.958 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1078 51.249 4.350 -34.429 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1078 51.995 4.629 -33.109 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1079 54.748 0.835 -34.647 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1079 55.729 0.889 -34.567 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1079 54.587 -0.072 -34.998 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1080 53.481 -4.107 -38.344 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1080 53.408 -3.608 -39.191 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1080 52.983 -3.558 -37.703 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1081 54.200 -1.626 -35.712 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1081 53.314 -1.942 -35.974 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1081 54.805 -2.243 -36.135 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1082 45.391 8.555 -22.694 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1082 44.555 8.426 -22.189 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1082 46.000 7.880 -22.315 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1083 50.027 10.906 -21.479 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1083 50.704 10.264 -21.731 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1083 49.224 10.612 -21.965 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1084 39.641 10.523 -23.361 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1084 38.749 10.288 -23.691 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1084 39.513 10.668 -22.409 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1085 44.003 11.436 -25.862 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1085 43.729 11.132 -26.760 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1085 44.531 12.223 -26.029 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1086 47.958 9.761 -22.861 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1086 47.031 9.455 -22.821 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1086 48.414 9.079 -23.392 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1087 49.928 7.176 -21.387 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1087 50.092 6.253 -21.711 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1087 50.009 7.724 -22.190 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1088 57.270 13.130 -22.371 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1088 58.059 13.294 -22.892 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1088 57.028 12.200 -22.585 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1089 42.649 7.964 -26.614 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1089 43.495 8.146 -26.147 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1089 42.738 7.036 -26.925 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1090 42.161 5.354 -27.218 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1090 41.224 5.372 -27.497 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1090 42.614 4.841 -27.928 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1091 46.214 7.329 -27.203 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1091 45.692 7.882 -26.582 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1091 47.071 7.801 -27.277 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1092 40.684 4.989 -6.736 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1092 40.558 4.519 -5.883 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1092 41.097 5.838 -6.473 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1093 42.856 4.592 -10.495 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1093 43.246 4.387 -9.621 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1093 42.099 5.169 -10.283 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1094 40.426 3.584 -11.318 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1094 41.396 3.703 -11.308 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1094 40.087 4.386 -10.883 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1095 40.052 -2.647 -13.811 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1095 40.135 -2.135 -12.983 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1095 39.107 -2.634 -13.998 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1096 42.116 6.619 -5.085 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1096 43.021 6.705 -4.717 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1096 41.716 5.888 -4.564 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1097 38.813 4.115 -17.016 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1097 39.746 4.341 -16.970 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1097 38.779 3.358 -17.647 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1098 54.189 8.810 -2.344 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1098 53.956 9.364 -3.117 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1098 53.320 8.537 -1.977 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1099 45.334 2.017 -3.613 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1099 44.445 1.603 -3.685 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1099 45.951 1.301 -3.855 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1100 43.504 1.986 -6.444 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1100 42.902 1.509 -7.061 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1100 43.198 1.716 -5.554 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1101 42.132 4.580 -1.662 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1101 42.199 4.861 -0.747 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1101 43.065 4.534 -1.969 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1102 54.879 6.787 -14.582 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1102 55.442 7.282 -13.956 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1102 54.304 6.238 -14.008 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1103 40.483 8.625 -9.250 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1103 40.637 8.609 -8.272 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1103 39.859 9.353 -9.379 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1104 56.741 10.095 -2.515 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1104 55.913 9.901 -2.045 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1104 57.071 9.220 -2.779 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1105 44.276 8.976 -2.183 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1105 43.830 9.784 -2.473 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1105 45.225 9.180 -2.285 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1106 50.754 2.960 -3.392 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1106 50.309 2.100 -3.527 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1106 50.786 3.355 -4.283 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1107 40.804 4.419 -4.032 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1107 41.216 4.417 -3.136 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1107 39.945 3.954 -3.901 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1108 46.495 5.515 -0.761 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1108 46.430 5.923 0.105 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1108 47.459 5.349 -0.877 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1109 41.789 0.958 -8.308 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1109 41.017 1.548 -8.187 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1109 41.646 0.554 -9.170 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1110 41.128 -10.372 -9.913 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1110 41.543 -9.546 -9.642 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1110 41.743 -10.742 -10.588 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1111 43.182 4.391 -7.774 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1111 42.324 4.623 -7.381 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1111 43.478 3.614 -7.257 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1112 40.642 -0.574 -0.546 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1112 40.358 0.218 -0.080 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1112 41.179 -1.064 0.119 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1113 50.779 7.567 -6.037 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1113 51.525 7.033 -5.689 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1113 51.108 8.486 -6.002 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1114 56.376 7.381 -3.372 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1114 