REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1726.13, 106.698, 148.595, 58.5078, 676.474, -666.685, -2058.18, 7.48455, 0.97603 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.615472E-03,0.470777,1.09763,42.8182,5.723211E-03,0.294275 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 61, 19 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:39 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.729 -20.868 9.729 1.00 30.35 ATOM 2 CB MET 1 1.929 -20.539 8.602 1.00 64.00 ATOM 3 HB1 MET 1 2.431 -20.535 7.644 1.00 37.05 ATOM 4 HB2 MET 1 1.131 -19.811 8.580 1.00 51.30 ATOM 5 CG MET 1 1.311 -21.917 8.807 1.00 70.45 ATOM 6 HG1 MET 1 0.790 -21.928 9.755 1.00 37.05 ATOM 7 HG2 MET 1 2.101 -22.654 8.823 1.00 45.40 ATOM 8 SD MET 1 0.145 -22.349 7.500 1.00 50.41 ATOM 9 CE MET 1 -0.394 -23.971 8.038 1.00 30.12 ATOM 10 HE1 MET 1 0.460 -24.628 8.116 1.00 30.40 ATOM 11 HE2 MET 1 -1.094 -24.374 7.320 1.00 11.42 ATOM 12 HE3 MET 1 -0.874 -23.889 9.002 1.00 71.32 ATOM 13 C MET 1 3.547 -18.769 9.359 1.00 14.23 ATOM 14 O MET 1 3.550 -17.868 10.196 1.00 30.31 ATOM 15 N MET 1 2.267 -20.107 11.023 1.00 73.20 ATOM 16 HT1 MET 1 1.461 -19.450 11.008 1.00 37.05 ATOM 17 HT2 MET 1 2.938 -19.789 11.753 1.00 37.05 ATOM 18 HT3 MET 1 1.925 -21.055 11.278 1.00 37.05 ATOM 19 CA MET 1 2.935 -20.136 9.691 1.00 64.43 ATOM 20 N GLY 2 4.075 -18.620 8.143 1.00 64.20 ATOM 21 HN GLY 2 4.061 -19.371 7.513 1.00 37.05 ATOM 22 CA GLY 2 4.670 -17.350 7.739 1.00 2.41 ATOM 23 HA1 GLY 2 5.501 -17.134 8.394 1.00 37.05 ATOM 24 HA2 GLY 2 3.931 -16.570 7.847 1.00 53.12 ATOM 25 C GLY 2 5.169 -17.350 6.297 1.00 10.34 ATOM 26 O GLY 2 4.962 -18.317 5.561 1.00 22.41 ATOM 27 N HIS 3 5.830 -16.256 5.907 1.00 54.31 ATOM 28 HN HIS 3 5.937 -15.521 6.551 1.00 37.05 ATOM 29 CA HIS 3 6.392 -16.086 4.556 1.00 50.24 ATOM 30 HA HIS 3 6.999 -15.190 4.588 1.00 52.13 ATOM 31 CB HIS 3 7.301 -17.262 4.166 1.00 44.04 ATOM 32 HB1 HIS 3 7.596 -17.155 3.131 1.00 37.05 ATOM 33 HB2 HIS 3 6.756 -18.188 4.286 1.00 0.21 ATOM 34 CG HIS 3 8.544 -17.347 4.992 1.00 52.55 ATOM 35 ND1 HIS 3 9.571 -16.437 4.887 1.00 32.14 ATOM 36 HD1 HIS 3 9.592 -15.666 4.282 1.00 12.13 ATOM 37 CD2 HIS 3 8.929 -18.235 5.939 1.00 14.24 ATOM 38 HD2 HIS 3 8.366 -19.090 6.285 1.00 44.35 ATOM 39 CE1 HIS 3 10.530 -16.757 5.727 1.00 42.13 ATOM 40 HE1 HIS 3 11.456 -16.219 5.862 1.00 31.40 ATOM 41 NE2 HIS 3 10.170 -17.842 6.379 1.00 3.55 ATOM 42 HE2 HIS 3 10.627 -18.195 7.173 1.00 37.05 ATOM 43 C HIS 3 5.305 -15.875 3.490 1.00 64.02 ATOM 44 O HIS 3 4.691 -16.832 2.998 1.00 31.34 ATOM 45 N HIS 4 5.079 -14.612 3.131 1.00 33.52 ATOM 46 HN HIS 4 5.567 -13.896 3.590 1.00 37.05 ATOM 47 CA HIS 4 4.129 -14.260 2.077 1.00 43.31 ATOM 48 HA HIS 4 3.194 -14.760 2.298 1.00 34.24 ATOM 49 CB HIS 4 3.887 -12.746 2.057 1.00 12.34 ATOM 50 HB1 HIS 4 3.212 -12.504 1.249 1.00 37.05 ATOM 51 HB2 HIS 4 4.828 -12.238 1.898 1.00 50.41 ATOM 52 CG HIS 4 3.292 -12.227 3.331 1.00 1.32 ATOM 53 ND1 HIS 4 4.007 -11.503 4.260 1.00 30.42 ATOM 54 HD1 HIS 4 4.959 -11.266 4.197 1.00 73.32 ATOM 55 CD2 HIS 4 2.036 -12.330 3.828 1.00 42.12 ATOM 56 HD2 HIS 4 1.200 -12.836 3.365 1.00 43.24 ATOM 57 CE1 HIS 4 3.221 -11.186 5.267 1.00 43.45 ATOM 58 HE1 HIS 4 3.510 -10.619 6.139 1.00 72.51 ATOM 59 NE2 HIS 4 2.023 -11.673 5.031 1.00 62.40 ATOM 60 HE2 HIS 4 1.218 -11.446 5.542 1.00 37.05 ATOM 61 C HIS 4 4.629 -14.746 0.708 1.00 2.21 ATOM 62 O HIS 4 5.305 -14.020 -0.023 1.00 63.51 ATOM 63 N HIS 5 4.323 -16.000 0.402 1.00 51.55 ATOM 64 HN HIS 5 3.816 -16.524 1.052 1.00 37.05 ATOM 65 CA HIS 5 4.720 -16.628 -0.862 1.00 52.01 ATOM 66 HA HIS 5 5.761 -16.389 -1.033 1.00 50.12 ATOM 67 CB HIS 5 4.579 -18.153 -0.743 1.00 23.01 ATOM 68 HB1 HIS 5 5.413 -18.542 -0.175 1.00 37.05 ATOM 69 HB2 HIS 5 4.591 -18.591 -1.731 1.00 4.54 ATOM 70 CG HIS 5 3.313 -18.586 -0.060 1.00 10.34 ATOM 71 ND1 HIS 5 3.185 -18.651 1.315 1.00 15.32 ATOM 72 HD1 HIS 5 3.885 -18.437 1.971 1.00 2.45 ATOM 73 CD2 HIS 5 2.112 -18.961 -0.562 1.00 62.12 ATOM 74 HD2 HIS 5 1.845 -19.024 -1.608 1.00 23.52 ATOM 75 CE1 HIS 5 1.966 -19.047 1.623 1.00 30.41 ATOM 76 HE1 HIS 5 1.581 -19.189 2.623 1.00 44.14 ATOM 77 NE2 HIS 5 1.297 -19.240 0.506 1.00 64.41 ATOM 78 HE2 HIS 5 0.321 -19.360 0.454 1.00 37.05 ATOM 79 C HIS 5 3.894 -16.087 -2.042 1.00 23.21 ATOM 80 O HIS 5 2.684 -16.309 -2.124 1.00 33.50 ATOM 81 N HIS 6 4.564 -15.385 -2.954 1.00 74.13 ATOM 82 HN HIS 6 5.539 -15.316 -2.871 1.00 37.05 ATOM 83 CA HIS 6 3.900 -14.715 -4.079 1.00 11.33 ATOM 84 HA HIS 6 2.913 -14.415 -3.751 1.00 53.33 ATOM 85 CB HIS 6 4.686 -13.459 -4.472 1.00 20.43 ATOM 86 HB1 HIS 6 4.184 -12.969 -5.293 1.00 37.05 ATOM 87 HB2 HIS 6 5.680 -13.747 -4.788 1.00 74.54 ATOM 88 CG HIS 6 4.826 -12.466 -3.358 1.00 55.45 ATOM 89 ND1 HIS 6 3.786 -11.674 -2.922 1.00 1.51 ATOM 90 HD1 HIS 6 2.873 -11.672 -3.288 1.00 41.14 ATOM 91 CD2 HIS 6 5.890 -12.140 -2.583 1.00 62.22 ATOM 92 HD2 HIS 6 6.883 -12.564 -2.645 1.00 20.30 ATOM 93 CE1 HIS 6 4.200 -10.909 -1.933 1.00 32.32 ATOM 94 HE1 HIS 6 3.599 -10.189 -1.399 1.00 3.34 ATOM 95 NE2 HIS 6 5.469 -11.170 -1.708 1.00 22.34 ATOM 96 HE2 HIS 6 6.057 -10.634 -1.135 1.00 37.05 ATOM 97 C HIS 6 3.752 -15.636 -5.303 1.00 74.45 ATOM 98 O HIS 6 4.733 -16.187 -5.807 1.00 5.35 ATOM 99 N HIS 7 2.518 -15.785 -5.783 1.00 31.54 ATOM 100 HN HIS 7 1.775 -15.339 -5.325 1.00 37.05 ATOM 101 CA HIS 7 2.238 -16.602 -6.968 1.00 73.23 ATOM 102 HA HIS 7 2.925 -17.437 -6.959 1.00 51.44 ATOM 103 CB HIS 7 0.804 -17.151 -6.914 1.00 23.42 ATOM 104 HB1 HIS 7 0.121 -16.339 -6.706 1.00 37.05 ATOM 105 HB2 HIS 7 0.735 -17.883 -6.121 1.00 40.22 ATOM 106 CG HIS 7 0.369 -17.810 -8.193 1.00 74.11 ATOM 107 ND1 HIS 7 0.747 -19.086 -8.553 1.00 3.51 ATOM 108 HD1 HIS 7 1.310 -19.691 -8.021 1.00 13.22 ATOM 109 CD2 HIS 7 -0.395 -17.350 -9.215 1.00 23.12 ATOM 110 HD2 HIS 7 -0.867 -16.380 -9.278 1.00 73.24 ATOM 111 CE1 HIS 7 0.242 -19.379 -9.733 1.00 14.11 ATOM 112 HE1 HIS 7 0.378 -20.311 -10.264 1.00 40.21 ATOM 113 NE2 HIS 7 -0.454 -18.347 -10.156 1.00 70.42 ATOM 114 HE2 HIS 7 -0.820 -18.252 -11.060 1.00 37.05 ATOM 115 C HIS 7 2.448 -15.812 -8.271 1.00 63.44 ATOM 116 O HIS 7 1.689 -14.896 -8.591 1.00 45.23 ATOM 117 N HIS 8 3.484 -16.179 -9.020 1.00 43.42 ATOM 118 HN HIS 8 4.103 -16.852 -8.667 1.00 37.05 ATOM 119 CA HIS 8 3.739 -15.601 -10.346 1.00 62.14 ATOM 120 HA HIS 8 2.852 -15.058 -10.642 1.00 43.32 ATOM 121 CB HIS 8 4.919 -14.619 -10.292 1.00 43.04 ATOM 122 HB1 HIS 8 5.149 -14.282 -11.294 1.00 37.05 ATOM 123 HB2 HIS 8 5.782 -15.122 -9.881 1.00 30.44 ATOM 124 CG HIS 8 4.651 -13.408 -9.451 1.00 0.25 ATOM 125 ND1 HIS 8 3.872 -12.355 -9.876 1.00 61.14 ATOM 126 HD1 HIS 8 3.430 -12.283 -10.750 1.00 41.21 ATOM 127 CD2 HIS 8 5.058 -13.085 -8.200 1.00 3.44 ATOM 128 HD2 HIS 8 5.688 -13.682 -7.557 1.00 3.10 ATOM 129 CE1 HIS 8 3.810 -11.442 -8.930 1.00 12.44 ATOM 130 HE1 HIS 8 3.268 -10.509 -8.988 1.00 30.21 ATOM 131 NE2 HIS 8 4.520 -11.858 -7.903 1.00 12.45 ATOM 132 HE2 HIS 8 4.492 -11.452 -7.006 1.00 37.05 ATOM 133 C HIS 8 4.002 -16.695 -11.397 1.00 4.32 ATOM 134 O HIS 8 3.755 -16.493 -12.585 1.00 54.33 ATOM 135 N SER 9 4.501 -17.851 -10.956 1.00 2.21 ATOM 136 HN SER 9 4.717 -17.949 -10.006 1.00 37.05 ATOM 137 CA SER 9 4.749 -18.985 -11.865 1.00 12.34 ATOM 138 HA SER 9 3.947 -19.006 -12.591 1.00 11.34 ATOM 139 CB SER 9 6.083 -18.809 -12.604 1.00 52.33 ATOM 140 HB1 SER 9 6.888 -18.755 -11.886 1.00 37.05 ATOM 141 HB2 SER 9 6.055 -17.895 -13.179 1.00 74.20 ATOM 142 OG SER 9 6.331 -19.895 -13.488 1.00 3.35 ATOM 143 HG SER 9 6.088 -19.634 -14.386 1.00 43.54 ATOM 144 C SER 9 4.758 -20.319 -11.110 1.00 32.21 ATOM 145 O SER 9 5.239 -20.405 -9.977 1.00 24.32 ATOM 146 N HIS 10 4.218 -21.358 -11.744 1.00 11.54 ATOM 147 HN HIS 10 3.829 -21.218 -12.634 1.00 37.05 ATOM 148 CA HIS 10 4.190 -22.703 -11.160 1.00 5.45 ATOM 149 HA HIS 10 4.661 -22.655 -10.186 1.00 52.31 ATOM 150 CB HIS 10 2.741 -23.180 -10.985 1.00 24.30 ATOM 151 HB1 HIS 10 2.243 -23.163 -11.944 1.00 37.05 ATOM 152 HB2 HIS 10 2.228 -22.511 -10.309 1.00 34.43 ATOM 153 CG HIS 10 2.628 -24.571 -10.430 1.00 4.53 ATOM 154 ND1 HIS 10 2.677 -25.703 -11.216 1.00 24.51 ATOM 155 HD1 HIS 10 2.776 -25.721 -12.195 1.00 63.24 ATOM 156 CD2 HIS 10 2.479 -25.011 -9.157 1.00 12.41 ATOM 157 HD2 HIS 10 2.405 -24.397 -8.270 1.00 12.23 ATOM 158 CE1 HIS 10 2.564 -26.771 -10.456 1.00 63.13 ATOM 159 HE1 HIS 10 2.568 -27.795 -10.800 1.00 4.32 ATOM 160 NE2 HIS 10 2.443 -26.382 -9.204 1.00 13.25 ATOM 161 HE2 HIS 10 2.187 -26.969 -8.459 1.00 37.05 ATOM 162 C HIS 10 4.967 -23.704 -12.031 1.00 32.31 ATOM 163 O HIS 10 4.504 -24.102 -13.101 1.00 22.12 ATOM 164 N MET 11 6.145 -24.112 -11.564 1.00 41.14 ATOM 165 HN MET 11 6.486 -23.729 -10.727 1.00 37.05 ATOM 166 CA MET 11 6.957 -25.101 -12.279 1.00 0.52 ATOM 167 HA MET 11 6.951 -24.835 -13.327 1.00 63.40 ATOM 168 CB MET 11 8.406 -25.063 -11.762 1.00 24.22 ATOM 169 HB1 MET 11 8.464 -25.629 -10.844 1.00 37.05 ATOM 170 HB2 MET 11 8.673 -24.036 -11.556 1.00 31.13 ATOM 171 CG MET 11 9.432 -25.630 -12.739 1.00 25.35 ATOM 172 HG1 MET 11 10.421 -25.458 -12.337 1.00 37.05 ATOM 173 HG2 MET 11 9.337 -25.109 -13.679 1.00 23.00 ATOM 174 SD MET 11 9.234 -27.399 -13.045 1.00 24.12 ATOM 175 CE MET 11 9.643 -28.079 -11.440 1.00 3.24 ATOM 176 HE1 MET 11 9.599 -29.157 -11.486 1.00 44.01 ATOM 177 HE2 MET 11 8.935 -27.721 -10.706 1.00 34.42 ATOM 178 HE3 MET 11 10.639 -27.771 -11.160 1.00 71.14 ATOM 179 C MET 11 6.348 -26.509 -12.121 1.00 11.51 ATOM 180 O MET 11 6.121 -26.972 -10.995 1.00 14.35 ATOM 181 N PRO 12 6.056 -27.195 -13.249 1.00 4.11 ATOM 182 CA PRO 12 5.407 -28.524 -13.244 1.00 61.01 ATOM 183 HA PRO 12 4.365 -28.443 -12.965 1.00 30.25 ATOM 184 CB PRO 12 5.504 -28.963 -14.712 1.00 24.12 ATOM 185 HB1 PRO 12 4.640 -29.558 -14.975 1.00 37.05 ATOM 186 HB2 PRO 12 6.405 -29.542 -14.864 1.00 20.52 ATOM 187 CG PRO 12 5.540 -27.686 -15.478 1.00 53.12 ATOM 188 HG1 PRO 12 4.534 -27.319 -15.632 1.00 37.05 ATOM 189 HG2 PRO 12 6.034 -27.838 -16.429 1.00 32.12 ATOM 190 CD PRO 12 6.323 -26.725 -14.627 1.00 73.31 ATOM 191 HD1 PRO 12 5.963 -25.715 -14.766 1.00 37.05 ATOM 192 HD2 PRO 12 7.378 -26.785 -14.858 1.00 41.32 ATOM 193 C PRO 12 6.093 -29.554 -12.325 1.00 24.00 ATOM 194 O PRO 12 7.262 -29.898 -12.509 1.00 23.10 ATOM 195 N ASP 13 5.348 -30.046 -11.336 1.00 40.42 ATOM 196 HN ASP 13 4.431 -29.714 -11.227 1.00 37.05 ATOM 197 CA ASP 13 5.852 -31.059 -10.403 1.00 72.11 ATOM 198 HA ASP 13 6.787 -30.701 -9.993 1.00 4.22 ATOM 199 CB ASP 13 4.854 -31.256 -9.257 1.00 43.32 ATOM 200 HB1 ASP 13 5.228 -32.016 -8.584 1.00 37.05 ATOM 201 HB2 ASP 13 3.903 -31.577 -9.661 1.00 30.22 ATOM 202 CG ASP 13 4.638 -29.981 -8.471 1.00 23.12 ATOM 203 OD1 ASP 13 3.861 -29.120 -8.928 1.00 44.50 ATOM 204 OD2 ASP 13 5.258 -29.819 -7.401 1.00 35.45 ATOM 205 C ASP 13 6.100 -32.401 -11.107 1.00 40.12 ATOM 206 O ASP 13 5.168 -33.035 -11.604 1.00 74.43 ATOM 207 N HIS 14 7.358 -32.830 -11.159 1.00 73.15 ATOM 208 HN HIS 14 8.073 -32.254 -10.818 1.00 37.05 ATOM 209 CA HIS 14 7.697 -34.137 -11.729 1.00 10.43 ATOM 210 HA HIS 14 7.143 -34.242 -12.652 1.00 12.13 ATOM 211 CB HIS 14 9.200 -34.211 -12.046 1.00 42.22 ATOM 212 HB1 HIS 14 9.761 -34.027 -11.141 1.00 37.05 ATOM 213 HB2 HIS 14 9.446 -33.451 -12.773 1.00 14.50 ATOM 214 CG HIS 14 9.646 -35.531 -12.601 1.00 53.33 ATOM 215 ND1 HIS 14 10.579 -36.327 -11.976 1.00 2.22 ATOM 216 HD1 HIS 14 11.040 -36.118 -11.135 1.00 12.10 ATOM 217 CD2 HIS 14 9.288 -36.192 -13.727 1.00 73.42 ATOM 218 HD2 HIS 14 8.572 -35.860 -14.467 1.00 22.52 ATOM 219 CE1 HIS 14 10.775 -37.416 -12.688 1.00 21.15 ATOM 220 HE1 HIS 14 11.452 -38.219 -12.438 1.00 63.33 ATOM 221 NE2 HIS 14 10.005 -37.361 -13.755 1.00 52.13 ATOM 222 HE2 HIS 14 9.830 -38.119 -14.357 1.00 37.05 ATOM 223 C HIS 14 7.274 -35.275 -10.777 1.00 24.13 ATOM 224 O HIS 14 8.084 -35.800 -10.008 1.00 44.03 ATOM 225 N GLY 15 5.988 -35.620 -10.819 1.00 64.20 ATOM 226 HN GLY 15 5.389 -35.145 -11.435 1.00 37.05 ATOM 227 CA GLY 15 5.454 -36.675 -9.965 1.00 72.43 ATOM 228 HA1 GLY 15 5.690 -36.444 -8.935 1.00 37.05 ATOM 229 HA2 GLY 15 5.927 -37.610 -10.228 1.00 1.11 ATOM 230 C GLY 15 3.941 -36.836 -10.097 1.00 35.44 ATOM 231 O GLY 15 3.461 -37.808 -10.684 1.00 51.12 ATOM 232 N ASP 16 3.187 -35.881 -9.555 1.00 53.52 ATOM 233 HN ASP 16 3.621 -35.138 -9.088 1.00 37.05 ATOM 234 CA ASP 16 1.724 -35.921 -9.621 1.00 51.32 ATOM 235 HA ASP 16 1.409 -36.912 -9.325 1.00 21.24 ATOM 236 CB ASP 16 1.116 -34.902 -8.649 1.00 43.10 ATOM 237 HB1 ASP 16 0.038 -34.993 -8.670 1.00 37.05 ATOM 238 HB2 ASP 16 1.390 -33.904 -8.965 1.00 34.10 ATOM 239 CG ASP 16 1.588 -35.102 -7.223 1.00 2.34 ATOM 240 OD1 ASP 16 1.030 -35.971 -6.521 1.00 11.44 ATOM 241 OD2 ASP 16 2.508 -34.377 -6.792 1.00 12.23 ATOM 242 C ASP 16 1.209 -35.645 -11.045 1.00 3.40 ATOM 243 O ASP 16 0.928 -34.500 -11.406 1.00 43.43 ATOM 244 N TRP 17 1.114 -36.697 -11.854 1.00 52.43 ATOM 245 HN TRP 17 1.453 -37.563 -11.544 1.00 37.05 ATOM 246 CA TRP 17 0.538 -36.599 -13.202 1.00 43.32 ATOM 247 HA TRP 17 0.039 -35.642 -13.281 1.00 54.14 ATOM 248 CB TRP 17 1.637 -36.677 -14.276 1.00 34.33 ATOM 249 HB1 TRP 17 1.176 -36.781 -15.250 1.00 37.05 ATOM 250 HB2 TRP 17 2.256 -37.541 -14.087 1.00 33.43 ATOM 251 CG TRP 17 2.530 -35.468 -14.312 1.00 3.20 ATOM 252 CD1 TRP 17 3.699 -35.289 -13.632 1.00 64.13 ATOM 253 HD1 TRP 17 4.135 -36.020 -12.967 1.00 70.01 ATOM 254 CD2 TRP 17 2.320 -34.270 -15.072 1.00 41.13 ATOM 255 NE1 TRP 17 4.227 -34.055 -13.921 1.00 12.15 ATOM 256 HE1 TRP 17 5.060 -33.692 -13.554 1.00 34.33 ATOM 257 CE2 TRP 17 3.400 -33.410 -14.801 1.00 74.41 ATOM 258 CE3 TRP 17 1.323 -33.840 -15.957 1.00 73.54 ATOM 259 HE3 TRP 17 0.476 -34.469 -16.192 1.00 40.51 ATOM 260 CZ2 TRP 17 3.511 -32.149 -15.380 1.00 23.24 ATOM 261 HZ2 TRP 17 4.343 -31.494 -15.166 1.00 0.42 ATOM 262 CZ3 TRP 17 1.435 -32.588 -16.530 1.00 3.14 ATOM 263 HZ3 TRP 17 0.673 -32.238 -17.214 1.00 54.34 ATOM 264 CH2 TRP 17 2.522 -31.754 -16.240 1.00 60.13 ATOM 265 HH2 TRP 17 2.568 -30.783 -16.709 1.00 43.31 ATOM 266 C TRP 17 -0.498 -37.709 -13.431 1.00 75.13 ATOM 267 O TRP 17 -0.142 -38.880 -13.560 1.00 73.35 ATOM 268 N THR 18 -1.778 -37.326 -13.474 1.00 12.52 ATOM 269 HN THR 18 -1.987 -36.374 -13.352 1.00 37.05 ATOM 270 CA THR 18 -2.894 -38.266 -13.691 1.00 43.53 ATOM 271 HA THR 18 -3.805 -37.732 -13.462 1.00 74.34 ATOM 272 CB THR 18 -2.979 -38.736 -15.176 1.00 44.21 ATOM 273 HB THR 18 -3.931 -39.229 -15.323 1.00 1.32 ATOM 274 OG1 THR 18 -1.930 -39.669 -15.486 1.00 22.34 ATOM 275 HG1 THR 18 -1.121 -39.418 -15.022 1.00 52.01 ATOM 276 CG2 THR 18 -2.902 -37.549 -16.134 1.00 52.43 ATOM 277 HG21 THR 18 -3.718 -36.871 -15.936 1.00 54.43 ATOM 278 HG22 THR 18 -2.968 -37.902 -17.154 1.00 12.35 ATOM 279 HG23 THR 18 -1.963 -37.033 -15.994 1.00 45.14 ATOM 280 C THR 18 -2.812 -39.487 -12.746 1.00 43.54 ATOM 281 O THR 18 -2.476 -39.345 -11.567 1.00 73.20 ATOM 282 N TYR 19 -3.154 -40.672 -13.251 1.00 44.41 ATOM 283 HN TYR 19 -3.447 -40.724 -14.182 1.00 37.05 ATOM 284 CA TYR 19 -3.096 -41.910 -12.463 1.00 30.51 ATOM 285 HA TYR 19 -2.391 -41.752 -11.655 1.00 43.31 ATOM 286 CB TYR 19 -4.478 -42.226 -11.857 1.00 60.13 ATOM 287 HB1 TYR 19 -4.654 -41.559 -11.024 1.00 37.05 ATOM 288 HB2 TYR 19 -4.481 -43.244 -11.494 1.00 34.43 ATOM 289 CG TYR 19 -5.640 -42.074 -12.828 1.00 54.42 ATOM 290 CD1 TYR 19 -6.180 -43.173 -13.486 1.00 65.03 ATOM 291 HD1 TYR 19 -5.760 -44.153 -13.305 1.00 3.31 ATOM 292 CD2 TYR 19 -6.199 -40.825 -13.079 1.00 21.44 ATOM 293 HD2 TYR 19 -5.793 -39.959 -12.575 1.00 14.44 ATOM 294 CE1 TYR 19 -7.239 -43.031 -14.363 1.00 30.32 ATOM 295 HE1 TYR 19 -7.644 -43.899 -14.863 1.00 62.45 ATOM 296 CE2 TYR 19 -7.255 -40.675 -13.955 1.00 2.12 ATOM 297 HE2 TYR 19 -7.670 -39.695 -14.137 1.00 33.23 ATOM 298 CZ TYR 19 -7.772 -41.781 -14.595 1.00 63.33 ATOM 299 OH TYR 19 -8.830 -41.639 -15.466 1.00 51.20 ATOM 300 HH TYR 19 -8.635 -40.933 -16.098 1.00 50.23 ATOM 301 C TYR 19 -2.589 -43.077 -13.326 1.00 31.33 ATOM 302 O TYR 19 -3.289 -43.560 -14.215 1.00 60.13 ATOM 303 N GLU 20 -1.359 -43.517 -13.066 1.00 2.35 ATOM 304 HN GLU 20 -0.879 -43.156 -12.293 1.00 37.05 ATOM 305 CA GLU 20 -0.698 -44.531 -13.901 1.00 33.33 ATOM 306 HA GLU 20 -1.440 -44.955 -14.564 1.00 33.52 ATOM 307 CB GLU 20 0.396 -43.855 -14.749 1.00 22.15 ATOM 308 HB1 GLU 20 0.936 -44.615 -15.297 1.00 37.05 ATOM 309 HB2 GLU 20 1.084 -43.347 -14.087 1.00 1.11 ATOM 310 CG GLU 20 -0.143 -42.836 -15.751 1.00 65.22 ATOM 311 HG1 GLU 20 -0.691 -42.076 -15.209 1.00 37.05 ATOM 312 HG2 GLU 20 -0.814 -43.341 -16.430 1.00 63.01 ATOM 313 CD GLU 20 0.954 -42.165 -16.564 1.00 42.24 ATOM 314 OE1 GLU 20 1.553 -42.833 -17.431 1.00 32.42 ATOM 315 OE2 GLU 20 1.211 -40.960 -16.349 1.00 32.11 ATOM 316 C GLU 20 -0.093 -45.669 -13.054 1.00 25.41 ATOM 317 O GLU 20 -0.544 -45.937 -11.937 1.00 52.03 ATOM 318 N GLU 21 0.911 -46.348 -13.615 1.00 43.11 ATOM 319 HN GLU 21 1.203 -46.092 -14.513 1.00 37.05 ATOM 320 CA GLU 21 1.598 -47.465 -12.947 1.00 51.55 ATOM 321 HA GLU 21 0.862 -48.223 -12.722 1.00 44.31 ATOM 322 CB GLU 21 2.639 -48.054 -13.916 1.00 71.20 ATOM 323 HB1 GLU 21 3.344 -47.276 -14.176 1.00 37.05 ATOM 324 HB2 GLU 21 2.131 -48.374 -14.815 1.00 32.44 ATOM 325 CG GLU 21 3.422 -49.241 -13.366 1.00 12.10 ATOM 326 HG1 GLU 21 2.743 -50.070 -13.218 1.00 37.05 ATOM 327 HG2 GLU 21 3.857 -48.962 -12.416 1.00 54.53 ATOM 328 CD GLU 21 4.539 -49.681 -14.300 1.00 1.11 ATOM 329 OE1 GLU 21 4.356 -50.670 -15.039 1.00 41.30 ATOM 330 OE2 GLU 21 5.604 -49.027 -14.307 1.00 62.11 ATOM 331 C GLU 21 2.289 -47.029 -11.633 1.00 10.11 ATOM 332 O GLU 21 2.556 -45.846 -11.422 1.00 54.10 ATOM 333 N GLN 22 2.569 -48.002 -10.756 1.00 14.24 ATOM 334 HN GLN 22 2.277 -48.915 -10.958 1.00 37.05 ATOM 335 CA GLN 22 3.292 -47.751 -9.497 1.00 4.40 ATOM 336 HA GLN 22 2.637 -47.191 -8.845 1.00 40.21 ATOM 337 CB GLN 22 3.649 -49.087 -8.817 1.00 4.44 ATOM 338 HB1 GLN 22 4.283 -48.887 -7.964 1.00 37.05 ATOM 339 HB2 GLN 22 4.197 -49.699 -9.522 1.00 22.53 ATOM 340 CG GLN 22 2.440 -49.884 -8.337 1.00 54.22 ATOM 341 HG1 GLN 22 2.764 -50.884 -8.080 1.00 37.05 ATOM 342 HG2 GLN 22 1.722 -49.941 -9.142 1.00 41.44 ATOM 343 CD GLN 22 1.753 -49.272 -7.124 1.00 44.34 ATOM 344 OE1 GLN 22 0.538 -49.359 -6.978 1.00 51.13 ATOM 345 NE2 GLN 22 2.522 -48.686 -6.224 1.00 35.40 ATOM 346 HE21 GLN 22 3.490 -48.676 -6.370 1.00 25.04 ATOM 347 HE22 GLN 22 2.087 -48.290 -5.442 1.00 34.22 ATOM 348 C GLN 22 4.580 -46.939 -9.727 1.00 21.53 ATOM 349 O GLN 22 5.404 -47.289 -10.574 1.00 24.15 ATOM 350 N PHE 23 4.747 -45.858 -8.968 1.00 24.01 ATOM 351 HN PHE 23 4.048 -45.615 -8.330 1.00 37.05 ATOM 352 CA PHE 23 5.946 -45.017 -9.068 1.00 54.44 ATOM 353 HA PHE 23 6.117 -44.806 -10.116 1.00 54.14 ATOM 354 CB PHE 23 5.711 -43.695 -8.322 1.00 50.25 ATOM 355 HB1 PHE 23 5.786 -43.876 -7.258 1.00 37.05 ATOM 356 HB2 PHE 23 4.715 -43.340 -8.545 1.00 70.44 ATOM 357 CG PHE 23 6.676 -42.589 -8.675 1.00 62.44 ATOM 358 CD1 PHE 23 6.595 -41.949 -9.904 1.00 44.42 ATOM 359 HD1 PHE 23 5.845 -42.262 -10.616 1.00 14.44 ATOM 360 CD2 PHE 23 7.646 -42.172 -7.772 1.00 20.51 ATOM 361 HD2 PHE 23 7.722 -42.661 -6.812 1.00 10.34 ATOM 362 CE1 PHE 23 7.459 -40.920 -10.225 1.00 62.32 ATOM 363 HE1 PHE 23 7.384 -40.431 -11.186 1.00 41.54 ATOM 364 CE2 PHE 23 8.514 -41.145 -8.092 1.00 52.24 ATOM 365 HE2 PHE 23 9.265 -40.832 -7.381 1.00 44.12 ATOM 366 CZ PHE 23 8.420 -40.518 -9.319 1.00 0.02 ATOM 367 HZ PHE 23 9.097 -39.714 -9.570 1.00 51.31 ATOM 368 C PHE 23 7.169 -45.766 -8.503 1.00 15.12 ATOM 369 O PHE 23 7.428 -45.753 -7.296 1.00 44.04 ATOM 370 N LYS 24 7.907 -46.424 -9.396 1.00 2.23 ATOM 371 HN LYS 24 7.725 -46.278 -10.349 1.00 37.05 ATOM 372 CA LYS 24 8.981 -47.355 -9.019 1.00 13.53 ATOM 373 HA LYS 24 8.546 -48.109 -8.379 1.00 54.24 ATOM 374 CB LYS 24 9.526 -48.042 -10.281 1.00 72.24 ATOM 375 HB1 LYS 24 10.016 -47.299 -10.897 1.00 37.05 ATOM 376 HB2 LYS 24 8.697 -48.459 -10.834 1.00 71.14 ATOM 377 CG LYS 24 10.523 -49.163 -10.004 1.00 61.54 ATOM 378 HG1 LYS 24 11.339 -48.767 -9.417 1.00 37.05 ATOM 379 HG2 LYS 24 10.903 -49.531 -10.945 1.00 2.21 ATOM 380 CD LYS 24 9.884 -50.323 -9.245 1.00 30.40 ATOM 381 HD1 LYS 24 9.043 -50.695 -9.815 1.00 37.05 ATOM 382 HD2 LYS 24 9.538 -49.967 -8.284 1.00 34.23 ATOM 383 CE LYS 24 10.873 -51.461 -9.022 1.00 52.21 ATOM 384 HE1 LYS 24 10.380 -52.249 -8.472 1.00 37.05 ATOM 385 HE2 LYS 24 11.710 -51.091 -8.447 1.00 45.42 ATOM 386 NZ LYS 24 11.381 -52.012 -10.304 1.00 11.14 ATOM 387 HZ1 LYS 24 11.892 -51.277 -10.835 1.00 4.31 ATOM 388 HZ2 LYS 24 10.592 -52.354 -10.885 1.00 75.31 ATOM 389 HZ3 LYS 24 12.029 -52.804 -10.123 1.00 62.45 ATOM 390 C LYS 24 10.129 -46.669 -8.254 1.00 63.14 ATOM 391 O LYS 24 10.823 -47.311 -7.460 1.00 63.23 ATOM 392 N GLN 25 10.316 -45.370 -8.484 1.00 32.33 ATOM 393 HN GLN 25 9.703 -44.903 -9.093 1.00 37.05 ATOM 394 CA GLN 25 11.421 -44.617 -7.867 1.00 63.01 ATOM 395 HA GLN 25 12.340 -44.985 -8.301 1.00 72.12 ATOM 396 CB GLN 25 11.292 -43.123 -8.196 1.00 11.04 ATOM 397 HB1 GLN 25 10.362 -42.757 -7.781 1.00 37.05 ATOM 398 HB2 GLN 25 11.261 -43.007 -9.270 1.00 31.45 ATOM 399 CG GLN 25 12.431 -42.253 -7.656 1.00 72.54 ATOM 400 HG1 GLN 25 12.446 -42.335 -6.577 1.00 37.05 ATOM 401 HG2 GLN 25 12.243 -41.225 -7.931 1.00 4.43 ATOM 402 CD GLN 25 13.798 -42.654 -8.193 1.00 33.43 ATOM 403 OE1 GLN 25 13.920 -43.182 -9.294 1.00 54.11 ATOM 404 NE2 GLN 25 14.840 -42.387 -7.431 1.00 21.43 ATOM 405 HE21 GLN 25 14.685 -41.948 -6.570 1.00 23.13 ATOM 406 HE22 GLN 25 15.725 -42.642 -7.759 1.00 24.13 ATOM 407 C GLN 25 11.490 -44.820 -6.342 1.00 73.43 ATOM 408 O GLN 25 12.573 -45.014 -5.789 1.00 12.21 ATOM 409 N LEU 26 10.336 -44.796 -5.670 1.00 21.42 ATOM 410 HN LEU 26 9.501 -44.645 -6.163 1.00 37.05 ATOM 411 CA LEU 26 10.284 -44.998 -4.211 1.00 33.34 ATOM 412 HA LEU 26 10.838 -44.192 -3.751 1.00 44.45 ATOM 413 CB LEU 26 8.834 -44.951 -3.704 1.00 71.42 ATOM 414 HB1 LEU 26 8.820 -45.308 -2.683 1.00 37.05 ATOM 415 HB2 LEU 26 8.245 -45.629 -4.308 1.00 54.20 ATOM 416 CG LEU 26 8.160 -43.569 -3.737 1.00 55.24 ATOM 417 HG LEU 26 8.096 -43.232 -4.762 1.00 44.11 ATOM 418 CD1 LEU 26 6.739 -43.647 -3.181 1.00 71.31 ATOM 419 HD11 LEU 26 6.285 -42.667 -3.211 1.00 2.32 ATOM 420 HD12 LEU 26 6.768 -43.998 -2.159 1.00 33.42 ATOM 421 HD13 LEU 26 6.155 -44.331 -3.781 1.00 55.21 ATOM 422 CD2 LEU 26 8.986 -42.548 -2.956 1.00 42.32 ATOM 423 HD21 LEU 26 9.098 -42.877 -1.933 1.00 22.54 ATOM 424 HD22 LEU 26 8.486 -41.591 -2.973 1.00 2.11 ATOM 425 HD23 LEU 26 9.961 -42.450 -3.411 1.00 5.43 ATOM 426 C LEU 26 10.930 -46.331 -3.798 1.00 55.25 ATOM 427 O LEU 26 11.581 -46.426 -2.754 1.00 73.11 ATOM 428 N TYR 27 10.754 -47.349 -4.631 1.00 1.12 ATOM 429 HN TYR 27 10.259 -47.197 -5.464 1.00 37.05 ATOM 430 CA TYR 27 11.281 -48.689 -4.354 1.00 55.51 ATOM 431 HA TYR 27 11.112 -48.906 -3.308 1.00 62.31 ATOM 432 CB TYR 27 10.533 -49.726 -5.203 1.00 11.30 ATOM 433 HB1 TYR 27 10.872 -50.716 -4.930 1.00 37.05 ATOM 434 HB2 TYR 27 10.755 -49.554 -6.248 1.00 64.33 ATOM 435 CG TYR 27 9.023 -49.681 -5.034 1.00 13.21 ATOM 436 CD1 TYR 27 8.375 -50.528 -4.143 1.00 41.42 ATOM 437 HD1 TYR 27 8.958 -51.228 -3.568 1.00 52.40 ATOM 438 CD2 TYR 27 8.246 -48.786 -5.764 1.00 21.11 ATOM 439 HD2 TYR 27 8.730 -48.120 -6.463 1.00 3.25 ATOM 440 CE1 TYR 27 7.003 -50.487 -3.984 1.00 23.03 ATOM 441 HE1 TYR 27 6.525 -51.157 -3.285 1.00 41.45 ATOM 442 CE2 TYR 27 6.874 -48.738 -5.610 1.00 24.35 ATOM 443 HE2 TYR 27 6.291 -48.036 -6.187 1.00 31.42 ATOM 444 CZ TYR 27 6.255 -49.589 -4.721 1.00 3.03 ATOM 445 OH TYR 27 4.887 -49.541 -4.569 1.00 43.34 ATOM 446 HH TYR 27 4.668 -49.625 -3.637 1.00 10.40 ATOM 447 C TYR 27 12.789 -48.769 -4.643 1.00 64.33 ATOM 448 O TYR 27 13.520 -49.521 -3.995 1.00 24.13 ATOM 449 N GLU 28 13.247 -47.978 -5.615 1.00 12.21 ATOM 450 HN GLU 28 12.621 -47.371 -6.065 1.00 37.05 ATOM 451 CA GLU 28 14.656 -47.994 -6.039 1.00 11.04 ATOM 452 HA GLU 28 15.070 -48.955 -5.765 1.00 72.20 ATOM 453 CB GLU 28 14.750 -47.841 -7.567 1.00 74.43 ATOM 454 HB1 GLU 28 15.791 -47.885 -7.859 1.00 37.05 ATOM 455 HB2 GLU 28 14.349 -46.877 -7.848 1.00 42.43 ATOM 456 CG GLU 28 13.992 -48.918 -8.337 1.00 35.21 ATOM 457 HG1 GLU 28 12.933 -48.787 -8.165 1.00 37.05 ATOM 458 HG2 GLU 28 14.295 -49.888 -7.967 1.00 14.23 ATOM 459 CD GLU 28 14.252 -48.864 -9.836 1.00 2.22 ATOM 460 OE1 GLU 28 13.698 -47.972 -10.511 1.00 1.51 ATOM 461 OE2 GLU 28 15.011 -49.718 -10.343 1.00 4.13 ATOM 462 C GLU 28 15.492 -46.897 -5.351 1.00 23.04 ATOM 463 O GLU 28 16.683 -46.762 -5.625 1.00 45.54 ATOM 464 N LEU 29 14.866 -46.125 -4.456 1.00 65.13 ATOM 465 HN LEU 29 13.906 -46.258 -4.309 1.00 37.05 ATOM 466 CA LEU 29 15.566 -45.062 -3.706 1.00 52.24 ATOM 467 HA LEU 29 15.827 -44.283 -4.408 1.00 45.20 ATOM 468 CB LEU 29 14.639 -44.468 -2.629 1.00 74.03 ATOM 469 HB1 LEU 29 15.243 -43.879 -1.952 1.00 37.05 ATOM 470 HB2 LEU 29 14.208 -45.287 -2.069 1.00 42.32 ATOM 471 CG LEU 29 13.494 -43.580 -3.139 1.00 61.32 ATOM 472 HG LEU 29 12.915 -44.132 -3.864 1.00 55.11 ATOM 473 CD1 LEU 29 12.561 -43.196 -1.992 1.00 32.34 ATOM 474 HD11 LEU 29 13.115 -42.653 -1.239 1.00 21.14 ATOM 475 HD12 LEU 29 12.143 -44.091 -1.554 1.00 64.41 ATOM 476 HD13 LEU 29 11.762 -42.575 -2.370 1.00 72.34 ATOM 477 CD2 LEU 29 14.044 -42.330 -3.824 1.00 73.44 ATOM 478 HD21 LEU 29 14.684 -42.621 -4.645 1.00 71.33 ATOM 479 HD22 LEU 29 14.613 -41.747 -3.112 1.00 52.32 ATOM 480 HD23 LEU 29 13.225 -41.736 -4.201 1.00 44.53 ATOM 481 C LEU 29 16.853 -45.569 -3.028 1.00 22.02 ATOM 482 O LEU 29 17.911 -44.943 -3.123 1.00 31.32 ATOM 483 N ASP 30 16.751 -46.700 -2.335 1.00 34.12 ATOM 484 HN ASP 30 15.903 -47.185 -2.347 1.00 37.05 ATOM 485 CA ASP 30 17.870 -47.235 -1.549 1.00 23.03 ATOM 486 HA ASP 30 18.594 -46.443 -1.420 1.00 53.11 ATOM 487 CB ASP 30 17.353 -47.654 -0.174 1.00 71.41 ATOM 488 HB1 ASP 30 16.625 -48.445 -0.297 1.00 37.05 ATOM 489 HB2 ASP 30 16.871 -46.806 0.290 1.00 11.53 ATOM 490 CG ASP 30 18.445 -48.143 0.755 1.00 73.41 ATOM 491 OD1 ASP 30 18.570 -49.364 0.932 1.00 63.13 ATOM 492 OD2 ASP 30 19.173 -47.302 1.325 1.00 32.43 ATOM 493 C ASP 30 18.559 -48.421 -2.247 1.00 52.51 ATOM 494 O ASP 30 19.781 -48.555 -2.202 1.00 45.23 ATOM 495 N GLY 31 17.772 -49.279 -2.889 1.00 65.14 ATOM 496 HN GLY 31 16.809 -49.123 -2.909 1.00 37.05 ATOM 497 CA GLY 31 18.333 -50.443 -3.571 1.00 2.34 ATOM 498 HA1 GLY 31 19.380 -50.262 -3.775 1.00 37.05 ATOM 499 HA2 GLY 31 17.816 -50.570 -4.511 1.00 63.13 ATOM 500 C GLY 31 18.205 -51.736 -2.765 1.00 11.32 ATOM 501 O GLY 31 18.187 -52.828 -3.336 1.00 22.54 ATOM 502 N ASP 32 18.108 -51.621 -1.439 1.00 75.02 ATOM 503 HN ASP 32 18.112 -50.726 -1.030 1.00 37.05 ATOM 504 CA ASP 32 17.981 -52.797 -0.573 1.00 42.21 ATOM 505 HA ASP 32 18.568 -53.594 -1.010 1.00 60.44 ATOM 506 CB ASP 32 18.523 -52.492 0.832 1.00 14.23 ATOM 507 HB1 ASP 32 18.230 -53.290 1.502 1.00 37.05 ATOM 508 HB2 ASP 32 18.095 -51.564 1.182 1.00 50.05 ATOM 509 CG ASP 32 20.039 -52.364 0.868 1.00 65.34 ATOM 510 OD1 ASP 32 20.667 -52.944 1.780 1.00 12.21 ATOM 511 OD2 ASP 32 20.616 -51.700 -0.016 1.00 72.14 ATOM 512 C ASP 32 16.520 -53.259 -0.481 1.00 54.14 ATOM 513 O ASP 32 15.595 -52.446 -0.584 1.00 64.21 ATOM 514 N PRO 33 16.288 -54.573 -0.274 1.00 13.22 ATOM 515 CA PRO 33 14.932 -55.123 -0.127 1.00 23.15 ATOM 516 HA PRO 33 14.394 -55.085 -1.063 1.00 22.13 ATOM 517 CB PRO 33 15.168 -56.594 0.273 1.00 14.21 ATOM 518 HB1 PRO 33 14.938 -57.237 -0.566 1.00 37.05 ATOM 519 HB2 PRO 33 14.534 -56.854 1.109 1.00 11.34 ATOM 520 CG PRO 33 16.616 -56.681 0.640 1.00 74.13 ATOM 521 HG1 PRO 33 17.001 -57.661 0.395 1.00 37.05 ATOM 522 HG2 PRO 33 16.741 -56.484 1.697 1.00 65.21 ATOM 523 CD PRO 33 17.312 -55.626 -0.173 1.00 50.00 ATOM 524 HD1 PRO 33 17.571 -56.007 -1.150 1.00 37.05 ATOM 525 HD2 PRO 33 18.193 -55.267 0.342 1.00 75.05 ATOM 526 C PRO 33 14.123 -54.381 0.949 1.00 72.23 ATOM 527 O PRO 33 12.919 -54.163 0.800 1.00 61.53 ATOM 528 N LYS 34 14.818 -53.954 2.004 1.00 54.11 ATOM 529 HN LYS 34 15.780 -54.129 2.029 1.00 37.05 ATOM 530 CA LYS 34 14.202 -53.239 3.128 1.00 40.22 ATOM 531 HA LYS 34 13.556 -53.933 3.646 1.00 5.33 ATOM 532 CB LYS 34 15.294 -52.762 4.097 1.00 42.03 ATOM 533 HB1 LYS 34 14.824 -52.254 4.928 1.00 37.05 ATOM 534 HB2 LYS 34 15.935 -52.061 3.580 1.00 31.25 ATOM 535 CG LYS 34 16.170 -53.884 4.655 1.00 14.21 ATOM 536 HG1 LYS 34 16.977 -53.444 5.224 1.00 37.05 ATOM 537 HG2 LYS 34 16.581 -54.447 3.830 1.00 0.52 ATOM 538 CD LYS 34 15.389 -54.836 5.559 1.00 63.51 ATOM 539 HD1 LYS 34 16.055 -55.621 5.895 1.00 37.05 ATOM 540 HD2 LYS 34 14.578 -55.272 4.993 1.00 31.32 ATOM 541 CE LYS 34 14.811 -54.122 6.778 1.00 53.15 ATOM 542 HE1 LYS 34 14.286 -54.844 7.387 1.00 37.05 ATOM 543 HE2 LYS 34 14.115 -53.365 6.444 1.00 71.34 ATOM 544 NZ LYS 34 15.867 -53.473 7.602 1.00 50.43 ATOM 545 HZ1 LYS 34 16.539 -54.185 7.956 1.00 71.15 ATOM 546 HZ2 LYS 34 15.438 -52.986 8.414 1.00 20.00 ATOM 547 HZ3 LYS 34 16.388 -52.774 7.036 1.00 45.12 ATOM 548 C LYS 34 13.365 -52.034 2.665 1.00 54.35 ATOM 549 O LYS 34 12.324 -51.733 3.251 1.00 71.24 ATOM 550 N ARG 35 13.818 -51.352 1.608 1.00 44.54 ATOM 551 HN ARG 35 14.639 -51.653 1.160 1.00 37.05 ATOM 552 CA ARG 35 13.116 -50.167 1.102 1.00 42.34 ATOM 553 HA ARG 35 13.063 -49.459 1.914 1.00 51.04 ATOM 554 CB ARG 35 13.897 -49.518 -0.057 1.00 5.42 ATOM 555 HB1 ARG 35 14.074 -50.265 -0.819 1.00 37.05 ATOM 556 HB2 ARG 35 14.850 -49.169 0.317 1.00 54.02 ATOM 557 CG ARG 35 13.173 -48.331 -0.707 1.00 34.10 ATOM 558 HG1 ARG 35 12.243 -48.684 -1.133 1.00 37.05 ATOM 559 HG2 ARG 35 13.797 -47.935 -1.496 1.00 21.51 ATOM 560 CD ARG 35 12.867 -47.204 0.290 1.00 21.31 ATOM 561 HD1 ARG 35 12.623 -47.643 1.248 1.00 37.05 ATOM 562 HD2 ARG 35 12.012 -46.651 -0.071 1.00 21.30 ATOM 563 NE ARG 35 13.983 -46.266 0.467 1.00 34.11 ATOM 564 HE ARG 35 14.045 -45.518 -0.160 1.00 51.11 ATOM 565 CZ ARG 35 14.867 -46.332 1.430 1.00 53.24 ATOM 566 NH1 ARG 35 14.897 -47.339 2.242 1.00 51.54 ATOM 567 HH11 ARG 35 14.245 -48.080 2.145 1.00 40.31 ATOM 568 HH12 ARG 35 15.595 -47.377 2.959 1.00 13.02 ATOM 569 NH2 ARG 35 15.751 -45.397 1.561 1.00 54.50 ATOM 570 HH21 ARG 35 15.763 -44.625 0.929 1.00 22.40 ATOM 571 HH22 ARG 35 16.426 -45.452 2.297 1.00 74.42 ATOM 572 C ARG 35 11.683 -50.508 0.650 1.00 50.44 ATOM 573 O ARG 35 10.710 -49.921 1.128 1.00 22.25 ATOM 574 N LYS 36 11.564 -51.463 -0.268 1.00 4.44 ATOM 575 HN LYS 36 12.362 -51.934 -0.563 1.00 37.05 ATOM 576 CA LYS 36 10.260 -51.831 -0.829 1.00 21.14 ATOM 577 HA LYS 36 9.718 -50.909 -0.998 1.00 13.45 ATOM 578 CB LYS 36 10.409 -52.553 -2.183 1.00 52.31 ATOM 579 HB1 LYS 36 10.896 -51.880 -2.877 1.00 37.05 ATOM 580 HB2 LYS 36 9.420 -52.774 -2.560 1.00 54.15 ATOM 581 CG LYS 36 11.200 -53.863 -2.148 1.00 2.11 ATOM 582 HG1 LYS 36 10.809 -54.521 -2.912 1.00 37.05 ATOM 583 HG2 LYS 36 11.068 -54.324 -1.180 1.00 42.52 ATOM 584 CD LYS 36 12.697 -53.658 -2.391 1.00 24.52 ATOM 585 HD1 LYS 36 13.190 -54.619 -2.337 1.00 37.05 ATOM 586 HD2 LYS 36 13.098 -53.012 -1.627 1.00 42.23 ATOM 587 CE LYS 36 12.984 -53.039 -3.754 1.00 20.13 ATOM 588 HE1 LYS 36 14.046 -52.858 -3.835 1.00 37.05 ATOM 589 HE2 LYS 36 12.454 -52.100 -3.829 1.00 35.43 ATOM 590 NZ LYS 36 12.557 -53.928 -4.871 1.00 54.14 ATOM 591 HZ1 LYS 36 11.530 -54.083 -4.834 1.00 3.31 ATOM 592 HZ2 LYS 36 13.037 -54.850 -4.799 1.00 60.53 ATOM 593 HZ3 LYS 36 12.799 -53.497 -5.786 1.00 51.55 ATOM 594 C LYS 36 9.434 -52.688 0.142 1.00 33.21 ATOM 595 O LYS 36 8.207 -52.601 0.154 1.00 70.20 ATOM 596 N GLU 37 10.101 -53.514 0.953 1.00 5.11 ATOM 597 HN GLU 37 11.077 -53.578 0.877 1.00 37.05 ATOM 598 CA GLU 37 9.404 -54.331 1.959 1.00 13.41 ATOM 599 HA GLU 37 8.690 -54.955 1.438 1.00 65.40 ATOM 600 CB GLU 37 10.393 -55.231 2.712 1.00 44.13 ATOM 601 HB1 GLU 37 9.871 -55.719 3.525 1.00 37.05 ATOM 602 HB2 GLU 37 11.181 -54.615 3.123 1.00 25.24 ATOM 603 CG GLU 37 11.035 -56.307 1.844 1.00 21.42 ATOM 604 HG1 GLU 37 11.579 -55.828 1.042 1.00 37.05 ATOM 605 HG2 GLU 37 10.254 -56.926 1.425 1.00 55.12 ATOM 606 CD GLU 37 11.995 -57.189 2.628 1.00 43.33 ATOM 607 OE1 GLU 37 11.673 -58.372 2.866 1.00 12.12 ATOM 608 OE2 GLU 37 13.071 -56.698 3.027 1.00 21.11 ATOM 609 C GLU 37 8.644 -53.445 2.956 1.00 73.44 ATOM 610 O GLU 37 7.470 -53.692 3.256 1.00 1.41 ATOM 611 N PHE 38 9.324 -52.412 3.460 1.00 43.34 ATOM 612 HN PHE 38 10.277 -52.319 3.241 1.00 37.05 ATOM 613 CA PHE 38 8.697 -51.419 4.339 1.00 10.21 ATOM 614 HA PHE 38 8.353 -51.934 5.226 1.00 14.14 ATOM 615 CB PHE 38 9.721 -50.348 4.749 1.00 45.03 ATOM 616 HB1 PHE 38 10.146 -49.908 3.857 1.00 37.05 ATOM 617 HB2 PHE 38 10.512 -50.815 5.318 1.00 73.34 ATOM 618 CG PHE 38 9.144 -49.229 5.591 1.00 63.31 ATOM 619 CD1 PHE 38 8.753 -48.029 5.007 1.00 23.03 ATOM 620 HD1 PHE 38 8.863 -47.898 3.938 1.00 74.12 ATOM 621 CD2 PHE 38 8.995 -49.378 6.963 1.00 2.34 ATOM 622 HD2 PHE 38 9.294 -50.305 7.433 1.00 72.44 ATOM 623 CE1 PHE 38 8.228 -47.007 5.774 1.00 54.43 ATOM 624 HE1 PHE 38 7.929 -46.079 5.307 1.00 42.13 ATOM 625 CE2 PHE 38 8.471 -48.357 7.733 1.00 30.43 ATOM 626 HE2 PHE 38 8.361 -48.486 8.799 1.00 4.34 ATOM 627 CZ PHE 38 8.086 -47.171 7.138 1.00 41.23 ATOM 628 HZ PHE 38 7.676 -46.372 7.739 1.00 44.54 ATOM 629 C PHE 38 7.494 -50.758 3.649 1.00 32.31 ATOM 630 O PHE 38 6.414 -50.652 4.231 1.00 62.30 ATOM 631 N LEU 39 7.692 -50.317 2.405 1.00 52.24 ATOM 632 HN LEU 39 8.586 -50.407 2.004 1.00 37.05 ATOM 633 CA LEU 39 6.618 -49.693 1.622 1.00 44.11 ATOM 634 HA LEU 39 6.294 -48.812 2.159 1.00 43.31 ATOM 635 CB LEU 39 7.140 -49.264 0.243 1.00 21.15 ATOM 636 HB1 LEU 39 6.307 -48.885 -0.333 1.00 37.05 ATOM 637 HB2 LEU 39 7.531 -50.140 -0.257 1.00 35.42 ATOM 638 CG LEU 39 8.242 -48.188 0.259 1.00 63.23 ATOM 639 HG LEU 39 9.096 -48.568 0.802 1.00 10.44 ATOM 640 CD1 LEU 39 8.700 -47.864 -1.161 1.00 70.40 ATOM 641 HD11 LEU 39 9.487 -47.123 -1.127 1.00 24.51 ATOM 642 HD12 LEU 39 7.867 -47.475 -1.731 1.00 52.05 ATOM 643 HD13 LEU 39 9.072 -48.761 -1.635 1.00 14.54 ATOM 644 CD2 LEU 39 7.757 -46.925 0.970 1.00 31.51 ATOM 645 HD21 LEU 39 6.883 -46.538 0.465 1.00 22.14 ATOM 646 HD22 LEU 39 8.539 -46.179 0.954 1.00 5.34 ATOM 647 HD23 LEU 39 7.507 -47.159 1.994 1.00 52.31 ATOM 648 C LEU 39 5.411 -50.634 1.459 1.00 71.23 ATOM 649 O LEU 39 4.268 -50.217 1.612 1.00 21.33 ATOM 650 N ASP 40 5.674 -51.904 1.161 1.00 14.31 ATOM 651 HN ASP 40 6.606 -52.179 1.038 1.00 37.05 ATOM 652 CA ASP 40 4.608 -52.902 1.008 1.00 3.20 ATOM 653 HA ASP 40 3.944 -52.555 0.226 1.00 54.34 ATOM 654 CB ASP 40 5.208 -54.249 0.587 1.00 1.04 ATOM 655 HB1 ASP 40 6.000 -54.514 1.274 1.00 37.05 ATOM 656 HB2 ASP 40 5.620 -54.155 -0.407 1.00 14.10 ATOM 657 CG ASP 40 4.179 -55.368 0.578 1.00 15.53 ATOM 658 OD1 ASP 40 4.166 -56.177 1.532 1.00 52.13 ATOM 659 OD2 ASP 40 3.372 -55.436 -0.375 1.00 33.35 ATOM 660 C ASP 40 3.794 -53.063 2.307 1.00 13.54 ATOM 661 O ASP 40 2.560 -52.982 2.293 1.00 52.24 ATOM 662 N ASP 41 4.491 -53.280 3.424 1.00 33.21 ATOM 663 HN ASP 41 5.471 -53.327 3.373 1.00 37.05 ATOM 664 CA ASP 41 3.837 -53.450 4.725 1.00 2.21 ATOM 665 HA ASP 41 3.135 -54.270 4.641 1.00 15.45 ATOM 666 CB ASP 41 4.882 -53.797 5.795 1.00 54.50 ATOM 667 HB1 ASP 41 5.473 -52.919 6.013 1.00 37.05 ATOM 668 HB2 ASP 41 5.532 -54.573 5.414 1.00 51.42 ATOM 669 CG ASP 41 4.252 -54.290 7.085 1.00 42.45 ATOM 670 OD1 ASP 41 4.056 -53.483 8.015 1.00 54.12 ATOM 671 OD2 ASP 41 3.944 -55.496 7.172 1.00 2.45 ATOM 672 C ASP 41 3.069 -52.177 5.119 1.00 25.30 ATOM 673 O ASP 41 1.954 -52.244 5.644 1.00 33.12 ATOM 674 N LEU 42 3.677 -51.024 4.840 1.00 71.42 ATOM 675 HN LEU 42 4.569 -51.049 4.432 1.00 37.05 ATOM 676 CA LEU 42 3.068 -49.721 5.122 1.00 53.40 ATOM 677 HA LEU 42 2.816 -49.689 6.172 1.00 72.11 ATOM 678 CB LEU 42 4.078 -48.604 4.821 1.00 4.32 ATOM 679 HB1 LEU 42 4.377 -48.692 3.786 1.00 37.05 ATOM 680 HB2 LEU 42 4.951 -48.762 5.441 1.00 51.32 ATOM 681 CG LEU 42 3.570 -47.171 5.055 1.00 63.30 ATOM 682 HG LEU 42 2.639 -47.041 4.521 1.00 72.42 ATOM 683 CD1 LEU 42 3.291 -46.922 6.537 1.00 45.14 ATOM 684 HD11 LEU 42 4.195 -47.080 7.109 1.00 61.01 ATOM 685 HD12 LEU 42 2.524 -47.602 6.882 1.00 62.00 ATOM 686 HD13 LEU 42 2.954 -45.905 6.674 1.00 10.55 ATOM 687 CD2 LEU 42 4.567 -46.153 4.507 1.00 52.25 ATOM 688 HD21 LEU 42 4.741 -46.345 3.458 1.00 5.34 ATOM 689 HD22 LEU 42 5.499 -46.231 5.047 1.00 11.23 ATOM 690 HD23 LEU 42 4.166 -45.156 4.626 1.00 44.31 ATOM 691 C LEU 42 1.792 -49.499 4.295 1.00 13.35 ATOM 692 O LEU 42 0.712 -49.297 4.850 1.00 54.42 ATOM 693 N PHE 43 1.924 -49.552 2.967 1.00 33.13 ATOM 694 HN PHE 43 2.804 -49.748 2.588 1.00 37.05 ATOM 695 CA PHE 43 0.796 -49.316 2.055 1.00 3.33 ATOM 696 HA PHE 43 0.471 -48.295 2.199 1.00 14.22 ATOM 697 CB PHE 43 1.233 -49.491 0.591 1.00 71.32 ATOM 698 HB1 PHE 43 0.372 -49.357 -0.051 1.00 37.05 ATOM 699 HB2 PHE 43 1.617 -50.493 0.460 1.00 71.55 ATOM 700 CG PHE 43 2.305 -48.525 0.133 1.00 64.14 ATOM 701 CD1 PHE 43 2.626 -47.396 0.879 1.00 52.53 ATOM 702 HD1 PHE 43 2.105 -47.205 1.807 1.00 42.00 ATOM 703 CD2 PHE 43 2.989 -48.750 -1.053 1.00 2.32 ATOM 704 HD2 PHE 43 2.750 -49.622 -1.645 1.00 44.10 ATOM 705 CE1 PHE 43 3.606 -46.520 0.451 1.00 75.42 ATOM 706 HE1 PHE 43 3.846 -45.647 1.040 1.00 31.12 ATOM 707 CE2 PHE 43 3.969 -47.877 -1.484 1.00 53.40 ATOM 708 HE2 PHE 43 4.495 -48.069 -2.409 1.00 2.30 ATOM 709 CZ PHE 43 4.278 -46.761 -0.731 1.00 34.44 ATOM 710 HZ PHE 43 5.044 -46.077 -1.066 1.00 53.43 ATOM 711 C PHE 43 -0.386 -50.247 2.363 1.00 2.12 ATOM 712 O PHE 43 -1.544 -49.835 2.296 1.00 0.03 ATOM 713 N SER 44 -0.088 -51.503 2.688 1.00 43.12 ATOM 714 HN SER 44 0.850 -51.793 2.660 1.00 37.05 ATOM 715 CA SER 44 -1.126 -52.469 3.080 1.00 41.30 ATOM 716 HA SER 44 -1.871 -52.490 2.296 1.00 75.13 ATOM 717 CB SER 44 -0.526 -53.876 3.237 1.00 3.02 ATOM 718 HB1 SER 44 -1.306 -54.569 3.521 1.00 37.05 ATOM 719 HB2 SER 44 0.234 -53.860 4.004 1.00 20.22 ATOM 720 OG SER 44 0.065 -54.327 2.024 1.00 54.43 ATOM 721 HG SER 44 1.027 -54.242 2.083 1.00 3.22 ATOM 722 C SER 44 -1.804 -52.043 4.391 1.00 1.42 ATOM 723 O SER 44 -3.030 -52.000 4.485 1.00 10.23 ATOM 724 N PHE 45 -0.994 -51.701 5.391 1.00 51.11 ATOM 725 HN PHE 45 -0.024 -51.711 5.240 1.00 37.05 ATOM 726 CA PHE 45 -1.505 -51.303 6.709 1.00 71.52 ATOM 727 HA PHE 45 -2.120 -52.112 7.079 1.00 61.23 ATOM 728 CB PHE 45 -0.333 -51.094 7.682 1.00 31.33 ATOM 729 HB1 PHE 45 0.328 -50.341 7.279 1.00 37.05 ATOM 730 HB2 PHE 45 0.212 -52.023 7.782 1.00 15.32 ATOM 731 CG PHE 45 -0.756 -50.658 9.063 1.00 22.32 ATOM 732 CD1 PHE 45 -1.349 -51.556 9.939 1.00 43.31 ATOM 733 HD1 PHE 45 -1.508 -52.577 9.625 1.00 20.21 ATOM 734 CD2 PHE 45 -0.558 -49.350 9.485 1.00 42.31 ATOM 735 HD2 PHE 45 -0.097 -48.639 8.813 1.00 14.13 ATOM 736 CE1 PHE 45 -1.736 -51.158 11.204 1.00 11.11 ATOM 737 HE1 PHE 45 -2.198 -51.867 11.877 1.00 74.21 ATOM 738 CE2 PHE 45 -0.942 -48.950 10.748 1.00 31.11 ATOM 739 HE2 PHE 45 -0.781 -47.931 11.064 1.00 12.51 ATOM 740 CZ PHE 45 -1.532 -49.853 11.608 1.00 11.43 ATOM 741 HZ PHE 45 -1.833 -49.538 12.596 1.00 62.13 ATOM 742 C PHE 45 -2.366 -50.026 6.634 1.00 22.31 ATOM 743 O PHE 45 -3.529 -50.021 7.049 1.00 73.01 ATOM 744 N MET 46 -1.790 -48.947 6.102 1.00 21.22 ATOM 745 HN MET 46 -0.871 -49.018 5.764 1.00 37.05 ATOM 746 CA MET 46 -2.489 -47.659 6.011 1.00 30.41 ATOM 747 HA MET 46 -2.755 -47.369 7.019 1.00 64.23 ATOM 748 CB MET 46 -1.560 -46.578 5.424 1.00 51.22 ATOM 749 HB1 MET 46 -0.704 -46.462 6.078 1.00 37.05 ATOM 750 HB2 MET 46 -2.098 -45.642 5.389 1.00 52.34 ATOM 751 CG MET 46 -1.049 -46.884 4.020 1.00 52.40 ATOM 752 HG1 MET 46 -1.892 -46.916 3.343 1.00 37.05 ATOM 753 HG2 MET 46 -0.564 -47.848 4.029 1.00 2.22 ATOM 754 SD MET 46 0.129 -45.657 3.414 1.00 64.24 ATOM 755 CE MET 46 -0.886 -44.180 3.380 1.00 3.53 ATOM 756 HE1 MET 46 -1.713 -44.327 2.701 1.00 20.22 ATOM 757 HE2 MET 46 -0.291 -43.343 3.046 1.00 75.32 ATOM 758 HE3 MET 46 -1.264 -43.979 4.372 1.00 10.23 ATOM 759 C MET 46 -3.787 -47.771 5.186 1.00 73.22 ATOM 760 O MET 46 -4.830 -47.241 5.576 1.00 53.13 ATOM 761 N GLN 47 -3.730 -48.484 4.060 1.00 65.20 ATOM 762 HN GLN 47 -2.882 -48.910 3.808 1.00 37.05 ATOM 763 CA GLN 47 -4.900 -48.651 3.189 1.00 23.53 ATOM 764 HA GLN 47 -5.238 -47.664 2.905 1.00 44.33 ATOM 765 CB GLN 47 -4.503 -49.417 1.918 1.00 1.13 ATOM 766 HB1 GLN 47 -4.049 -50.356 2.206 1.00 37.05 ATOM 767 HB2 GLN 47 -3.773 -48.831 1.376 1.00 24.22 ATOM 768 CG GLN 47 -5.666 -49.718 0.978 1.00 31.14 ATOM 769 HG1 GLN 47 -6.250 -48.817 0.844 1.00 37.05 ATOM 770 HG2 GLN 47 -6.285 -50.483 1.424 1.00 60.44 ATOM 771 CD GLN 47 -5.205 -50.204 -0.385 1.00 44.11 ATOM 772 OE1 GLN 47 -4.142 -49.823 -0.870 1.00 0.43 ATOM 773 NE2 GLN 47 -5.992 -51.053 -1.009 1.00 33.13 ATOM 774 HE21 GLN 47 -6.823 -51.326 -0.568 1.00 53.21 ATOM 775 HE22 GLN 47 -5.713 -51.373 -1.891 1.00 11.44 ATOM 776 C GLN 47 -6.050 -49.371 3.908 1.00 52.32 ATOM 777 O GLN 47 -7.188 -48.898 3.909 1.00 63.53 ATOM 778 N LYS 48 -5.744 -50.502 4.539 1.00 63.22 ATOM 779 HN LYS 48 -4.811 -50.812 4.538 1.00 37.05 ATOM 780 CA LYS 48 -6.761 -51.305 5.231 1.00 50.12 ATOM 781 HA LYS 48 -7.516 -51.565 4.502 1.00 64.01 ATOM 782 CB LYS 48 -6.141 -52.599 5.769 1.00 2.25 ATOM 783 HB1 LYS 48 -6.880 -53.122 6.360 1.00 37.05 ATOM 784 HB2 LYS 48 -5.300 -52.347 6.401 1.00 21.42 ATOM 785 CG LYS 48 -5.651 -53.541 4.674 1.00 30.10 ATOM 786 HG1 LYS 48 -4.918 -53.024 4.070 1.00 37.05 ATOM 787 HG2 LYS 48 -6.491 -53.826 4.057 1.00 44.23 ATOM 788 CD LYS 48 -5.016 -54.803 5.252 1.00 0.24 ATOM 789 HD1 LYS 48 -5.756 -55.331 5.837 1.00 37.05 ATOM 790 HD2 LYS 48 -4.188 -54.519 5.887 1.00 1.10 ATOM 791 CE LYS 48 -4.500 -55.725 4.156 1.00 2.35 ATOM 792 HE1 LYS 48 -4.045 -56.591 4.614 1.00 37.05 ATOM 793 HE2 LYS 48 -3.757 -55.195 3.576 1.00 20.12 ATOM 794 NZ LYS 48 -5.589 -56.175 3.249 1.00 73.32 ATOM 795 HZ1 LYS 48 -6.069 -55.354 2.826 1.00 54.40 ATOM 796 HZ2 LYS 48 -6.287 -56.734 3.778 1.00 14.00 ATOM 797 HZ3 LYS 48 -5.201 -56.764 2.487 1.00 14.35 ATOM 798 C LYS 48 -7.441 -50.535 6.378 1.00 24.23 ATOM 799 O LYS 48 -8.585 -50.828 6.734 1.00 12.12 ATOM 800 N ARG 49 -6.747 -49.554 6.962 1.00 51.10 ATOM 801 HN ARG 49 -5.832 -49.366 6.660 1.00 37.05 ATOM 802 CA ARG 49 -7.330 -48.761 8.058 1.00 44.21 ATOM 803 HA ARG 49 -8.057 -49.389 8.555 1.00 75.25 ATOM 804 CB ARG 49 -6.264 -48.353 9.090 1.00 63.22 ATOM 805 HB1 ARG 49 -5.703 -49.234 9.373 1.00 37.05 ATOM 806 HB2 ARG 49 -6.764 -47.965 9.967 1.00 22.42 ATOM 807 CG ARG 49 -5.277 -47.296 8.599 1.00 50.40 ATOM 808 HG1 ARG 49 -5.803 -46.585 7.975 1.00 37.05 ATOM 809 HG2 ARG 49 -4.505 -47.781 8.020 1.00 64.35 ATOM 810 CD ARG 49 -4.630 -46.549 9.763 1.00 2.54 ATOM 811 HD1 ARG 49 -3.964 -45.796 9.366 1.00 37.05 ATOM 812 HD2 ARG 49 -4.065 -47.252 10.359 1.00 1.51 ATOM 813 NE ARG 49 -5.635 -45.903 10.611 1.00 33.12 ATOM 814 HE ARG 49 -6.514 -46.330 10.673 1.00 13.15 ATOM 815 CZ ARG 49 -5.447 -44.805 11.293 1.00 62.43 ATOM 816 NH1 ARG 49 -4.313 -44.180 11.259 1.00 22.01 ATOM 817 HH11 ARG 49 -3.568 -44.531 10.708 1.00 22.32 ATOM 818 HH12 ARG 49 -4.194 -43.342 11.796 1.00 11.25 ATOM 819 NH2 ARG 49 -6.412 -44.331 12.006 1.00 40.52 ATOM 820 HH21 ARG 49 -7.292 -44.806 12.033 1.00 51.12 ATOM 821 HH22 ARG 49 -6.284 -43.485 12.520 1.00 4.42 ATOM 822 C ARG 49 -8.064 -47.507 7.539 1.00 11.12 ATOM 823 O ARG 49 -8.544 -46.693 8.328 1.00 61.44 ATOM 824 N GLY 50 -8.141 -47.348 6.216 1.00 14.51 ATOM 825 HN GLY 50 -7.679 -47.983 5.628 1.00 37.05 ATOM 826 CA GLY 50 -8.922 -46.252 5.635 1.00 24.33 ATOM 827 HA1 GLY 50 -9.617 -45.889 6.380 1.00 37.05 ATOM 828 HA2 GLY 50 -9.491 -46.645 4.805 1.00 52.32 ATOM 829 C GLY 50 -8.090 -45.070 5.128 1.00 71.22 ATOM 830 O GLY 50 -8.616 -43.968 4.966 1.00 61.40 ATOM 831 N THR 51 -6.800 -45.284 4.872 1.00 20.31 ATOM 832 HN THR 51 -6.415 -46.166 5.062 1.00 37.05 ATOM 833 CA THR 51 -5.933 -44.226 4.313 1.00 73.41 ATOM 834 HA THR 51 -6.567 -43.555 3.746 1.00 72.30 ATOM 835 CB THR 51 -5.239 -43.386 5.426 1.00 32.22 ATOM 836 HB THR 51 -5.996 -42.783 5.910 1.00 22.40 ATOM 837 OG1 THR 51 -4.250 -42.505 4.858 1.00 31.15 ATOM 838 HG1 THR 51 -3.367 -42.840 5.067 1.00 14.45 ATOM 839 CG2 THR 51 -4.590 -44.273 6.487 1.00 65.44 ATOM 840 HG21 THR 51 -3.828 -44.887 6.028 1.00 53.34 ATOM 841 HG22 THR 51 -5.340 -44.909 6.935 1.00 70.34 ATOM 842 HG23 THR 51 -4.141 -43.654 7.251 1.00 40.24 ATOM 843 C THR 51 -4.873 -44.799 3.354 1.00 5.23 ATOM 844 O THR 51 -3.747 -45.088 3.752 1.00 73.33 ATOM 845 N PRO 52 -5.234 -44.997 2.071 1.00 61.35 ATOM 846 CA PRO 52 -4.318 -45.548 1.060 1.00 2.00 ATOM 847 HA PRO 52 -3.699 -46.335 1.469 1.00 32.42 ATOM 848 CB PRO 52 -5.291 -46.139 0.040 1.00 64.54 ATOM 849 HB1 PRO 52 -5.568 -47.140 0.340 1.00 37.05 ATOM 850 HB2 PRO 52 -4.828 -46.166 -0.937 1.00 25.42 ATOM 851 CG PRO 52 -6.464 -45.216 0.075 1.00 21.42 ATOM 852 HG1 PRO 52 -7.362 -45.753 -0.198 1.00 37.05 ATOM 853 HG2 PRO 52 -6.302 -44.390 -0.605 1.00 4.22 ATOM 854 CD PRO 52 -6.567 -44.713 1.500 1.00 3.30 ATOM 855 HD1 PRO 52 -7.337 -45.251 2.036 1.00 37.05 ATOM 856 HD2 PRO 52 -6.772 -43.652 1.514 1.00 50.33 ATOM 857 C PRO 52 -3.423 -44.483 0.399 1.00 3.31 ATOM 858 O PRO 52 -3.419 -43.315 0.799 1.00 61.33 ATOM 859 N VAL 53 -2.666 -44.894 -0.619 1.00 62.13 ATOM 860 HN VAL 53 -2.679 -45.845 -0.874 1.00 37.05 ATOM 861 CA VAL 53 -1.809 -43.970 -1.367 1.00 11.41 ATOM 862 HA VAL 53 -1.632 -43.102 -0.743 1.00 41.53 ATOM 863 CB VAL 53 -0.436 -44.611 -1.700 1.00 11.21 ATOM 864 HB VAL 53 -0.607 -45.458 -2.354 1.00 43.01 ATOM 865 CG1 VAL 53 0.468 -43.619 -2.438 1.00 14.13 ATOM 866 HG11 VAL 53 1.414 -44.091 -2.667 1.00 12.23 ATOM 867 HG12 VAL 53 0.642 -42.753 -1.815 1.00 20.13 ATOM 868 HG13 VAL 53 -0.010 -43.309 -3.356 1.00 73.13 ATOM 869 CG2 VAL 53 0.239 -45.123 -0.428 1.00 52.43 ATOM 870 HG21 VAL 53 0.373 -44.306 0.267 1.00 63.24 ATOM 871 HG22 VAL 53 1.203 -45.546 -0.674 1.00 11.43 ATOM 872 HG23 VAL 53 -0.379 -45.884 0.028 1.00 2.12 ATOM 873 C VAL 53 -2.491 -43.509 -2.667 1.00 33.44 ATOM 874 O VAL 53 -2.533 -44.243 -3.658 1.00 2.20 ATOM 875 N ASN 54 -3.049 -42.303 -2.645 1.00 54.43 ATOM 876 HN ASN 54 -3.037 -41.791 -1.809 1.00 37.05 ATOM 877 CA ASN 54 -3.697 -41.720 -3.829 1.00 23.04 ATOM 878 HA ASN 54 -4.047 -42.533 -4.452 1.00 74.31 ATOM 879 CB ASN 54 -4.900 -40.869 -3.403 1.00 14.35 ATOM 880 HB1 ASN 54 -5.612 -41.497 -2.886 1.00 37.05 ATOM 881 HB2 ASN 54 -5.370 -40.454 -4.283 1.00 43.10 ATOM 882 CG ASN 54 -4.511 -39.726 -2.480 1.00 44.24 ATOM 883 OD1 ASN 54 -3.557 -39.823 -1.713 1.00 10.11 ATOM 884 ND2 ASN 54 -5.237 -38.632 -2.556 1.00 54.11 ATOM 885 HD21 ASN 54 -5.977 -38.612 -3.195 1.00 35.53 ATOM 886 HD22 ASN 54 -5.008 -37.885 -1.966 1.00 1.40 ATOM 887 C ASN 54 -2.709 -40.866 -4.640 1.00 70.10 ATOM 888 O ASN 54 -2.804 -40.772 -5.864 1.00 64.34 ATOM 889 N ARG 55 -1.769 -40.240 -3.936 1.00 71.21 ATOM 890 HN ARG 55 -1.768 -40.337 -2.963 1.00 37.05 ATOM 891 CA ARG 55 -0.735 -39.410 -4.566 1.00 11.24 ATOM 892 HA ARG 55 -0.572 -39.785 -5.567 1.00 44.22 ATOM 893 CB ARG 55 -1.180 -37.943 -4.645 1.00 64.41 ATOM 894 HB1 ARG 55 -2.135 -37.894 -5.150 1.00 37.05 ATOM 895 HB2 ARG 55 -0.452 -37.390 -5.222 1.00 31.34 ATOM 896 CG ARG 55 -1.325 -37.267 -3.282 1.00 5.33 ATOM 897 HG1 ARG 55 -0.496 -37.564 -2.655 1.00 37.05 ATOM 898 HG2 ARG 55 -2.252 -37.591 -2.827 1.00 3.31 ATOM 899 CD ARG 55 -1.337 -35.746 -3.401 1.00 61.52 ATOM 900 HD1 ARG 55 -1.429 -35.322 -2.412 1.00 37.05 ATOM 901 HD2 ARG 55 -2.186 -35.451 -4.000 1.00 1.42 ATOM 902 NE ARG 55 -0.113 -35.240 -4.029 1.00 40.35 ATOM 903 HE ARG 55 0.254 -35.753 -4.780 1.00 34.25 ATOM 904 CZ ARG 55 0.513 -34.151 -3.673 1.00 71.32 ATOM 905 NH1 ARG 55 0.085 -33.427 -2.686 1.00 64.12 ATOM 906 HH11 ARG 55 -0.735 -33.700 -2.187 1.00 15.03 ATOM 907 HH12 ARG 55 0.573 -32.599 -2.428 1.00 12.23 ATOM 908 NH2 ARG 55 1.577 -33.794 -4.312 1.00 60.35 ATOM 909 HH21 ARG 55 1.911 -34.357 -5.074 1.00 12.21 ATOM 910 HH22 ARG 55 2.055 -32.957 -4.064 1.00 32.00 ATOM 911 C ARG 55 0.586 -39.497 -3.788 1.00 64.03 ATOM 912 O ARG 55 0.632 -40.039 -2.683 1.00 11.04 ATOM 913 N ILE 56 1.655 -38.965 -4.374 1.00 53.13 ATOM 914 HN ILE 56 1.565 -38.573 -5.269 1.00 37.05 ATOM 915 CA ILE 56 2.963 -38.928 -3.715 1.00 74.42 ATOM 916 HA ILE 56 2.885 -39.466 -2.780 1.00 14.44 ATOM 917 CB ILE 56 4.043 -39.624 -4.584 1.00 61.51 ATOM 918 HB ILE 56 4.077 -39.124 -5.540 1.00 71.23 ATOM 919 CG1 ILE 56 3.668 -41.100 -4.806 1.00 64.32 ATOM 920 HG11 ILE 56 2.706 -41.150 -5.297 1.00 37.05 ATOM 921 HG12 ILE 56 3.603 -41.598 -3.850 1.00 45.34 ATOM 922 CG2 ILE 56 5.427 -39.505 -3.940 1.00 10.21 ATOM 923 HG21 ILE 56 5.675 -38.460 -3.808 1.00 63.02 ATOM 924 HG22 ILE 56 6.165 -39.969 -4.578 1.00 14.24 ATOM 925 HG23 ILE 56 5.424 -39.997 -2.978 1.00 21.34 ATOM 926 CD1 ILE 56 4.660 -41.865 -5.653 1.00 13.15 ATOM 927 HD11 ILE 56 4.309 -42.876 -5.793 1.00 50.54 ATOM 928 HD12 ILE 56 5.622 -41.884 -5.158 1.00 44.32 ATOM 929 HD13 ILE 56 4.760 -41.384 -6.615 1.00 1.24 ATOM 930 C ILE 56 3.388 -37.478 -3.424 1.00 21.44 ATOM 931 O ILE 56 3.406 -36.636 -4.323 1.00 14.53 ATOM 932 N PRO 57 3.726 -37.160 -2.159 1.00 30.42 ATOM 933 CA PRO 57 4.138 -35.799 -1.775 1.00 64.54 ATOM 934 HA PRO 57 3.363 -35.079 -2.005 1.00 75.44 ATOM 935 CB PRO 57 4.309 -35.891 -0.250 1.00 52.21 ATOM 936 HB1 PRO 57 3.416 -35.527 0.238 1.00 37.05 ATOM 937 HB2 PRO 57 5.158 -35.298 0.062 1.00 13.34 ATOM 938 CG PRO 57 4.525 -37.343 0.028 1.00 15.34 ATOM 939 HG1 PRO 57 4.169 -37.585 1.020 1.00 37.05 ATOM 940 HG2 PRO 57 5.576 -37.583 -0.062 1.00 12.24 ATOM 941 CD PRO 57 3.728 -38.085 -1.010 1.00 30.52 ATOM 942 HD1 PRO 57 2.721 -38.263 -0.659 1.00 37.05 ATOM 943 HD2 PRO 57 4.212 -39.016 -1.265 1.00 10.35 ATOM 944 C PRO 57 5.450 -35.352 -2.443 1.00 31.30 ATOM 945 O PRO 57 6.542 -35.744 -2.023 1.00 61.12 ATOM 946 N ILE 58 5.339 -34.553 -3.502 1.00 61.03 ATOM 947 HN ILE 58 4.449 -34.359 -3.864 1.00 37.05 ATOM 948 CA ILE 58 6.517 -33.979 -4.153 1.00 62.31 ATOM 949 HA ILE 58 7.294 -34.733 -4.157 1.00 33.01 ATOM 950 CB ILE 58 6.211 -33.591 -5.624 1.00 43.51 ATOM 951 HB ILE 58 5.425 -32.848 -5.617 1.00 10.12 ATOM 952 CG1 ILE 58 5.725 -34.819 -6.415 1.00 4.34 ATOM 953 HG11 ILE 58 5.520 -34.523 -7.435 1.00 37.05 ATOM 954 HG12 ILE 58 4.815 -35.192 -5.968 1.00 73.04 ATOM 955 CG2 ILE 58 7.437 -32.972 -6.294 1.00 14.10 ATOM 956 HG21 ILE 58 8.260 -33.672 -6.262 1.00 63.32 ATOM 957 HG22 ILE 58 7.715 -32.066 -5.775 1.00 61.41 ATOM 958 HG23 ILE 58 7.205 -32.737 -7.324 1.00 61.31 ATOM 959 CD1 ILE 58 6.719 -35.965 -6.454 1.00 13.31 ATOM 960 HD11 ILE 58 7.638 -35.631 -6.913 1.00 55.41 ATOM 961 HD12 ILE 58 6.307 -36.781 -7.029 1.00 74.32 ATOM 962 HD13 ILE 58 6.922 -36.302 -5.447 1.00 71.22 ATOM 963 C ILE 58 7.023 -32.753 -3.372 1.00 12.40 ATOM 964 O ILE 58 6.431 -31.671 -3.421 1.00 41.15 ATOM 965 N MET 59 8.127 -32.941 -2.656 1.00 61.33 ATOM 966 HN MET 59 8.586 -33.806 -2.722 1.00 37.05 ATOM 967 CA MET 59 8.688 -31.914 -1.769 1.00 52.53 ATOM 968 HA MET 59 7.903 -31.215 -1.517 1.00 50.41 ATOM 969 CB MET 59 9.190 -32.592 -0.485 1.00 21.24 ATOM 970 HB1 MET 59 10.072 -33.171 -0.720 1.00 37.05 ATOM 971 HB2 MET 59 8.422 -33.262 -0.126 1.00 62.34 ATOM 972 CG MET 59 9.539 -31.630 0.639 1.00 21.11 ATOM 973 HG1 MET 59 10.269 -30.922 0.275 1.00 37.05 ATOM 974 HG2 MET 59 9.964 -32.193 1.459 1.00 30.44 ATOM 975 SD MET 59 8.103 -30.722 1.244 1.00 3.41 ATOM 976 CE MET 59 8.773 -29.979 2.730 1.00 43.30 ATOM 977 HE1 MET 59 9.590 -29.322 2.469 1.00 52.01 ATOM 978 HE2 MET 59 9.132 -30.758 3.387 1.00 34.12 ATOM 979 HE3 MET 59 8.001 -29.414 3.230 1.00 23.41 ATOM 980 C MET 59 9.843 -31.161 -2.454 1.00 33.43 ATOM 981 O MET 59 10.839 -31.773 -2.842 1.00 11.35 ATOM 982 N ALA 60 9.708 -29.839 -2.598 1.00 3.24 ATOM 983 HN ALA 60 8.910 -29.400 -2.230 1.00 37.05 ATOM 984 CA ALA 60 10.719 -29.016 -3.285 1.00 2.33 ATOM 985 HA ALA 60 10.355 -27.999 -3.308 1.00 2.22 ATOM 986 CB ALA 60 12.034 -29.034 -2.508 1.00 42.02 ATOM 987 HB1 ALA 60 12.760 -28.409 -3.009 1.00 35.10 ATOM 988 HB2 ALA 60 12.407 -30.046 -2.450 1.00 22.40 ATOM 989 HB3 ALA 60 11.864 -28.657 -1.511 1.00 74.13 ATOM 990 C ALA 60 10.941 -29.490 -4.728 1.00 31.33 ATOM 991 O ALA 60 12.062 -29.447 -5.245 1.00 42.23 ATOM 992 N LYS 61 9.857 -29.914 -5.379 1.00 25.21 ATOM 993 HN LYS 61 8.984 -29.840 -4.934 1.00 37.05 ATOM 994 CA LYS 61 9.914 -30.471 -6.741 1.00 12.11 ATOM 995 HA LYS 61 8.900 -30.710 -7.031 1.00 51.34 ATOM 996 CB LYS 61 10.473 -29.430 -7.728 1.00 40.31 ATOM 997 HB1 LYS 61 10.445 -29.846 -8.726 1.00 37.05 ATOM 998 HB2 LYS 61 11.501 -29.217 -7.467 1.00 54.05 ATOM 999 CG LYS 61 9.695 -28.112 -7.733 1.00 51.35 ATOM 1000 HG1 LYS 61 10.130 -27.453 -8.473 1.00 37.05 ATOM 1001 HG2 LYS 61 9.771 -27.658 -6.756 1.00 21.32 ATOM 1002 CD LYS 61 8.217 -28.325 -8.066 1.00 75.04 ATOM 1003 HD1 LYS 61 7.810 -29.066 -7.391 1.00 37.05 ATOM 1004 HD2 LYS 61 8.135 -28.682 -9.082 1.00 13.23 ATOM 1005 CE LYS 61 7.408 -27.039 -7.931 1.00 2.20 ATOM 1006 HE1 LYS 61 7.804 -26.302 -8.615 1.00 37.05 ATOM 1007 HE2 LYS 61 7.496 -26.673 -6.917 1.00 63.13 ATOM 1008 NZ LYS 61 5.971 -27.262 -8.239 1.00 3.01 ATOM 1009 HZ1 LYS 61 5.622 -28.098 -7.726 1.00 50.45 ATOM 1010 HZ2 LYS 61 5.839 -27.417 -9.259 1.00 23.45 ATOM 1011 HZ3 LYS 61 5.407 -26.439 -7.948 1.00 54.14 ATOM 1012 C LYS 61 10.739 -31.772 -6.779 1.00 61.13 ATOM 1013 O LYS 61 11.254 -32.172 -7.822 1.00 50.14 ATOM 1014 N GLN 62 10.825 -32.436 -5.629 1.00 30.54 ATOM 1015 HN GLN 62 10.391 -32.055 -4.837 1.00 37.05 ATOM 1016 CA GLN 62 11.546 -33.704 -5.483 1.00 20.21 ATOM 1017 HA GLN 62 11.768 -34.084 -6.471 1.00 43.53 ATOM 1018 CB GLN 62 12.868 -33.453 -4.730 1.00 62.01 ATOM 1019 HB1 GLN 62 12.672 -32.773 -3.911 1.00 37.05 ATOM 1020 HB2 GLN 62 13.568 -32.985 -5.407 1.00 64.31 ATOM 1021 CG GLN 62 13.530 -34.707 -4.156 1.00 20.50 ATOM 1022 HG1 GLN 62 12.856 -35.157 -3.441 1.00 37.05 ATOM 1023 HG2 GLN 62 14.439 -34.415 -3.650 1.00 54.03 ATOM 1024 CD GLN 62 13.884 -35.745 -5.207 1.00 5.51 ATOM 1025 OE1 GLN 62 14.186 -35.422 -6.353 1.00 34.33 ATOM 1026 NE2 GLN 62 13.840 -37.006 -4.828 1.00 25.22 ATOM 1027 HE21 GLN 62 13.582 -37.204 -3.900 1.00 43.35 ATOM 1028 HE22 GLN 62 14.068 -37.693 -5.484 1.00 33.25 ATOM 1029 C GLN 62 10.686 -34.736 -4.733 1.00 30.24 ATOM 1030 O GLN 62 10.060 -34.414 -3.725 1.00 73.13 ATOM 1031 N VAL 63 10.647 -35.972 -5.232 1.00 73.20 ATOM 1032 HN VAL 63 11.117 -36.164 -6.069 1.00 37.05 ATOM 1033 CA VAL 63 9.905 -37.048 -4.561 1.00 23.44 ATOM 1034 HA VAL 63 8.868 -36.741 -4.509 1.00 63.11 ATOM 1035 CB VAL 63 9.970 -38.378 -5.365 1.00 53.51 ATOM 1036 HB VAL 63 9.571 -38.188 -6.353 1.00 40.41 ATOM 1037 CG1 VAL 63 11.409 -38.862 -5.533 1.00 55.24 ATOM 1038 HG11 VAL 63 11.860 -39.006 -4.562 1.00 71.14 ATOM 1039 HG12 VAL 63 11.974 -38.125 -6.087 1.00 42.42 ATOM 1040 HG13 VAL 63 11.414 -39.797 -6.073 1.00 11.44 ATOM 1041 CG2 VAL 63 9.103 -39.454 -4.710 1.00 41.41 ATOM 1042 HG21 VAL 63 9.471 -39.662 -3.715 1.00 31.44 ATOM 1043 HG22 VAL 63 9.140 -40.357 -5.302 1.00 11.43 ATOM 1044 HG23 VAL 63 8.081 -39.108 -4.650 1.00 22.14 ATOM 1045 C VAL 63 10.423 -37.268 -3.124 1.00 15.22 ATOM 1046 O VAL 63 11.626 -37.414 -2.900 1.00 33.44 ATOM 1047 N LEU 64 9.506 -37.270 -2.157 1.00 31.24 ATOM 1048 HN LEU 64 8.560 -37.211 -2.401 1.00 37.05 ATOM 1049 CA LEU 64 9.869 -37.350 -0.734 1.00 63.34 ATOM 1050 HA LEU 64 10.773 -36.774 -0.593 1.00 73.11 ATOM 1051 CB LEU 64 8.754 -36.727 0.119 1.00 74.23 ATOM 1052 HB1 LEU 64 7.862 -37.326 -0.001 1.00 37.05 ATOM 1053 HB2 LEU 64 8.551 -35.736 -0.265 1.00 73.51 ATOM 1054 CG LEU 64 9.054 -36.609 1.623 1.00 54.32 ATOM 1055 HG LEU 64 9.289 -37.589 2.014 1.00 14.51 ATOM 1056 CD1 LEU 64 10.265 -35.710 1.864 1.00 15.13 ATOM 1057 HD11 LEU 64 10.464 -35.652 2.924 1.00 54.22 ATOM 1058 HD12 LEU 64 10.065 -34.719 1.482 1.00 74.21 ATOM 1059 HD13 LEU 64 11.127 -36.123 1.360 1.00 12.12 ATOM 1060 CD2 LEU 64 7.832 -36.082 2.372 1.00 55.34 ATOM 1061 HD21 LEU 64 7.595 -35.085 2.025 1.00 51.24 ATOM 1062 HD22 LEU 64 8.041 -36.054 3.432 1.00 72.41 ATOM 1063 HD23 LEU 64 6.989 -36.735 2.191 1.00 42.42 ATOM 1064 C LEU 64 10.132 -38.799 -0.280 1.00 22.41 ATOM 1065 O LEU 64 9.263 -39.669 -0.392 1.00 5.15 ATOM 1066 N ASP 65 11.336 -39.048 0.238 1.00 62.42 ATOM 1067 HN ASP 65 12.005 -38.331 0.248 1.00 37.05 ATOM 1068 CA ASP 65 11.703 -40.365 0.768 1.00 21.44 ATOM 1069 HA ASP 65 11.486 -41.102 0.006 1.00 20.13 ATOM 1070 CB ASP 65 13.204 -40.405 1.083 1.00 71.31 ATOM 1071 HB1 ASP 65 13.451 -41.372 1.499 1.00 37.05 ATOM 1072 HB2 ASP 65 13.432 -39.639 1.810 1.00 1.12 ATOM 1073 CG ASP 65 14.067 -40.171 -0.142 1.00 42.20 ATOM 1074 OD1 ASP 65 14.743 -41.122 -0.586 1.00 33.52 ATOM 1075 OD2 ASP 65 14.072 -39.040 -0.664 1.00 25.54 ATOM 1076 C ASP 65 10.895 -40.709 2.034 1.00 65.41 ATOM 1077 O ASP 65 11.311 -40.397 3.151 1.00 0.32 ATOM 1078 N LEU 66 9.736 -41.342 1.848 1.00 32.35 ATOM 1079 HN LEU 66 9.439 -41.526 0.930 1.00 37.05 ATOM 1080 CA LEU 66 8.872 -41.734 2.972 1.00 13.44 ATOM 1081 HA LEU 66 8.531 -40.828 3.451 1.00 65.24 ATOM 1082 CB LEU 66 7.648 -42.506 2.455 1.00 44.42 ATOM 1083 HB1 LEU 66 7.050 -42.802 3.306 1.00 37.05 ATOM 1084 HB2 LEU 66 7.999 -43.400 1.958 1.00 70.14 ATOM 1085 CG LEU 66 6.743 -41.733 1.478 1.00 71.44 ATOM 1086 HG LEU 66 7.325 -41.451 0.611 1.00 61.25 ATOM 1087 CD1 LEU 66 5.589 -42.611 0.995 1.00 64.21 ATOM 1088 HD11 LEU 66 4.999 -42.932 1.842 1.00 43.34 ATOM 1089 HD12 LEU 66 5.984 -43.477 0.483 1.00 15.42 ATOM 1090 HD13 LEU 66 4.966 -42.047 0.316 1.00 61.15 ATOM 1091 CD2 LEU 66 6.211 -40.452 2.124 1.00 50.32 ATOM 1092 HD21 LEU 66 5.637 -40.702 3.005 1.00 4.05 ATOM 1093 HD22 LEU 66 5.580 -39.927 1.421 1.00 23.33 ATOM 1094 HD23 LEU 66 7.040 -39.818 2.402 1.00 64.33 ATOM 1095 C LEU 66 9.628 -42.584 4.012 1.00 23.14 ATOM 1096 O LEU 66 9.492 -42.373 5.217 1.00 73.44 ATOM 1097 N PHE 67 10.432 -43.539 3.539 1.00 55.23 ATOM 1098 HN PHE 67 10.498 -43.663 2.572 1.00 37.05 ATOM 1099 CA PHE 67 11.214 -44.410 4.430 1.00 22.25 ATOM 1100 HA PHE 67 10.518 -44.947 5.060 1.00 35.43 ATOM 1101 CB PHE 67 12.020 -45.426 3.605 1.00 4.52 ATOM 1102 HB1 PHE 67 12.715 -44.892 2.969 1.00 37.05 ATOM 1103 HB2 PHE 67 11.341 -45.992 2.983 1.00 13.52 ATOM 1104 CG PHE 67 12.812 -46.409 4.440 1.00 63.23 ATOM 1105 CD1 PHE 67 12.291 -47.657 4.747 1.00 53.21 ATOM 1106 HD1 PHE 67 11.308 -47.923 4.387 1.00 72.34 ATOM 1107 CD2 PHE 67 14.079 -46.086 4.912 1.00 21.23 ATOM 1108 HD2 PHE 67 14.500 -45.118 4.680 1.00 55.22 ATOM 1109 CE1 PHE 67 13.012 -48.559 5.507 1.00 22.24 ATOM 1110 HE1 PHE 67 12.592 -49.528 5.739 1.00 5.05 ATOM 1111 CE2 PHE 67 14.803 -46.985 5.673 1.00 41.11 ATOM 1112 HE2 PHE 67 15.785 -46.717 6.035 1.00 64.42 ATOM 1113 CZ PHE 67 14.269 -48.222 5.970 1.00 45.22 ATOM 1114 HZ PHE 67 14.833 -48.927 6.564 1.00 31.45 ATOM 1115 C PHE 67 12.163 -43.593 5.323 1.00 41.31 ATOM 1116 O PHE 67 12.192 -43.769 6.542 1.00 11.14 ATOM 1117 N MET 68 12.933 -42.697 4.707 1.00 25.41 ATOM 1118 HN MET 68 12.849 -42.584 3.739 1.00 37.05 ATOM 1119 CA MET 68 13.893 -41.869 5.445 1.00 41.21 ATOM 1120 HA MET 68 14.515 -42.532 6.031 1.00 43.32 ATOM 1121 CB MET 68 14.784 -41.085 4.474 1.00 31.34 ATOM 1122 HB1 MET 68 15.487 -40.492 5.044 1.00 37.05 ATOM 1123 HB2 MET 68 14.163 -40.423 3.888 1.00 71.12 ATOM 1124 CG MET 68 15.571 -41.972 3.520 1.00 1.04 ATOM 1125 HG1 MET 68 16.202 -41.346 2.903 1.00 37.05 ATOM 1126 HG2 MET 68 14.873 -42.504 2.892 1.00 62.31 ATOM 1127 SD MET 68 16.611 -43.175 4.379 1.00 5.31 ATOM 1128 CE MET 68 17.691 -42.092 5.315 1.00 52.11 ATOM 1129 HE1 MET 68 18.399 -42.686 5.875 1.00 54.24 ATOM 1130 HE2 MET 68 17.102 -41.498 5.998 1.00 63.01 ATOM 1131 HE3 MET 68 18.222 -41.440 4.638 1.00 13.32 ATOM 1132 C MET 68 13.173 -40.906 6.396 1.00 4.22 ATOM 1133 O MET 68 13.613 -40.687 7.524 1.00 74.25 ATOM 1134 N LEU 69 12.059 -40.341 5.930 1.00 42.53 ATOM 1135 HN LEU 69 11.787 -40.518 5.005 1.00 37.05 ATOM 1136 CA LEU 69 11.233 -39.455 6.756 1.00 54.32 ATOM 1137 HA LEU 69 11.836 -38.596 7.026 1.00 40.30 ATOM 1138 CB LEU 69 10.010 -38.979 5.957 1.00 23.22 ATOM 1139 HB1 LEU 69 9.361 -39.829 5.794 1.00 37.05 ATOM 1140 HB2 LEU 69 10.352 -38.623 4.994 1.00 33.04 ATOM 1141 CG LEU 69 9.184 -37.865 6.619 1.00 25.41 ATOM 1142 HG LEU 69 8.897 -38.180 7.613 1.00 75.05 ATOM 1143 CD1 LEU 69 10.018 -36.595 6.755 1.00 43.43 ATOM 1144 HD11 LEU 69 9.434 -35.826 7.240 1.00 33.23 ATOM 1145 HD12 LEU 69 10.319 -36.255 5.773 1.00 40.53 ATOM 1146 HD13 LEU 69 10.898 -36.805 7.346 1.00 1.33 ATOM 1147 CD2 LEU 69 7.909 -37.597 5.824 1.00 55.24 ATOM 1148 HD21 LEU 69 7.316 -38.499 5.780 1.00 53.04 ATOM 1149 HD22 LEU 69 8.164 -37.285 4.822 1.00 70.14 ATOM 1150 HD23 LEU 69 7.338 -36.817 6.309 1.00 30.13 ATOM 1151 C LEU 69 10.781 -40.173 8.039 1.00 15.31 ATOM 1152 O LEU 69 10.847 -39.615 9.136 1.00 60.30 ATOM 1153 N TYR 70 10.335 -41.422 7.886 1.00 71.35 ATOM 1154 HN TYR 70 10.259 -41.788 6.979 1.00 37.05 ATOM 1155 CA TYR 70 9.943 -42.261 9.024 1.00 71.24 ATOM 1156 HA TYR 70 9.116 -41.779 9.522 1.00 3.03 ATOM 1157 CB TYR 70 9.482 -43.639 8.522 1.00 4.24 ATOM 1158 HB1 TYR 70 10.288 -44.098 7.965 1.00 37.05 ATOM 1159 HB2 TYR 70 8.633 -43.509 7.866 1.00 34.14 ATOM 1160 CG TYR 70 9.071 -44.596 9.629 1.00 1.25 ATOM 1161 CD1 TYR 70 7.812 -44.511 10.219 1.00 63.03 ATOM 1162 HD1 TYR 70 7.122 -43.752 9.879 1.00 40.15 ATOM 1163 CD2 TYR 70 9.941 -45.583 10.084 1.00 74.43 ATOM 1164 HD2 TYR 70 10.921 -45.665 9.637 1.00 31.32 ATOM 1165 CE1 TYR 70 7.436 -45.379 11.228 1.00 33.21 ATOM 1166 HE1 TYR 70 6.455 -45.297 11.673 1.00 33.25 ATOM 1167 CE2 TYR 70 9.570 -46.453 11.090 1.00 22.03 ATOM 1168 HE2 TYR 70 10.261 -47.212 11.427 1.00 11.41 ATOM 1169 CZ TYR 70 8.319 -46.347 11.659 1.00 24.41 ATOM 1170 OH TYR 70 7.956 -47.209 12.670 1.00 31.11 ATOM 1171 HH TYR 70 8.676 -47.264 13.308 1.00 74.40 ATOM 1172 C TYR 70 11.098 -42.419 10.026 1.00 1.21 ATOM 1173 O TYR 70 10.922 -42.239 11.232 1.00 51.14 ATOM 1174 N VAL 71 12.283 -42.745 9.518 1.00 54.23 ATOM 1175 HN VAL 71 12.372 -42.849 8.544 1.00 37.05 ATOM 1176 CA VAL 71 13.458 -42.958 10.370 1.00 34.33 ATOM 1177 HA VAL 71 13.215 -43.748 11.070 1.00 12.05 ATOM 1178 CB VAL 71 14.682 -43.415 9.539 1.00 11.01 ATOM 1179 HB VAL 71 14.929 -42.626 8.839 1.00 33.45 ATOM 1180 CG1 VAL 71 15.896 -43.649 10.437 1.00 20.02 ATOM 1181 HG11 VAL 71 16.728 -43.990 9.837 1.00 2.11 ATOM 1182 HG12 VAL 71 15.658 -44.396 11.180 1.00 23.23 ATOM 1183 HG13 VAL 71 16.165 -42.725 10.930 1.00 61.42 ATOM 1184 CG2 VAL 71 14.353 -44.674 8.739 1.00 72.53 ATOM 1185 HG21 VAL 71 15.214 -44.967 8.155 1.00 34.40 ATOM 1186 HG22 VAL 71 13.522 -44.475 8.078 1.00 0.40 ATOM 1187 HG23 VAL 71 14.089 -45.474 9.416 1.00 50.23 ATOM 1188 C VAL 71 13.829 -41.694 11.170 1.00 35.24 ATOM 1189 O VAL 71 13.892 -41.728 12.400 1.00 52.14 ATOM 1190 N LEU 72 14.053 -40.583 10.464 1.00 10.53 ATOM 1191 HN LEU 72 13.920 -40.605 9.491 1.00 37.05 ATOM 1192 CA LEU 72 14.486 -39.324 11.097 1.00 5.35 ATOM 1193 HA LEU 72 15.443 -39.515 11.563 1.00 63.32 ATOM 1194 CB LEU 72 14.674 -38.223 10.034 1.00 75.11 ATOM 1195 HB1 LEU 72 14.561 -37.261 10.515 1.00 37.05 ATOM 1196 HB2 LEU 72 13.886 -38.326 9.299 1.00 41.22 ATOM 1197 CG LEU 72 16.027 -38.229 9.294 1.00 12.11 ATOM 1198 HG LEU 72 16.043 -37.407 8.592 1.00 4.44 ATOM 1199 CD1 LEU 72 17.176 -38.016 10.276 1.00 21.41 ATOM 1200 HD11 LEU 72 17.063 -37.056 