55.545 7.734 -2.987 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1114 56.383 6.436 -3.103 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1115 45.431 8.473 -5.753 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1115 46.320 8.745 -5.462 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1115 45.109 7.889 -5.034 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1116 48.200 9.192 -5.252 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1116 48.691 8.401 -5.559 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1116 48.316 9.840 -5.977 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1117 58.146 8.488 -15.708 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1117 57.805 8.178 -16.570 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1117 58.895 7.900 -15.528 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1118 40.204 -0.767 -3.207 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1118 40.963 -1.190 -3.638 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1118 40.421 -0.800 -2.245 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1119 40.946 8.570 -6.572 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1119 41.117 9.389 -6.096 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1119 41.410 7.883 -6.040 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1120 47.504 0.373 -4.690 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1120 47.569 -0.576 -4.871 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1120 48.225 0.543 -4.047 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1121 50.298 2.498 -0.735 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1121 50.535 2.690 -1.667 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1121 51.146 2.439 -0.282 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1122 55.945 13.845 -5.539 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1122 56.076 13.661 -6.495 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1122 55.309 14.563 -5.522 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1123 51.116 7.447 -16.562 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1123 51.634 8.265 -16.415 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1123 50.549 7.375 -15.772 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1124 49.033 12.711 -3.956 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1124 49.673 11.993 -4.022 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1124 49.064 13.140 -4.833 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1125 42.773 1.022 -3.945 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1125 41.951 1.195 -3.465 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1125 42.724 0.066 -4.166 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1126 45.837 4.021 -5.441 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1126 45.632 3.458 -4.666 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1126 45.444 4.874 -5.225 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1127 44.726 4.455 -2.474 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1127 45.427 4.762 -1.845 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1127 45.003 3.544 -2.716 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1128 42.566 -1.591 -4.750 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1128 43.047 -2.429 -4.545 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1128 41.919 -1.859 -5.440 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1129 49.172 5.070 -0.789 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1129 49.362 4.136 -0.579 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1129 49.999 5.396 -1.181 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1130 52.886 5.962 -5.323 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1130 52.385 5.159 -5.556 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1130 53.821 5.722 -5.509 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1131 44.971 -3.356 -2.384 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1131 44.438 -3.657 -3.158 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1131 45.837 -3.156 -2.762 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1132 42.101 -1.834 1.356 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1132 42.135 -2.188 2.248 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1132 42.910 -2.196 0.922 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1133 49.450 0.472 -2.727 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1133 49.488 0.932 -1.871 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1133 49.431 -0.483 -2.485 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1134 48.510 -4.953 -1.180 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1134 49.044 -5.511 -0.574 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1134 47.658 -5.434 -1.259 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1135 37.872 0.648 -2.952 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1135 38.706 0.142 -3.090 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1135 37.342 0.077 -2.390 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1136 46.990 -7.754 -4.538 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1136 47.641 -7.581 -5.238 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1136 46.367 -6.992 -4.596 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1137 44.376 -2.788 0.229 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1137 45.271 -2.572 0.502 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1137 44.462 -3.003 -0.727 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1138 41.975 9.113 -18.892 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1138 42.217 10.062 -18.893 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1138 42.556 8.714 -19.581 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1139 39.922 12.851 -14.168 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1139 39.455 11.992 -14.201 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1139 39.995 13.047 -13.216 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1140 40.059 10.563 -11.658 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1140 39.512 10.443 -12.465 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1140 40.561 9.742 -11.589 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1141 52.713 13.623 -8.797 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1141 53.221 14.457 -8.697 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1141 53.378 12.978 -9.129 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1142 56.309 11.200 -4.971 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1142 56.338 12.181 -5.010 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1142 56.620 10.983 -4.062 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1143 53.732 10.651 -4.355 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1143 54.642 10.666 -4.734 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1143 53.589 11.557 -4.056 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1144 39.065 1.386 -10.552 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1144 39.544 2.146 -10.962 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1144 38.967 1.649 -9.619 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1145 55.364 4.963 -5.967 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1145 55.980 4.218 -6.124 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1145 55.944 5.755 -5.975 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1146 55.439 -0.796 -4.227 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1146 56.135 -1.452 -4.109 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1146 54.681 -1.311 -4.581 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1147 38.402 3.150 -3.899 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1147 38.253 2.235 -3.564 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1147 37.538 3.566 -3.837 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1148 44.969 -0.611 -5.848 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1148 45.565 -1.361 -5.693 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1148 44.092 -0.942 -5.583 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1149 39.792 -1.162 -11.422 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1149 39.520 -1.740 -10.703 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1149 39.532 -0.268 -11.122 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1150 52.144 -5.753 -1.875 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1150 52.954 -5.692 -2.397 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1150 