10.759 1.00 1.43 ATOM 1201 HD12 LEU 72 18.115 -38.041 9.743 1.00 35.21 ATOM 1202 HD13 LEU 72 17.164 -38.799 11.023 1.00 45.20 ATOM 1203 CD2 LEU 72 16.225 -39.522 8.505 1.00 52.32 ATOM 1204 HD21 LEU 72 15.441 -39.616 7.767 1.00 23.41 ATOM 1205 HD22 LEU 72 16.187 -40.367 9.178 1.00 24.13 ATOM 1206 HD23 LEU 72 17.184 -39.501 8.009 1.00 64.23 ATOM 1207 C LEU 72 13.512 -38.844 12.190 1.00 5.50 ATOM 1208 O LEU 72 13.933 -38.309 13.215 1.00 13.30 ATOM 1209 N VAL 73 12.216 -39.031 11.971 1.00 75.10 ATOM 1210 HN VAL 73 11.928 -39.455 11.133 1.00 37.05 ATOM 1211 CA VAL 73 11.204 -38.607 12.947 1.00 5.02 ATOM 1212 HA VAL 73 11.493 -37.631 13.317 1.00 50.51 ATOM 1213 CB VAL 73 9.812 -38.472 12.279 1.00 3.24 ATOM 1214 HB VAL 73 9.556 -39.424 11.833 1.00 54.34 ATOM 1215 CG1 VAL 73 8.734 -38.126 13.305 1.00 61.21 ATOM 1216 HG11 VAL 73 8.970 -37.182 13.773 1.00 53.34 ATOM 1217 HG12 VAL 73 8.689 -38.899 14.057 1.00 33.44 ATOM 1218 HG13 VAL 73 7.776 -38.051 12.810 1.00 72.30 ATOM 1219 CG2 VAL 73 9.849 -37.424 11.167 1.00 54.52 ATOM 1220 HG21 VAL 73 10.584 -37.708 10.427 1.00 3.54 ATOM 1221 HG22 VAL 73 10.114 -36.463 11.585 1.00 5.14 ATOM 1222 HG23 VAL 73 8.877 -37.357 10.700 1.00 23.34 ATOM 1223 C VAL 73 11.113 -39.573 14.144 1.00 63.25 ATOM 1224 O VAL 73 11.205 -39.152 15.303 1.00 45.24 ATOM 1225 N THR 74 10.952 -40.867 13.867 1.00 34.13 ATOM 1226 HN THR 74 10.934 -41.158 12.928 1.00 37.05 ATOM 1227 CA THR 74 10.791 -41.868 14.935 1.00 62.51 ATOM 1228 HA THR 74 9.942 -41.566 15.533 1.00 64.51 ATOM 1229 CB THR 74 10.497 -43.282 14.380 1.00 62.43 ATOM 1230 HB THR 74 10.384 -43.961 15.215 1.00 54.01 ATOM 1231 OG1 THR 74 11.585 -43.738 13.560 1.00 74.24 ATOM 1232 HG1 THR 74 11.489 -43.375 12.670 1.00 3.14 ATOM 1233 CG2 THR 74 9.205 -43.293 13.573 1.00 20.44 ATOM 1234 HG21 THR 74 9.014 -44.292 13.208 1.00 3.42 ATOM 1235 HG22 THR 74 9.297 -42.616 12.735 1.00 61.40 ATOM 1236 HG23 THR 74 8.384 -42.976 14.200 1.00 60.40 ATOM 1237 C THR 74 12.019 -41.947 15.851 1.00 43.12 ATOM 1238 O THR 74 11.880 -42.139 17.062 1.00 71.44 ATOM 1239 N GLU 75 13.221 -41.789 15.285 1.00 21.21 ATOM 1240 HN GLU 75 13.278 -41.645 14.314 1.00 37.05 ATOM 1241 CA GLU 75 14.457 -41.841 16.082 1.00 30.22 ATOM 1242 HA GLU 75 14.481 -42.803 16.577 1.00 42.33 ATOM 1243 CB GLU 75 15.710 -41.713 15.195 1.00 4.35 ATOM 1244 HB1 GLU 75 15.663 -42.463 14.417 1.00 37.05 ATOM 1245 HB2 GLU 75 16.584 -41.901 15.803 1.00 51.24 ATOM 1246 CG GLU 75 15.877 -40.349 14.533 1.00 2.04 ATOM 1247 HG1 GLU 75 15.686 -39.580 15.269 1.00 37.05 ATOM 1248 HG2 GLU 75 15.155 -40.261 13.733 1.00 73.34 ATOM 1249 CD GLU 75 17.270 -40.139 13.956 1.00 2.11 ATOM 1250 OE1 GLU 75 18.123 -39.543 14.653 1.00 20.14 ATOM 1251 OE2 GLU 75 17.527 -40.570 12.814 1.00 13.41 ATOM 1252 C GLU 75 14.475 -40.743 17.159 1.00 43.32 ATOM 1253 O GLU 75 15.059 -40.916 18.227 1.00 70.33 ATOM 1254 N LYS 76 13.826 -39.613 16.871 1.00 51.15 ATOM 1255 HN LYS 76 13.398 -39.521 15.992 1.00 37.05 ATOM 1256 CA LYS 76 13.745 -38.503 17.828 1.00 54.12 ATOM 1257 HA LYS 76 14.724 -38.373 18.269 1.00 42.40 ATOM 1258 CB LYS 76 13.343 -37.204 17.110 1.00 74.12 ATOM 1259 HB1 LYS 76 13.407 -36.386 17.812 1.00 37.05 ATOM 1260 HB2 LYS 76 12.318 -37.296 16.778 1.00 34.31 ATOM 1261 CG LYS 76 14.206 -36.863 15.895 1.00 23.55 ATOM 1262 HG1 LYS 76 13.929 -35.882 15.536 1.00 37.05 ATOM 1263 HG2 LYS 76 14.019 -37.593 15.121 1.00 44.51 ATOM 1264 CD LYS 76 15.699 -36.869 16.222 1.00 74.34 ATOM 1265 HD1 LYS 76 15.980 -37.858 16.556 1.00 37.05 ATOM 1266 HD2 LYS 76 15.888 -36.156 17.013 1.00 64.12 ATOM 1267 CE LYS 76 16.553 -36.496 15.011 1.00 73.30 ATOM 1268 HE1 LYS 76 16.432 -35.438 14.806 1.00 37.05 ATOM 1269 HE2 LYS 76 16.220 -37.068 14.157 1.00 52.21 ATOM 1270 NZ LYS 76 17.992 -36.778 15.249 1.00 63.24 ATOM 1271 HZ1 LYS 76 18.321 -36.274 16.098 1.00 54.43 ATOM 1272 HZ2 LYS 76 18.564 -36.469 14.436 1.00 42.53 ATOM 1273 HZ3 LYS 76 18.137 -37.799 15.390 1.00 50.20 ATOM 1274 C LYS 76 12.738 -38.816 18.948 1.00 40.04 ATOM 1275 O LYS 76 12.819 -38.264 20.049 1.00 75.00 ATOM 1276 N GLY 77 11.796 -39.712 18.656 1.00 41.33 ATOM 1277 HN GLY 77 11.799 -40.134 17.771 1.00 37.05 ATOM 1278 CA GLY 77 10.776 -40.088 19.631 1.00 4.40 ATOM 1279 HA1 GLY 77 10.701 -39.311 20.379 1.00 37.05 ATOM 1280 HA2 GLY 77 11.082 -41.004 20.114 1.00 32.10 ATOM 1281 C GLY 77 9.399 -40.304 19.006 1.00 21.33 ATOM 1282 O GLY 77 8.547 -40.972 19.588 1.00 2.31 ATOM 1283 N GLY 78 9.178 -39.731 17.824 1.00 40.55 ATOM 1284 HN GLY 78 9.896 -39.217 17.401 1.00 37.05 ATOM 1285 CA GLY 78 7.885 -39.852 17.151 1.00 32.23 ATOM 1286 HA1 GLY 78 7.162 -40.268 17.841 1.00 37.05 ATOM 1287 HA2 GLY 78 7.993 -40.526 16.314 1.00 4.53 ATOM 1288 C GLY 78 7.361 -38.515 16.640 1.00 72.22 ATOM 1289 O GLY 78 7.934 -37.464 16.939 1.00 22.52 ATOM 1290 N LEU 79 6.268 -38.549 15.878 1.00 31.21 ATOM 1291 HN LEU 79 5.849 -39.421 15.687 1.00 37.05 ATOM 1292 CA LEU 79 5.682 -37.334 15.293 1.00 1.40 ATOM 1293 HA LEU 79 6.392 -36.944 14.577 1.00 44.52 ATOM 1294 CB LEU 79 4.380 -37.678 14.553 1.00 20.01 ATOM 1295 HB1 LEU 79 3.691 -38.111 15.265 1.00 37.05 ATOM 1296 HB2 LEU 79 4.606 -38.422 13.802 1.00 43.14 ATOM 1297 CG LEU 79 3.676 -36.491 13.866 1.00 43.12 ATOM 1298 HG LEU 79 3.412 -35.758 14.616 1.00 41.03 ATOM 1299 CD1 LEU 79 4.604 -35.814 12.859 1.00 21.35 ATOM 1300 HD11 LEU 79 5.494 -35.467 13.364 1.00 4.00 ATOM 1301 HD12 LEU 79 4.098 -34.970 12.411 1.00 1.22 ATOM 1302 HD13 LEU 79 4.880 -36.517 12.086 1.00 11.03 ATOM 1303 CD2 LEU 79 2.386 -36.947 13.184 1.00 12.55 ATOM 1304 HD21 LEU 79 2.614 -37.699 12.441 1.00 63.14 ATOM 1305 HD22 LEU 79 1.911 -36.102 12.706 1.00 4.33 ATOM 1306 HD23 LEU 79 1.715 -37.363 13.922 1.00 44.40 ATOM 1307 C LEU 79 5.415 -36.251 16.354 1.00 22.22 ATOM 1308 O LEU 79 5.876 -35.115 16.224 1.00 42.11 ATOM 1309 N VAL 80 4.676 -36.608 17.404 1.00 51.14 ATOM 1310 HN VAL 80 4.338 -37.528 17.455 1.00 37.05 ATOM 1311 CA VAL 80 4.353 -35.662 18.484 1.00 73.11 ATOM 1312 HA VAL 80 3.781 -34.851 18.048 1.00 53.24 ATOM 1313 CB VAL 80 3.487 -36.332 19.580 1.00 10.11 ATOM 1314 HB VAL 80 4.074 -37.118 20.041 1.00 21.11 ATOM 1315 CG1 VAL 80 3.102 -35.327 20.668 1.00 51.51 ATOM 1316 HG11 VAL 80 2.531 -34.519 20.232 1.00 12.34 ATOM 1317 HG12 VAL 80 3.997 -34.928 21.124 1.00 71.44 ATOM 1318 HG13 VAL 80 2.505 -35.821 21.421 1.00 1.23 ATOM 1319 CG2 VAL 80 2.246 -36.970 18.961 1.00 11.33 ATOM 1320 HG21 VAL 80 1.656 -36.210 18.466 1.00 44.41 ATOM 1321 HG22 VAL 80 1.654 -37.436 19.735 1.00 74.42 ATOM 1322 HG23 VAL 80 2.546 -37.717 18.241 1.00 64.33 ATOM 1323 C VAL 80 5.625 -35.083 19.126 1.00 14.12 ATOM 1324 O VAL 80 5.738 -33.871 19.325 1.00 61.43 ATOM 1325 N GLU 81 6.580 -35.959 19.434 1.00 43.03 ATOM 1326 HN GLU 81 6.419 -36.910 19.272 1.00 37.05 ATOM 1327 CA GLU 81 7.867 -35.543 20.005 1.00 54.03 ATOM 1328 HA GLU 81 7.677 -35.122 20.983 1.00 72.14 ATOM 1329 CB GLU 81 8.790 -36.765 20.154 1.00 42.14 ATOM 1330 HB1 GLU 81 8.972 -37.181 19.173 1.00 37.05 ATOM 1331 HB2 GLU 81 8.283 -37.507 20.756 1.00 32.01 ATOM 1332 CG GLU 81 10.144 -36.472 20.808 1.00 21.25 ATOM 1333 HG1 GLU 81 10.620 -35.665 20.267 1.00 37.05 ATOM 1334 HG2 GLU 81 10.758 -37.358 20.736 1.00 43.44 ATOM 1335 CD GLU 81 10.044 -36.080 22.279 1.00 45.22 ATOM 1336 OE1 GLU 81 9.112 -36.546 22.967 1.00 30.12 ATOM 1337 OE2 GLU 81 10.914 -35.326 22.762 1.00 61.01 ATOM 1338 C GLU 81 8.536 -34.478 19.121 1.00 3.12 ATOM 1339 O GLU 81 8.880 -33.396 19.590 1.00 50.11 ATOM 1340 N VAL 82 8.685 -34.790 17.833 1.00 14.40 ATOM 1341 HN VAL 82 8.372 -35.667 17.520 1.00 37.05 ATOM 1342 CA VAL 82 9.300 -33.869 16.867 1.00 13.12 ATOM 1343 HA VAL 82 10.313 -33.679 17.199 1.00 43.34 ATOM 1344 CB VAL 82 9.370 -34.512 15.456 1.00 21.13 ATOM 1345 HB VAL 82 8.371 -34.818 15.173 1.00 11.03 ATOM 1346 CG1 VAL 82 9.878 -33.520 14.408 1.00 2.54 ATOM 1347 HG11 VAL 82 9.909 -34.000 13.439 1.00 73.35 ATOM 1348 HG12 VAL 82 10.871 -33.187 14.673 1.00 54.12 ATOM 1349 HG13 VAL 82 9.215 -32.668 14.363 1.00 12.35 ATOM 1350 CG2 VAL 82 10.253 -35.755 15.492 1.00 51.20 ATOM 1351 HG21 VAL 82 9.822 -36.485 16.163 1.00 53.21 ATOM 1352 HG22 VAL 82 11.241 -35.488 15.840 1.00 24.21 ATOM 1353 HG23 VAL 82 10.326 -36.178 14.501 1.00 43.31 ATOM 1354 C VAL 82 8.551 -32.527 16.793 1.00 3.33 ATOM 1355 O VAL 82 9.171 -31.463 16.693 1.00 15.10 ATOM 1356 N ILE 83 7.220 -32.580 16.851 1.00 24.11 ATOM 1357 HN ILE 83 6.780 -33.459 16.876 1.00 37.05 ATOM 1358 CA ILE 83 6.395 -31.365 16.874 1.00 31.01 ATOM 1359 HA ILE 83 6.596 -30.812 15.964 1.00 4.53 ATOM 1360 CB ILE 83 4.881 -31.709 16.912 1.00 72.50 ATOM 1361 HB ILE 83 4.711 -32.363 17.756 1.00 0.05 ATOM 1362 CG1 ILE 83 4.462 -32.443 15.626 1.00 23.43 ATOM 1363 HG11 ILE 83 5.083 -33.319 15.501 1.00 37.05 ATOM 1364 HG12 ILE 83 4.604 -31.788 14.779 1.00 34.21 ATOM 1365 CG2 ILE 83 4.036 -30.449 17.121 1.00 50.02 ATOM 1366 HG21 ILE 83 4.225 -29.747 16.321 1.00 45.44 ATOM 1367 HG22 ILE 83 4.293 -29.992 18.066 1.00 13.50 ATOM 1368 HG23 ILE 83 2.989 -30.714 17.125 1.00 71.21 ATOM 1369 CD1 ILE 83 3.016 -32.899 15.618 1.00 31.41 ATOM 1370 HD11 ILE 83 2.365 -32.039 15.690 1.00 64.31 ATOM 1371 HD12 ILE 83 2.838 -33.556 16.458 1.00 14.23 ATOM 1372 HD13 ILE 83 2.812 -33.428 14.699 1.00 42.24 ATOM 1373 C ILE 83 6.745 -30.477 18.082 1.00 42.55 ATOM 1374 O ILE 83 6.975 -29.274 17.940 1.00 3.41 ATOM 1375 N ASN 84 6.793 -31.086 19.264 1.00 64.13 ATOM 1376 HN ASN 84 6.602 -32.049 19.310 1.00 37.05 ATOM 1377 CA ASN 84 7.110 -30.363 20.502 1.00 74.32 ATOM 1378 HA ASN 84 6.473 -29.490 20.544 1.00 22.41 ATOM 1379 CB ASN 84 6.806 -31.254 21.713 1.00 31.34 ATOM 1380 HB1 ASN 84 7.061 -30.721 22.618 1.00 37.05 ATOM 1381 HB2 ASN 84 7.402 -32.155 21.651 1.00 52.23 ATOM 1382 CG ASN 84 5.339 -31.649 21.787 1.00 2.14 ATOM 1383 OD1 ASN 84 4.460 -30.907 21.361 1.00 51.42 ATOM 1384 ND2 ASN 84 5.061 -32.822 22.321 1.00 21.01 ATOM 1385 HD21 ASN 84 5.804 -33.374 22.641 1.00 33.03 ATOM 1386 HD22 ASN 84 4.123 -33.088 22.376 1.00 31.32 ATOM 1387 C ASN 84 8.580 -29.898 20.535 1.00 62.03 ATOM 1388 O ASN 84 8.898 -28.849 21.103 1.00 4.41 ATOM 1389 N LYS 85 9.469 -30.682 19.924 1.00 34.15 ATOM 1390 HN LYS 85 9.156 -31.512 19.506 1.00 37.05 ATOM 1391 CA LYS 85 10.901 -30.351 19.869 1.00 13.51 ATOM 1392 HA LYS 85 11.187 -29.939 20.827 1.00 52.44 ATOM 1393 CB LYS 85 11.720 -31.624 19.609 1.00 74.32 ATOM 1394 HB1 LYS 85 12.765 -31.356 19.531 1.00 37.05 ATOM 1395 HB2 LYS 85 11.399 -32.044 18.668 1.00 33.13 ATOM 1396 CG LYS 85 11.582 -32.707 20.679 1.00 2.14 ATOM 1397 HG1 LYS 85 11.616 -33.675 20.195 1.00 37.05 ATOM 1398 HG2 LYS 85 10.625 -32.593 21.167 1.00 5.34 ATOM 1399 CD LYS 85 12.682 -32.652 21.741 1.00 33.45 ATOM 1400 HD1 LYS 85 13.639 -32.778 21.254 1.00 37.05 ATOM 1401 HD2 LYS 85 12.530 -33.463 22.438 1.00 0.32 ATOM 1402 CE LYS 85 12.696 -31.342 22.520 1.00 30.44 ATOM 1403 HE1 LYS 85 11.685 -31.088 22.798 1.00 37.05 ATOM 1404 HE2 LYS 85 13.100 -30.565 21.887 1.00 62.54 ATOM 1405 NZ LYS 85 13.531 -31.444 23.747 1.00 41.13 ATOM 1406 HZ1 LYS 85 13.475 -30.563 24.295 1.00 51.21 ATOM 1407 HZ2 LYS 85 14.526 -31.615 23.491 1.00 61.45 ATOM 1408 HZ3 LYS 85 13.199 -32.232 24.340 1.00 53.34 ATOM 1409 C LYS 85 11.208 -29.318 18.770 1.00 31.32 ATOM 1410 O LYS 85 12.275 -28.701 18.772 1.00 13.11 ATOM 1411 N LYS 86 10.274 -29.148 17.829 1.00 32.34 ATOM 1412 HN LYS 86 9.464 -29.702 17.864 1.00 37.05 ATOM 1413 CA LYS 86 10.410 -28.161 16.741 1.00 73.43 ATOM 1414 HA LYS 86 9.502 -28.193 16.158 1.00 61.10 ATOM 1415 CB LYS 86 10.571 -26.744 17.323 1.00 73.25 ATOM 1416 HB1 LYS 86 10.650 -26.041 16.506 1.00 37.05 ATOM 1417 HB2 LYS 86 11.484 -26.709 17.901 1.00 44.54 ATOM 1418 CG LYS 86 9.422 -26.301 18.226 1.00 62.13 ATOM 1419 HG1 LYS 86 9.700 -25.376 18.715 1.00 37.05 ATOM 1420 HG2 LYS 86 9.252 -27.062 18.974 1.00 1.12 ATOM 1421 CD LYS 86 8.130 -26.079 17.445 1.00 53.32 ATOM 1422 HD1 LYS 86 7.846 -27.006 16.966 1.00 37.05 ATOM 1423 HD2 LYS 86 8.298 -25.321 16.694 1.00 15.04 ATOM 1424 CE LYS 86 6.996 -25.627 18.355 1.00 32.14 ATOM 1425 HE1 LYS 86 6.731 -26.441 19.014 1.00 37.05 ATOM 1426 HE2 LYS 86 6.142 -25.368 17.744 1.00 42.53 ATOM 1427 NZ LYS 86 7.378 -24.443 19.174 1.00 41.22 ATOM 1428 HZ1 LYS 86 8.073 -24.716 19.901 1.00 52.31 ATOM 1429 HZ2 LYS 86 6.541 -24.045 19.646 1.00 34.04 ATOM 1430 HZ3 LYS 86 7.798 -23.708 18.572 1.00 22.12 ATOM 1431 C LYS 86 11.601 -28.461 15.807 1.00 70.43 ATOM 1432 O LYS 86 11.903 -27.674 14.908 1.00 73.51 ATOM 1433 N LEU 87 12.251 -29.612 15.983 1.00 14.43 ATOM 1434 HN LEU 87 11.879 -30.282 16.592 1.00 37.05 ATOM 1435 CA LEU 87 13.511 -29.896 15.277 1.00 74.22 ATOM 1436 HA LEU 87 14.058 -28.962 15.225 1.00 14.03 ATOM 1437 CB LEU 87 14.368 -30.905 16.078 1.00 1.43 ATOM 1438 HB1 LEU 87 14.249 -30.678 17.129 1.00 37.05 ATOM 1439 HB2 LEU 87 15.403 -30.742 15.822 1.00 72.04 ATOM 1440 CG LEU 87 14.056 -32.402 15.879 1.00 51.02 ATOM 1441 HG LEU 87 14.099 -32.633 14.824 1.00 50.31 ATOM 1442 CD1 LEU 87 15.102 -33.260 16.583 1.00 24.13 ATOM 1443 HD11 LEU 87 16.076 -33.058 16.162 1.00 73.21 ATOM 1444 HD12 LEU 87 14.863 -34.305 16.447 1.00 31.23 ATOM 1445 HD13 LEU 87 15.112 -33.029 17.639 1.00 1.12 ATOM 1446 CD2 LEU 87 12.662 -32.749 16.381 1.00 34.30 ATOM 1447 HD21 LEU 87 11.935 -32.105 15.907 1.00 75.31 ATOM 1448 HD22 LEU 87 12.620 -32.615 17.450 1.00 15.20 ATOM 1449 HD23 LEU 87 12.439 -33.778 16.140 1.00 10.41 ATOM 1450 C LEU 87 13.282 -30.381 13.829 1.00 60.35 ATOM 1451 O LEU 87 14.148 -31.032 13.236 1.00 4.01 ATOM 1452 N TRP 88 12.131 -30.023 13.245 1.00 12.44 ATOM 1453 HN TRP 88 11.458 -29.547 13.773 1.00 37.05 ATOM 1454 CA TRP 88 11.848 -30.327 11.831 1.00 3.12 ATOM 1455 HA TRP 88 11.789 -31.403 11.736 1.00 52.10 ATOM 1456 CB TRP 88 10.509 -29.718 11.387 1.00 11.32 ATOM 1457 HB1 TRP 88 10.470 -29.707 10.302 1.00 37.05 ATOM 1458 HB2 TRP 88 10.446 -28.702 11.750 1.00 61.32 ATOM 1459 CG TRP 88 9.301 -30.465 11.885 1.00 43.35 ATOM 1460 CD1 TRP 88 8.437 -30.084 12.876 1.00 53.21 ATOM 1461 HD1 TRP 88 8.523 -29.167 13.440 1.00 44.43 ATOM 1462 CD2 TRP 88 8.826 -31.729 11.404 1.00 0.20 ATOM 1463 NE1 TRP 88 7.452 -31.032 13.031 1.00 3.52 ATOM 1464 HE1 TRP 88 6.716 -30.991 13.674 1.00 4.41 ATOM 1465 CE2 TRP 88 7.675 -32.053 12.144 1.00 3.41 ATOM 1466 CE3 TRP 88 9.268 -32.620 10.421 1.00 65.43 ATOM 1467 HE3 TRP 88 10.148 -32.409 9.831 1.00 51.31 ATOM 1468 CZ2 TRP 88 6.956 -33.225 11.928 1.00 25.34 ATOM 1469 HZ2 TRP 88 6.071 -33.466 12.500 1.00 15.13 ATOM 1470 CZ3 TRP 88 8.553 -33.784 10.207 1.00 72.04 ATOM 1471 HZ3 TRP 88 8.881 -34.484 9.452 1.00 74.20 ATOM 1472 CH2 TRP 88 7.411 -34.079 10.960 1.00 61.32 ATOM 1473 HH2 TRP 88 6.885 -35.001 10.761 1.00 3.35 ATOM 1474 C TRP 88 12.973 -29.824 10.912 1.00 3.04 ATOM 1475 O TRP 88 13.158 -30.333 9.810 1.00 2.02 ATOM 1476 N ARG 89 13.713 -28.816 11.375 1.00 33.03 ATOM 1477 HN ARG 89 13.450 -28.386 12.215 1.00 37.05 ATOM 1478 CA ARG 89 14.903 -28.331 10.667 1.00 52.23 ATOM 1479 HA ARG 89 14.580 -27.901 9.730 1.00 23.41 ATOM 1480 CB ARG 89 15.602 -27.245 11.504 1.00 30.22 ATOM 1481 HB1 ARG 89 16.577 -27.049 11.080 1.00 37.05 ATOM 1482 HB2 ARG 89 15.729 -27.613 12.513 1.00 25.03 ATOM 1483 CG ARG 89 14.837 -25.922 11.573 1.00 24.01 ATOM 1484 HG1 ARG 89 15.275 -25.302 12.345 1.00 37.05 ATOM 1485 HG2 ARG 89 13.803 -26.124 11.817 1.00 52.41 ATOM 1486 CD ARG 89 14.894 -25.171 10.244 1.00 71.11 ATOM 1487 HD1 ARG 89 14.550 -25.831 9.459 1.00 37.05 ATOM 1488 HD2 ARG 89 15.918 -24.890 10.047 1.00 34.20 ATOM 1489 NE ARG 89 14.064 -23.966 10.240 1.00 3.12 ATOM 1490 HE ARG 89 13.195 -24.020 9.792 1.00 32.45 ATOM 1491 CZ ARG 89 14.416 -22.819 10.760 1.00 61.43 ATOM 1492 NH1 ARG 89 15.546 -22.687 11.379 1.00 13.51 ATOM 1493 HH11 ARG 89 16.157 -23.465 11.471 1.00 10.21 ATOM 1494 HH12 ARG 89 15.808 -21.795 11.749 1.00 20.32 ATOM 1495 NH2 ARG 89 13.628 -21.801 10.656 1.00 53.22 ATOM 1496 HH21 ARG 89 12.759 -21.889 10.173 1.00 15.44 ATOM 1497 HH22 ARG 89 13.882 -20.929 11.074 1.00 0.12 ATOM 1498 C ARG 89 15.879 -29.484 10.372 1.00 14.02 ATOM 1499 O ARG 89 16.336 -29.654 9.242 1.00 22.35 ATOM 1500 N GLU 90 16.171 -30.288 11.394 1.00 15.43 ATOM 1501 HN GLU 90 15.767 -30.111 12.270 1.00 37.05 ATOM 1502 CA GLU 90 17.076 -31.433 11.248 1.00 10.42 ATOM 1503 HA GLU 90 17.975 -31.082 10.760 1.00 25.44 ATOM 1504 CB GLU 90 17.450 -32.000 12.625 1.00 3.31 ATOM 1505 HB1 GLU 90 18.130 -32.830 12.485 1.00 37.05 ATOM 1506 HB2 GLU 90 16.552 -32.366 13.102 1.00 52.11 ATOM 1507 CG GLU 90 18.111 -30.994 13.563 1.00 25.31 ATOM 1508 HG1 GLU 90 18.370 -31.501 14.483 1.00 37.05 ATOM 1509 HG2 GLU 90 17.404 -30.205 13.779 1.00 22.22 ATOM 1510 CD GLU 90 19.373 -30.374 12.976 1.00 70.41 ATOM 1511 OE1 GLU 90 20.393 -31.086 12.855 1.00 45.33 ATOM 1512 OE2 GLU 90 19.354 -29.168 12.633 1.00 62.12 ATOM 1513 C GLU 90 16.448 -32.541 10.388 1.00 53.14 ATOM 1514 O GLU 90 17.140 -33.218 9.629 1.00 43.34 ATOM 1515 N ILE 91 15.134 -32.724 10.518 1.00 74.21 ATOM 1516 HN ILE 91 14.638 -32.158 11.146 1.00 37.05 ATOM 1517 CA ILE 91 14.410 -33.747 9.751 1.00 71.32 ATOM 1518 HA ILE 91 14.891 -34.702 9.930 1.00 33.14 ATOM 1519 CB ILE 91 12.930 -33.851 10.207 1.00 10.34 ATOM 1520 HB ILE 91 12.432 -32.930 9.935 1.00 3.41 ATOM 1521 CG1 ILE 91 12.839 -34.030 11.735 1.00 33.11 ATOM 1522 HG11 ILE 91 11.800 -34.127 12.019 1.00 37.05 ATOM 1523 HG12 ILE 91 13.255 -33.157 12.218 1.00 45.14 ATOM 1524 CG2 ILE 91 12.219 -34.996 9.484 1.00 1.22 ATOM 1525 HG21 ILE 91 11.189 -35.044 9.808 1.00 52.31 ATOM 1526 HG22 ILE 91 12.711 -35.931 9.712 1.00 23.41 ATOM 1527 HG23 ILE 91 12.251 -34.825 8.417 1.00 61.24 ATOM 1528 CD1 ILE 91 13.579 -35.242 12.265 1.00 45.32 ATOM 1529 HD11 ILE 91 13.467 -35.290 13.338 1.00 13.32 ATOM 1530 HD12 ILE 91 14.627 -35.163 12.016 1.00 14.15 ATOM 1531 HD13 ILE 91 13.170 -36.138 11.820 1.00 65.34 ATOM 1532 C ILE 91 14.454 -33.440 8.245 1.00 42.23 ATOM 1533 O ILE 91 14.874 -34.272 7.440 1.00 13.22 ATOM 1534 N THR 92 14.031 -32.230 7.882 1.00 51.44 ATOM 1535 HN THR 92 13.685 -31.626 8.570 1.00 37.05 ATOM 1536 CA THR 92 14.055 -31.773 6.484 1.00 62.12 ATOM 1537 HA THR 92 13.422 -32.428 5.902 1.00 60.10 ATOM 1538 CB THR 92 13.520 -30.321 6.361 1.00 21.42 ATOM 1539 HB THR 92 14.287 -29.642 6.698 1.00 35.11 ATOM 1540 OG1 THR 92 12.354 -30.149 7.180 1.00 45.24 ATOM 1541 HG1 THR 92 12.613 -29.808 8.041 1.00 52.34 ATOM 1542 CG2 THR 92 13.168 -29.974 4.921 1.00 2.11 ATOM 1543 HG21 THR 92 12.413 -30.658 4.559 1.00 73.44 ATOM 1544 HG22 THR 92 14.051 -30.052 4.303 1.00 2.02 ATOM 1545 HG23 THR 92 12.786 -28.964 4.877 1.00 43.30 ATOM 1546 C THR 92 15.485 -31.816 5.927 1.00 15.14 ATOM 1547 O THR 92 15.730 -32.310 4.824 1.00 33.11 ATOM 1548 N LYS 93 16.426 -31.297 6.713 1.00 62.21 ATOM 1549 HN LYS 93 16.160 -30.896 7.568 1.00 37.05 ATOM 1550 CA LYS 93 17.845 -31.300 6.345 1.00 75.32 ATOM 1551 HA LYS 93 17.948 -30.781 5.402 1.00 72.42 ATOM 1552 CB LYS 93 18.653 -30.559 7.418 1.00 23.53 ATOM 1553 HB1 LYS 93 18.579 -31.108 8.347 1.00 37.05 ATOM 1554 HB2 LYS 93 18.221 -29.579 7.561 1.00 23.13 ATOM 1555 CG LYS 93 20.130 -30.382 7.088 1.00 71.25 ATOM 1556 HG1 LYS 93 20.566 -31.354 6.902 1.00 37.05 ATOM 1557 HG2 LYS 93 20.626 -29.922 7.933 1.00 72.44 ATOM 1558 CD LYS 93 20.332 -29.504 5.858 1.00 12.50 ATOM 1559 HD1 LYS 93 19.845 -28.553 6.020 1.00 37.05 ATOM 1560 HD2 LYS 93 19.891 -29.993 5.001 1.00 65.43 ATOM 1561 CE LYS 93 21.809 -29.260 5.577 1.00 53.31 ATOM 1562 HE1 LYS 93 22.293 -30.209 5.393 1.00 37.05 ATOM 1563 HE2 LYS 93 22.256 -28.791 6.442 1.00 35.43 ATOM 1564 NZ LYS 93 22.011 -28.379 4.398 1.00 35.34 ATOM 1565 HZ1 LYS 93 21.591 -28.816 3.551 1.00 21.40 ATOM 1566 HZ2 LYS 93 23.027 -28.233 4.232 1.00 54.41 ATOM 1567 HZ3 LYS 93 21.560 -27.456 4.560 1.00 73.11 ATOM 1568 C LYS 93 18.377 -32.733 6.184 1.00 54.23 ATOM 1569 O LYS 93 19.190 -33.008 5.298 1.00 24.43 ATOM 1570 N GLY 94 17.906 -33.638 7.040 1.00 5.52 ATOM 1571 HN GLY 94 17.262 -33.355 7.725 1.00 37.05 ATOM 1572 CA GLY 94 18.331 -35.035 6.990 1.00 4.42 ATOM 1573 HA1 GLY 94 17.880 -35.562 7.819 1.00 37.05 ATOM 1574 HA2 GLY 94 19.404 -35.075 7.100 1.00 3.04 ATOM 1575 C GLY 94 17.946 -35.743 5.694 1.00 44.40 ATOM 1576 O GLY 94 18.503 -36.790 5.365 1.00 23.41 ATOM 1577 N LEU 95 16.990 -35.178 4.959 1.00 1.34 ATOM 1578 HN LEU 95 16.549 -34.366 5.294 1.00 37.05 ATOM 1579 CA LEU 95 16.561 -35.740 3.674 1.00 44.10 ATOM 1580 HA LEU 95 16.842 -36.784 3.651 1.00 72.43 ATOM 1581 CB LEU 95 15.036 -35.632 3.550 1.00 75.04 ATOM 1582 HB1 LEU 95 14.730 -36.144 2.649 1.00 37.05 ATOM 1583 HB2 LEU 95 14.779 -34.585 3.454 1.00 3.21 ATOM 1584 CG LEU 95 14.242 -36.215 4.730 1.00 43.21 ATOM 1585 HG LEU 95 14.491 -35.662 5.625 1.00 23.21 ATOM 1586 CD1 LEU 95 12.744 -36.065 4.498 1.00 52.42 ATOM 1587 HD11 LEU 95 12.458 -36.605 3.606 1.00 33.31 ATOM 1588 HD12 LEU 95 12.500 -35.020 4.378 1.00 72.43 ATOM 1589 HD13 LEU 95 12.206 -36.463 5.347 1.00 64.14 ATOM 1590 CD2 LEU 95 14.612 -37.677 4.965 1.00 73.11 ATOM 1591 HD21 LEU 95 14.036 -38.066 5.793 1.00 15.44 ATOM 1592 HD22 LEU 95 15.664 -37.751 5.196 1.00 62.20 ATOM 1593 HD23 LEU 95 14.398 -38.254 4.076 1.00 5.41 ATOM 1594 C LEU 95 17.241 -35.016 2.497 1.00 54.21 ATOM 1595 O LEU 95 16.817 -35.145 1.347 1.00 42.22 ATOM 1596 N ASN 96 18.298 -34.254 2.803 1.00 52.23 ATOM 1597 HN ASN 96 18.590 -34.211 3.738 1.00 37.05 ATOM 1598 CA ASN 96 19.046 -33.485 1.793 1.00 72.10 ATOM 1599 HA ASN 96 19.858 -32.988 2.304 1.00 42.41 ATOM 1600 CB ASN 96 19.631 -34.438 0.732 1.00 15.55 ATOM 1601 HB1 ASN 96 18.826 -34.807 0.110 1.00 37.05 ATOM 1602 HB2 ASN 96 20.098 -35.273 1.231 1.00 62.20 ATOM 1603 CG ASN 96 20.673 -33.784 -0.168 1.00 74.22 ATOM 1604 OD1 ASN 96 20.795 -34.121 -1.343 1.00 4.22 ATOM 1605 ND2 ASN 96 21.451 -32.866 0.375 1.00 34.44 ATOM 1606 HD21 ASN 96 21.328 -32.651 1.319 1.00 3.41 ATOM 1607 HD22 ASN 96 22.122 -32.436 -0.195 1.00 14.13 ATOM 1608 C ASN 96 18.151 -32.407 1.142 1.00 23.54 ATOM 1609 O ASN 96 18.407 -31.946 0.027 1.00 42.51 ATOM 1610 N LEU 97 17.114 -31.993 1.870 1.00 54.42 ATOM 1611 HN LEU 97 16.977 -32.381 2.759 1.00 37.05 ATOM 1612 CA LEU 97 16.169 -30.980 1.386 1.00 54.44 ATOM 1613 HA LEU 97 16.115 -31.051 0.309 1.00 14.24 ATOM 1614 CB LEU 97 14.774 -31.235 1.977 1.00 13.01 ATOM 1615 HB1 LEU 97 14.098 -30.487 1.586 1.00 37.05 ATOM 1616 HB2 LEU 97 14.837 -31.107 3.049 1.00 30.21 ATOM 1617 CG LEU 97 14.168 -32.618 1.700 1.00 51.30 ATOM 1618 HG LEU 97 14.827 -33.373 2.103 1.00 20.41 ATOM 1619 CD1 LEU 97 12.817 -32.759 2.400 1.00 63.24 ATOM 1620 HD11 LEU 97 12.431 -33.755 2.243 1.00 43.15 ATOM 1621 HD12 LEU 97 12.122 -32.036 1.997 1.00 62.54 ATOM 1622 HD13 LEU 97 12.941 -32.584 3.462 1.00 34.01 ATOM 1623 CD2 LEU 97 14.032 -32.864 0.198 1.00 33.05 ATOM 1624 HD21 LEU 97 15.008 -32.821 -0.265 1.00 15.54 ATOM 1625 HD22 LEU 97 13.393 -32.110 -0.238 1.00 20.24 ATOM 1626 HD23 LEU 97 13.601 -33.841 0.031 1.00 35.51 ATOM 1627 C LEU 97 16.613 -29.561 1.778 1.00 74.51 ATOM 1628 O LEU 97 17.312 -29.373 2.779 1.00 11.41 ATOM 1629 N PRO 98 16.217 -28.539 0.996 1.00 21.52 ATOM 1630 CA PRO 98 16.412 -27.136 1.385 1.00 51.55 ATOM 1631 HA PRO 98 17.442 -26.941 1.658 1.00 4.21 ATOM 1632 CB PRO 98 16.055 -26.357 0.109 1.00 32.23 ATOM 1633 HB1 PRO 98 16.956 -26.154 -0.456 1.00 37.05 ATOM 1634 HB2 PRO 98 15.574 -25.424 0.369 1.00 51.32 ATOM 1635 CG PRO 98 15.134 -27.259 -0.646 1.00 11.21 ATOM 1636 HG1 PRO 98 15.220 -27.068 -1.706 1.00 37.05 ATOM 1637 HG2 PRO 98 14.116 -27.102 -0.319 1.00 32.10 ATOM 1638 CD PRO 98 15.575 -28.665 -0.329 1.00 41.21 ATOM 1639 HD1 PRO 98 16.283 -29.014 -1.067 1.00 37.05 ATOM 1640 HD2 PRO 98 14.721 -29.327 -0.284 1.00 74.44 ATOM 1641 C PRO 98 15.491 -26.737 2.553 1.00 1.45 ATOM 1642 O PRO 98 14.274 -26.652 2.397 1.00 2.51 ATOM 1643 N THR 99 16.072 -26.489 3.725 1.00 42.10 ATOM 1644 HN THR 99 17.051 -26.511 3.785 1.00 37.05 ATOM 1645 CA THR 99 15.285 -26.196 4.940 1.00 14.14 ATOM 1646 HA THR 99 14.554 -26.986 5.051 1.00 44.51 ATOM 1647 CB THR 99 16.184 -26.206 6.204 1.00 25.34 ATOM 1648 HB THR 99 16.668 -27.172 6.269 1.00 63.44 ATOM 1649 OG1 THR 99 15.394 -26.012 7.386 1.00 70.12 ATOM 1650 HG1 THR 99 14.776 -25.286 7.250 1.00 1.45 ATOM 1651 CG2 THR 99 17.266 -25.130 6.128 1.00 72.50 ATOM 1652 HG21 THR 99 17.900 -25.315 5.273 1.00 72.11 ATOM 1653 HG22 THR 99 17.862 -25.154 7.029 1.00 72.42 ATOM 1654 HG23 THR 99 16.804 -24.158 6.029 1.00 10.33 ATOM 1655 C THR 99 14.531 -24.848 4.861 1.00 62.15 ATOM 1656 O THR 99 13.864 -24.441 5.816 1.00 15.31 ATOM 1657 N SER 100 14.624 -24.171 3.719 1.00 71.34 ATOM 1658 HN SER 100 15.147 -24.551 2.986 1.00 37.05 ATOM 1659 CA SER 100 13.975 -22.864 3.518 1.00 2.22 ATOM 1660 HA SER 100 13.868 -22.394 4.485 1.00 33.14 ATOM 1661 CB SER 100 14.865 -21.980 2.637 1.00 11.54 ATOM 1662 HB1 SER 100 15.782 -21.758 3.163 1.00 37.05 ATOM 1663 HB2 SER 100 14.348 -21.057 2.410 1.00 53.14 ATOM 1664 OG SER 100 15.185 -22.637 1.419 1.00 25.34 ATOM 1665 HG SER 100 15.147 -22.003 0.694 1.00 32.33 ATOM 1666 C SER 100 12.581 -22.989 2.876 1.00 33.41 ATOM 1667 O SER 100 11.916 -21.979 2.630 1.00 12.31 ATOM 1668 N ILE 101 12.141 -24.221 2.608 1.00 73.12 ATOM 1669 HN ILE 101 12.717 -24.985 2.822 1.00 37.05 ATOM 1670 CA ILE 101 10.824 -24.466 1.993 1.00 34.14 ATOM 1671 HA ILE 101 10.838 -24.029 1.004 1.00 52.33 ATOM 1672 CB ILE 101 10.549 -25.987 1.843 1.00 35.32 ATOM 1673 HB ILE 101 10.600 -26.435 2.823 1.00 11.12 ATOM 1674 CG1 ILE 101 11.610 -26.641 0.945 1.00 50.12 ATOM 1675 HG11 ILE 101 12.592 -26.363 1.301 1.00 37.05 ATOM 1676 HG12 ILE 101 11.488 -26.286 -0.068 1.00 53.33 ATOM 1677 CG2 ILE 101 9.144 -26.235 1.286 1.00 15.14 ATOM 1678 HG21 ILE 101 9.054 -25.772 0.314 1.00 4.22 ATOM 1679 HG22 ILE 101 8.411 -25.809 1.956 1.00 74.13 ATOM 1680 HG23 ILE 101 8.973 -27.298 1.195 1.00 14.14 ATOM 1681 CD1 ILE 101 11.539 -28.154 0.916 1.00 31.43 ATOM 1682 HD11 ILE 101 12.345 -28.540 0.310 1.00 30.32 ATOM 1683 HD12 ILE 101 10.593 -28.465 0.495 1.00 64.42 ATOM 1684 HD13 ILE 101 11.630 -28.539 1.921 1.00 1.01 ATOM 1685 C ILE 101 9.679 -23.822 2.800 1.00 5.41 ATOM 1686 O ILE 101 9.625 -23.928 4.028 1.00 55.11 ATOM 1687 N THR 102 8.763 -23.158 2.091 1.00 22.41 ATOM 1688 HN THR 102 8.865 -23.112 1.118 1.00 37.05 ATOM 1689 CA THR 102 7.615 -22.485 2.716 1.00 43.33 ATOM 1690 HA THR 102 7.996 -21.678 3.326 1.00 12.53 ATOM 1691 CB THR 102 6.669 -21.880 1.648 1.00 23.42 ATOM 1692 HB THR 102 6.224 -22.688 1.082 1.00 53.14 ATOM 1693 OG1 THR 102 7.411 -21.039 0.750 1.00 55.30 ATOM 1694 HG1 THR 102 7.535 -21.500 -0.091 1.00 72.11 ATOM 1695 CG2 THR 102 5.552 -21.064 2.296 1.00 5.51 ATOM 1696 HG21 THR 102 4.908 -20.661 1.529 1.00 71.22 ATOM 1697 HG22 THR 102 5.982 -20.253 2.866 1.00 63.34 ATOM 1698 HG23 THR 102 4.974 -21.699 2.953 1.00 12.23 ATOM 1699 C THR 102 6.804 -23.444 3.603 1.00 31.22 ATOM 1700 O THR 102 6.158 -24.363 3.102 1.00 33.12 ATOM 1701 N SER 103 6.862 -23.227 4.920 1.00 4.32 ATOM 1702 HN SER 103 7.424 -22.497 5.251 1.00 37.05 ATOM 1703 CA SER 103 6.111 -24.044 5.891 1.00 3.11 ATOM 1704 HA SER 103 6.348 -23.667 6.875 1.00 55.34 ATOM 1705 CB SER 103 4.594 -23.896 5.665 1.00 44.41 ATOM 1706 HB1 SER 103 4.064 -24.548 6.345 1.00 37.05 ATOM 1707 HB2 SER 103 4.352 -24.167 4.648 1.00 54.43 ATOM 1708 OG SER 103 4.170 -22.558 5.894 1.00 41.31 ATOM 1709 HG SER 103 3.708 -22.229 5.112 1.00 64.42 ATOM 1710 C SER 103 6.517 -25.529 5.837 1.00 64.52 ATOM 1711 O SER 103 5.709 -26.413 6.125 1.00 62.44 ATOM 1712 N ALA 104 7.790 -25.785 5.507 1.00 64.44 ATOM 1713 HN ALA 104 8.382 -25.028 5.302 1.00 37.05 ATOM 1714 CA ALA 104 8.335 -27.153 5.415 1.00 5.32 ATOM 1715 HA ALA 104 7.960 -27.597 4.503 1.00 65.13 ATOM 1716 CB ALA 104 9.856 -27.095 5.316 1.00 52.15 ATOM 1717 HB1 ALA 104 10.245 -28.082 5.111 1.00 61.01 ATOM 1718 HB2 ALA 104 10.265 -26.734 6.250 1.00 55.44 ATOM 1719 HB3 ALA 104 10.138 -26.424 4.521 1.00 61.13 ATOM 1720 C ALA 104 7.927 -28.040 6.602 1.00 63.51 ATOM 1721 O ALA 104 7.466 -29.170 6.419 1.00 2.22 ATOM 1722 N ALA 105 8.095 -27.512 7.815 1.00 45.34 ATOM 1723 HN ALA 105 8.461 -26.607 7.887 1.00 37.05 ATOM 1724 CA ALA 105 7.766 -28.245 9.043 1.00 24.33 ATOM 1725 HA ALA 105 8.421 -29.103 9.100 1.00 52.42 ATOM 1726 CB ALA 105 8.042 -27.365 10.257 1.00 40.33 ATOM 1727 HB1 ALA 105 7.871 -27.931 11.162 1.00 73.35 ATOM 1728 HB2 ALA 105 7.387 -26.508 10.239 1.00 20.13 ATOM 1729 HB3 ALA 105 9.070 -27.032 10.231 1.00 64.11 ATOM 1730 C ALA 105 6.307 -28.735 9.060 1.00 3.15 ATOM 1731 O ALA 105 6.005 -29.797 9.607 1.00 12.21 ATOM 1732 N PHE 106 5.405 -27.945 8.477 1.00 61.01 ATOM 1733 HN PHE 106 5.698 -27.098 8.082 1.00 37.05 ATOM 1734 CA PHE 106 3.991 -28.322 8.386 1.00 14.23 ATOM 1735 HA PHE 106 3.705 -28.756 9.334 1.00 4.44 ATOM 1736 CB PHE 106 3.121 -27.084 8.125 1.00 71.30 ATOM 1737 HB1 PHE 106 3.387 -26.658 7.167 1.00 37.05 ATOM 1738 HB2 PHE 106 3.305 -26.352 8.898 1.00 2.32 ATOM 1739 CG PHE 106 1.641 -27.380 8.109 1.00 64.53 ATOM 1740 CD1 PHE 106 0.940 -27.444 6.912 1.00 41.53 ATOM 1741 HD1 PHE 106 1.462 -27.273 5.981 1.00 53.40 ATOM 1742 CD2 PHE 106 0.955 -27.601 9.294 1.00 23.13 ATOM 1743 HD2 PHE 106 1.489 -27.556 10.233 1.00 51.30 ATOM 1744 CE1 PHE 106 -0.414 -27.721 6.900 1.00 21.32 ATOM 1745 HE1 PHE 106 -0.948 -27.767 5.961 1.00 35.31 ATOM 1746 CE2 PHE 106 -0.399 -27.878 9.288 1.00 55.33 ATOM 1747 HE2 PHE 106 -0.920 -28.047 10.218 1.00 42.35 ATOM 1748 CZ PHE 106 -1.085 -27.938 8.090 1.00 1.54 ATOM 1749 HZ PHE 106 -2.143 -28.155 8.083 1.00 12.11 ATOM 1750 C PHE 106 3.771 -29.369 7.284 1.00 60.55 ATOM 1751 O PHE 106 3.138 -30.399 7.513 1.00 0.10 ATOM 1752 N THR 107 4.312 -29.099 6.093 1.00 10.32 ATOM 1753 HN THR 107 4.827 -28.269 5.983 1.00 37.05 ATOM 1754 CA THR 107 4.157 -29.997 4.936 1.00 13.14 ATOM 1755 HA THR 107 3.110 -30.005 4.667 1.00 63.24 ATOM 1756 CB THR 107 4.963 -29.492 3.713 1.00 54.34 ATOM 1757 HB THR 107 6.011 -29.457 3.978 1.00 31.23 ATOM 1758 OG1 THR 107 4.534 -28.170 3.353 1.00 32.21 ATOM 1759 HG1 THR 107 4.667 -28.038 2.406 1.00 53.33 ATOM 1760 CG2 THR 107 4.793 -30.421 2.513 1.00 51.52 ATOM 1761 HG21 THR 107 3.749 -30.466 2.238 1.00 51.33 ATOM 1762 HG22 THR 107 5.141 -31.411 2.767 1.00 73.12 ATOM 1763 HG23 THR 107 5.367 -30.041 1.680 1.00 73.05 ATOM 1764 C THR 107 4.595 -31.431 5.263 1.00 4.25 ATOM 1765 O THR 107 3.844 -32.385 5.049 1.00 3.42 ATOM 1766 N LEU 108 5.809 -31.575 5.793 1.00 51.12 ATOM 1767 HN LEU 108 6.370 -30.779 5.923 1.00 37.05 ATOM 1768 CA LEU 108 6.327 -32.888 6.194 1.00 53.30 ATOM 1769 HA LEU 108 6.342 -33.521 5.318 1.00 51.33 ATOM 1770 CB LEU 108 7.756 -32.751 6.736 1.00 61.22 ATOM 1771 HB1 LEU 108 8.071 -33.718 7.107 1.00 37.05 ATOM 1772 HB2 LEU 108 7.737 -32.058 7.566 1.00 32.32 ATOM 1773 CG LEU 108 8.804 -32.263 5.726 1.00 72.51 ATOM 1774 HG LEU 108 8.498 -31.301 5.335 1.00 50.23 ATOM 1775 CD1 LEU 108 10.158 -32.081 6.407 1.00 23.14 ATOM 1776 HD11 LEU 108 10.882 -31.731 5.685 1.00 3.14 ATOM 1777 HD12 LEU 108 10.487 -33.024 6.818 1.00 12.44 ATOM 1778 HD13 LEU 108 10.065 -31.355 7.203 1.00 13.04 ATOM 1779 CD2 LEU 108 8.912 -33.236 4.553 1.00 44.14 ATOM 1780 HD21 LEU 108 9.175 -34.218 4.919 1.00 44.44 ATOM 1781 HD22 LEU 108 9.672 -32.892 3.867 1.00 63.10 ATOM 1782 HD23 LEU 108 7.963 -33.287 4.039 1.00 61.34 ATOM 1783 C LEU 108 5.436 -33.537 7.259 1.00 5.13 ATOM 1784 O LEU 108 5.151 -34.731 7.203 1.00 21.53 ATOM 1785 N ARG 109 4.994 -32.729 8.218 1.00 24.53 ATOM 1786 HN ARG 109 5.237 -31.780 8.181 1.00 37.05 ATOM 1787 CA ARG 109 4.157 -33.202 9.326 1.00 44.13 ATOM 1788 HA ARG 109 4.706 -33.971 9.851 1.00 43.15 ATOM 1789 CB ARG 109 3.890 -32.041 10.289 1.00 22.31 ATOM 1790 HB1 ARG 109 3.367 -31.261 9.757 1.00 37.05 ATOM 1791 HB2 ARG 109 4.840 -31.650 10.625 1.00 44.30 ATOM 1792 CG ARG 109 3.072 -32.414 11.518 1.00 11.54 ATOM 1793 HG1 ARG 109 3.647 -33.091 12.133 1.00 37.05 ATOM 1794 HG2 ARG 109 2.158 -32.897 11.201 1.00 64.54 ATOM 1795 CD ARG 109 2.720 -31.179 12.335 1.00 61.02 ATOM 1796 HD1 ARG 109 2.294 -31.496 13.278 1.00 37.05 ATOM 1797 HD2 ARG 109 1.991 -30.595 11.792 1.00 41.42 ATOM 1798 NE ARG 109 3.893 -30.344 12.599 1.00 32.13 ATOM 1799 HE ARG 109 4.673 -30.463 12.022 1.00 20.40 ATOM 1800 CZ ARG 109 3.954 -29.448 13.541 1.00 25.42 ATOM 1801 NH1 ARG 109 2.950 -29.262 14.336 1.00 22.13 ATOM 1802 HH11 ARG 109 2.123 -29.802 14.228 1.00 51.21 ATOM 1803 HH12 ARG 109 3.015 -28.579 15.061 1.00 3.03 ATOM 1804 NH2 ARG 109 5.025 -28.740 13.693 1.00 72.43 ATOM 1805 HH21 ARG 109 5.804 -28.876 13.091 1.00 20.13 ATOM 1806 HH22 ARG 109 5.064 -28.051 14.419 1.00 34.45 ATOM 1807 C ARG 109 2.825 -33.796 8.829 1.00 73.05 ATOM 1808 O ARG 109 2.442 -34.901 9.220 1.00 3.42 ATOM 1809 N THR 110 2.125 -33.053 7.972 1.00 32.41 ATOM 1810 HN THR 110 2.477 -32.177 7.705 1.00 37.05 ATOM 1811 CA THR 110 0.839 -33.502 7.417 1.00 43.11 ATOM 1812 HA THR 110 0.172 -33.698 8.247 1.00 32.21 ATOM 1813 CB THR 110 0.189 -32.412 6.526 1.00 63.02 ATOM 1814 HB THR 110 0.869 -32.173 5.720 1.00 31.44 ATOM 1815 OG1 THR 110 -0.053 -31.226 7.296 1.00 64.54 ATOM 1816 HG1 THR 110 -0.940 -31.261 7.666 1.00 21.42 ATOM 1817 CG2 THR 110 -1.129 -32.896 5.925 1.00 54.20 ATOM 1818 HG21 THR 110 -0.948 -33.761 5.303 1.00 53.41 ATOM 1819 HG22 THR 110 -1.563 -32.108 5.326 1.00 2.42 ATOM 1820 HG23 THR 110 -1.812 -33.160 6.719 1.00 12.54 ATOM 1821 C THR 110 0.998 -34.790 6.595 1.00 63.02 ATOM 1822 O THR 110 0.271 -35.765 6.802 1.00 73.03 ATOM 1823 N GLN 111 1.956 -34.792 5.667 1.00 61.23 ATOM 1824 HN GLN 111 2.498 -33.982 5.539 1.00 37.05 ATOM 1825 CA GLN 111 2.223 -35.972 4.833 1.00 63.54 ATOM 1826 HA GLN 111 1.308 -36.220 4.311 1.00 42.32 ATOM 1827 CB GLN 111 3.319 -35.661 3.800 1.00 51.14 ATOM 1828 HB1 GLN 111 3.491 -36.543 3.197 1.00 37.05 ATOM 1829 HB2 GLN 111 4.233 -35.413 4.323 1.00 45.24 ATOM 1830 CG GLN 111 2.977 -34.503 2.863 1.00 11.41 ATOM 1831 HG1 GLN 111 3.824 -34.320 2.216 1.00 37.05 ATOM 1832 HG2 GLN 111 2.792 -33.620 3.459 1.00 23.33 ATOM 1833 CD GLN 111 1.753 -34.763 1.994 1.00 31.40 ATOM 1834 OE1 GLN 111 1.024 -33.843 1.635 1.00 72.42 ATOM 1835 NE2 GLN 111 1.521 -36.013 1.632 1.00 34.54 ATOM 1836 HE21 GLN 111 2.140 -36.706 1.931 1.00 51.32 ATOM 1837 HE22 GLN 111 0.731 -36.191 1.078 1.00 30.43 ATOM 1838 C GLN 111 2.636 -37.176 5.696 1.00 42.41 ATOM 1839 O GLN 111 2.189 -38.301 5.474 1.00 1.45 ATOM 1840 N TYR 112 3.486 -36.922 6.686 1.00 60.52 ATOM 1841 HN TYR 112 3.844 -36.014 6.782 1.00 37.05 ATOM 1842 CA TYR 112 3.912 -37.954 7.636 1.00 41.55 ATOM 1843 HA TYR 112 4.397 -38.743 7.078 1.00 2.04 ATOM 1844 CB TYR 112 4.911 -37.352 8.635 1.00 25.14 ATOM 1845 HB1 TYR 112 4.401 -36.608 9.235 1.00 37.05 ATOM 1846 HB2 TYR 112 5.706 -36.868 8.086 1.00 43.20 ATOM 1847 CG TYR 112 5.547 -38.359 9.579 1.00 11.43 ATOM 1848 CD1 TYR 112 4.925 -38.728 10.769 1.00 44.14 ATOM 1849 HD1 TYR 112 3.969 -38.293 11.020 1.00 34.32 ATOM 1850 CD2 TYR 112 6.775 -38.934 9.281 1.00 32.42 ATOM 1851 HD2 TYR 112 7.273 -38.661 8.363 1.00 3.21 ATOM 1852 CE1 TYR 112 5.510 -39.637 11.627 1.00 12.12 ATOM 1853 HE1 TYR 112 5.012 -39.911 12.546 1.00 12.04 ATOM 1854 CE2 TYR 112 7.363 -39.844 10.135 1.00 3.40 ATOM 1855 HE2 TYR 112 8.318 -40.275 9.884 1.00 35.03 ATOM 1856 CZ TYR 112 6.729 -40.192 11.306 1.00 34.14 ATOM 1857 OH TYR 112 7.317 -41.097 12.159 1.00 34.45 ATOM 1858 HH TYR 112 6.652 -41.437 12.773 1.00 54.30 ATOM 1859 C TYR 112 2.704 -38.535 8.390 1.00 13.13 ATOM 1860 O TYR 112 2.577 -39.748 8.549 1.00 23.24 ATOM 1861 N MET 113 1.817 -37.651 8.835 1.00 13.14 ATOM 1862 HN MET 113 1.959 -36.701 8.632 1.00 37.05 ATOM 1863 CA MET 113 0.642 -38.037 9.622 1.00 23.51 ATOM 1864 HA MET 113 0.993 -38.566 10.496 1.00 50.23 ATOM 1865 CB MET 113 -0.103 -36.779 10.077 1.00 43.52 ATOM 1866 HB1 MET 113 -0.536 -36.297 9.211 1.00 37.05 ATOM 1867 HB2 MET 113 0.608 -36.101 10.530 1.00 53.42 ATOM 1868 CG MET 113 -1.215 -37.040 11.084 1.00 12.44 ATOM 1869 HG1 MET 113 -0.790 -37.509 11.961 1.00 37.05 ATOM 1870 HG2 MET 113 -1.941 -37.703 10.637 1.00 73.02 ATOM 1871 SD MET 113 -2.053 -35.524 11.587 1.00 64.12 ATOM 1872 CE MET 113 -0.660 -34.540 12.134 1.00 43.11 ATOM 1873 HE1 MET 113 -0.169 -35.036 12.958 1.00 63.22 ATOM 1874 HE2 MET 113 -1.010 -33.570 12.455 1.00 45.02 ATOM 1875 HE3 MET 113 0.040 -34.418 11.320 1.00 53.51 ATOM 1876 C MET 113 -0.307 -38.958 8.837 1.00 52.34 ATOM 1877 O MET 113 -0.937 -39.851 9.408 1.00 52.43 ATOM 1878 N LYS 114 -0.405 -38.737 7.532 1.00 43.13 ATOM 1879 HN LYS 114 0.124 -38.013 7.132 1.00 37.05 ATOM 1880 CA LYS 114 -1.296 -39.531 6.677 1.00 54.53 ATOM 1881 HA LYS 114 -2.222 -39.678 7.216 1.00 22.14 ATOM 1882 CB LYS 114 -1.598 -38.766 5.384 1.00 34.54 ATOM 1883 HB1 LYS 114 -2.193 -39.397 4.737 1.00 37.05 ATOM 1884 HB2 LYS 114 -0.663 -38.545 4.888 1.00 2.04 ATOM 1885 CG LYS 114 -2.349 -37.454 5.594 1.00 33.52 ATOM 1886 HG1 LYS 114 -1.788 -36.839 6.284 1.00 37.05 ATOM 1887 HG2 LYS 114 -3.322 -37.670 6.013 1.00 10.44 ATOM 1888 CD LYS 114 -2.532 -36.689 4.283 1.00 4.53 ATOM 1889 HD1 LYS 114 -1.559 -36.427 3.891 1.00 37.05 ATOM 1890 HD2 LYS 114 -3.093 -35.787 4.481 1.00 52.02 ATOM 1891 CE LYS 114 -3.282 -37.513 3.239 1.00 51.43 ATOM 1892 HE1 LYS 114 -4.268 -37.740 3.616 1.00 37.05 ATOM 1893 HE2 LYS 114 -2.743 -38.433 3.063 1.00 51.53 ATOM 1894 NZ LYS 114 -3.414 -36.783 1.953 1.00 4.32 ATOM 1895 HZ1 LYS 114 -4.066 -35.979 2.057 1.00 2.32 ATOM 1896 HZ2 LYS 114 -3.775 -37.417 1.215 1.00 62.15 ATOM 1897 HZ3 LYS 114 -2.487 -36.422 1.652 1.00 61.20 ATOM 1898 C LYS 114 -0.704 -40.910 6.330 1.00 21.31 ATOM 1899 O LYS 114 -1.424 -41.910 6.289 1.00 4.12 ATOM 1900 N TYR 115 0.605 -40.956 6.074 1.00 61.12 ATOM 1901 HN TYR 115 1.143 -40.144 6.196 1.00 37.05 ATOM 1902 CA TYR 115 1.259 -42.188 5.597 1.00 12.14 ATOM 1903 HA TYR 115 0.495 -42.833 5.186 1.00 53.24 ATOM 1904 CB TYR 115 2.266 -41.847 4.480 1.00 41.44 ATOM 1905 HB1 TYR 115 2.770 -42.755 4.176 1.00 37.05 ATOM 1906 HB2 TYR 115 3.000 -41.155 4.868 1.00 51.51 ATOM 1907 CG TYR 115 1.652 -41.215 3.237 1.00 13.05 ATOM 1908 CD1 TYR 115 1.717 -41.849 1.999 1.00 22.22 ATOM 1909 HD1 TYR 115 2.207 -42.810 1.925 1.00 33.41 ATOM 1910 CD2 TYR 115 1.017 -39.979 3.301 1.00 32.33 ATOM 1911 HD2 TYR 115 0.955 -39.471 4.253 1.00 14.24 ATOM 1912 CE1 TYR 115 1.171 -41.268 0.869 1.00 32.21 ATOM 1913 HE1 TYR 115 1.230 -41.777 -0.083 1.00 65.12 ATOM 1914 CE2 TYR 115 0.466 -39.396 2.178 1.00 64.32 ATOM 1915 HE2 TYR 115 -0.024 -38.436 2.254 1.00 11.31 ATOM 1916 CZ TYR 115 0.546 -40.041 0.965 1.00 71.55 ATOM 1917 OH TYR 115 -0.002 -39.456 -0.156 1.00 1.02 ATOM 1918 HH TYR 115 -0.184 -40.135 -0.815 1.00 15.12 ATOM 1919 C TYR 115 1.997 -42.952 6.718 1.00 21.25 ATOM 1920 O TYR 115 1.778 -44.144 6.918 1.00 44.30 ATOM 1921 N LEU 116 2.853 -42.249 7.460 1.00 33.03 ATOM 1922 HN LEU 116 2.837 -41.272 7.403 1.00 37.05 ATOM 1923 CA LEU 116 3.824 -42.897 8.363 1.00 42.24 ATOM 1924 HA LEU 116 3.949 -43.918 8.031 1.00 14.14 ATOM 1925 CB LEU 116 5.176 -42.182 8.239 1.00 45.30 ATOM 1926 HB1 LEU 116 5.878 -42.659 8.908 1.00 37.05 ATOM 1927 HB2 LEU 116 5.047 -41.154 8.553 1.00 11.02 ATOM 1928 CG LEU 116 5.780 -42.185 6.823 1.00 63.20 ATOM 1929 HG LEU 116 5.045 -41.803 6.127 1.00 71.21 ATOM 1930 CD1 LEU 116 7.005 -41.280 6.750 1.00 43.24 ATOM 1931 HD11 LEU 116 6.717 -40.264 6.984 1.00 71.42 ATOM 1932 HD12 LEU 116 7.420 -41.313 5.753 1.00 51.34 ATOM 1933 HD13 LEU 116 7.746 -41.616 7.460 1.00 21.10 ATOM 1934 CD2 LEU 116 6.137 -43.607 6.395 1.00 10.23 ATOM 1935 HD21 LEU 116 5.256 -44.231 6.440 1.00 63.20 ATOM 1936 HD22 LEU 116 6.894 -44.006 7.056 1.00 2.02 ATOM 1937 HD23 LEU 116 6.516 -43.594 5.383 1.00 40.02 ATOM 1938 C LEU 116 3.377 -42.921 9.837 1.00 5.42 ATOM 1939 O LEU 116 3.750 -43.828 10.584 1.00 41.12 ATOM 1940 N TYR 117 2.576 -41.940 10.252 1.00 71.25 ATOM 1941 HN TYR 117 2.264 -41.275 9.604 1.00 37.05 ATOM 1942 CA TYR 117 2.141 -41.837 11.657 1.00 53.25 ATOM 1943 HA TYR 117 3.034 -41.697 12.253 1.00 10.11 ATOM 1944 CB TYR 117 1.227 -40.619 11.869 1.00 74.10 ATOM 1945 HB1 TYR 117 0.442 -40.632 11.126 1.00 37.05 ATOM 1946 HB2 TYR 117 1.809 -39.715 11.754 1.00 73.02 ATOM 1947 CG TYR 117 0.576 -40.581 13.241 1.00 3.03 ATOM 1948 CD1 TYR 117 -0.743 -40.993 13.419 1.00 35.40 ATOM 1949 HD1 TYR 117 -1.309 -41.328 12.563 1.00 15.55 ATOM 1950 CD2 TYR 117 1.285 -40.154 14.360 1.00 13.30 ATOM 1951 HD2 TYR 117 2.308 -39.827 14.241 1.00 73.42 ATOM 1952 CE1 TYR 117 -1.331 -40.980 14.667 1.00 60.22 ATOM 1953 HE1 TYR 117 -2.356 -41.304 14.783 1.00 22.03 ATOM 1954 CE2 TYR 117 0.698 -40.136 15.610 1.00 41.04 ATOM 1955 HE2 TYR 117 1.264 -39.800 16.466 1.00 51.31 ATOM 1956 CZ TYR 117 -0.608 -40.553 15.757 1.00 22.34 ATOM 1957 OH TYR 117 -1.195 -40.542 16.998 1.00 15.14 ATOM 1958 HH TYR 117 -1.523 -41.422 17.201 1.00 63.41 ATOM 1959 C TYR 117 1.435 -43.117 12.155 1.00 51.14 ATOM 1960 O TYR 117 1.758 -43.619 13.234 1.00 20.22 ATOM 1961 N PRO 118 0.456 -43.672 11.399 1.00 43.50 ATOM 1962 CA PRO 118 -0.218 -44.918 11.802 1.00 73.15 ATOM 1963 HA PRO 118 -0.826 -44.764 12.684 1.00 54.22 ATOM 1964 CB PRO 118 -1.126 -45.256 10.601 1.00 51.42 ATOM 1965 HB1 PRO 118 -2.152 -45.027 10.851 1.00 37.05 ATOM 1966 HB2 PRO 118 -1.040 -46.306 10.359 1.00 3.22 ATOM 1967 CG PRO 118 -0.637 -44.397 9.478 1.00 64.02 ATOM 1968 HG1 PRO 118 -1.457 -44.144 8.821 1.00 37.05 ATOM 1969 HG2 PRO 118 0.137 -44.916 8.928 1.00 43.21 ATOM 1970 CD PRO 118 -0.079 -43.158 10.122 1.00 23.44 ATOM 1971 HD1 PRO 118 -0.861 -42.431 10.294 1.00 37.05 ATOM 1972 HD2 PRO 118 0.707 -42.733 9.513 1.00 3.32 ATOM 1973 C PRO 118 0.782 -46.055 12.072 1.00 33.31 ATOM 1974 O PRO 118 0.535 -46.934 12.899 1.00 62.33 ATOM 1975 N TYR 119 1.928 -46.010 11.394 1.00 14.45 ATOM 1976 HN TYR 119 2.095 -45.255 10.791 1.00 37.05 ATOM 1977 CA TYR 119 2.948 -47.048 11.529 1.00 61.35 ATOM 1978 HA TYR 119 2.444 -48.006 11.499 1.00 34.14 ATOM 1979 CB TYR 119 3.938 -46.974 10.356 1.00 75.30 ATOM 1980 HB1 TYR 119 4.740 -46.294 10.606 1.00 37.05 ATOM 1981 HB2 TYR 119 3.422 -46.604 9.480 1.00 64.41 ATOM 1982 CG TYR 119 4.549 -48.315 10.003 1.00 51.20 ATOM 1983 CD1 TYR 119 5.839 -48.653 10.397 1.00 31.23 ATOM 1984 HD1 TYR 119 6.421 -47.941 10.962 1.00 30.31 ATOM 1985 CD2 TYR 119 3.820 -49.249 9.277 1.00 13.55 ATOM 1986 HD2 TYR 119 2.815 -49.004 8.961 1.00 32.35 ATOM 1987 CE1 TYR 119 6.381 -49.883 10.078 1.00 1.40 ATOM 1988 HE1 TYR 119 7.385 -50.129 10.393 1.00 22.21 ATOM 1989 CE2 TYR 119 4.356 -50.477 8.953 1.00 2.21 ATOM 1990 HE2 TYR 119 3.772 -51.189 8.385 1.00 65.22 ATOM 1991 CZ TYR 119 5.637 -50.789 9.354 1.00 54.34 ATOM 1992 OH TYR 119 6.168 -52.020 9.042 1.00 42.31 ATOM 1993 HH TYR 119 5.859 -52.289 8.166 1.00 2.01 ATOM 1994 C TYR 119 3.689 -46.929 12.876 1.00 33.02 ATOM 1995 O TYR 119 3.841 -47.920 13.596 1.00 43.30 ATOM 1996 N GLU 120 4.131 -45.716 13.228 1.00 63.20 ATOM 1997 HN GLU 120 3.989 -44.958 12.620 1.00 37.05 ATOM 1998 CA GLU 120 4.829 -45.499 14.506 1.00 71.14 ATOM 1999 HA GLU 120 5.628 -46.227 14.566 1.00 55.32 ATOM 2000 CB GLU 120 5.440 -44.088 14.597 1.00 4.35 ATOM 2001 HB1 GLU 120 6.021 -43.904 13.705 1.00 37.05 ATOM 2002 HB2 GLU 120 6.099 -44.052 15.453 1.00 53.23 ATOM 2003 CG GLU 120 4.413 -42.964 14.738 1.00 64.10 ATOM 2004 HG1 GLU 120 3.650 -43.276 15.436 1.00 37.05 ATOM 2005 HG2 GLU 120 3.959 -42.786 13.773 1.00 44.51 ATOM 2006 CD GLU 120 5.024 -41.661 15.233 1.00 73.52 ATOM 2007 OE1 GLU 120 5.631 -40.942 14.421 1.00 3.23 ATOM 2008 OE2 GLU 120 4.898 -41.355 16.440 1.00 13.44 ATOM 2009 C GLU 120 3.882 -45.721 15.694 1.00 11.32 ATOM 2010 O GLU 120 4.285 -46.253 16.730 1.00 13.35 ATOM 2011 N CYS 121 2.623 -45.310 15.536 1.00 62.40 ATOM 2012 HN CYS 121 2.371 -44.865 14.697 1.00 37.05 ATOM 2013 CA CYS 121 1.611 -45.479 16.588 1.00 30.44 ATOM 2014 HA CYS 121 2.007 -45.050 17.497 1.00 1.12 ATOM 2015 CB CYS 121 0.317 -44.740 16.215 1.00 42.02 ATOM 2016 HB1 CYS 121 -0.088 -45.170 15.309 1.00 37.05 ATOM 2017 HB2 CYS 121 0.543 -43.698 16.038 1.00 31.30 ATOM 2018 SG CYS 121 -0.974 -44.811 17.483 1.00 54.21 ATOM 2019 HG CYS 121 -1.973 -45.546 17.015 1.00 14.31 ATOM 2020 C CYS 121 1.309 -46.963 16.840 1.00 63.20 ATOM 2021 O CYS 121 1.032 -47.368 17.969 1.00 23.14 ATOM 2022 N GLU 122 1.377 -47.775 15.784 1.00 50.44 ATOM 2023 HN GLU 122 1.605 -47.397 14.907 1.00 37.05 ATOM 2024 CA GLU 122 1.098 -49.212 15.891 1.00 23.11 ATOM 2025 HA GLU 122 0.393 -49.352 16.700 1.00 71.23 ATOM 2026 CB GLU 122 0.456 -49.717 14.592 1.00 64.44 ATOM 2027 HB1 GLU 122 1.136 -49.528 13.773 1.00 37.05 ATOM 2028 HB2 GLU 122 -0.458 -49.166 14.421 1.00 42.24 ATOM 2029 CG GLU 122 0.119 -51.206 14.600 1.00 41.32 ATOM 2030 HG1 GLU 122 1.038 -51.768 14.695 1.00 37.05 ATOM 2031 HG2 GLU 122 -0.357 -51.459 13.662 1.00 73.54 ATOM 2032 CD GLU 122 -0.815 -51.591 15.736 1.00 52.41 ATOM 2033 OE1 GLU 122 -2.016 -51.254 15.661 1.00 25.50 ATOM 2034 OE2 GLU 122 -0.354 -52.229 16.711 1.00 25.41 ATOM 2035 C GLU 122 2.365 -50.033 16.198 1.00 13.11 ATOM 2036 O GLU 122 2.511 -50.578 17.295 1.00 71.44 ATOM 2037 N LYS 123 3.280 -50.101 15.228 1.00 63.54 ATOM 2038 HN LYS 123 3.157 -49.556 14.422 1.00 37.05 ATOM 2039 CA LYS 123 4.468 -50.967 15.328 1.00 74.41 ATOM 2040 HA LYS 123 4.121 -51.977 15.499 1.00 23.42 ATOM 2041 CB LYS 123 5.262 -50.939 14.009 1.00 25.42 ATOM 2042 HB1 LYS 123 6.199 -51.458 14.157 1.00 37.05 ATOM 2043 HB2 LYS 123 5.474 -49.910 13.753 1.00 33.34 ATOM 2044 CG LYS 123 4.546 -51.583 12.822 1.00 12.13 ATOM 2045 HG1 LYS 123 5.155 -51.455 11.938 1.00 37.05 ATOM 2046 HG2 LYS 123 3.595 -51.092 12.677 1.00 44.40 ATOM 2047 CD LYS 123 4.306 -53.076 13.045 1.00 72.33 ATOM 2048 HD1 LYS 123 3.610 -53.201 13.864 1.00 37.05 ATOM 2049 HD2 LYS 123 5.244 -53.548 13.297 1.00 24.41 ATOM 2050 CE LYS 123 3.736 -53.755 11.803 1.00 23.45 ATOM 2051 HE1 LYS 123 2.837 -53.236 11.504 1.00 37.05 ATOM 2052 HE2 LYS 123 3.492 -54.778 12.049 1.00 1.54 ATOM 2053 NZ LYS 123 4.699 -53.750 10.667 1.00 53.24 ATOM 2054 HZ1 LYS 123 4.927 -52.777 10.389 1.00 12.52 ATOM 2055 HZ2 LYS 123 4.290 -54.243 9.845 1.00 34.43 ATOM 2056 HZ3 LYS 123 5.580 -54.234 10.940 1.00 43.02 ATOM 2057 C LYS 123 5.396 -50.569 16.489 1.00 21.21 ATOM 2058 O LYS 123 6.069 -51.421 17.074 1.00 4.21 ATOM 2059 N ARG 124 5.447 -49.280 16.811 1.00 61.30 ATOM 2060 HN ARG 124 4.885 -48.644 16.321 1.00 37.05 ATOM 2061 CA ARG 124 6.333 -48.788 17.878 1.00 72.24 ATOM 2062 HA ARG 124 6.981 -49.604 18.171 1.00 62.53 ATOM 2063 CB ARG 124 7.205 -47.639 17.350 1.00 12.02 ATOM 2064 HB1 ARG 124 7.807 -47.259 18.164 1.00 37.05 ATOM 2065 HB2 ARG 124 6.555 -46.848 17.002 1.00 33.15 ATOM 2066 CG ARG 124 8.142 -48.020 16.199 1.00 74.35 ATOM 2067 HG1 ARG 124 8.593 -47.117 15.807 1.00 37.05 ATOM 2068 HG2 ARG 124 7.561 -48.493 15.421 1.00 53.02 ATOM 2069 CD ARG 124 9.255 -48.980 16.632 1.00 23.53 ATOM 2070 HD1 ARG 124 9.726 -48.586 17.523 1.00 37.05 ATOM 2071 HD2 ARG 124 9.987 -49.041 15.840 1.00 1.54 ATOM 2072 NE ARG 124 8.757 -50.327 16.914 1.00 70.05 ATOM 2073 HE ARG 124 7.879 -50.568 16.561 1.00 13.34 ATOM 2074 CZ ARG 124 9.399 -51.222 17.614 1.00 65.32 ATOM 2075 NH1 ARG 124 10.582 -50.979 18.085 1.00 31.35 ATOM 2076 HH11 ARG 124 11.019 -50.100 17.912 1.00 23.33 ATOM 2077 HH12 ARG 124 11.050 -51.669 18.635 1.00 74.51 ATOM 2078 NH2 ARG 124 8.850 -52.373 17.831 1.00 43.33 ATOM 2079 HH21 ARG 124 7.945 -52.568 17.462 1.00 0.44 ATOM 2080 HH22 ARG 124 9.329 -53.061 18.370 1.00 22.42 ATOM 2081 C ARG 124 5.548 -48.325 19.122 1.00 22.12 ATOM 2082 O ARG 124 5.982 -48.542 20.253 1.00 14.23 ATOM 2083 N GLY 125 4.386 -47.705 18.908 1.00 42.02 ATOM 2084 HN GLY 125 4.049 -47.626 17.994 1.00 37.05 ATOM 2085 CA GLY 125 3.607 -47.150 20.018 1.00 13.54 ATOM 2086 HA1 GLY 125 3.525 -47.895 20.797 1.00 37.05 ATOM 2087 HA2 GLY 125 2.617 -46.910 19.660 1.00 4.44 ATOM 2088 C GLY 125 4.233 -45.888 20.605 1.00 71.20 ATOM 2089 O GLY 125 4.159 -45.646 21.812 1.00 60.35 ATOM 2090 N LEU 126 4.836 -45.072 19.741 1.00 73.53 ATOM 2091 HN LEU 126 4.784 -45.278 18.784 1.00 37.05 ATOM 2092 CA LEU 126 5.577 -43.879 20.174 1.00 41.42 ATOM 2093 HA LEU 126 6.234 -44.178 20.979 1.00 25.30 ATOM 2094 CB LEU 126 6.435 -43.340 19.021 1.00 72.14 ATOM 2095 HB1 LEU 126 6.948 -42.453 19.366 1.00 37.05 ATOM 2096 HB2 LEU 126 5.774 -43.059 18.211 1.00 74.41 ATOM 2097 CG LEU 126 7.485 -44.316 18.468 1.00 14.22 ATOM 2098 HG LEU 126 6.979 -45.191 18.084 1.00 62.11 ATOM 2099 CD1 LEU 126 8.255 -43.683 17.314 1.00 72.30 ATOM 2100 HD11 LEU 126 7.567 -43.413 16.526 1.00 55.23 ATOM 2101 HD12 LEU 126 8.977 -44.390 16.931 1.00 2.14 ATOM 2102 HD13 LEU 126 8.770 -42.798 17.661 1.00 63.30 ATOM 2103 CD2 LEU 126 8.441 -44.773 19.571 1.00 12.31 ATOM 2104 HD21 LEU 126 8.951 -43.917 19.989 1.00 61.30 ATOM 2105 HD22 LEU 126 9.167 -45.458 19.157 1.00 55.20 ATOM 2106 HD23 LEU 126 7.881 -45.274 20.348 1.00 61.21 ATOM 2107 C LEU 126 4.657 -42.761 20.687 1.00 25.01 ATOM 2108 O LEU 126 5.007 -42.048 21.632 1.00 54.25 ATOM 2109 N SER 127 3.489 -42.606 20.066 1.00 22.12 ATOM 2110 HN SER 127 3.232 -43.242 19.369 1.00 37.05 ATOM 2111 CA SER 127 2.578 -41.498 20.398 1.00 4.22 ATOM 2112 HA SER 127 2.785 -41.189 21.413 1.00 12.35 ATOM 2113 CB SER 127 2.839 -40.313 19.461 1.00 31.54 ATOM 2114 HB1 SER 127 3.873 -40.011 19.547 1.00 37.05 ATOM 2115 HB2 SER 127 2.201 -39.487 19.739 1.00 10.22 ATOM 2116 OG SER 127 2.576 -40.653 18.107 1.00 5.04 ATOM 2117 HG SER 127 3.407 -40.856 17.653 1.00 51.41 ATOM 2118 C SER 127 1.100 -41.906 20.306 1.00 71.02 ATOM 2119 O SER 127 0.763 -42.981 19.801 1.00 50.00 ATOM 2120 N ASN 128 0.222 -41.040 20.817 1.00 12.44 ATOM 2121 HN ASN 128 0.560 -40.222 21.240 1.00 37.05 ATOM 2122 CA ASN 128 -1.230 -41.266 20.768 1.00 22.52 ATOM 2123 HA ASN 128 -1.408 -42.227 20.304 1.00 32.24 ATOM 2124 CB ASN 128 -1.821 -41.273 22.184 1.00 12.04 ATOM 2125 HB1 ASN 128 -2.846 -41.615 22.136 1.00 37.05 ATOM 2126 HB2 ASN 128 -1.806 -40.266 22.578 1.00 20.12 ATOM 2127 CG ASN 128 -1.060 -42.169 23.138 1.00 21.34 ATOM 2128 OD1 ASN 128 -1.331 -43.360 23.249 1.00 31.41 ATOM 2129 ND2 ASN 128 -0.113 -41.595 23.852 1.00 43.22 ATOM 2130 HD21 ASN 128 0.045 -40.635 23.726 1.00 25.34 ATOM 2131 HD22 ASN 128 0.396 -42.147 24.470 1.00 22.22 ATOM 2132 C ASN 128 -1.929 -40.171 19.944 1.00 32.00 ATOM 2133 O ASN 128 -1.492 -39.018 19.940 1.00 10.23 ATOM 2134 N PRO 129 -3.051 -40.503 19.267 1.00 75.41 ATOM 2135 CA PRO 129 -3.801 -39.530 18.442 1.00 71.32 ATOM 2136 HA PRO 129 -3.190 -39.162 17.627 1.00 73.11 ATOM 2137 CB PRO 129 -4.966 -40.361 17.873 1.00 2.31 ATOM 2138 HB1 PRO 129 -4.735 -40.663 16.860 1.00 37.05 ATOM 2139 HB2 PRO 129 -5.874 -39.772 17.877 1.00 61.14 ATOM 2140 CG PRO 129 -5.078 -41.543 18.781 1.00 13.03 ATOM 2141 HG1 PRO 129 -5.484 -42.387 18.240 1.00 37.05 ATOM 2142 HG2 PRO 129 -5.709 -41.300 19.625 1.00 32.14 ATOM 2143 CD PRO 129 -3.678 -41.840 19.243 1.00 42.43 ATOM 2144 HD1 PRO 129 -3.174 -42.491 18.542 1.00 37.05 ATOM 2145 HD2 PRO 129 -3.690 -42.282 20.230 1.00 4.53 ATOM 2146 C PRO 129 -4.333 -38.329 19.249 1.00 22.04 ATOM 2147 O PRO 129 -4.611 -37.266 18.690 1.00 61.32 ATOM 2148 N ASN 130 -4.474 -38.498 20.565 1.00 24.31 ATOM 2149 HN ASN 130 -4.236 -39.360 20.962 1.00 37.05 ATOM 2150 CA ASN 130 -4.974 -37.421 21.429 1.00 65.22 ATOM 2151 HA ASN 130 -5.758 -36.912 20.884 1.00 42.43 ATOM 2152 CB ASN 130 -5.575 -37.990 22.721 1.00 24.21 ATOM 2153 HB1 ASN 130 -5.812 -37.177 23.393 1.00 37.05 ATOM 2154 HB2 ASN 130 -4.854 -38.641 23.192 1.00 23.23 ATOM 2155 CG ASN 130 -6.842 -38.781 22.461 1.00 2.05 ATOM 2156 OD1 ASN 130 -7.925 -38.217 22.353 1.00 1.15 ATOM 2157 ND2 ASN 130 -6.727 -40.090 22.385 1.00 2.15 ATOM 2158 HD21 ASN 130 -5.842 -40.489 22.503 1.00 1.34 ATOM 2159 HD22 ASN 130 -7.539 -40.612 22.219 1.00 3.02 ATOM 2160 C ASN 130 -3.876 -36.393 21.753 1.00 71.14 ATOM 2161 O ASN 130 -4.076 -35.189 21.562 1.00 33.55 ATOM 2162 N GLU 131 -2.721 -36.861 22.235 1.00 11.03 ATOM 2163 HN GLU 131 -2.624 -37.824 22.409 1.00 37.05 ATOM 2164 CA GLU 131 -1.595 -35.961 22.532 1.00 74.00 ATOM 2165 HA GLU 131 -1.944 -35.229 23.248 1.00 35.11 ATOM 2166 CB GLU 131 -0.419 -36.741 23.151 1.00 33.14 ATOM 2167 HB1 GLU 131 -0.798 -37.351 23.959 1.00 37.05 ATOM 2168 HB2 GLU 131 0.292 -36.037 23.557 1.00 60.22 ATOM 2169 CG GLU 131 0.319 -37.651 22.175 1.00 72.23 ATOM 2170 HG1 GLU 131 0.662 -37.058 21.337 1.00 37.05 ATOM 2171 HG2 GLU 131 -0.367 -38.407 21.816 1.00 74.31 ATOM 2172 CD GLU 131 1.520 -38.338 22.807 1.00 62.11 ATOM 2173 OE1 GLU 131 1.478 -39.570 22.988 1.00 30.43 ATOM 2174 OE2 GLU 131 2.500 -37.648 23.143 1.00 4.51 ATOM 2175 C GLU 131 -1.141 -35.224 21.259 1.00 22.43 ATOM 2176 O GLU 131 -0.711 -34.067 21.312 1.00 62.22 ATOM 2177 N LEU 132 -1.251 -35.911 20.119 1.00 31.10 ATOM 2178 HN LEU 132 -1.540 -36.848 20.162 1.00 37.05 ATOM 2179 CA LEU 132 -0.937 -35.330 18.808 1.00 42.10 ATOM 2180 HA LEU 132 0.118 -35.097 18.792 1.00 31.14 ATOM 2181 CB LEU 132 -1.238 -36.357 17.704 1.00 20.34 ATOM 2182 HB1 LEU 132 -2.277 -36.643 17.784 1.00 37.05 ATOM 2183 HB2 LEU 132 -0.630 -37.234 17.886 1.00 71.31 ATOM 2184 CG LEU 132 -0.978 -35.882 16.262 1.00 35.03 ATOM 2185 HG LEU 132 -1.536 -34.973 16.087 1.00 52.24 ATOM 2186 CD1 LEU 132 0.501 -35.567 16.052 1.00 44.22 ATOM 2187 HD11 LEU 132 0.804 -34.785 16.734 1.00 75.31 ATOM 2188 HD12 LEU 132 0.661 -35.236 15.036 1.00 74.54 ATOM 2189 HD13 LEU 132 1.091 -36.453 16.238 1.00 10.01 ATOM 2190 CD2 LEU 132 -1.460 -36.927 15.256 1.00 61.31 ATOM 2191 HD21 LEU 132 -2.523 -37.080 15.375 1.00 13.22 ATOM 2192 HD22 LEU 132 -0.942 -37.860 15.427 1.00 44.11 ATOM 2193 HD23 LEU 132 -1.257 -36.583 14.252 1.00 71.50 ATOM 2194 C LEU 132 -1.738 -34.042 18.553 1.00 75.44 ATOM 2195 O LEU 132 -1.172 -33.002 18.209 1.00 61.43 ATOM 2196 N GLN 133 -3.058 -34.121 18.727 1.00 12.51 ATOM 2197 HN GLN 133 -3.447 -34.974 19.017 1.00 37.05 ATOM 2198 CA GLN 133 -3.948 -32.977 18.491 1.00 14.12 ATOM 2199 HA GLN 133 -3.869 -32.712 17.446 1.00 4.04 ATOM 2200 CB GLN 133 -5.400 -33.376 18.793 1.00 31.52 ATOM 2201 HB1 GLN 133 -5.485 -33.605 19.847 1.00 37.05 ATOM 2202 HB2 GLN 133 -5.641 -34.263 18.224 1.00 12.53 ATOM 2203 CG GLN 133 -6.427 -32.299 18.454 1.00 52.33 ATOM 2204 HG1 GLN 133 -6.225 -31.424 19.059 1.00 37.05 ATOM 2205 HG2 GLN 133 -7.413 -32.675 18.690 1.00 71.14 ATOM 2206 CD GLN 133 -6.400 -31.897 16.986 1.00 23.34 ATOM 2207 OE1 GLN 133 -7.072 -32.496 16.150 1.00 4.55 ATOM 2208 NE2 GLN 133 -5.632 -30.876 16.657 1.00 2.34 ATOM 2209 HE21 GLN 133 -5.123 -30.429 17.365 1.00 64.35 ATOM 2210 HE22 GLN 133 -5.610 -30.604 15.719 1.00 24.11 ATOM 2211 C GLN 133 -3.544 -31.756 19.339 1.00 2.54 ATOM 2212 O GLN 133 -3.554 -30.619 18.856 1.00 71.31 ATOM 2213 N ALA 134 -3.183 -32.000 20.600 1.00 53.21 ATOM 2214 HN ALA 134 -3.219 -32.921 20.933 1.00 37.05 ATOM 2215 CA ALA 134 -2.731 -30.934 21.504 1.00 14.04 ATOM 2216 HA ALA 134 -3.505 -30.178 21.539 1.00 22.21 ATOM 2217 CB ALA 134 -2.544 -31.489 22.912 1.00 32.03 ATOM 2218 HB1 ALA 134 -2.264 -30.689 23.583 1.00 14.41 ATOM 2219 HB2 ALA 134 -1.767 -32.240 22.904 1.00 52.45 ATOM 2220 HB3 ALA 134 -3.468 -31.934 23.250 1.00 52.21 ATOM 2221 C ALA 134 -1.428 -30.290 21.000 1.00 41.22 ATOM 2222 O ALA 134 -1.296 -29.064 20.974 1.00 2.02 ATOM 2223 N ALA 135 -0.475 -31.131 20.589 1.00 63.32 ATOM 2224 HN ALA 135 -0.632 -32.097 20.663 1.00 37.05 ATOM 2225 CA ALA 135 0.803 -30.659 20.035 1.00 63.03 ATOM 2226 HA ALA 135 1.335 -30.132 20.815 1.00 2.44 ATOM 2227 CB ALA 135 1.649 -31.850 19.600 1.00 53.30 ATOM 2228 HB1 ALA 135 2.617 -31.502 19.269 1.00 73.20 ATOM 2229 HB2 ALA 135 1.154 -32.365 18.784 1.00 62.32 ATOM 2230 HB3 ALA 135 1.775 -32.530 20.430 1.00 64.53 ATOM 2231 C ALA 135 0.585 -29.713 18.843 1.00 11.41 ATOM 2232 O ALA 135 1.165 -28.626 18.769 1.00 11.13 ATOM 2233 N ILE 136 -0.264 -30.143 17.915 1.00 42.44 ATOM 2234 HN ILE 136 -0.692 -31.018 18.040 1.00 37.05 ATOM 2235 CA ILE 136 -0.584 -29.364 16.715 1.00 71.34 ATOM 2236 HA ILE 136 0.345 -29.122 16.215 1.00 52.40 ATOM 2237 CB ILE 136 -1.450 -30.204 15.749 1.00 10.53 ATOM 2238 HB ILE 136 -2.389 -30.421 16.239 1.00 11.41 ATOM 2239 CG1 ILE 136 -0.735 -31.526 15.430 1.00 72.43 ATOM 2240 HG11 ILE 136 -0.332 -31.941 16.344 1.00 37.05 ATOM 2241 HG12 ILE 136 0.077 -31.338 14.742 1.00 52.42 ATOM 2242 CG2 ILE 136 -1.754 -29.427 14.466 1.00 21.12 ATOM 2243 HG21 ILE 136 -2.304 -28.529 14.709 1.00 34.31 ATOM 2244 HG22 ILE 136 -2.347 -30.041 13.803 1.00 33.54 ATOM 2245 HG23 ILE 136 -0.829 -29.161 13.975 1.00 35.23 ATOM 2246 CD1 ILE 136 -1.633 -32.570 14.811 1.00 63.51 ATOM 2247 HD11 ILE 136 -2.427 -32.811 15.501 1.00 24.23 ATOM 2248 HD12 ILE 136 -1.054 -33.458 14.604 1.00 10.40 ATOM 2249 HD13 ILE 136 -2.054 -32.189 13.892 1.00 25.13 ATOM 2250 C ILE 136 -1.316 -28.061 17.064 1.00 22.14 ATOM 2251 O ILE 136 -1.046 -27.009 16.480 1.00 72.41 ATOM 2252 N ASP 137 -2.233 -28.134 18.026 1.00 41.14 ATOM 2253 HN ASP 137 -2.411 -29.002 18.450 1.00 37.05 ATOM 2254 CA ASP 137 -2.981 -26.958 18.476 1.00 61.31 ATOM 2255 HA ASP 137 -3.546 -26.582 17.633 1.00 4.14 ATOM 2256 CB ASP 137 -3.952 -27.355 19.595 1.00 52.44 ATOM 2257 HB1 ASP 137 -3.391 -27.565 20.495 1.00 37.05 ATOM 2258 HB2 ASP 137 -4.488 -28.247 19.298 1.00 70.31 ATOM 2259 CG ASP 137 -4.962 -26.266 19.898 1.00 1.51 ATOM 2260 OD1 ASP 137 -6.086 -26.329 19.357 1.00 75.03 ATOM 2261 OD2 ASP 137 -4.633 -25.337 20.663 1.00 52.22 ATOM 2262 C ASP 137 -2.020 -25.858 18.967 1.00 72.32 ATOM 2263 O ASP 137 -2.169 -24.682 18.626 1.00 73.43 ATOM 2264 N SER 138 -1.023 -26.265 19.753 1.00 43.14 ATOM 2265 HN SER 138 -0.976 -27.213 20.009 1.00 37.05 ATOM 2266 CA SER 138 0.002 -25.343 20.261 1.00 44.12 ATOM 2267 HA SER 138 -0.496 -24.592 20.859 1.00 34.45 ATOM 2268 CB SER 138 1.008 -26.094 21.144 1.00 10.44 ATOM 2269 HB1 SER 138 1.772 -25.407 21.482 1.00 37.05 ATOM 2270 HB2 SER 138 1.468 -26.886 20.570 1.00 4.02 ATOM 2271 OG SER 138 0.375 -26.666 22.283 1.00 33.42 ATOM 2272 HG SER 138 -0.101 -25.973 22.763 1.00 21.40 ATOM 2273 C SER 138 0.748 -24.645 19.117 1.00 62.22 ATOM 2274 O SER 138 1.058 -23.455 19.199 1.00 12.13 ATOM 2275 N ASN 139 1.029 -25.390 18.049 1.00 72.32 ATOM 2276 HN ASN 139 0.763 -26.335 18.046 1.00 37.05 ATOM 2277 CA ASN 139 1.720 -24.834 16.879 1.00 12.33 ATOM 2278 HA ASN 139 2.590 -24.301 17.239 1.00 30.53 ATOM 2279 CB ASN 139 2.185 -25.960 15.946 1.00 50.15 ATOM 2280 HB1 ASN 139 2.514 -25.529 15.011 1.00 37.05 ATOM 2281 HB2 ASN 139 1.353 -26.624 15.754 1.00 64.22 ATOM 2282 CG ASN 139 3.331 -26.787 16.519 1.00 3.02 ATOM 2283 OD1 ASN 139 4.141 -27.334 15.777 1.00 22.30 ATOM 2284 ND2 ASN 139 3.415 -26.895 17.829 1.00 35.03 ATOM 2285 HD21 ASN 139 2.746 -26.442 18.380 1.00 45.31 ATOM 2286 HD22 ASN 139 4.142 -27.435 18.200 1.00 51.24 ATOM 2287 C ASN 139 0.824 -23.841 16.115 1.00 65.01 ATOM 2288 O ASN 139 1.317 -22.879 15.527 1.00 51.33 ATOM 2289 N ARG 140 -0.491 -24.086 16.114 1.00 52.31 ATOM 2290 HN ARG 140 -0.823 -24.926 16.499 1.00 37.05 ATOM 2291 CA ARG 140 -1.449 -23.128 15.539 1.00 64.30 ATOM 2292 HA ARG 140 -1.101 -22.856 14.552 1.00 42.11 ATOM 2293 CB ARG 140 -2.853 -23.746 15.428 1.00 32.11 ATOM 2294 HB1 ARG 140 -3.510 -23.026 14.958 1.00 37.05 ATOM 2295 HB2 ARG 140 -3.220 -23.949 16.425 1.00 61.22 ATOM 2296 CG ARG 140 -2.921 -25.045 14.630 1.00 31.01 ATOM 2297 HG1 ARG 140 -2.398 -25.819 15.174 1.00 37.05 ATOM 2298 HG2 ARG 140 -2.443 -24.895 13.671 1.00 12.04 ATOM 2299 CD ARG 140 -4.367 -25.488 14.399 1.00 63.23 ATOM 2300 HD1 ARG 140 -4.359 -26.458 13.921 1.00 37.05 ATOM 2301 HD2 ARG 140 -4.848 -24.774 13.746 1.00 53.51 ATOM 2302 NE ARG 140 -5.131 -25.583 15.647 1.00 54.31 ATOM 2303 HE ARG 140 -4.966 -26.357 16.223 1.00 55.21 ATOM 2304 CZ ARG 140 -6.022 -24.704 16.032 1.00 35.43 ATOM 2305 NH1 ARG 140 -6.287 -23.666 15.304 1.00 31.24 ATOM 2306 HH11 ARG 140 -5.813 -23.527 14.437 1.00 34.23 ATOM 2307 HH12 ARG 140 -6.966 -23.005 15.614 1.00 2.15 ATOM 2308 NH2 ARG 140 -6.645 -24.860 17.152 1.00 53.13 ATOM 2309 HH21 ARG 140 -6.449 -25.653 17.729 1.00 31.22 ATOM 2310 HH22 ARG 140 -7.318 -24.185 17.442 1.00 22.34 ATOM 2311 C ARG 140 -1.527 -21.864 16.407 1.00 63.02 ATOM 2312 O ARG 140 -1.733 -20.756 15.910 1.00 60.43 ATOM 2313 N ARG 141 -1.369 -22.057 17.714 1.00 32.30 ATOM 2314 HN ARG 141 -1.231 -22.972 18.038 1.00 37.05 ATOM 2315 CA ARG 141 -1.397 -20.964 18.687 1.00 44.04 ATOM 2316 HA ARG 141 -2.339 -20.445 18.572 1.00 51.53 ATOM 2317 CB ARG 141 -1.325 -21.548 20.106 1.00 52.11 ATOM 2318 HB1 ARG 141 -0.413 -22.123 20.197 1.00 37.05 ATOM 2319 HB2 ARG 141 -2.168 -22.209 20.251 1.00 52.40 ATOM 2320 CG ARG 141 -1.344 -20.507 21.220 1.00 0.52 ATOM 2321 HG1 ARG 141 -2.220 -19.883 21.105 1.00 37.05 ATOM 2322 HG2 ARG 141 -0.455 -19.897 21.144 1.00 2.44 ATOM 2323 CD ARG 141 -1.378 -21.163 22.598 1.00 12.15 ATOM 2324 HD1 ARG 141 -0.525 -21.822 22.691 1.00 37.05 ATOM 2325 HD2 ARG 141 -2.288 -21.740 22.687 1.00 4.42 ATOM 2326 NE ARG 141 -1.333 -20.178 23.674 1.00 15.13 ATOM 2327 HE ARG 141 -0.823 -19.358 23.518 1.00 74.03 ATOM 2328 CZ ARG 141 -1.918 -20.323 24.829 1.00 63.12 ATOM 2329 NH1 ARG 141 -2.610 -21.383 25.103 1.00 23.40 ATOM 2330 HH11 ARG 141 -2.704 -22.112 24.426 1.00 52.12 ATOM 2331 HH12 ARG 141 -3.047 -21.470 25.995 1.00 4.24 ATOM 2332 NH2 ARG 141 -1.807 -19.395 25.718 1.00 12.13 ATOM 2333 HH21 ARG 141 -1.273 -18.574 25.518 1.00 23.41 ATOM 2334 HH22 ARG 141 -2.260 -19.497 26.601 1.00 42.15 ATOM 2335 C ARG 141 -0.252 -19.963 18.449 1.00 11.12 ATOM 2336 O ARG 141 -0.436 -18.749 18.583 1.00 51.01 ATOM 2337 N GLU 142 0.931 -20.475 18.098 1.00 12.04 ATOM 2338 HN GLU 142 1.037 -21.450 18.057 1.00 37.05 ATOM 2339 CA GLU 142 2.077 -19.613 17.774 1.00 64.33 ATOM 2340 HA GLU 142 2.178 -18.897 18.580 1.00 64.41 ATOM 2341 CB GLU 142 3.374 -20.429 17.682 1.00 43.33 ATOM 2342 HB1 GLU 142 4.168 -19.782 17.332 1.00 37.05 ATOM 2343 HB2 GLU 142 3.236 -21.230 16.970 1.00 23.34 ATOM 2344 CG GLU 142 3.809 -21.039 19.010 1.00 50.22 ATOM 2345 HG1 GLU 142 3.095 -21.801 19.293 1.00 37.05 ATOM 2346 HG2 GLU 142 3.820 -20.263 19.763 1.00 3.14 ATOM 2347 CD GLU 142 5.192 -21.666 18.938 1.00 31.14 ATOM 2348 OE1 GLU 142 5.298 -22.859 18.591 1.00 34.43 ATOM 2349 OE2 GLU 142 6.187 -20.964 19.229 1.00 72.32 ATOM 2350 C GLU 142 1.844 -18.839 16.466 1.00 33.54 ATOM 2351 O GLU 142 1.544 -19.422 15.420 1.00 65.23 ATOM 2352 N GLY 143 1.999 -17.520 16.534 1.00 32.13 ATOM 2353 HN GLY 143 2.340 -17.125 17.366 1.00 37.05 ATOM 2354 CA GLY 143 1.694 -16.655 15.399 1.00 4.12 ATOM 2355 HA1 GLY 143 1.435 -17.265 14.545 1.00 37.05 ATOM 2356 HA2 GLY 143 2.572 -16.073 15.159 1.00 3.24 ATOM 2357 C GLY 143 0.539 -15.707 15.694 1.00 63.31 ATOM 2358 O GLY 143 0.409 -14.651 15.070 1.00 14.02 ATOM 2359 N ARG 144 -0.304 -16.090 16.653 1.00 41.34 ATOM 2360 HN ARG 144 -0.162 -16.958 17.088 1.00 37.05 ATOM 2361 CA ARG 144 -1.435 -15.259 17.077 1.00 35.22 ATOM 2362 HA ARG 144 -1.712 -14.620 16.248 1.00 21.54 ATOM 2363 CB ARG 144 -2.634 -16.146 17.451 1.00 51.01 ATOM 2364 HB1 ARG 144 -3.497 -15.514 17.612 1.00 37.05 ATOM 2365 HB2 ARG 144 -2.408 -16.668 18.371 1.00 34.11 ATOM 2366 CG ARG 144 -2.990 -17.183 16.390 1.00 41.42 ATOM 2367 HG1 ARG 144 -2.196 -17.914 16.338 1.00 37.05 ATOM 2368 HG2 ARG 144 -3.085 -16.689 15.434 1.00 52.11 ATOM 2369 CD ARG 144 -4.301 -17.901 16.702 1.00 12.53 ATOM 2370 HD1 ARG 144 -4.472 -18.651 15.940 1.00 37.05 ATOM 2371 HD2 ARG 144 -5.104 -17.180 16.676 1.00 