51.438 -5.505 -2.503 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1151 37.735 -6.233 -7.852 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1151 37.548 -5.474 -7.255 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1151 38.349 -5.877 -8.499 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1152 44.514 6.808 -3.810 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1152 44.619 5.971 -3.305 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1152 44.337 7.486 -3.116 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1153 46.856 9.623 -2.941 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1153 47.445 9.275 -2.261 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1153 47.375 9.532 -3.776 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1154 46.592 13.559 -3.113 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1154 46.710 14.103 -2.326 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1154 47.499 13.215 -3.308 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1155 50.365 -9.399 -0.546 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1155 49.610 -9.236 -1.161 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1155 50.966 -9.984 -1.063 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1156 43.892 12.388 -5.973 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1156 43.885 11.560 -6.512 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1156 44.077 12.075 -5.059 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1157 48.399 11.030 -7.397 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1157 48.707 11.915 -7.114 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1157 47.567 11.211 -7.862 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1158 50.504 9.448 -8.440 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1158 49.687 9.915 -8.186 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1158 51.098 9.578 -7.675 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1159 51.716 10.147 -6.095 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1159 51.584 11.114 -6.235 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1159 52.479 10.102 -5.476 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1160 42.032 13.964 -7.327 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1160 42.693 13.447 -6.818 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1160 41.539 14.443 -6.655 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1161 43.208 8.590 -9.568 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1161 43.441 7.694 -9.834 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1161 42.231 8.598 -9.579 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1162 43.870 10.077 -7.348 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1162 43.659 9.581 -8.168 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1162 44.411 9.447 -6.819 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1163 39.512 -4.745 -4.371 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1163 39.083 -4.744 -3.498 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1163 40.358 -5.213 -4.214 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1164 41.938 -5.560 -3.297 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1164 42.336 -6.454 -3.401 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1164 42.590 -4.960 -3.730 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1165 49.715 -7.269 2.615 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1165 50.360 -6.798 3.148 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1165 49.933 -7.011 1.690 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1166 51.698 5.317 -2.221 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1166 52.507 5.508 -2.722 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1166 51.367 4.483 -2.612 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1167 45.935 -5.941 -1.836 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1167 45.822 -6.027 -2.806 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1167 45.389 -5.170 -1.606 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1168 51.616 8.029 -1.728 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1168 51.611 7.052 -1.696 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1168 50.928 8.247 -2.361 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1169 49.281 -2.299 -2.169 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1169 49.910 -2.723 -2.767 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1169 48.907 -3.040 -1.656 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1170 49.114 17.845 -14.374 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1170 49.995 17.639 -14.750 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1170 48.503 17.260 -14.869 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1171 44.916 8.869 -25.347 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1171 45.111 8.710 -24.391 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1171 44.647 9.813 -25.382 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1172 51.308 12.860 -17.113 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1172 50.878 12.276 -17.784 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1172 50.549 13.211 -16.582 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1173 47.325 11.378 -17.954 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1173 47.020 10.733 -18.605 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1173 48.283 11.486 -18.157 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1174 49.223 13.716 -15.638 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1174 48.501 13.101 -15.397 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1174 48.785 14.593 -15.667 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1175 55.492 15.975 -19.720 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1175 55.118 15.149 -20.111 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1175 56.406 15.979 -20.017 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1176 54.933 13.632 -20.954 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1176 55.785 13.467 -21.414 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1176 54.438 12.800 -21.065 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1177 42.464 11.853 -18.930 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1177 43.312 12.122 -18.497 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1177 42.515 12.249 -19.807 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1178 49.292 16.361 -18.018 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1178 50.216 16.132 -17.791 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1178 49.266 16.313 -18.977 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1179 49.941 11.206 -18.801 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1179 49.990 11.352 -19.776 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1179 50.129 10.243 -18.701 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1180 54.269 15.932 -8.675 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1180 55.129 15.605 -8.977 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1180 53.950 16.498 -9.417 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1181 46.556 15.760 -7.882 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1181 46.691 14.939 -8.398 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1181 46.253 15.439 -7.009 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1182 51.443 12.789 -6.427 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1182 51.953 13.128 -7.187 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1182 50.594 13.264 -6.476 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1183 46.822 13.147 -8.910 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1183 45.848 13.123 -9.027 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1183 47.170 12.927 -9.785 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1184 51.907 11.385 -14.598 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1184 52.174 10.627 -15.158 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1184 51.488 12.001 -15.219 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1185 42.099 14.956 -9.910 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1185 41.509 14.387 -10.449 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1185 41.879 14.722 -8.982 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1186 44.867 11.495 -3.570 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1186 45.341 12.305 -3.290 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1186 45.533 10.786 -3.469 