21.24 ATOM 2372 NE ARG 144 -4.296 -18.550 18.016 1.00 73.54 ATOM 2373 HE ARG 144 -3.931 -18.046 18.769 1.00 22.32 ATOM 2374 CZ ARG 144 -4.784 -19.742 18.244 1.00 31.33 ATOM 2375 NH1 ARG 144 -5.245 -20.461 17.271 1.00 4.14 ATOM 2376 HH11 ARG 144 -5.225 -20.112 16.335 1.00 4.13 ATOM 2377 HH12 ARG 144 -5.633 -21.362 17.460 1.00 72.05 ATOM 2378 NH2 ARG 144 -4.804 -20.221 19.445 1.00 52.35 ATOM 2379 HH21 ARG 144 -4.452 -19.681 20.207 1.00 25.11 ATOM 2380 HH22 ARG 144 -5.169 -21.138 19.606 1.00 73.52 ATOM 2381 C ARG 144 -1.045 -14.380 18.276 1.00 14.34 ATOM 2382 O ARG 144 -0.054 -14.650 18.962 1.00 61.24 ATOM 2383 N ARG 145 -1.822 -13.327 18.522 1.00 14.41 ATOM 2384 HN ARG 145 -2.564 -13.133 17.914 1.00 37.05 ATOM 2385 HA ARG 145 -0.559 -12.108 19.606 1.00 41.13 ATOM 2386 CB ARG 145 -2.494 -11.198 19.589 1.00 13.21 ATOM 2387 HB1 ARG 145 -2.103 -10.539 18.826 1.00 37.05 ATOM 2388 HB2 ARG 145 -2.465 -10.682 20.539 1.00 34.45 ATOM 2389 CG ARG 145 -3.954 -11.498 19.255 1.00 41.33 ATOM 2390 HG1 ARG 145 -4.379 -12.102 20.045 1.00 37.05 ATOM 2391 HG2 ARG 145 -3.996 -12.043 18.322 1.00 21.25 ATOM 2392 CD ARG 145 -4.771 -10.217 19.115 1.00 25.11 ATOM 2393 HD1 ARG 145 -4.826 -9.732 20.081 1.00 37.05 ATOM 2394 HD2 ARG 145 -5.767 -10.471 18.784 1.00 71.12 ATOM 2395 NE ARG 145 -4.173 -9.290 18.153 1.00 50.41 ATOM 2396 HE ARG 145 -3.235 -9.436 17.910 1.00 54.21 ATOM 2397 CZ ARG 145 -4.795 -8.276 17.619 1.00 72.24 ATOM 2398 NH1 ARG 145 -6.044 -8.045 17.881 1.00 31.42 ATOM 2399 HH11 ARG 145 -6.545 -8.647 18.501 1.00 5.24 ATOM 2400 HH12 ARG 145 -6.503 -7.265 17.462 1.00 52.20 ATOM 2401 NH2 ARG 145 -4.157 -7.488 16.818 1.00 14.40 ATOM 2402 HH21 ARG 145 -3.194 -7.660 16.617 1.00 22.53 ATOM 2403 HH22 ARG 145 -4.626 -6.709 16.407 1.00 22.34 ATOM 2404 CA ARG 145 -1.587 -12.440 19.672 1.00 14.35 ATOM 2405 C ARG 145 -1.768 -13.170 21.023 1.00 51.03 ATOM 2406 OT1 ARG 145 -2.916 -13.500 21.390 1.00 37.05 ATOM 2407 OT2 ARG 145 -0.751 -13.404 21.717 1.00 37.05 ATOM 2408 OH2 TIP3 1 -1.718 -52.778 -7.173 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -1.679 -52.134 -6.453 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.676 -52.981 -7.262 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -2.588 -49.934 -12.565 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -1.798 -50.485 -12.490 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.128 -50.380 -13.268 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -3.140 -51.223 -18.635 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -3.419 -50.654 -19.380 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -2.193 -51.421 -18.827 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 0.442 -52.715 -15.265 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 0.839 -53.376 -15.866 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 0.425 -51.888 -15.794 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -3.550 -52.993 -16.533 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -3.450 -52.385 -17.295 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -3.090 -53.789 -16.803 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -0.484 -51.666 -19.023 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -0.195 -51.387 -18.133 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 0.338 -51.662 -19.552 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -4.262 -49.483 -16.781 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -3.490 -48.895 -16.727 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -3.991 -50.172 -17.420 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -5.165 -47.321 -11.309 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -4.549 -47.035 -12.016 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -4.662 -48.014 -10.829 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -9.743 -52.942 -1.951 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -10.538 -53.374 -2.269 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -9.276 -52.666 -2.772 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -6.650 -54.223 1.470 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -7.318 -53.611 1.090 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -5.795 -53.762 1.323 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -3.490 -55.187 -0.629 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -2.819 -54.707 -1.155 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -3.300 -56.128 -0.799 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.578 -57.256 3.356 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.454 -57.888 4.095 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -11.483 -57.401 3.068 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.225 -60.490 7.917 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -7.098 -59.564 7.638 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -6.470 -60.662 8.512 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -4.369 -60.923 4.717 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -4.926 -61.316 4.010 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -4.578 -61.469 5.513 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -8.592 -52.109 -4.275 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.514 -51.144 -4.421 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -7.874 -52.484 -4.800 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -2.213 -51.460 0.049 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -2.782 -50.941 -0.559 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -2.029 -50.846 0.783 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -5.968 -58.687 4.425 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -5.283 -59.382 4.544 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -6.697 -59.149 3.961 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -8.329 -52.348 0.293 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -8.854 -52.645 -0.486 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -8.780 -51.530 0.587 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -9.394 -52.925 8.110 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -9.901 -52.544 8.870 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -9.104 -52.143 7.603 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -6.859 -51.430 -6.703 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -7.262 -50.755 -6.122 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -6.323 -50.904 -7.342 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -12.180 -47.953 8.626 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -11.682 -48.566 8.027 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -12.822 -47.510 8.032 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -3.404 -49.162 -5.963 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -3.222 -48.246 -6.227 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -2.530 -49.522 -5.727 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -8.043 -49.500 -5.012 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -8.680 -48.855 -5.342 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -7.472 -48.985 -4.406 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -5.187 -49.771 -8.009 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -4.627 -49.727 -8.818 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -4.555 -49.614 -7.274 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -4.508 -53.147 -7.242 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -5.062 -52.458 -6.849 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -5.150 -53.793 -7.590 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -2.157 -59.367 5.233 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -2.866 -60.026 5.046 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -2.171 -58.774 4.445 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -5.372 -62.273 6.845 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -6.256 -61.886 6.978 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -4.905 -62.082 7.678 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -9.657 -58.856 5.392 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -9.602 -59.684 5.887 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -9.460 -58.163 6.066 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -8.187 -59.642 3.118 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -8.153 -58.914 2.461 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -8.819 -59.325 3.796 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -8.832 -54.703 6.087 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -8.917 -55.555 6.558 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -9.054 -54.033 6.766 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -4.883 -50.080 -3.804 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -4.182 -50.647 -3.407 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -4.499 -49.798 -4.659 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -4.144 -53.237 1.100 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -3.482 -52.580 0.824 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -3.983 -54.002 0.499 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -10.499 -48.856 4.202 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -9.667 -48.664 3.733 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -10.879 -49.621 3.715 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -8.249 -55.957 3.781 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -8.373 -55.374 4.567 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -9.156 -56.290 3.589 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -3.582 -49.249 -10.129 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -3.383 -49.601 -11.024 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -2.701 -49.230 -9.683 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -2.649 -51.503 -3.150 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -2.309 -52.317 -2.725 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -1.979 -51.287 -3.823 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -7.219 -54.029 -7.568 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -8.124 -54.323 -7.447 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -7.231 -53.090 -7.291 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -6.454 -61.772 3.139 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -6.929 -62.602 3.243 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -7.160 -61.106 2.998 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -4.548 -58.057 1.356 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -5.338 -58.545 1.088 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -3.994 -58.025 0.539 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -13.693 -49.206 10.501 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -13.334 -48.813 11.324 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -13.069 -48.904 9.804 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -12.117 -55.596 9.791 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -11.144 -55.505 9.722 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -12.319 -56.370 9.262 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -9.037 -57.099 7.406 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -9.151 -56.627 8.262 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -8.099 -57.405 7.424 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -7.580 -57.403 1.576 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -7.920 -56.785 2.259 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -7.514 -56.860 0.780 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -6.516 -57.977 6.985 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -5.647 -57.687 7.342 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -6.323 -58.211 6.051 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -1.481 -53.537 -1.634 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -0.537 -53.784 -1.640 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -1.551 -52.864 -0.922 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 0.879 -57.683 -3.003 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 1.429 -58.336 -3.488 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 0.905 -56.894 -3.561 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -2.427 -59.537 7.960 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -2.263 -59.534 6.992 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -1.582 -59.868 8.345 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -2.681 -57.858 -0.577 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.006 -57.411 -0.015 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -2.165 -58.523 -1.083 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -2.301 -57.934 2.958 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -1.665 -57.493 2.353 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -3.103 -58.056 2.412 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -10.837 -49.429 6.851 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -10.115 -50.079 6.926 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -10.820 -49.164 5.908 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -14.004 -50.019 1.781 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -14.173 -49.108 2.112 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -14.796 -50.239 1.285 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -11.569 -50.804 2.605 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -12.460 -50.541 2.259 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -11.685 -51.722 2.877 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -6.623 -47.583 -8.936 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -6.291 -48.461 -8.655 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.306 -47.490 -9.860 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -2.889 -47.678 -1.936 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -3.441 -47.401 -2.687 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -3.328 -48.490 -1.600 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -1.934 -54.534 16.379 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -1.389 -55.279 16.669 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -1.393 -53.741 16.596 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -7.206 -48.143 18.945 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -6.913 -47.832 18.064 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -6.818 -49.036 19.022 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -5.061 -54.609 13.653 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -5.163 -54.311 14.580 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -4.145 -54.350 13.423 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -8.929 -49.108 21.805 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -9.702 -49.408 21.321 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -8.288 -49.844 21.713 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -3.810 -49.720 14.210 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -3.310 -48.882 14.215 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -3.209 -50.360 14.651 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -4.635 -53.583 16.198 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -4.510 -52.877 16.859 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -3.805 -54.098 16.244 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -6.057 -50.713 18.845 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -5.119 -50.911 18.634 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -6.546 -51.003 18.037 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -6.935 -51.541 16.449 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -6.529 -52.319 16.045 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -6.934 -50.870 15.736 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -9.115 -48.940 12.573 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -9.505 -48.305 13.213 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -9.771 -49.656 12.524 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -6.545 -49.652 14.443 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -6.991 -49.526 13.592 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -5.590 -49.734 14.209 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -3.998 -57.218 7.749 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -3.308 -56.583 7.446 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -3.494 -58.031 7.967 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -8.301 -54.559 12.006 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -9.137 -54.170 12.358 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -7.606 -54.097 12.492 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -6.064 -56.256 11.700 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -5.643 -55.751 12.433 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -6.987 -55.936 11.696 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -4.851 -58.690 10.917 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -4.044 -58.537 11.416 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -5.424 -57.930 11.147 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -10.689 -51.950 10.239 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -10.715 -51.271 10.933 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -11.384 -52.585 10.506 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -12.668 -53.478 11.409 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -12.690 -54.303 10.869 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -13.505 -53.012 11.173 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -10.489 -53.259 13.047 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -11.302 -53.518 12.560 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -10.621 -52.320 13.241 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -14.665 -51.739 10.815 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -14.284 -50.849 10.665 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -15.580 -51.663 10.477 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -2.043 -48.861 17.096 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -2.107 -49.642 16.509 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -1.768 -49.235 17.955 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -9.348 -55.309 9.476 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -9.275 -54.463 8.980 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -8.913 -55.120 10.336 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -2.150 -55.325 7.011 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -2.638 -54.549 7.364 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -1.236 -54.997 6.892 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -12.415 -47.947 12.568 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -11.767 -47.599 13.218 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -12.816 -47.138 12.174 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 1.542 -52.655 18.699 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 2.105 -51.981 18.275 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 0.734 -52.668 18.150 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -2.623 -50.160 23.378 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -3.610 -50.221 23.424 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -2.436 -50.113 22.432 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -5.320 -55.272 9.205 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -4.976 -56.060 8.739 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -5.571 -55.607 10.089 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 0.518 -53.960 11.803 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -0.427 -53.758 11.845 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 0.719 -53.979 10.844 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -3.589 -51.583 17.865 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -3.146 -51.506 16.986 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -2.875 -51.399 18.504 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -5.291 -50.107 23.077 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -6.044 -50.437 22.552 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -5.438 -49.138 23.127 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -3.733 -53.368 8.141 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -4.132 -52.519 8.345 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -4.330 -54.025 8.572 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -4.668 -60.696 9.049 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -3.843 -60.356 8.644 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -4.818 -60.100 9.815 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -7.182 -51.152 21.288 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -7.230 -52.112 21.266 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -6.754 -50.913 20.431 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -2.571 -47.218 14.624 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -3.233 -46.806 15.208 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -1.944 -47.631 15.234 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -11.564 -50.569 12.530 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -12.374 -51.098 12.442 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -11.888 -49.641 12.569 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -7.765 -41.924 -21.097 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -8.296 -41.096 -21.175 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -8.090 -42.487 -21.835 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.992 -36.919 -18.891 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -5.451 -36.757 -18.044 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -5.640 -37.388 -19.423 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -10.738 -37.271 -14.623 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -10.262 -36.771 -13.928 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -11.175 -37.986 -14.141 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -1.208 -47.736 -19.982 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -0.651 -48.241 -20.618 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -0.696 -46.915 -19.825 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -4.716 -46.801 -21.408 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -4.600 -47.765 -21.282 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -5.693 -46.681 -21.486 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -12.890 -42.257 -18.923 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -13.050 -43.020 -19.527 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -13.675 -42.256 -18.326 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -6.976 -36.826 -16.712 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -7.786 -36.312 -16.839 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -7.269 -37.760 -16.829 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -8.705 -41.464 -18.494 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -8.387 -41.750 -19.373 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -9.348 -42.151 -18.237 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -6.864 -48.344 -16.721 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -6.184 -49.042 -16.669 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -6.348 -47.525 -16.860 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -1.414 -48.433 -17.268 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -1.302 -47.481 -17.060 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -1.376 -48.466 -18.242 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -8.257 -39.136 -17.239 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -8.444 -39.913 -17.816 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -9.057 -38.568 -17.334 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -2.336 -35.943 -19.329 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -1.657 -36.643 -19.464 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -3.167 -36.440 -19.167 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -8.343 -43.472 -23.297 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -8.917 -43.296 -24.048 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -7.437 -43.484 -23.684 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -5.098 -42.579 -21.501 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -6.037 -42.394 -21.259 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -4.587 -42.054 -20.875 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -12.026 -40.008 -20.245 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -12.243 -40.868 -19.820 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -12.717 -39.416 -19.939 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -5.651 -36.292 -14.309 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -6.329 -36.386 -13.613 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -6.136 -36.450 -15.145 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -6.813 -36.426 -11.740 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -6.161 -37.106 -11.456 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -6.870 -35.817 -10.972 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -8.965 -45.107 -16.459 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -8.568 -45.412 -17.294 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -9.501 -44.336 -16.717 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -14.900 -42.379 -17.095 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -15.798 -42.225 -16.794 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -14.412 -42.629 -16.277 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -7.340 -46.012 -21.482 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -7.756 -46.115 -20.609 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -7.835 -45.290 -21.899 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -8.485 -44.406 -10.282 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -9.373 -44.366 -10.663 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -7.992 -45.006 -10.889 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -12.970 -44.512 -20.437 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -12.097 -44.893 -20.188 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -13.364 -45.174 -21.008 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -3.346 -46.119 -19.156 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -3.944 -46.183 -19.932 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -2.621 -46.736 -19.368 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -1.376 -32.253 -9.261 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -1.223 -33.115 -8.854 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -0.615 -32.134 -9.863 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -10.717 -43.243 -17.595 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -11.469 -42.837 -18.090 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -10.936 -43.078 -16.655 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -13.649 -43.071 -14.785 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -12.684 -42.883 -14.792 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -13.751 -43.752 -14.117 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -11.180 -38.483 -11.878 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -11.698 -38.210 -11.094 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -10.598 -37.716 -12.058 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -5.742 -43.368 -24.067 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -5.075 -44.071 -24.096 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -5.510 -42.855 -23.270 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -10.912 -42.963 -14.782 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -10.526 -43.608 -14.151 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -10.155 -42.363 -15.002 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -9.479 -36.356 -12.336 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -8.499 -36.420 -12.320 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -9.708 -36.034 -11.441 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -12.188 -35.814 -18.118 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -12.365 -35.423 -18.974 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -12.858 -35.440 -17.540 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -5.509 -46.052 -17.405 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -4.726 -46.012 -17.993 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -5.132 -45.945 -16.499 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -9.419 -39.725 -21.079 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -10.347 -39.968 -20.860 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -9.334 -38.823 -20.763 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -9.758 -44.858 -13.115 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -9.938 -45.583 -13.731 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -8.865 -45.059 -12.773 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -3.107 -32.549 -12.822 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -2.967 -32.301 -13.762 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -3.299 -33.515 -12.855 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -4.898 -38.126 -10.841 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -3.998 -38.492 -10.900 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -5.315 -38.630 -10.115 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -12.271 -37.633 -9.454 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -13.209 -37.567 -9.245 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -11.917 -38.266 -8.784 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -9.418 -40.419 -11.193 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -10.108 -39.814 -11.551 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -9.567 -41.245 -11.658 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -10.113 -37.174 -17.259 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -10.862 -36.685 -17.675 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -10.354 -37.206 -16.305 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -6.998 -42.339 -9.100 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -7.643 -42.921 -9.551 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -6.184 -42.888 -9.037 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -8.256 -46.979 -14.657 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -8.472 -46.251 -15.284 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -7.845 -47.664 -15.222 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -7.431 -46.058 -12.218 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -7.641 -46.505 -13.073 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -6.600 -46.491 -11.923 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -4.199 -45.918 -15.003 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -3.768 -46.476 -14.326 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -3.946 -45.005 -14.757 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -0.370 -37.942 -19.767 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -0.049 -38.573 -20.449 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -0.581 -38.520 -18.994 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -0.748 -39.702 -17.774 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 0.012 -40.198 -17.403 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -1.406 -39.705 -17.049 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -3.637 -44.793 -22.835 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -4.001 -45.575 -22.357 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -3.943 -44.032 -22.308 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -2.902 -47.200 -12.836 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -2.789 -48.177 -12.827 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -2.121 -46.866 -12.355 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -2.836 -33.982 -21.139 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -2.545 -34.665 -20.485 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -3.758 -34.203 -21.313 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -7.161 -34.679 -9.573 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.131 -34.730 -9.543 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -6.973 -33.739 -9.807 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -3.926 -51.118 -14.575 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -4.233 -50.457 -15.226 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -3.795 -51.931 -15.109 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -3.703 -35.212 -12.781 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -4.337 -35.445 -13.501 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -4.099 -35.595 -11.988 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -0.556 -31.645 -13.071 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -1.416 -31.947 -12.718 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -0.711 -31.578 -14.032 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -10.563 -45.336 -19.457 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -10.588 -44.637 -18.775 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -9.764 -45.844 -19.247 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -3.427 -49.262 -20.653 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -2.653 -48.717 -20.414 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -3.132 -49.761 -21.450 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -7.954 -46.475 -18.689 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -7.995 -47.357 -18.273 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -7.063 -46.140 -18.440 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -1.041 -32.701 -22.791 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -0.581 -33.409 -23.252 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -1.686 -33.168 -22.216 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -7.491 -40.738 4.191 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -6.569 -40.403 4.238 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -7.717 -40.938 5.123 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -2.372 -38.241 -0.007 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -1.457 -38.592 0.048 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -2.832 -38.867 -0.599 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -7.108 -34.173 0.132 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -7.276 -34.159 1.083 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -7.062 -33.218 -0.118 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -14.556 -45.235 1.050 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -14.215 -45.462 0.179 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -14.797 -44.283 0.970 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -5.739 -36.419 -5.323 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -5.801 -37.350 -5.624 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -6.086 -36.435 -4.426 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -13.065 -38.556 1.606 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -13.686 -37.831 1.507 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -12.759 -38.484 2.538 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -9.516 -49.922 1.005 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -9.308 -49.115 1.517 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -10.299 -50.299 1.463 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -6.456 -32.061 -10.143 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -6.839 -31.261 -10.511 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -5.489 -31.898 -10.168 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -6.095 -39.763 -8.899 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -5.160 -40.012 -8.698 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -6.536 -40.626 -9.078 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -5.935 -42.149 -6.534 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -5.198 -42.540 -7.042 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -6.639 -42.030 -7.198 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -12.665 -41.212 0.970 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -11.780 -41.374 0.566 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -12.729 -40.231 1.032 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -5.595 -35.099 2.707 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -5.424 -34.786 3.623 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -6.346 -35.729 2.811 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -7.529 -32.615 -5.136 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -8.471 -32.801 -5.208 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -7.112 -33.227 -5.784 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -4.518 -46.079 -3.880 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -3.699 -45.537 -3.885 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -5.137 -45.576 -4.444 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -6.188 -34.224 -6.921 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -5.952 -35.055 -6.447 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -6.438 -34.524 -7.820 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -5.986 -31.594 -3.058 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -5.161 -31.990 -3.367 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -6.659 -31.917 -3.698 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -14.499 -47.455 2.637 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -14.631 -46.674 2.049 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -14.890 -47.178 3.491 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -14.923 -42.608 0.452 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -15.472 -41.913 0.080 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -14.064 -42.159 0.643 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -10.123 -42.051 0.272 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.599 -42.287 1.061 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -9.904 -42.754 -0.377 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -7.767 -45.342 -3.167 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -7.394 -45.008 -4.005 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -7.485 -46.270 -3.135 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -8.901 -42.581 2.728 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -8.935 -43.220 3.469 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -8.275 -41.892 3.039 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -13.302 -44.435 4.152 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -13.373 -43.871 3.370 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -12.664 -45.135 3.885 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -8.684 -38.734 -9.173 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -8.930 -39.321 -9.926 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -7.732 -38.907 -9.042 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -7.830 -45.446 -7.797 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -7.537 -46.302 -8.178 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -8.187 -44.957 -8.563 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -12.268 -38.221 4.203 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -12.328 -38.873 4.924 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -11.352 -37.910 4.243 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -10.977 -39.297 -7.749 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -10.787 -40.009 -7.132 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -10.112 -39.111 -8.176 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -11.550 -40.420 5.907 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -11.993 -41.267 6.150 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -11.277 -40.559 4.975 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -5.299 -34.777 5.427 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -5.567 -35.483 6.056 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -5.179 -34.001 5.983 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -2.853 -41.118 2.187 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -3.030 -41.902 1.631 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -3.308 -41.308 3.014 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -9.432 -38.855 3.676 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -10.184 -39.401 3.363 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -8.700 -39.501 3.781 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -6.023 -39.111 -6.105 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -6.076 -38.997 -7.073 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -5.949 -40.073 -5.987 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -3.069 -34.171 9.355 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -3.607 -33.535 9.861 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -2.534 -34.615 10.031 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -2.585 -30.547 -5.106 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -1.956 -30.383 -5.842 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -3.310 -31.067 -5.521 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -6.452 -44.744 -5.557 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.086 -44.979 -6.281 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -6.275 -43.790 -5.699 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -9.459 -44.305 -1.251 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -9.843 -45.172 -1.092 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -8.815 -44.459 -1.974 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -6.465 -47.957 -3.225 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -5.974 -48.814 -3.217 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -5.769 -47.291 -3.416 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -6.113 -36.636 7.320 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -6.657 -37.271 6.806 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -6.714 -36.347 8.051 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -3.519 -40.318 -8.365 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -3.270 -40.502 -7.432 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -2.692 -40.044 -8.780 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -7.439 -36.962 3.375 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -7.288 -37.166 4.312 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -8.241 -37.471 3.151 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -9.834 -36.216 -9.611 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -9.301 -37.007 -9.383 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -10.757 -36.501 -9.465 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -4.980 -40.010 5.051 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -4.643 -40.933 4.997 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -4.932 -39.795 5.989 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -12.527 -42.879 6.362 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -12.844 -43.456 5.640 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -12.598 -43.433 7.161 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.880 -38.276 5.998 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.701 -38.272 5.476 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -7.883 -39.148 6.440 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -14.136 -46.497 7.332 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -14.806 -46.834 7.970 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -14.611 -46.475 6.475 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -15.380 -46.051 4.868 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -14.693 -45.378 4.655 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -16.212 -45.569 4.803 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -11.090 -40.987 3.245 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -10.395 -41.633 3.001 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -11.785 -41.121 2.570 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -12.609 -44.564 8.595 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -11.808 -45.052 8.891 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -13.144 -45.243 8.124 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -9.360 -47.332 2.024 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -9.189 -47.172 1.072 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -10.131 -46.770 2.226 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -11.879 -46.649 3.242 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -12.711 -47.042 2.909 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -11.447 -47.381 3.729 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -4.676 -43.686 -8.580 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -3.851 -43.620 -9.074 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -4.672 -44.606 -8.227 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -6.601 -36.344 -1.438 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -6.878 -35.500 -1.005 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -7.301 -36.965 -1.210 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -5.057 -27.169 6.409 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -5.827 -27.056 7.017 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -5.171 -28.053 6.049 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -6.863 -31.548 -0.467 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -6.492 -31.548 -1.377 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -7.276 -30.687 -0.382 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -1.254 -35.166 1.227 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -0.533 -34.598 1.563 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -1.593 -34.678 0.444 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -8.919 -47.726 -0.677 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -8.274 -47.840 -1.387 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -9.151 -48.638 -0.413 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -4.801 -46.156 -7.417 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -5.316 -45.907 -6.633 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -5.416 -46.703 -7.945 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -15.568 -47.516 9.446 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -14.995 -48.240 9.781 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -15.592 -46.881 10.173 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.282 -39.921 14.540 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -7.162 -40.218 14.261 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.306 -38.954 14.402 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -13.161 -41.300 14.566 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -14.071 -41.398 14.867 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.621 -41.440 15.383 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -7.982 -35.854 20.962 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -8.162 -36.645 21.510 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -7.519 -35.238 21.571 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -0.287 -47.548 20.323 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -0.106 -47.314 19.391 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 0.239 -48.359 20.468 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -6.729 -37.272 13.765 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -7.099 -36.537 14.294 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -5.965 -36.874 13.303 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -11.935 -36.937 23.663 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -11.265 -37.655 23.658 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -12.667 -37.302 24.166 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -4.726 -41.942 12.970 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -4.636 -41.359 13.741 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -5.579 -41.661 12.562 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -11.327 -34.704 22.172 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -11.660 -35.522 22.602 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -10.845 -34.243 22.880 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -3.855 -46.835 17.083 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -3.253 -47.603 17.210 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -4.033 -46.517 18.003 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -7.600 -38.933 11.380 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -8.583 -38.937 11.379 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -7.364 -38.430 12.183 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -7.861 -40.937 6.964 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -8.153 -41.832 7.178 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -7.283 -40.680 7.728 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.215 -36.548 18.403 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -7.429 -36.322 19.332 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -6.268 -36.770 18.422 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -9.193 -34.831 25.913 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -9.360 -34.282 25.114 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -9.945 -34.645 26.486 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -6.415 -40.043 9.070 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -6.825 -39.621 9.854 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -5.448 -39.950 9.228 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -9.966 -33.039 23.973 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.649 -32.361 24.017 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -9.250 -32.622 23.440 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -9.223 -31.631 14.825 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -8.925 -30.839 14.318 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -8.402 -31.977 15.233 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -4.277 -32.910 11.552 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -5.178 -33.216 11.310 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -4.138 -33.266 12.432 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -3.797 -44.287 23.474 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -3.760 -44.936 24.212 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -2.857 -44.074 23.298 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -3.321 -45.914 25.655 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -2.682 -46.619 25.409 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -2.986 -45.575 26.505 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -3.737 -39.559 9.466 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -2.795 -39.798 9.483 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -3.738 -38.602 9.250 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -7.231 -41.642 12.082 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -8.022 -42.186 11.857 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -7.456 -40.746 11.763 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.108 -41.405 24.393 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.076 -40.992 25.291 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -8.718 -42.292 24.532 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -9.329 -41.941 15.496 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -9.278 -41.148 14.910 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -8.557 -41.860 16.069 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -10.622 -46.056 9.752 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -9.808 -46.186 9.220 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -11.158 -46.860 9.566 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -9.316 -43.344 11.707 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -10.118 -43.175 11.173 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -9.659 -43.743 12.532 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -12.842 -43.337 12.598 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -13.010 -42.563 13.169 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -12.413 -42.957 11.800 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -7.544 -46.785 21.352 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -7.383 -47.015 20.411 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -8.096 -47.529 21.684 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -11.594 -42.562 10.276 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -12.035 -43.149 9.628 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -11.284 -41.803 9.737 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -11.715 -41.674 16.842 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -10.850 -41.834 16.415 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -11.500 -41.614 17.796 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.622 -41.294 19.438 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -10.077 -41.664 20.165 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -10.775 -40.382 19.702 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -10.298 -39.246 11.425 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -10.690 -39.617 10.615 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -11.071 -39.082 12.014 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -8.882 -35.021 12.585 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -9.824 -35.179 12.794 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -8.445 -35.011 13.462 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -8.910 -40.247 26.819 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -9.187 -39.311 26.903 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -8.648 -40.500 27.715 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -10.311 -37.332 15.091 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -10.662 -36.589 14.560 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -10.022 -36.910 15.926 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -12.059 -38.973 13.481 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -11.629 -38.531 14.236 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -12.482 -39.766 13.873 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -10.004 -34.359 19.797 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -9.256 -34.895 20.132 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -10.684 -34.435 20.506 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -11.435 -35.256 13.607 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -11.560 -34.327 13.908 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -12.301 -35.515 13.274 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -6.554 -34.397 11.284 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -7.412 -34.518 11.750 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -5.997 -35.136 11.612 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -4.757 -36.341 12.058 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -4.808 -37.050 11.397 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -3.828 -36.048 12.018 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -5.254 -44.124 21.166 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -6.185 -44.084 21.468 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -4.738 -44.219 21.995 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -7.751 -34.957 15.076 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -7.403 -34.110 15.415 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -8.388 -35.244 15.768 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -10.270 -44.249 14.145 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -11.217 -44.042 14.106 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.894 -43.551 14.724 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -9.065 -41.872 21.681 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -9.318 -41.707 22.613 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -8.617 -42.748 21.709 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -8.344 -46.481 11.488 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -8.587 -47.368 11.828 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.182 -46.122 11.140 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.117 -39.668 14.025 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -9.364 -38.833 14.480 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -9.536 -39.593 13.147 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -13.498 -45.745 11.334 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -13.424 -44.949 11.903 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -13.115 -45.467 10.491 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -6.050 -45.808 25.116 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -5.952 -46.473 24.407 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -5.190 -45.830 25.578 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -3.841 -36.867 8.881 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -3.546 -35.936 8.924 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -4.616 -36.842 8.279 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -9.495 -37.599 26.316 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -9.729 -37.956 25.436 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -9.288 -36.661 26.146 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -7.763 -35.925 9.333 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -8.362 -36.324 9.972 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -7.319 -35.214 9.834 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -10.746 -40.440 8.662 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -11.193 -40.374 7.792 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -9.826 -40.220 8.470 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -6.480 -39.056 27.898 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -5.694 -38.503 27.702 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -6.919 -39.155 27.042 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -9.987 -38.826 23.851 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -9.250 -38.568 23.256 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -9.836 -39.781 24.014 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -7.725 -43.712 25.100 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -7.176 -44.533 25.160 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -7.989 -43.535 26.035 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -7.761 -44.194 22.269 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -7.835 -44.265 23.239 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -7.838 -45.125 21.952 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -5.333 -47.348 22.890 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -4.475 -47.121 22.481 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -6.001 -47.047 22.236 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -4.376 -37.295 27.672 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -4.705 -36.673 28.350 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -3.506 -37.596 28.020 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -0.666 -44.214 25.635 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 0.293 -44.397 25.729 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -0.823 -44.235 24.669 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -2.608 -47.098 21.931 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -1.827 -47.272 21.364 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -2.278 -47.231 22.837 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -6.371 -34.058 22.373 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -6.193 -33.439 23.114 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -5.489 -34.402 22.134 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -5.828 -32.086 24.231 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -5.310 -32.728 24.768 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -5.753 -31.240 24.733 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -1.576 -47.886 24.692 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -0.731 -48.204 25.064 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.025 -48.702 24.390 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -9.697 -31.634 19.287 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -9.477 -31.411 20.198 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -9.865 -32.600 19.312 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -9.398 -35.603 17.157 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -8.625 -36.041 17.588 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -9.836 -35.127 17.886 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -9.138 -47.587 16.546 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -9.190 -47.787 17.488 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -8.175 -47.505 16.373 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -6.415 -47.648 16.387 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -6.345 -48.368 15.724 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -5.491 -47.339 16.506 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -17.013 -50.942 9.614 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -17.836 -51.274 9.248 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -16.965 -50.030 9.307 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -10.309 -47.031 14.153 