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1187 47.012 12.137 -15.323 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1187 46.128 12.558 -15.305 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1187 47.082 11.765 -16.230 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1188 47.308 19.308 -10.864 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1188 47.292 20.080 -11.438 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1188 48.143 18.852 -11.096 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1189 49.287 16.020 -7.942 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1189 48.357 16.314 -7.861 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1189 49.773 16.566 -7.278 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1190 47.704 16.033 -15.846 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1190 46.753 16.263 -15.955 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1190 48.103 16.229 -16.725 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1191 43.717 16.381 -11.586 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1191 43.017 15.992 -11.016 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1191 44.302 16.857 -10.953 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1192 48.805 13.685 -6.549 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1192 47.832 13.731 -6.397 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1192 48.997 14.480 -7.094 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1193 45.587 17.396 -9.914 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1193 46.082 18.230 -10.082 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1193 45.844 17.141 -9.005 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1194 44.578 13.516 -15.243 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1194 44.984 14.135 -14.599 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1194 43.622 13.756 -15.233 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1195 51.488 16.021 -12.400 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1195 52.207 15.355 -12.418 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1195 51.321 16.216 -13.349 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1196 49.407 17.709 -11.733 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1196 50.171 17.099 -11.774 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1196 49.227 17.927 -12.683 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1197 55.184 17.771 -17.737 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1197 54.996 18.577 -18.223 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1197 55.264 17.080 -18.437 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1198 46.144 13.993 -5.784 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1198 46.241 13.918 -4.813 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1198 45.349 13.452 -5.987 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1199 47.570 15.797 -10.982 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1199 48.210 16.499 -11.225 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1199 46.826 16.286 -10.570 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1200 45.062 16.686 -15.677 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1200 45.084 16.249 -14.806 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1200 44.253 17.202 -15.664 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1201 50.718 17.268 -6.011 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1201 50.614 17.879 -5.277 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1201 51.685 17.093 -6.043 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1202 44.149 13.160 -9.494 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1202 43.698 12.585 -8.858 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1202 43.513 13.895 -9.643 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1203 53.048 17.421 -10.653 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1203 52.454 16.913 -11.246 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1203 52.509 18.164 -10.359 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1204 51.925 15.528 -17.509 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1204 52.803 15.568 -17.912 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1204 51.766 14.567 -17.376 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1205 51.575 16.866 -15.073 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1205 52.478 17.166 -14.853 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1205 51.675 16.422 -15.942 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1206 53.464 16.967 -6.223 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1206 53.721 16.581 -7.087 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1206 54.218 17.507 -5.971 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1207 53.935 12.133 -16.746 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1207 53.035 12.449 -16.967 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1207 54.438 12.959 -16.551 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1208 41.984 14.372 -14.996 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1208 41.252 13.775 -14.726 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1208 41.577 15.242 -15.027 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1209 47.556 11.275 -12.802 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1209 47.445 11.418 -13.767 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1209 46.777 11.719 -12.404 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1210 41.140 13.054 -11.653 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1210 41.936 12.883 -12.171 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1210 40.773 12.161 -11.473 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1211 40.029 12.169 -17.670 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1211 40.902 12.029 -18.102 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1211 40.249 12.541 -16.805 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1212 45.453 15.290 -13.281 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1212 46.294 15.657 -12.961 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1212 44.768 15.704 -12.693 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1213 44.819 12.691 -17.883 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1213 45.750 12.407 -17.946 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1213 44.748 13.084 -16.989 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1214 45.825 13.007 -11.663 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1214 45.138 13.039 -10.963 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1214 45.586 13.736 -12.267 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1215 55.896 -25.567 -1.548 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1215 56.345 -25.368 -0.697 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1215 56.503 -25.206 -2.229 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1216 53.020 -28.523 -3.611 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1216 53.842 -27.995 -3.681 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1216 53.306 -29.425 -3.768 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1217 54.223 -14.202 -41.939 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1217 53.940 -15.027 -42.361 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1217 53.382 -13.746 -41.727 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1218 57.323 -6.363 -39.783 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1218 57.427 -7.202 -39.285 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1218 58.203 -5.975 -39.781 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1219 55.098 -11.730 -38.948 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1219 55.578 -11.416 -38.148 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1219 55.611 -12.511 -39.244 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1220 56.442 -20.515 -32.075 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1220 57.351 -20.686 -32.336 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1220 56.285 -19.581 -32.347 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1221 53.514 -21.388 -36.269 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1221 53.735 -21.139 -35.344 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1221 53.271 -22.313 -36.209 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1222 57.872 -6.872 -36.439 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1222 57.841 -6.891 -35.478 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1222 57.157 -6.247 -36.692 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1223 56.774 -14.870 -24.580 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1223 57.018 -14.163 -23.936 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1223 56.396 -14.391 -25.333 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1224 57.726 -15.868 -32.194 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1224 57.428 -15.320 -31.428 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1224 58.038 -15.220 -32.836 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1225 56.898 -14.323 -30.109 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1225 57.636 -13.917 -29.596 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1225 56.146 -13.709 -29.961 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1226 56.935 -19.575 -26.540 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1226 56.231 -18.923 -26.751 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1226 57.060 -20.065 -27.377 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1227 64.069 -12.991 -22.363 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1227 63.459 -12.254 -22.559 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1227 64.625 -12.649 -21.631 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1228 59.940 -17.840 -28.317 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1228 59.590 -18.313 -27.555 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1228 60.371 -17.044 -27.929 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1229 60.196 -12.690 -23.763 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1229 59.313 -12.596 -23.346 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1229 60.159 -13.563 -24.197 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1230 61.183 -13.026 -27.883 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1230 61.222 -12.692 -28.813 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1230 61.808 -12.469 -27.406 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1231 65.174 -11.841 -20.104 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1231 65.862 -12.063 -19.475 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1231 64.474 -11.425 -19.556 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1232 59.440 -8.922 -22.196 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1232 59.099 -8.634 -23.055 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1232 58.961 -9.768 -22.022 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1233 58.956 -10.837 -31.467 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1233 58.199 -10.642 -32.060 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1233 58.659 -10.519 -30.590 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1234 56.522 -10.379 -32.660 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1234 56.223 -11.302 -32.787 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1234 55.867 -9.995 -32.036 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1235 59.696 -17.920 -23.883 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1235 59.858 -17.903 -22.907 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1235 60.274 -18.619 -24.205 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1236 56.977 -15.768 -21.361 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1236 57.304 -14.950 -21.793 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1236 56.216 -16.045 -21.923 1.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1237 58.036 -17.961 -30.245 1.00 0.00 WAT1 ATOM 5753 H1 TIP3 1237 58.817 -17.885 -29.645 1.00 0.00 WAT1 ATOM 5754 H2 TIP3 1237 58.184 -17.272 -30.919 1.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1238 59.501 -15.279 -24.609 1.00 0.00 WAT1 ATOM 5756 H1 TIP3 1238 58.532 -15.160 -24.708 1.00 0.00 WAT1 ATOM 5757 H2 TIP3 1238 59.598 -16.223 -24.353 1.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1239 58.456 -12.888 -28.442 1.00 0.00 WAT1 ATOM 5759 H1 TIP3 1239 59.375 -12.997 -28.135 1.00 0.00 WAT1 ATOM 5760 H2 TIP3 1239 58.370 -11.923 -28.604 1.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1240 62.520 -15.215 -22.139 1.00 0.00 WAT1 ATOM 5762 H1 TIP3 1240 62.709 -15.656 -22.973 1.00 0.00 WAT1 ATOM 5763 H2 TIP3 1240 63.108 -14.420 -22.149 1.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1241 61.199 -11.917 -30.377 1.00 0.00 WAT1 ATOM 5765 H1 TIP3 1241 61.814 -11.832 -31.108 1.00 0.00 WAT1 ATOM 5766 H2 TIP3 1241 60.344 -11.589 -30.745 1.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1242 53.254 -17.150 -33.085 1.00 0.00 WAT1 ATOM 5768 H1 TIP3 1242 52.780 -16.288 -33.048 1.00 0.00 WAT1 ATOM 5769 H2 TIP3 1242 52.745 -17.669 -33.752 1.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1243 59.967 -17.912 -21.187 1.00 0.00 WAT1 ATOM 5771 H1 TIP3 1243 59.075 -18.217 -20.926 1.00 0.00 WAT1 ATOM 5772 H2 TIP3 1243 60.256 -17.362 -20.447 1.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1244 57.394 -9.676 -24.077 1.00 0.00 WAT1 ATOM 5774 H1 TIP3 1244 57.544 -10.312 -23.336 1.00 0.00 WAT1 ATOM 5775 H2 TIP3 1244 57.426 -10.225 -24.870 1.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1245 55.723 -13.014 -33.115 1.00 0.00 WAT1 ATOM 5777 H1 TIP3 1245 55.460 -13.213 -34.042 1.00 0.00 WAT1 ATOM 5778 H2 TIP3 1245 55.408 -13.791 -32.602 1.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1246 54.629 -13.274 -35.584 1.00 0.00 WAT1 ATOM 5780 H1 TIP3 1246 54.446 -14.066 -36.120 1.00 0.00 WAT1 ATOM 5781 H2 TIP3 1246 53.877 -12.676 -35.782 1.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1247 54.715 -9.341 -30.802 1.00 0.00 WAT1 ATOM 5783 H1 TIP3 1247 53.996 -8.735 -30.549 1.00 0.00 WAT1 ATOM 5784 H2 TIP3 1247 55.080 -9.650 -29.940 1.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1248 63.364 -10.871 -18.248 1.00 0.00 WAT1 ATOM 5786 H1 TIP3 1248 63.744 -10.704 -17.362 1.00 0.00 WAT1 ATOM 5787 H2 TIP3 1248 62.518 -10.371 -18.245 1.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1249 62.032 -11.085 -22.471 1.00 0.00 WAT1 ATOM 5789 H1 TIP3 1249 61.616 -11.230 -21.604 1.00 0.00 WAT1 ATOM 5790 H2 TIP3 1249 61.438 -11.551 -23.100 1.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1250 60.052 -14.438 -21.150 1.00 0.00 WAT1 ATOM 5792 H1 TIP3 1250 60.882 -14.777 -21.552 1.00 0.00 WAT1 ATOM 5793 H2 TIP3 1250 59.461 -14.287 -21.911 1.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1251 58.393 -15.348 -19.043 1.00 0.00 WAT1 ATOM 5795 H1 TIP3 1251 59.179 -14.970 -19.476 1.00 0.00 WAT1 ATOM 5796 H2 TIP3 1251 57.772 -15.512 -19.782 1.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1252 55.924 -17.644 -18.503 1.00 0.00 WAT1 ATOM 5798 H1 TIP3 1252 56.499 -18.021 -19.194 1.00 0.00 WAT1 ATOM 5799 H2 TIP3 1252 56.542 -17.179 -17.905 1.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1253 57.345 -8.734 -38.354 1.00 0.00 WAT1 ATOM 5801 H1 TIP3 1253 57.620 -8.136 -37.620 1.00 0.00 WAT1 ATOM 5802 H2 TIP3 1253 57.077 -9.558 -37.897 1.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1254 56.624 -6.046 -26.088 1.00 0.00 WAT1 ATOM 5804 H1 TIP3 1254 56.360 -6.427 -25.229 1.00 0.00 WAT1 ATOM 5805 H2 TIP3 1254 56.591 -6.812 -26.707 1.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1255 53.615 -16.621 -17.489 1.00 0.00 WAT1 ATOM 5807 H1 TIP3 1255 54.347 -17.174 -17.856 1.00 0.00 WAT1 ATOM 5808 H2 TIP3 1255 53.612 -15.838 -18.050 1.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1256 55.339 -16.812 -23.212 1.00 0.00 WAT1 ATOM 5810 H1 TIP3 1256 55.719 -17.670 -23.486 1.00 0.00 WAT1 ATOM 5811 H2 TIP3 1256 55.668 -16.182 -23.883 1.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1257 60.845 -15.639 -26.983 1.00 0.00 WAT1 ATOM 5813 H1 TIP3 1257 60.417 -15.436 -26.128 1.00 0.00 WAT1 ATOM 5814 H2 TIP3 1257 60.993 -14.762 -27.391 1.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1258 62.157 -8.331 -21.832 1.00 0.00 WAT1 ATOM 5816 H1 TIP3 1258 61.209 -8.463 -22.021 1.00 0.00 WAT1 ATOM 5817 H2 TIP3 1258 62.563 -9.185 -22.067 1.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1259 62.006 -13.235 -18.649 1.00 0.00 WAT1 ATOM 5819 H1 TIP3 1259 61.258 -12.743 -19.023 1.00 0.00 WAT1 ATOM 5820 H2 TIP3 1259 62.628 -12.539 -18.363 1.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1260 58.231 -10.157 -28.890 1.00 0.00 WAT1 ATOM 5822 H1 TIP3 1260 57.249 -10.193 -28.749 1.00 0.00 WAT1 ATOM 5823 H2 TIP3 1260 58.486 -9.307 -28.514 1.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1261 52.207 -12.164 -36.247 1.00 0.00 WAT1 ATOM 5825 H1 TIP3 1261 51.664 -11.462 -35.840 1.00 0.00 WAT1 ATOM 5826 H2 TIP3 1261 51.745 -13.001 -35.993 1.