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -9.988 -47.270 15.057 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -10.184 -46.058 14.108 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -11.206 -29.104 10.554 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -11.787 -29.093 9.786 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -11.342 -30.000 10.945 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -4.502 -34.029 25.584 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -4.266 -34.956 25.334 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -3.670 -33.669 25.972 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -8.189 -43.249 27.750 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -7.490 -42.657 28.116 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -8.618 -43.613 28.527 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -6.357 -41.608 28.873 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -6.375 -40.647 28.681 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -5.424 -41.866 28.710 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -0.862 -35.310 28.025 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -1.232 -34.728 27.332 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 0.079 -35.419 27.770 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -5.957 -31.824 30.719 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -5.438 -32.657 30.774 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -5.972 -31.495 31.622 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -5.527 -42.223 23.931 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -6.339 -42.643 24.277 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -4.909 -42.974 23.794 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -4.414 -34.121 30.630 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -5.044 -34.716 30.164 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -3.624 -34.687 30.790 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 1.272 -38.611 29.187 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 0.806 -39.443 28.985 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 2.172 -38.741 28.813 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -2.411 -32.733 29.363 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -1.671 -33.273 29.679 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -3.198 -33.138 29.787 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -2.150 -33.158 26.657 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -2.279 -32.931 27.601 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -1.621 -32.406 26.300 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -6.807 -33.929 27.088 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -6.044 -34.026 26.475 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -7.573 -34.260 26.574 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -6.015 -31.382 28.068 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -6.340 -32.235 27.714 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -6.164 -31.456 29.040 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -3.824 -36.582 25.137 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -4.057 -36.874 26.047 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -3.401 -37.363 24.738 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -6.106 -35.638 29.133 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -6.434 -35.018 28.443 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -6.779 -36.331 29.169 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -2.873 -38.986 24.147 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -3.508 -39.516 24.688 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -2.044 -38.996 24.681 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -0.311 -37.499 31.066 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 0.295 -37.867 30.382 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 0.015 -37.867 31.891 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -1.842 -38.166 28.287 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -1.275 -37.437 28.590 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -1.538 -38.940 28.809 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -4.376 -40.533 25.736 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -4.235 -40.982 26.593 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -4.878 -41.185 25.203 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -3.747 -41.999 28.126 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -3.014 -41.452 28.438 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -3.333 -42.869 27.941 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -2.147 -44.317 27.859 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -1.608 -44.301 27.035 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -1.519 -44.061 28.553 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 2.472 -26.674 -13.911 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 2.301 -26.232 -14.758 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 1.659 -27.190 -13.737 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -1.892 -29.401 -16.743 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -1.867 -28.456 -16.506 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -2.682 -29.479 -17.325 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -3.026 -16.631 -13.679 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -3.874 -17.080 -13.892 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -2.576 -16.544 -14.550 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -0.469 -21.698 -17.334 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -0.378 -20.737 -17.499 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 0.360 -22.083 -17.690 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -3.302 -22.833 -15.074 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -3.051 -23.215 -15.942 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -2.492 -22.361 -14.779 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 0.014 -25.399 -12.474 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -0.705 -25.281 -11.840 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 0.027 -26.362 -12.644 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -3.283 -25.675 -14.506 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -4.192 -25.976 -14.428 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -3.352 -24.703 -14.515 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.033 -14.283 -9.978 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -3.129 -13.401 -9.555 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -3.879 -14.424 -10.418 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -0.947 -21.545 -14.555 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -0.813 -21.368 -15.509 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -0.232 -22.183 -14.331 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -0.925 -18.306 -12.997 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -0.817 -19.067 -13.584 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.733 -17.864 -13.321 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 0.502 -28.166 -12.748 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -0.097 -28.383 -11.998 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 1.127 -28.917 -12.775 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -5.173 -20.910 -14.226 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -5.962 -21.444 -14.367 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -4.434 -21.498 -14.497 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -0.710 -28.488 -10.340 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -0.106 -29.054 -9.813 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -1.608 -28.697 -9.986 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -0.422 -13.647 -15.668 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -0.031 -14.407 -15.196 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -0.989 -14.052 -16.338 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 0.560 -15.554 -13.885 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -0.043 -15.828 -13.162 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 1.145 -14.880 -13.463 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -5.126 -19.442 -11.808 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -5.148 -20.147 -12.480 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -5.282 -18.630 -12.315 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 0.054 -18.884 -17.145 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 0.821 -19.398 -16.825 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 0.454 -18.211 -17.743 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -1.213 -16.756 -15.727 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -0.437 -16.551 -15.176 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -0.915 -17.496 -16.295 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -1.427 -21.152 -11.806 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -1.246 -22.031 -11.423 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -1.289 -21.274 -12.766 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -1.615 -26.500 -16.544 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -1.824 -25.648 -16.973 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -2.060 -26.437 -15.672 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 0.970 -23.422 -14.070 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 0.627 -24.102 -13.441 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 1.441 -23.946 -14.750 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 0.942 -31.948 -10.921 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 0.387 -31.762 -11.722 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 1.151 -32.907 -10.999 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 2.505 -30.151 -12.314 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 2.699 -30.755 -13.039 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 2.005 -30.697 -11.677 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -2.062 -31.936 -15.396 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -1.997 -32.641 -16.080 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -2.025 -31.103 -15.908 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -3.816 -29.720 -18.609 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -3.695 -30.680 -18.667 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -3.345 -29.374 -19.391 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -3.769 -31.437 -10.424 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -3.638 -31.753 -11.350 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -2.992 -31.791 -9.940 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -1.368 -15.405 -11.888 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -2.041 -15.864 -12.443 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -1.889 -15.019 -11.150 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 1.946 -27.722 2.911 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 2.760 -27.771 3.453 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 2.277 -27.762 1.986 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -2.067 -13.288 -0.012 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -1.846 -12.337 -0.071 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -3.028 -13.307 0.003 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 0.608 -30.113 2.454 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 0.156 -30.340 3.271 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 1.043 -29.259 2.650 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -2.648 -20.520 5.533 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -2.727 -21.399 5.095 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -3.567 -20.198 5.570 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -0.087 -21.999 2.434 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -1.007 -22.055 2.089 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -0.197 -21.692 3.357 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -4.374 -20.148 1.655 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -4.667 -19.593 0.927 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -4.448 -19.571 2.439 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -0.872 -30.236 -7.344 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 0.049 -30.221 -7.671 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -1.325 -30.854 -7.950 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -4.584 -20.056 -6.540 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -4.893 -20.043 -5.626 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -5.355 -20.344 -7.048 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -3.608 -22.746 9.581 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -4.540 -22.565 9.758 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -3.584 -23.694 9.383 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -4.751 -24.490 5.963 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -4.726 -25.470 5.993 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -5.516 -24.258 6.503 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -2.230 -21.061 -7.683 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -2.934 -20.816 -7.057 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -2.525 -20.677 -8.534 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -7.057 -21.604 10.317 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -7.933 -22.013 10.157 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -7.265 -20.775 10.809 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -2.182 -13.953 9.018 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -2.195 -14.932 8.926 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -2.503 -13.798 9.931 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -2.491 -22.073 1.095 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -2.861 -22.931 1.356 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -3.195 -21.423 1.329 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 0.535 -27.387 -7.246 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 0.134 -28.267 -7.343 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 0.500 -27.215 -6.279 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -1.488 -18.482 7.043 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -1.808 -19.131 6.385 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -0.978 -17.834 6.513 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -2.369 -15.417 -7.536 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -2.625 -15.077 -8.416 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -2.732 -16.329 -7.519 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -4.883 -18.440 3.835 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -5.186 -17.762 4.469 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -5.159 -19.291 4.246 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -3.214 -18.042 -7.926 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -3.678 -18.641 -7.310 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -3.176 -18.547 -8.763 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 0.196 -25.589 2.958 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 0.826 -24.916 3.231 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 0.716 -26.422 2.968 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 0.028 -15.003 0.455 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -0.810 -14.503 0.302 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 0.723 -14.416 0.082 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.538 -16.677 5.865 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -5.877 -15.762 5.870 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -4.590 -16.576 6.102 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -5.215 -18.115 -14.334 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -5.157 -19.091 -14.413 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -5.854 -17.860 -15.008 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -2.226 -20.348 9.435 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -2.644 -21.239 9.499 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -2.112 -20.207 8.480 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -5.915 -22.504 12.756 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -6.055 -22.010 11.926 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -6.442 -23.323 12.635 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -3.089 -19.880 -10.044 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -2.484 -20.300 -10.698 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -3.908 -19.702 -10.561 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -7.131 -18.575 7.018 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -6.472 -17.964 6.615 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -7.926 -18.443 6.489 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -7.585 -23.898 7.998 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -7.272 -23.039 7.651 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -8.300 -23.655 8.619 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -4.405 -25.954 9.103 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -3.988 -26.347 8.324 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -5.365 -26.009 8.910 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -6.951 -26.559 8.219 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -7.666 -27.051 8.692 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -7.317 -25.652 8.108 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 0.127 -15.340 3.220 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -0.802 -15.054 3.342 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 0.242 -15.356 2.251 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -3.540 -18.339 10.722 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -4.408 -18.334 10.246 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -3.090 -19.143 10.385 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 3.306 -19.738 -7.645 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 4.153 -19.276 -7.819 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 3.573 -20.616 -7.358 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 0.176 -26.799 -4.549 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -0.344 -25.998 -4.406 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -0.178 -27.433 -3.890 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -0.917 -17.651 0.686 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -0.608 -16.739 0.533 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -1.684 -17.542 1.293 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -2.867 -16.980 2.475 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -3.561 -17.452 2.974 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -2.874 -16.079 2.844 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 0.274 -22.074 -8.185 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -0.103 -22.594 -8.916 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -0.513 -21.712 -7.723 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -1.246 -23.403 -10.119 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -2.147 -23.252 -9.808 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -1.055 -24.337 -9.860 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -1.080 -25.796 -0.775 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -1.325 -25.157 -0.094 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -0.113 -25.697 -0.859 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -3.360 -22.876 4.320 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -3.000 -23.451 3.616 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -3.803 -23.503 4.939 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -0.684 -25.939 -9.389 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -0.373 -26.215 -8.506 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -0.792 -26.786 -9.875 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -2.322 -24.704 2.432 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -2.755 -25.563 2.466 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -1.373 -24.907 2.615 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -5.365 -20.809 5.091 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -4.971 -21.589 4.658 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -5.823 -21.175 5.874 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -4.821 -31.924 -5.928 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -5.713 -31.599 -5.730 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -4.977 -32.761 -6.406 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 1.255 -29.932 -9.050 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 1.300 -30.732 -9.614 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 2.198 -29.651 -8.955 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -3.377 -12.249 5.010 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -3.448 -11.454 5.590 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -3.076 -11.886 4.144 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -2.140 -33.777 -0.928 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -2.357 -32.921 -1.369 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -3.017 -34.176 -0.731 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -3.748 -29.209 -2.905 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -3.434 -29.517 -3.782 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -4.652 -29.554 -2.842 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -4.413 -35.136 -0.167 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -5.020 -34.628 0.403 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -5.006 -35.603 -0.783 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -3.173 -28.998 -9.351 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -3.658 -29.035 -8.523 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -3.501 -29.770 -9.857 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -1.666 -12.781 -6.909 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -1.767 -13.758 -6.914 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -2.446 -12.460 -7.409 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -4.579 -27.338 11.473 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -4.071 -28.111 11.216 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -4.498 -26.733 10.704 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -3.008 -15.729 6.423 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -2.866 -16.024 7.347 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -2.132 -15.847 6.001 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -7.590 -21.876 16.983 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -8.197 -22.188 17.681 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -8.055 -21.115 16.586 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -10.386 -22.657 17.375 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -10.945 -23.379 17.016 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -9.930 -23.063 18.131 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -7.866 -15.919 14.627 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -8.536 -15.757 13.936 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -8.277 -16.582 15.209 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -9.959 -21.858 14.641 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.231 -22.084 15.550 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -9.466 -21.019 14.743 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -8.246 -19.756 15.192 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -7.298 -19.891 14.985 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -8.262 -18.926 15.719 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -11.683 -32.616 14.314 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -12.137 -32.282 15.096 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -10.745 -32.327 14.440 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -4.907 -17.887 13.042 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -4.307 -18.097 12.289 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -5.709 -17.534 12.615 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -7.515 -24.707 12.687 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -7.979 -24.917 13.531 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -8.196 -24.264 12.151 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -8.537 -29.219 13.767 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -8.703 -28.584 14.493 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -8.010 -28.705 13.115 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -8.173 -17.557 16.882 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -8.376 -18.092 17.687 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -7.979 -16.674 17.230 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -5.695 -14.756 15.652 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -6.039 -14.707 16.564 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -6.420 -15.206 15.149 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -1.037 -16.293 22.085 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -0.864 -15.340 21.971 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -1.889 -16.435 21.620 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -8.887 -16.796 22.910 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -8.534 -16.947 23.803 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -8.966 -15.813 22.848 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -8.269 -12.472 12.644 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -7.721 -12.162 11.910 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -7.657 -12.469 13.416 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -5.450 -14.657 11.586 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -5.331 -13.691 11.576 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -4.795 -14.967 12.239 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -3.823 -15.379 13.674 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -4.033 -16.331 13.586 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -4.372 -15.082 14.430 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -8.032 -31.824 22.500 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -7.338 -31.527 23.117 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -7.635 -32.591 22.052 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -3.486 -23.868 24.010 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -3.885 -24.447 24.688 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -2.991 -24.492 23.429 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -5.612 -20.162 14.478 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -5.559 -20.903 13.840 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -5.286 -19.384 13.971 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -8.758 -27.873 9.794 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -8.263 -27.796 10.632 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -9.591 -28.313 10.048 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -9.280 -27.388 24.392 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -9.235 -27.974 25.152 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -8.484 -26.817 24.482 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -4.893 -19.360 22.089 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.568 -18.880 22.894 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -5.324 -20.147 22.446 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -11.087 -28.248 13.139 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -10.240 -28.692 13.331 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -11.226 -28.410 12.183 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -11.763 -24.571 15.990 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -12.481 -24.077 15.577 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -11.998 -25.516 15.831 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -3.239 -12.714 26.119 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -3.627 -11.907 25.729 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -2.526 -12.380 26.705 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -9.537 -27.607 15.813 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -10.497 -27.436 15.763 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -9.463 -28.370 16.436 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -8.375 -23.510 19.127 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -8.546 -24.487 19.164 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -8.481 -23.221 20.061 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -9.968 -23.441 12.401 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -10.082 -24.238 12.947 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -9.983 -22.703 13.056 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -10.032 -19.211 22.217 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -10.826 -19.016 21.705 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -9.663 -18.321 22.434 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -7.670 -19.476 11.924 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -8.088 -19.502 12.796 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -7.529 -18.524 11.754 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -10.330 -20.660 25.997 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -10.282 -21.102 25.119 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -11.264 -20.446 26.104 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -6.943 -17.723 21.167 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -6.226 -18.179 21.653 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -7.538 -17.385 21.873 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -5.651 -22.911 19.526 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -6.569 -23.199 19.381 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -5.194 -23.724 19.838 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -9.323 -25.140 14.663 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -9.228 -26.042 15.040 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -10.057 -24.747 15.172 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -8.462 -18.854 19.241 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -8.851 -19.608 19.692 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.902 -18.426 19.927 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -6.298 -13.707 21.359 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -5.652 -13.567 22.087 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -5.932 -14.462 20.858 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -2.424 -13.615 11.793 