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1262 56.355 -10.772 -36.710 1.00 0.00 WAT1 ATOM 5828 H1 TIP3 1262 55.583 -10.224 -36.423 1.00 0.00 WAT1 ATOM 5829 H2 TIP3 1262 56.582 -11.288 -35.925 1.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1263 56.837 -11.575 -10.629 1.00 0.00 WAT1 ATOM 5831 H1 TIP3 1263 57.421 -12.330 -10.422 1.00 0.00 WAT1 ATOM 5832 H2 TIP3 1263 56.230 -11.534 -9.879 1.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1264 54.595 -14.471 -9.617 1.00 0.00 WAT1 ATOM 5834 H1 TIP3 1264 54.653 -15.238 -10.224 1.00 0.00 WAT1 ATOM 5835 H2 TIP3 1264 54.078 -13.804 -10.126 1.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1265 54.850 -16.377 -11.579 1.00 0.00 WAT1 ATOM 5837 H1 TIP3 1265 55.667 -15.964 -11.941 1.00 0.00 WAT1 ATOM 5838 H2 TIP3 1265 54.509 -16.916 -12.315 1.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1266 60.132 -14.185 -11.848 1.00 0.00 WAT1 ATOM 5840 H1 TIP3 1266 60.201 -15.126 -12.108 1.00 0.00 WAT1 ATOM 5841 H2 TIP3 1266 59.680 -13.754 -12.613 1.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1267 59.054 -18.560 -7.334 1.00 0.00 WAT1 ATOM 5843 H1 TIP3 1267 59.247 -18.846 -6.420 1.00 0.00 WAT1 ATOM 5844 H2 TIP3 1267 58.808 -19.386 -7.792 1.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1268 62.241 -12.378 -12.350 1.00 0.00 WAT1 ATOM 5846 H1 TIP3 1268 61.678 -13.062 -11.938 1.00 0.00 WAT1 ATOM 5847 H2 TIP3 1268 62.023 -12.434 -13.305 1.00 0.00 WAT1 ATOM 5848 OH2 TIP3 1269 58.541 -13.248 -2.806 1.00 0.00 WAT1 ATOM 5849 H1 TIP3 1269 59.478 -13.361 -2.644 1.00 0.00 WAT1 ATOM 5850 H2 TIP3 1269 58.291 -14.044 -3.336 1.00 0.00 WAT1 ATOM 5851 OH2 TIP3 1270 53.207 -9.549 -7.922 1.00 0.00 WAT1 ATOM 5852 H1 TIP3 1270 52.238 -9.684 -7.855 1.00 0.00 WAT1 ATOM 5853 H2 TIP3 1270 53.589 -10.296 -7.414 1.00 0.00 WAT1 ATOM 5854 OH2 TIP3 1271 63.271 -3.177 -17.685 1.00 0.00 WAT1 ATOM 5855 H1 TIP3 1271 63.010 -4.075 -17.418 1.00 0.00 WAT1 ATOM 5856 H2 TIP3 1271 62.442 -2.668 -17.663 1.00 0.00 WAT1 ATOM 5857 OH2 TIP3 1272 59.410 -8.032 -13.975 1.00 0.00 WAT1 ATOM 5858 H1 TIP3 1272 60.241 -8.481 -14.245 1.00 0.00 WAT1 ATOM 5859 H2 TIP3 1272 58.978 -8.673 -13.387 1.00 0.00 WAT1 ATOM 5860 OH2 TIP3 1273 58.051 -17.557 -11.180 1.00 0.00 WAT1 ATOM 5861 H1 TIP3 1273 58.975 -17.548 -11.503 1.00 0.00 WAT1 ATOM 5862 H2 TIP3 1273 57.624 -16.819 -11.666 1.00 0.00 WAT1 ATOM 5863 OH2 TIP3 1274 59.051 -19.899 -4.864 1.00 0.00 WAT1 ATOM 5864 H1 TIP3 1274 59.380 -20.589 -4.249 1.00 0.00 WAT1 ATOM 5865 H2 TIP3 1274 58.684 -19.207 -4.272 1.00 0.00 WAT1 ATOM 5866 OH2 TIP3 1275 51.321 -18.786 -8.821 1.00 0.00 WAT1 ATOM 5867 H1 TIP3 1275 52.139 -18.615 -9.337 1.00 0.00 WAT1 ATOM 5868 H2 TIP3 1275 51.239 -17.997 -8.233 1.00 0.00 WAT1 ATOM 5869 OH2 TIP3 1276 55.113 -16.918 -15.104 1.00 0.00 WAT1 ATOM 5870 H1 TIP3 1276 54.494 -16.799 -15.846 1.00 0.00 WAT1 ATOM 5871 H2 TIP3 1276 55.973 -16.618 -15.463 1.00 0.00 WAT1 ATOM 5872 OH2 TIP3 1277 60.641 -16.957 -12.174 1.00 0.00 WAT1 ATOM 5873 H1 TIP3 1277 60.932 -16.880 -13.114 1.00 0.00 WAT1 ATOM 5874 H2 TIP3 1277 61.380 -17.390 -11.735 1.00 0.00 WAT1 ATOM 5875 OH2 TIP3 1278 61.462 -16.657 -14.740 1.00 0.00 WAT1 ATOM 5876 H1 TIP3 1278 60.663 -16.416 -15.225 1.00 0.00 WAT1 ATOM 5877 H2 TIP3 1278 62.192 -16.455 -15.366 1.00 0.00 WAT1 ATOM 5878 OH2 TIP3 1279 63.333 -16.025 -16.681 1.00 0.00 WAT1 ATOM 5879 H1 TIP3 1279 64.256 -16.288 -16.768 1.00 0.00 WAT1 ATOM 5880 H2 TIP3 1279 63.011 -15.970 -17.612 1.00 0.00 WAT1 ATOM 5881 OH2 TIP3 1280 61.302 -12.092 -14.910 1.00 0.00 WAT1 ATOM 5882 H1 TIP3 1280 61.276 -11.133 -15.089 1.00 0.00 WAT1 ATOM 5883 H2 TIP3 1280 60.389 -12.304 -14.600 1.00 0.00 WAT1 ATOM 5884 OH2 TIP3 1281 58.217 -13.870 -9.784 1.00 0.00 WAT1 ATOM 5885 H1 TIP3 1281 58.166 -14.749 -9.335 1.00 0.00 WAT1 ATOM 5886 H2 TIP3 1281 59.037 -13.924 -10.320 1.00 0.00 WAT1 ATOM 5887 OH2 TIP3 1282 57.872 -15.514 -4.090 1.00 0.00 WAT1 ATOM 5888 H1 TIP3 1282 57.232 -15.510 -4.827 1.00 0.00 WAT1 ATOM 5889 H2 TIP3 1282 57.791 -16.412 -3.707 1.00 0.00 WAT1 ATOM 5890 OH2 TIP3 1283 63.795 -10.316 -13.218 1.00 0.00 WAT1 ATOM 5891 H1 TIP3 1283 63.361 -11.117 -12.841 1.00 0.00 WAT1 ATOM 5892 H2 TIP3 1283 64.176 -9.874 -12.453 1.00 0.00 WAT1 ATOM 5893 OH2 TIP3 1284 60.008 -10.453 -12.314 1.00 0.00 WAT1 ATOM 5894 H1 TIP3 1284 60.852 -10.741 -11.939 1.00 0.00 WAT1 ATOM 5895 H2 TIP3 1284 59.643 -11.268 -12.735 1.00 0.00 WAT1 ATOM 5896 OH2 TIP3 1285 59.859 -6.267 -11.866 1.00 0.00 WAT1 ATOM 5897 H1 TIP3 1285 60.110 -5.382 -12.199 1.00 0.00 WAT1 ATOM 5898 H2 TIP3 1285 60.010 -6.860 -12.629 1.00 0.00 WAT1 ATOM 5899 OH2 TIP3 1286 59.522 -21.746 0.022 1.00 0.00 WAT1 ATOM 5900 H1 TIP3 1286 59.326 -20.855 0.366 1.00 0.00 WAT1 ATOM 5901 H2 TIP3 1286 58.691 -22.014 -0.425 1.00 0.00 WAT1 ATOM 5902 OH2 TIP3 1287 64.696 -10.870 -15.796 1.00 0.00 WAT1 ATOM 5903 H1 TIP3 1287 64.444 -10.628 -14.880 1.00 0.00 WAT1 ATOM 5904 H2 TIP3 1287 64.496 -11.835 -15.851 1.00 0.00 WAT1 ATOM 5905 OH2 TIP3 1288 63.617 -13.366 -15.768 1.00 0.00 WAT1 ATOM 5906 H1 TIP3 1288 62.726 -13.036 -15.529 1.00 0.00 WAT1 ATOM 5907 H2 TIP3 1288 63.464 -14.288 -16.050 1.00 0.00 WAT1 ATOM 5908 OH2 TIP3 1289 63.385 -7.087 -15.480 1.00 0.00 WAT1 ATOM 5909 H1 TIP3 1289 64.289 -7.435 -15.661 1.00 0.00 WAT1 ATOM 5910 H2 TIP3 1289 63.121 -6.659 -16.328 1.00 0.00 WAT1 ATOM 5911 OH2 TIP3 1290 61.798 -9.220 -14.755 1.00 0.00 WAT1 ATOM 5912 H1 TIP3 1290 62.278 -8.433 -15.094 1.00 0.00 WAT1 ATOM 5913 H2 TIP3 1290 62.443 -9.645 -14.150 1.00 0.00 WAT1 ATOM 5914 OH2 TIP3 1291 60.222 -11.836 -20.334 1.00 0.00 WAT1 ATOM 5915 H1 TIP3 1291 59.430 -11.499 -20.808 1.00 0.00 WAT1 ATOM 5916 H2 TIP3 1291 60.250 -12.792 -20.572 1.00 0.00 WAT1 ATOM 5917 OH2 TIP3 1292 57.243 -9.836 -12.656 1.00 0.00 WAT1 ATOM 5918 H1 TIP3 1292 56.943 -10.330 -11.857 1.00 0.00 WAT1 ATOM 5919 H2 TIP3 1292 58.056 -10.299 -12.919 1.00 0.00 WAT1 ATOM 5920 OH2 TIP3 1293 65.653 -8.380 -16.327 1.00 0.00 WAT1 ATOM 5921 H1 TIP3 1293 65.391 -9.311 -16.157 1.00 0.00 WAT1 ATOM 5922 H2 TIP3 1293 66.252 -8.437 -17.075 1.00 0.00 WAT1 ATOM 5923 OH2 TIP3 1294 59.439 -21.735 -2.812 1.00 0.00 WAT1 ATOM 5924 H1 TIP3 1294 58.573 -22.056 -2.497 1.00 0.00 WAT1 ATOM 5925 H2 TIP3 1294 59.977 -21.683 -2.008 1.00 0.00 WAT1 ATOM 5926 OH2 TIP3 1295 57.198 -15.246 -12.283 1.00 0.00 WAT1 ATOM 5927 H1 TIP3 1295 57.430 -14.496 -11.716 1.00 0.00 WAT1 ATOM 5928 H2 TIP3 1295 57.520 -14.979 -13.181 1.00 0.00 WAT1 ATOM 5929 OH2 TIP3 1296 62.717 -15.729 -19.334 1.00 0.00 WAT1 ATOM 5930 H1 TIP3 1296 62.717 -15.720 -20.309 1.00 0.00 WAT1 ATOM 5931 H2 TIP3 1296 62.423 -14.819 -19.088 1.00 0.00 WAT1 ATOM 5932 OH2 TIP3 1297 58.177 -20.693 3.032 1.00 0.00 WAT1 ATOM 5933 H1 TIP3 1297 58.644 -19.936 3.441 1.00 0.00 WAT1 ATOM 5934 H2 TIP3 1297 57.956 -20.377 2.134 1.00 0.00 WAT1 ATOM 5935 OH2 TIP3 1298 58.956 -7.902 -17.225 1.00 0.00 WAT1 ATOM 5936 H1 TIP3 1298 59.524 -8.662 -17.021 1.00 0.00 WAT1 ATOM 5937 H2 TIP3 1298 59.068 -7.777 -18.194 1.00 0.00 WAT1 ATOM 5938 OH2 TIP3 1299 54.268 -8.637 -10.324 1.00 0.00 WAT1 ATOM 5939 H1 TIP3 1299 53.904 -9.026 -9.504 1.00 0.00 WAT1 ATOM 5940 H2 TIP3 1299 54.647 -7.783 -10.033 1.00 0.00 WAT1 ATOM 5941 OH2 TIP3 1300 56.201 -13.151 -7.957 1.00 0.00 WAT1 ATOM 5942 H1 TIP3 1300 55.566 -13.653 -8.532 1.00 0.00 WAT1 ATOM 5943 H2 TIP3 1300 57.056 -13.233 -8.424 1.00 0.00 WAT1 ATOM 5944 OH2 TIP3 1301 58.035 -16.395 -8.679 1.00 0.00 WAT1 ATOM 5945 H1 TIP3 1301 58.467 -17.064 -8.099 1.00 0.00 WAT1 ATOM 5946 H2 TIP3 1301 57.977 -16.841 -9.550 1.00 0.00 WAT1 ATOM 5947 OH2 TIP3 1302 50.982 -16.653 -7.094 1.00 0.00 WAT1 ATOM 5948 H1 TIP3 1302 50.904 -15.742 -7.431 1.00 0.00 WAT1 ATOM 5949 H2 TIP3 1302 50.606 -16.605 -6.198 1.00 0.00 WAT1 ATOM 5950 OH2 TIP3 1303 53.653 -18.525 -10.423 1.00 0.00 WAT1 ATOM 5951 H1 TIP3 1303 54.012 -17.616 -10.480 1.00 0.00 WAT1 ATOM 5952 H2 TIP3 1303 53.583 -18.808 -11.353 1.00 0.00 WAT1 ATOM 5953 OH2 TIP3 1304 57.881 -20.953 -8.248 1.00 0.00 WAT1 ATOM 5954 H1 TIP3 1304 57.285 -20.926 -7.479 1.00 0.00 WAT1 ATOM 5955 H2 TIP3 1304 57.382 -20.483 -8.954 1.00 0.00 WAT1 ATOM 5956 OH2 TIP3 1305 59.119 -5.487 -9.337 1.00 0.00 WAT1 ATOM 5957 H1 TIP3 1305 59.514 -5.892 -10.136 1.00 0.00 WAT1 ATOM 5958 H2 TIP3 1305 58.460 -6.131 -9.048 1.00 0.00 WAT1 ATOM 5959 OH2 TIP3 1306 57.457 -7.351 -10.923 1.00 0.00 WAT1 ATOM 5960 H1 TIP3 1306 57.328 -8.206 -11.365 1.00 0.00 WAT1 ATOM 5961 H2 TIP3 1306 58.268 -6.990 -11.331 1.00 0.00 WAT1 ATOM 5962 OH2 TIP3 1307 62.346 -5.836 -17.647 1.00 0.00 WAT1 ATOM 5963 H1 TIP3 1307 62.616 -6.064 -18.565 1.00 0.00 WAT1 ATOM 5964 H2 TIP3 1307 61.437 -5.500 -17.745 1.00 0.00 WAT1 ATOM 5965 OH2 TIP3 1308 57.288 -22.676 -1.274 1.00 0.00 WAT1 ATOM 5966 H1 TIP3 1308 56.401 -22.528 -1.676 1.00 0.00 WAT1 ATOM 5967 H2 TIP3 1308 57.128 -23.361 -0.591 1.00 0.00 WAT1 ATOM 5968 OH2 TIP3 1309 59.860 -24.205 1.125 1.00 0.00 WAT1 ATOM 5969 H1 TIP3 1309 60.714 -24.543 0.839 1.00 0.00 WAT1 ATOM 5970 H2 TIP3 1309 59.840 -23.281 0.784 1.00 0.00 WAT1 ATOM 5971 OH2 TIP3 1310 57.903 -19.482 0.558 1.00 0.00 WAT1 ATOM 5972 H1 TIP3 1310 57.706 -18.626 0.995 1.00 0.00 WAT1 ATOM 5973 H2 TIP3 1310 57.281 -19.508 -0.202 1.00 0.00 WAT1 ATOM 5974 OH2 TIP3 1311 57.748 -23.377 3.270 1.00 0.00 WAT1 ATOM 5975 H1 TIP3 1311 57.793 -22.391 3.295 1.00 0.00 WAT1 ATOM 5976 H2 TIP3 1311 58.640 -23.646 3.002 1.00 0.00 WAT1 ATOM 5977 OH2 TIP3 1312 58.183 4.541 -23.756 1.00 0.00 WAT1 ATOM 5978 H1 TIP3 1312 58.858 3.996 -24.194 1.00 0.00 WAT1 ATOM 5979 H2 TIP3 1312 57.539 3.890 -23.399 1.00 0.00 WAT1 ATOM 5980 OH2 TIP3 1313 56.156 1.844 -29.025 1.00 0.00 WAT1 ATOM 5981 H1 TIP3 1313 56.658 1.968 -28.190 1.00 0.00 WAT1 ATOM 5982 H2 TIP3 1313 55.649 1.031 -28.875 1.00 0.00 WAT1 ATOM 5983 OH2 TIP3 1314 57.001 1.764 -26.392 1.00 0.00 WAT1 ATOM 5984 H1 TIP3 1314 56.594 2.566 -25.998 1.00 0.00 WAT1 ATOM 5985 H2 TIP3 1314 57.786 1.592 -25.830 1.00 0.00 WAT1 ATOM 5986 OH2 TIP3 1315 59.204 1.314 -24.643 1.00 0.00 WAT1 ATOM 5987 H1 TIP3 1315 59.087 0.351 -24.790 1.00 0.00 WAT1 ATOM 5988 H2 TIP3 1315 59.626 1.368 -23.756 1.00 0.00 WAT1 ATOM 5989 OH2 TIP3 1316 58.812 -1.415 -24.471 1.00 0.00 WAT1 ATOM 5990 H1 TIP3 1316 58.687 -1.231 -23.515 1.00 0.00 WAT1 ATOM 5991 H2 TIP3 1316 58.267 -2.213 -24.635 1.00 0.00 WAT1 ATOM 5992 OH2 TIP3 1317 61.114 -2.977 -24.568 1.00 0.00 WAT1 ATOM 5993 H1 TIP3 1317 61.011 -3.034 -23.598 1.00 0.00 WAT1 ATOM 5994 H2 TIP3 1317 60.379 -2.401 -24.848 1.00 0.00 WAT1 ATOM 5995 OH2 TIP3 1318 59.646 5.601 -21.720 1.00 0.00 WAT1 ATOM 5996 H1 TIP3 1318 58.987 5.404 -22.430 1.00 0.00 WAT1 ATOM 5997 H2 TIP3 1318 59.533 6.557 -21.542 1.00 0.00 WAT1 ATOM 5998 OH2 TIP3 1319 60.668 3.610 -24.941 1.00 0.00 WAT1 ATOM 5999 H1 TIP3 1319 60.218 2.770 -25.163 1.00 0.00 WAT1 ATOM 6000 H2 TIP3 1319 61.355 3.348 -24.296 1.00 0.00 WAT1 ATOM 6001 OH2 TIP3 1320 56.285 5.847 -21.294 1.00 0.00 WAT1 ATOM 6002 H1 TIP3 1320 56.892 5.432 -20.658 1.00 0.00 WAT1 ATOM 6003 H2 TIP3 1320 55.683 5.108 -21.569 1.00 0.00 WAT1 ATOM 6004 OH2 TIP3 1321 56.461 10.630 -23.001 1.00 0.00 WAT1 ATOM 6005 H1 TIP3 1321 56.179 10.212 -23.847 1.00 0.00 WAT1 ATOM 6006 H2 TIP3 1321 56.748 9.865 -22.442 1.00 0.00 WAT1 ATOM 6007 OH2 TIP3 1322 57.128 8.461 -21.567 1.00 0.00 WAT1 ATOM 6008 H1 TIP3 1322 58.026 8.358 -21.197 1.00 0.00 WAT1 ATOM 6009 H2 TIP3 1322 56.727 7.572 -21.474 1.00 0.00 WAT1 ATOM 6010 OH2 TIP3 1323 57.646 -5.301 -22.478 1.00 0.00 WAT1 ATOM 6011 H1 TIP3 1323 57.576 -4.623 -23.178 1.00 0.00 WAT1 ATOM 6012 H2 TIP3 1323 57.119 -6.052 -22.820 1.00 0.00 WAT1 ATOM 6013 OH2 TIP3 1324 60.530 1.676 -22.205 1.00 0.00 WAT1 ATOM 6014 H1 TIP3 1324 61.221 2.372 -22.215 1.00 0.00 WAT1 ATOM 6015 H2 TIP3 1324 59.760 2.103 -21.763 1.00 0.00 WAT1 ATOM 6016 OH2 TIP3 1325 56.827 2.230 -31.748 1.00 0.00 WAT1 ATOM 6017 H1 TIP3 1325 55.959 2.583 -32.031 1.00 0.00 WAT1 ATOM 6018 H2 TIP3 1325 56.746 2.143 -30.778 1.00 0.00 WAT1 ATOM 6019 OH2 TIP3 1326 55.188 -6.128 -28.873 1.00 0.00 WAT1 ATOM 6020 H1 TIP3 1326 55.600 -6.991 -28.621 1.00 0.00 WAT1 ATOM 6021 H2 TIP3 1326 55.557 -5.503 -28.240 1.00 0.00 WAT1 ATOM 6022 OH2 TIP3 1327 58.307 4.803 -19.516 1.00 0.00 WAT1 ATOM 6023 H1 TIP3 1327 58.923 4.996 -20.266 1.00 0.00 WAT1 ATOM 6024 H2 TIP3 1327 58.822 4.228 -18.929 1.00 0.00 WAT1 ATOM 6025 OH2 TIP3 1328 62.491 3.542 -22.833 1.00 0.00 WAT1 ATOM 6026 H1 TIP3 1328 62.501 4.507 -22.930 1.00 0.00 WAT1 ATOM 6027 H2 TIP3 1328 63.385 3.263 -23.134 1.00 0.00 WAT1 ATOM 6028 OH2 TIP3 1329 54.692 0.310 -26.959 1.00 0.00 WAT1 ATOM 6029 H1 TIP3 1329 55.549 0.695 -26.680 1.00 0.00 WAT1 ATOM 6030 H2 TIP3 1329 54.063 1.048 -26.884 1.00 0.00 WAT1 ATOM 6031 OH2 TIP3 1330 61.084 -0.205 -20.069 1.00 0.00 WAT1 ATOM 6032 H1 TIP3 1330 60.674 0.426 -20.690 1.00 0.00 WAT1 ATOM 6033 H2 TIP3 1330 61.889 -0.511 -20.541 1.00 0.00 WAT1 ATOM 6034 OH2 TIP3 1331 54.618 7.366 -23.097 1.00 0.00 WAT1 ATOM 6035 H1 TIP3 1331 55.117 6.820 -22.458 1.00 0.00 WAT1 ATOM 6036 H2 TIP3 1331 53.904 6.768 -23.421 1.00 0.00 WAT1 ATOM 6037 OH2 TIP3 1332 64.921 3.056 -23.987 1.00 0.00 WAT1 ATOM 6038 H1 TIP3 1332 65.574 3.518 -24.522 1.00 0.00 WAT1 ATOM 6039 H2 TIP3 1332 65.135 2.121 -24.100 1.00 0.00 WAT1 ATOM 6040 OH2 TIP3 1333 57.076 -3.602 -24.742 1.00 0.00 WAT1 ATOM 6041 H1 TIP3 1333 57.050 -4.397 -25.323 1.00 0.00 WAT1 ATOM 6042 H2 TIP3 1333 56.323 -3.047 -25.065 1.00 0.00 WAT1 ATOM 6043 OH2 TIP3 1334 56.564 15.056 -13.398 1.00 0.00 WAT1 ATOM 6044 H1 TIP3 1334 57.502 14.995 -13.188 1.00 0.00 WAT1 ATOM 6045 H2 TIP3 1334 56.513 15.783 -14.062 1.00 0.00 WAT1 ATOM 6046 OH2 TIP3 1335 60.502 8.568 -23.442 1.00 0.00 WAT1 ATOM 6047 H1 TIP3 1335 61.036 7.776 -23.671 1.00 0.00 WAT1 ATOM 6048 H2 TIP3 1335 59.917 8.683 -24.197 1.00 0.00 WAT1 ATOM 6049 OH2 TIP3 1336 58.185 2.601 -21.196 1.00 0.00 WAT1 ATOM 6050 H1 TIP3 1336 57.910 3.231 -20.515 1.00 0.00 WAT1 ATOM 6051 H2 TIP3 1336 57.404 2.539 -21.793 1.00 0.00 WAT1 ATOM 6052 OH2 TIP3 1337 64.919 -1.151 -23.505 1.00 0.00 WAT1 ATOM 6053 H1 TIP3 1337 65.710 -1.616 -23.224 1.00 0.00 WAT1 ATOM 6054 H2 TIP3 1337 64.481 -1.777 -24.127 1.00 0.00 WAT1 ATOM 6055 OH2 TIP3 1338 59.811 -5.060 -20.797 1.00 0.00 WAT1 ATOM 6056 H1 TIP3 1338 60.194 -4.235 -21.184 1.00 0.00 WAT1 ATOM 6057 H2 TIP3 1338 59.000 -5.220 -21.341 1.00 0.00 WAT1 ATOM 6058 OH2 TIP3 1339 61.414 6.015 -23.789 1.00 0.00 WAT1 ATOM 6059 H1 TIP3 1339 61.144 5.353 -24.460 1.00 0.00 WAT1 ATOM 6060 H2 TIP3 1339 60.893 5.775 -22.995 1.00 0.00 WAT1 ATOM 6061 OH2 TIP3 1340 63.789 -3.180 -24.927 1.00 0.00 WAT1 ATOM 6062 H1 TIP3 1340 62.813 -3.044 -24.881 1.00 0.00 WAT1 ATOM 6063 H2 TIP3 1340 63.888 -4.123 -25.075 1.00 0.00 WAT1 ATOM 6064 OH2 TIP3 1341 63.038 -1.463 -21.494 1.00 0.00 WAT1 ATOM 6065 H1 TIP3 1341 63.666 -1.190 -22.196 1.00 0.00 WAT1 ATOM 6066 H2 TIP3 1341 63.502 -2.198 -21.029 1.00 0.00 WAT1 ATOM 6067 OH2 TIP3 1342 62.539 -6.043 -20.361 1.00 0.00 WAT1 ATOM 6068 H1 TIP3 1342 61.708 -5.653 -20.678 1.00 0.00 WAT1 ATOM 6069 H2 TIP3 1342 62.602 -6.897 -20.849 1.00 0.00 WAT1 ATOM 6070 OH2 TIP3 1343 59.620 -7.650 -19.829 1.00 0.00 WAT1 ATOM 6071 H1 TIP3 1343 59.490 -8.153 -20.665 1.00 0.00 WAT1 ATOM 6072 H2 TIP3 1343 59.737 -6.726 -20.126 1.00 0.00 WAT1 ATOM 6073 OH2 TIP3 1344 55.618 3.897 -25.341 1.00 0.00 WAT1 ATOM 6074 H1 TIP3 1344 55.764 3.616 -24.403 1.00 0.00 WAT1 ATOM 6075 H2 TIP3 1344 55.937 4.809 -25.365 1.00 0.00 WAT1 ATOM 6076 OH2 TIP3 1345 55.001 -1.992 -25.389 1.00 0.00 WAT1 ATOM 6077 H1 TIP3 1345 54.164 -2.098 -24.888 1.00 0.00 WAT1 ATOM 6078 H2 TIP3 1345 54.833 -1.230 -25.980 1.00 0.00 WAT1 ATOM 6079 OH2 TIP3 1346 57.426 1.067 -34.126 1.00 0.00 WAT1 ATOM 6080 H1 TIP3 1346 57.264 1.430 -33.225 1.00 0.00 WAT1 ATOM 6081 H2 TIP3 1346 58.350 1.262 -34.294 1.00 0.00 WAT1 ATOM 6082 OH2 TIP3 1347 57.519 6.825 -17.786 1.00 0.00 WAT1 ATOM 6083 H1 TIP3 1347 58.138 6.381 -17.163 1.00 0.00 WAT1 ATOM 6084 H2 TIP3 1347 57.638 6.336 -18.623 1.00 0.00 WAT1 ATOM 6085 OH2 TIP3 1348 56.114 -7.333 -23.682 1.00 0.00 WAT1 ATOM 6086 H1 TIP3 1348 56.650 -8.137 -23.883 1.00 0.00 WAT1 ATOM 6087 H2 TIP3 1348 55.233 -7.687 -23.465 1.00 0.00 WAT1 ATOM 6088 OH2 TIP3 1349 54.222 -9.342 -35.862 1.00 0.00 WAT1 ATOM 6089 H1 TIP3 1349 53.274 -9.335 -36.116 1.00 0.00 WAT1 ATOM 6090 H2 TIP3 1349 54.268 -8.758 -35.098 1.00 0.00 WAT1 ATOM 6091 OH2 TIP3 1350 59.001 2.352 -4.502 1.00 0.00 WAT1 ATOM 6092 H1 TIP3 1350 58.164 2.235 -4.015 1.00 0.00 WAT1 ATOM 6093 H2 TIP3 1350 59.508 1.528 -4.306 1.00 0.00 WAT1 ATOM 6094 OH2 TIP3 1351 57.813 5.836 -8.387 1.00 0.00 WAT1 ATOM 6095 H1 TIP3 1351 57.050 6.110 -8.936 1.00 0.00 WAT1 ATOM 6096 H2 TIP3 1351 57.659 6.283 -7.523 1.00 0.00 WAT1 ATOM 6097 OH2 TIP3 1352 59.351 -1.461 -14.305 1.00 0.00 WAT1 ATOM 6098 H1 TIP3 1352 59.749 -0.566 -14.343 1.00 0.00 WAT1 ATOM 6099 H2 TIP3 1352 58.398 -1.295 -14.312 1.00 0.00 WAT1 ATOM 6100 OH2 TIP3 1353 57.173 2.938 -6.490 1.00 0.00 WAT1 ATOM 6101 H1 TIP3 1353 57.608 2.933 -7.364 1.00 0.00 WAT1 ATOM 6102 H2 TIP3 1353 57.910 2.816 -5.857 1.00 0.00 WAT1 ATOM 6103 OH2 TIP3 1354 62.757 -4.465 -4.166 1.00 0.00 WAT1 ATOM 6104 H1 TIP3 1354 63.698 -4.649 -4.132 1.00 0.00 WAT1 ATOM 6105 H2 TIP3 1354 62.707 -3.516 -4.429 1.00 0.00 WAT1 ATOM 6106 OH2 TIP3 1355 62.498 -1.845 -4.805 1.00 0.00 WAT1 ATOM 6107 H1 TIP3 1355 62.045 -1.335 -4.120 1.00 0.00 WAT1 ATOM 6108 H2 TIP3 1355 62.228 -1.414 -5.641 1.00 0.00 WAT1 ATOM 6109 OH2 TIP3 1356 58.440 11.458 -8.715 1.00 0.00 WAT1 ATOM 6110 H1 TIP3 1356 58.624 10.923 -9.520 1.00 0.00 WAT1 ATOM 6111 H2 TIP3 1356 59.305 11.565 -8.302 1.00 0.00 WAT1 ATOM 6112 OH2 TIP3 1357 61.832 2.791 -13.084 1.00 0.00 WAT1 ATOM 6113 H1 TIP3 1357 61.104 2.879 -12.441 1.00 0.00 WAT1 ATOM 6114 H2 TIP3 1357 61.515 2.114 -13.708 1.00 0.00 WAT1 ATOM 6115 OH2 TIP3 1358 58.976 9.798 -10.829 1.00 0.00 WAT1 ATOM 6116 H1 TIP3 1358 59.746 9.257 -10.525 1.00 0.00 WAT1 ATOM 6117 H2 TIP3 1358 58.983 9.691 -11.790 1.00 0.00 WAT1 ATOM 6118 OH2 TIP3 1359 60.492 2.235 -6.811 1.00 0.00 WAT1 ATOM 6119 H1 TIP3 1359 60.042 2.793 -7.468 1.00 0.00 WAT1 ATOM 6120 H2 TIP3 1359 60.101 2.507 -5.955 1.00 0.00 WAT1 ATOM 6121 OH2 TIP3 1360 58.905 -2.623 -4.604 1.00 0.00 WAT1 ATOM 6122 H1 TIP3 1360 59.017 -2.897 -5.518 1.00 0.00 WAT1 ATOM 6123 H2 TIP3 1360 59.238 -3.388 -4.083 1.00 0.00 WAT1 ATOM 6124 OH2 TIP3 1361 56.652 4.663 -2.902 1.00 0.00 WAT1 ATOM 6125 H1 TIP3 1361 57.604 4.565 -3.009 1.00 0.00 WAT1 ATOM 6126 H2 TIP3 1361 56.292 3.793 -3.154 1.00 0.00 WAT1 ATOM 6127 OH2 TIP3 1362 60.769 7.676 -13.127 1.00 0.00 WAT1 ATOM 6128 H1 TIP3 1362 59.995 7.084 -13.050 1.00 0.00 WAT1 ATOM 6129 H2 TIP3 1362 61.228 7.366 -13.930 1.00 0.00 WAT1 ATOM 6130 OH2 TIP3 1363 57.068 7.095 -6.047 1.00 0.00 WAT1 ATOM 6131 H1 TIP3 1363 57.102 8.003 -6.434 1.00 0.00 WAT1 ATOM 6132 H2 TIP3 1363 56.936 7.252 -5.085 1.00 0.00 WAT1 ATOM 6133 OH2 TIP3 1364 64.092 -3.655 -20.242 1.00 0.00 WAT1 ATOM 6134 H1 TIP3 1364 63.777 -4.575 -20.316 1.00 0.00 WAT1 ATOM 6135 H2 TIP3 1364 63.992 -3.442 -19.289 1.00 0.00 WAT1 ATOM 6136 OH2 TIP3 1365 61.187 -0.389 -6.788 1.00 0.00 WAT1 ATOM 6137 H1 TIP3 1365 60.990 -0.706 -7.694 1.00 0.00 WAT1 ATOM 6138 H2 TIP3 1365 61.066 0.588 -6.845 1.00 0.00 WAT1 ATOM 6139 OH2 TIP3 1366 58.442 0.519 -9.608 1.00 0.00 WAT1 ATOM 6140 H1 TIP3 1366 59.300 0.056 -9.523 1.00 0.00 WAT1 ATOM 6141 H2 TIP3 1366 58.618 1.414 -9.264 1.00 0.00 WAT1 ATOM 6142 OH2 TIP3 1367 60.057 -0.148 -4.293 1.00 0.00 WAT1 ATOM 6143 H1 TIP3 1367 59.541 -0.974 -4.168 1.00 0.00 WAT1 ATOM 6144 H2 TIP3 1367 60.428 -0.237 -5.194 1.00 0.00 WAT1 ATOM 6145 OH2 TIP3 1368 60.658 -2.727 -21.845 1.00 0.00 WAT1 ATOM 6146 H1 TIP3 1368 59.984 -2.024 -21.737 1.00 0.00 WAT1 ATOM 6147 H2 TIP3 1368 61.513 -2.262 -21.693 1.00 0.00 WAT1 ATOM 6148 OH2 TIP3 1369 55.796 -3.640 -8.903 1.00 0.00 WAT1 ATOM 6149 H1 TIP3 1369 55.975 -2.802 -9.378 1.00 0.00 WAT1 ATOM 6150 H2 TIP3 1369 55.613 -3.366 -7.999 1.00 0.00 WAT1 ATOM 6151 OH2 TIP3 1370 56.339 1.247 -11.660 1.00 0.00 WAT1 ATOM 6152 H1 TIP3 1370 56.471 1.806 -12.467 1.00 0.00 WAT1 ATOM 6153 H2 TIP3 1370 57.221 1.203 -11.256 1.00 0.00 WAT1 ATOM 6154 OH2 TIP3 1371 60.142 1.236 -14.768 1.00 0.00 WAT1 ATOM 6155 H1 TIP3 1371 60.018 1.234 -15.736 1.00 0.00 WAT1 ATOM 6156 H2 TIP3 1371 59.648 2.034 -14.471 1.00 0.00 WAT1 ATOM 6157 OH2 TIP3 1372 60.261 -3.566 -12.640 1.00 0.00 WAT1 ATOM 6158 H1 TIP3 1372 60.066 -2.829 -13.258 1.00 0.00 WAT1 ATOM 6159 H2 TIP3 1372 59.804 -3.306 -11.811 1.00 0.00 WAT1 ATOM 6160 OH2 TIP3 1373 61.918 6.520 -15.400 1.00 0.00 WAT1 ATOM 6161 H1 TIP3 1373 62.562 6.855 -16.032 1.00 0.00 WAT1 ATOM 6162 H2 TIP3 1373 62.444 5.912 -14.820 1.00 0.00 WAT1 ATOM 6163 OH2 TIP3 1374 58.747 3.227 -8.861 1.00 0.00 WAT1 ATOM 6164 H1 TIP3 1374 58.470 4.154 -8.688 1.00 0.00 WAT1 ATOM 6165 H2 TIP3 1374 59.059 3.242 -9.794 1.00 0.00 WAT1 ATOM 6166 OH2 TIP3 1375 56.265 1.979 -3.968 1.00 0.00 WAT1 ATOM 6167 H1 TIP3 1375 55.958 1.050 -3.880 1.00 0.00 WAT1 ATOM 6168 H2 TIP3 1375 56.241 2.147 -4.927 1.00 0.00 WAT1 ATOM 6169 OH2 TIP3 1376 61.080 8.121 -10.454 1.00 0.00 WAT1 ATOM 6170 H1 TIP3 1376 60.767 7.229 -10.208 1.00 0.00 WAT1 ATOM 6171 H2 TIP3 1376 61.276 8.047 -11.411 1.00 0.00 WAT1 ATOM 6172 OH2 TIP3 1377 63.374 4.924 -13.784 1.00 0.00 WAT1 ATOM 6173 H1 TIP3 1377 62.847 4.110 -13.599 1.00 0.00 WAT1 ATOM 6174 H2 TIP3 1377 63.870 5.071 -12.973 1.00 0.00 WAT1 ATOM 6175 OH2 TIP3 1378 60.127 -4.894 -3.652 1.00 0.00 WAT1 ATOM 6176 H1 TIP3 1378 61.088 -4.736 -3.803 1.00 0.00 WAT1 ATOM 6177 H2 TIP3 1378 60.060 -5.845 -3.542 1.00 0.00 WAT1 ATOM 6178 OH2 TIP3 1379 57.124 9.628 -7.022 1.00 0.00 WAT1 ATOM 6179 H1 TIP3 1379 57.484 10.258 -7.671 1.00 0.00 WAT1 ATOM 6180 H2 TIP3 1379 56.811 10.197 -6.284 1.00 0.00 WAT1 ATOM 6181 OH2 TIP3 1380 59.334 5.818 -15.922 1.00 0.00 WAT1 ATOM 6182 H1 TIP3 1380 59.200 4.997 -15.396 1.00 0.00 WAT1 ATOM 6183 H2 TIP3 1380 60.286 6.027 -15.796 1.00 0.00 WAT1 ATOM 6184 OH2 TIP3 1381 59.974 -4.457 -18.049 1.00 0.00 WAT1 ATOM 6185 H1 TIP3 1381 60.214 -3.501 -18.009 1.00 0.00 WAT1 ATOM 6186 H2 TIP3 1381 59.820 -4.624 -19.004 1.00 0.00 WAT1 ATOM 6187 OH2 TIP3 1382 56.765 8.398 -13.394 1.00 0.00 WAT1 ATOM 6188 H1 TIP3 1382 56.379 9.266 -13.198 1.00 0.00 WAT1 ATOM 6189 H2 TIP3 1382 57.283 8.546 -14.221 1.00 0.00 WAT1 ATOM 6190 OH2 TIP3 1383 60.643 -1.158 -9.403 1.00 0.00 WAT1 ATOM 6191 H1 TIP3 1383 59.982 -1.821 -9.708 1.00 0.00 WAT1 ATOM 6192 H2 TIP3 1383 61.434 -1.363 -9.913 1.00 0.00 WAT1 ATOM 6193 OH2 TIP3 1384 53.938 12.001 -12.855 1.00 0.00 WAT1 ATOM 6194 H1 TIP3 1384 54.647 11.577 -13.388 1.00 0.00 WAT1 ATOM 6195 H2 TIP3 1384 53.118 11.826 -13.373 1.00 0.00 WAT1 ATOM 6196 OH2 TIP3 1385 59.745 8.264 -20.873 1.00 0.00 WAT1 ATOM 6197 H1 TIP3 1385 60.130 8.914 -20.275 1.00 0.00 WAT1 ATOM 6198 H2 TIP3 1385 60.099 8.513 -21.763 1.00 0.00 WAT1 ATOM 6199 OH2 TIP3 1386 59.467 3.329 -11.616 1.00 0.00 WAT1 ATOM 6200 H1 TIP3 1386 59.099 3.368 -12.529 1.00 0.00 WAT1 ATOM 6201 H2 TIP3 1386 59.625 4.266 -11.381 1.00 0.00 WAT1 ATOM 6202 OH2 TIP3 1387 60.789 -1.799 -17.868 1.00 0.00 WAT1 ATOM 6203 H1 TIP3 1387 60.881 -1.251 -18.691 1.00 0.00 WAT1 ATOM 6204 H2 TIP3 1387 60.639 -1.148 -17.170 1.00 0.00 WAT1 ATOM 6205 OH2 TIP3 1388 58.430 6.189 -12.867 1.00 0.00 WAT1 ATOM 6206 H1 TIP3 1388 57.695 6.811 -13.055 1.00 0.00 WAT1 ATOM 6207 H2 TIP3 1388 58.235 5.410 -13.419 1.00 0.00 WAT1 ATOM 6208 OH2 TIP3 1389 53.959 14.723 -12.598 1.00 0.00 WAT1 ATOM 6209 H1 TIP3 1389 53.817 13.755 -12.680 1.00 0.00 WAT1 ATOM 6210 H2 TIP3 1389 54.927 14.831 -12.739 1.00 0.00 WAT1 ATOM 6211 OH2 TIP3 1390 54.479 11.876 -10.087 1.00 0.00 WAT1 ATOM 6212 H1 TIP3 1390 54.275 12.012 -11.036 1.00 0.00 WAT1 ATOM 6213 H2 TIP3 1390 55.065 11.081 -10.085 1.00 0.00 WAT1 ATOM 6214 OH2 TIP3 1391 53.453 -2.482 -5.396 1.00 0.00 WAT1 ATOM 6215 H1 TIP3 1391 53.441 -3.429 -5.140 1.00 0.00 WAT1 ATOM 6216 H2 TIP3 1391 52.628 -2.366 -5.904 1.00 0.00 WAT1 ATOM 6217 OH2 TIP3 1392 56.468 -1.273 -10.153 1.00 0.00 WAT1 ATOM 6218 H1 TIP3 1392 56.074 -0.741 -10.866 1.00 0.00 WAT1 ATOM 6219 H2 TIP3 1392 57.178 -0.692 -9.793 1.00 0.00 WAT1 ATOM 6220 OH2 TIP3 1393 55.444 -6.357 -9.283 1.00 0.00 WAT1 ATOM 6221 H1 TIP3 1393 56.174 -6.633 -9.881 1.00 0.00 WAT1 ATOM 6222 H2 TIP3 1393 55.527 -5.378 -9.240 1.00 0.00 WAT1 ATOM 6223 OH2 TIP3 1394 56.167 9.761 -10.614 1.00 0.00 WAT1 ATOM 6224 H1 TIP3 1394 55.993 8.814 -10.693 1.00 0.00 WAT1 ATOM 6225 H2 TIP3 1394 57.142 9.821 -10.580 1.00 0.00 WAT1 ATOM 6226 OH2 TIP3 1395 59.580 5.833 -10.440 1.00 0.00 WAT1 ATOM 6227 H1 TIP3 1395 59.047 6.109 -11.217 1.00 0.00 WAT1 ATOM 6228 H2 TIP3 1395 58.968 5.931 -9.679 1.00 0.00 WAT1 ATOM 6229 OH2 TIP3 1396 58.825 -2.976 -10.357 1.00 0.00 WAT1 ATOM 6230 H1 TIP3 1396 57.894 -2.698 -10.285 1.00 0.00 WAT1 ATOM 6231 H2 TIP3 1396 58.854 -3.851 -9.898 1.00 0.00 WAT1 ATOM 6232 OH2 TIP3 1397 61.314 -5.643 -14.444 1.00 0.00 WAT1 ATOM 6233 H1 TIP3 1397 61.593 -4.929 -13.853 1.00 0.00 WAT1 ATOM 6234 H2 TIP3 1397 62.147 -6.120 -14.661 1.00 0.00 WAT1 ATOM 6235 OH2 TIP3 1398 55.397 10.757 -14.836 1.00 0.00 WAT1 ATOM 6236 H1 TIP3 1398 55.804 10.083 -15.396 1.00 0.00 WAT1 ATOM 6237 H2 TIP3 1398 54.882 11.308 -15.463 1.00 0.00 WAT1 ATOM 6238 OH2 TIP3 1399 60.821 -9.818 -18.495 1.00 0.00 WAT1 ATOM 6239 H1 TIP3 1399 60.541 -10.565 -19.063 1.00 0.00 WAT1 ATOM 6240 H2 TIP3 1399 60.591 -9.026 -19.015 1.00 0.00 WAT1 ATOM 6241 OH2 TIP3 1400 53.937 17.305 -13.630 1.00 0.00 WAT1 ATOM 6242 H1 TIP3 1400 53.906 16.378 -13.315 1.00 0.00 WAT1 ATOM 6243 H2 TIP3 1400 53.868 17.831 -12.821 1.00 0.00 WAT1 ATOM 6244 OH2 TIP3 1401 56.251 13.118 -8.211 1.00 0.00 WAT1 ATOM 6245 H1 TIP3 1401 55.604 12.668 -8.783 1.00 0.00 WAT1 ATOM 6246 H2 TIP3 1401 57.080 12.612 -8.347 1.00 0.00 WAT1 ATOM 6247 OH2 TIP3 1402 56.040 16.923 -15.312 1.00 0.00 WAT1 ATOM 6248 H1 TIP3 1402 55.294 17.268 -14.776 1.00 0.00 WAT1 ATOM 6249 H2 TIP3 1402 55.896 17.320 -16.203 1.00 0.00 WAT1 ATOM 6250 OH2 TIP3 1403 55.227 14.296 -15.834 1.00 0.00 WAT1 ATOM 6251 H1 TIP3 1403 55.640 14.134 -14.971 1.00 0.00 WAT1 ATOM 6252 H2 TIP3 1403 55.465 15.215 -16.039 1.00 0.00 WAT1 END