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -2.519 -14.346 12.428 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -3.174 -13.021 12.003 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -8.751 -26.075 19.646 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -7.808 -26.359 19.681 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -9.062 -26.159 20.572 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -7.154 -16.753 11.501 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -6.510 -16.012 11.371 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -7.970 -16.301 11.810 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -12.288 -27.140 15.257 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -11.896 -27.478 14.411 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -13.069 -27.688 15.388 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -8.563 -23.486 21.857 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -8.991 -24.370 21.945 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -7.629 -23.645 22.123 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -6.137 -27.907 17.094 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -7.033 -28.223 16.916 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -6.173 -27.592 18.023 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -9.241 -15.121 12.309 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -10.081 -15.004 11.852 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -8.901 -14.206 12.428 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -4.569 -18.247 24.511 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -5.334 -17.687 24.765 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -4.015 -18.262 25.309 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -2.314 -16.666 8.891 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -1.912 -17.399 8.371 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -2.766 -17.120 9.633 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -8.555 -21.895 27.690 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -9.068 -22.142 28.466 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -9.152 -21.302 27.186 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -5.913 -18.246 9.483 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.537 -17.740 10.034 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -6.387 -18.375 8.638 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -9.487 -22.845 9.776 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -9.723 -23.096 10.701 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -10.339 -22.712 9.345 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -8.412 -19.152 24.650 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -8.803 -19.468 23.821 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -8.959 -19.566 25.344 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -6.674 -21.298 7.543 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -6.830 -20.349 7.357 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -6.645 -21.346 8.521 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -9.797 -21.663 23.510 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -9.974 -20.904 22.917 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -9.424 -22.351 22.911 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.294 -25.565 24.504 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -7.840 -24.870 24.948 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -6.887 -25.096 23.744 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -9.767 -25.937 22.141 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -10.722 -26.034 22.064 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -9.530 -26.516 22.904 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -4.757 -26.210 25.116 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -5.707 -25.967 25.030 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -4.695 -27.070 24.680 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 1.016 -21.308 13.444 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 1.109 -21.887 14.234 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 0.741 -20.455 13.816 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -0.731 -31.079 25.649 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -0.199 -31.660 25.056 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -0.587 -30.182 25.292 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -2.909 -29.172 26.073 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -2.486 -29.968 26.435 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -2.250 -28.827 25.432 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -8.469 -15.275 26.690 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -9.017 -14.698 27.227 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -7.865 -14.666 26.219 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -7.496 -12.264 19.452 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -7.077 -12.746 20.205 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.848 -11.454 19.856 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -5.798 -15.825 19.664 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -6.428 -15.520 18.977 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -6.295 -16.520 20.155 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -9.411 -29.955 17.124 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -9.460 -30.635 16.432 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -9.536 -30.458 17.963 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -11.598 -31.554 11.732 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -11.830 -31.822 12.642 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -11.000 -32.245 11.428 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -7.243 -27.431 12.123 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -7.351 -26.472 12.280 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -6.287 -27.530 11.917 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -6.299 -11.527 7.075 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -7.114 -11.660 6.582 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -5.836 -12.386 7.005 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -5.551 -29.898 25.841 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -5.785 -30.299 26.707 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -4.639 -29.565 25.970 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -3.743 -15.463 25.799 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -3.089 -15.533 25.095 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -3.728 -14.516 26.047 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -8.643 -23.442 25.397 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -8.470 -22.962 26.231 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -9.029 -22.770 24.810 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -5.537 -23.449 30.582 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -4.707 -23.967 30.599 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -5.777 -23.359 31.506 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -3.585 -30.282 28.990 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -4.451 -30.596 28.660 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -3.103 -31.108 29.213 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -0.887 -11.914 27.331 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -0.340 -11.655 26.557 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -0.488 -11.444 28.070 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -5.979 -24.115 22.619 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -5.572 -24.629 21.872 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -5.211 -23.778 23.116 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.831 -21.863 28.326 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -6.774 -21.856 28.065 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -5.804 -22.446 29.115 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -1.532 -25.189 28.339 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -2.278 -25.658 27.901 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -1.603 -24.267 28.017 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -3.609 -20.538 27.637 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -4.438 -21.006 27.920 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -3.840 -19.585 27.706 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -3.100 -24.928 30.647 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -2.478 -25.022 29.895 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -3.429 -25.839 30.796 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -3.507 -17.788 27.201 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -3.834 -16.934 26.835 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -2.587 -17.584 27.487 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -6.893 -17.048 25.334 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -7.460 -16.559 25.970 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -7.338 -17.919 25.238 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -1.545 -22.654 30.837 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -1.229 -22.544 31.736 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -2.146 -23.426 30.886 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.628 -22.384 28.108 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.330 -21.705 28.043 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -1.447 -22.447 29.074 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -3.524 -26.830 27.436 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -4.067 -26.487 26.694 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -3.217 -27.706 27.117 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.529 -25.805 22.394 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -3.253 -25.639 21.744 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.249 -26.712 22.211 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -1.321 -28.703 29.099 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -1.731 -28.064 29.700 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -2.017 -29.375 28.959 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -0.032 -9.363 -9.571 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 0.260 -9.948 -8.840 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -0.533 -9.961 -10.172 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -1.420 -10.986 -11.298 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -1.962 -10.194 -11.530 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -1.570 -11.607 -12.052 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -2.655 -8.606 -11.641 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -2.565 -8.183 -10.764 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -3.068 -7.932 -12.188 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 1.712 -13.101 -0.544 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 1.602 -12.190 -0.194 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 1.502 -13.017 -1.498 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -1.426 -10.557 0.128 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -1.511 -9.681 -0.280 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -0.458 -10.698 0.188 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -2.308 -11.275 2.695 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -2.567 -10.410 3.082 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -1.973 -11.047 1.806 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -3.892 -12.070 -8.451 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -4.779 -12.238 -8.113 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -3.828 -11.085 -8.474 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -3.313 -9.195 4.198 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -3.182 -9.430 5.140 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -3.977 -8.499 4.219 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -7.607 -7.367 12.465 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -6.805 -7.818 12.808 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -7.318 -6.440 12.334 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -5.314 -9.376 8.485 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -5.810 -10.125 8.082 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -6.017 -8.791 8.851 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 1.175 -13.966 6.950 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 0.281 -13.622 6.736 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 1.501 -13.352 7.645 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -1.234 -12.746 6.707 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -1.962 -12.691 6.061 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -1.647 -13.159 7.500 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -4.068 -9.331 -8.179 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -4.814 -8.743 -8.027 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -3.347 -8.732 -8.474 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -5.098 -13.910 6.271 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -4.376 -14.514 6.538 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -4.652 -13.252 5.697 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 1.073 -12.802 -3.207 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 0.393 -12.281 -3.687 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 0.817 -13.737 -3.371 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -5.989 -6.214 15.183 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -5.789 -6.949 14.559 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -6.966 -6.117 15.137 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -7.461 -5.225 17.681 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -7.817 -4.387 18.069 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -7.991 -5.353 16.861 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -10.436 -10.110 18.882 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -11.353 -10.284 19.116 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -10.430 -10.127 17.901 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -8.498 -3.140 19.064 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -8.705 -2.213 19.217 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -8.893 -3.605 19.833 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -4.386 -10.693 24.539 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -5.223 -10.311 24.829 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -3.960 -9.974 24.023 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -7.457 -14.672 17.867 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -8.256 -14.510 17.312 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -7.421 -13.890 18.457 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -8.680 -5.817 15.282 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -8.887 -5.209 14.535 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -9.174 -6.636 15.064 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -8.901 -4.441 12.906 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -9.568 -4.223 12.247 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -8.073 -4.515 12.397 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -5.234 -7.145 21.279 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -4.558 -6.833 20.636 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -6.091 -6.935 20.847 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -4.624 -3.900 14.913 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -5.132 -3.367 14.271 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.116 -4.750 14.960 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -5.611 -6.290 23.860 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -5.622 -5.329 23.778 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -5.598 -6.610 22.932 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -6.326 -4.995 11.874 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -5.492 -5.444 11.610 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -6.035 -4.105 12.167 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -4.648 -12.141 12.500 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -5.216 -12.126 13.299 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -4.137 -11.304 12.555 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -8.481 -14.095 23.027 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -7.949 -14.059 23.847 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -7.848 -13.856 22.325 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -7.555 -6.875 25.722 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -7.024 -6.807 26.519 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -6.908 -6.777 24.992 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -9.564 -8.207 14.204 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -9.977 -9.009 13.831 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -8.966 -7.892 13.490 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -5.135 -8.031 13.371 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -4.693 -7.450 12.711 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -4.588 -8.843 13.374 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -7.692 -6.448 20.149 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -7.567 -6.023 19.274 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -8.321 -5.854 20.613 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -9.566 -13.547 16.661 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -9.038 -12.730 16.669 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -10.469 -13.249 16.808 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -7.965 -9.235 19.578 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -8.029 -8.353 19.993 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -8.902 -9.503 19.436 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -9.607 -4.611 21.109 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -9.651 -4.232 22.023 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -10.496 -4.950 20.955 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -7.053 -7.670 9.754 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -7.430 -7.728 10.653 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -6.996 -6.726 9.582 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -3.945 -6.469 11.445 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -3.693 -7.213 10.852 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -3.090 -6.047 11.672 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -4.706 -4.756 17.584 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -5.681 -4.829 17.606 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -4.524 -4.235 16.778 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -5.749 -2.450 12.836 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -5.000 -1.899 12.566 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -6.478 -1.824 12.946 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -10.069 -5.937 25.201 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -9.152 -6.245 25.377 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -10.623 -6.629 25.571 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -7.626 -11.373 16.897 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -7.562 -11.577 17.857 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -8.338 -10.707 16.839 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -10.088 -3.737 23.616 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -10.325 -3.029 24.221 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -10.109 -4.549 24.176 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -6.380 -12.272 14.654 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -6.066 -13.128 15.013 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -6.740 -11.800 15.442 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -4.575 -13.195 23.416 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -3.883 -13.272 22.708 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -4.436 -12.301 23.792 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -3.370 -6.010 19.564 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -2.932 -5.221 19.902 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -3.862 -5.687 18.770 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -1.441 -5.548 12.302 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -1.688 -4.643 12.608 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -1.261 -6.031 13.119 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -2.345 -3.226 13.511 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -3.074 -3.496 14.106 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -2.090 -2.338 13.837 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 0.261 -3.967 9.111 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -0.250 -3.433 9.731 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 0.350 -3.407 8.332 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -3.237 -8.810 10.169 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -2.510 -9.285 9.710 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -4.020 -8.963 9.591 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -3.274 -10.187 6.780 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -2.590 -10.289 7.478 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -4.071 -9.890 7.273 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -3.609 -8.436 23.147 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -4.173 -8.174 22.387 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -3.689 -7.693 23.764 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 0.267 -11.506 24.890 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -0.177 -12.359 24.694 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -0.267 -10.840 24.393 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -1.276 -9.961 23.300 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -2.061 -9.391 23.177 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -0.827 -9.937 22.442 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -1.413 -10.326 8.801 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -1.041 -11.090 9.289 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -0.639 -9.737 8.653 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -3.368 -16.082 20.750 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -3.207 -15.154 21.053 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -4.249 -16.040 20.324 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -10.414 -10.841 13.532 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -11.178 -11.119 13.015 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -9.678 -11.391 13.190 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -9.992 -10.121 16.174 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -10.217 -10.617 15.359 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -9.823 -9.212 15.854 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -6.525 -14.293 24.965 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -6.220 -15.208 25.130 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -5.763 -13.868 24.512 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 3.956 -52.724 -16.758 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 4.911 -52.920 -16.760 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 3.883 -51.910 -16.207 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 11.112 -48.675 -17.736 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 11.372 -47.990 -18.357 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 11.447 -48.354 -16.871 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 1.156 -52.950 -12.694 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 0.851 -52.785 -13.620 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 0.421 -53.463 -12.287 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 16.194 -53.226 -14.534 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 16.069 -52.267 -14.424 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 16.344 -53.334 -15.495 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 16.429 -56.395 -10.647 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 16.711 -55.601 -11.154 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 17.226 -56.647 -10.139 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 2.036 -51.378 -20.146 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 1.992 -51.088 -21.083 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 2.843 -51.908 -20.101 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 11.907 -53.293 -13.696 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 12.160 -52.387 -13.443 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 11.014 -53.404 -13.320 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 2.919 -54.708 -13.851 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 2.272 -54.153 -13.366 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 2.507 -54.845 -14.726 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 5.012 -53.019 -13.840 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 4.674 -52.177 -14.235 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 4.240 -53.625 -13.872 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 0.312 -53.125 -8.958 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -0.417 -53.014 -8.299 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 0.966 -53.692 -8.494 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 2.024 -54.591 -16.581 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 2.735 -53.911 -16.681 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 2.148 -55.174 -17.335 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 15.221 -52.113 -11.588 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 15.017 -51.230 -11.199 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 14.424 -52.645 -11.402 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -2.355 -50.480 -22.832 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -2.333 -51.323 -23.293 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -1.836 -49.876 -23.410 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -0.750 -54.246 -11.280 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -1.671 -54.460 -11.101 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -0.406 -53.922 -10.421 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 1.755 -56.035 -10.217 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 1.174 -55.983 -10.985 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 2.383 -56.762 -10.437 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 9.600 -53.248 -12.111 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 9.549 -54.214 -11.895 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 8.663 -52.983 -12.245 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 2.310 -50.466 -22.709 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 3.265 -50.544 -22.465 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 2.299 -50.598 -23.663 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 6.627 -52.936 -16.028 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 7.203 -52.238 -15.664 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 6.108 -53.239 -15.254 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 4.835 -50.775 -21.846 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 5.571 -51.197 -21.389 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 5.175 -49.874 -22.069 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 9.968 -49.978 -13.395 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 9.801 -49.029 -13.556 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 9.241 -50.430 -13.871 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 14.170 -54.748 -13.388 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 13.358 -54.306 -13.730 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 14.905 -54.279 -13.839 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 0.483 -51.060 -10.824 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 0.816 -51.545 -11.607 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 0.471 -51.739 -10.115 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 7.080 -52.184 -12.340 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 7.376 -51.495 -12.962 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 6.296 -52.583 -12.787 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 5.078 -55.901 -12.090 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 4.566 -55.395 -12.744 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 5.580 -55.224 -11.602 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 14.025 -57.007 -11.886 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 14.913 -57.042 -11.481 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 14.101 -56.298 -12.564 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 9.569 -55.773 -11.241 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 10.238 -56.487 -11.257 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 9.018 -55.979 -10.463 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 11.502 -57.775 -11.300 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 11.384 -58.341 -12.070 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 12.429 -57.443 -11.388 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 -1.765 -46.025 -24.453 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 -2.384 -45.617 -23.805 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 -2.001 -45.617 -25.292 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 -0.957 -48.790 -24.466 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 -0.038 -48.482 -24.456 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 -1.478 -47.968 -24.502 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 16.396 -52.348 -17.140 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 16.243 -51.600 -16.523 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 16.092 -52.020 -17.988 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 15.896 -50.407 -15.261 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 15.018 -50.113 -14.936 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 16.465 -49.623 -15.137 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 17.103 -54.033 -11.944 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 17.143 -54.044 -12.917 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 16.407 -53.366 -11.745 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 16.951 -49.845 -12.254 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 16.275 -49.619 -11.571 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 16.769 -50.772 -12.464 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 -1.062 -49.425 -9.192 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 -0.502 -49.951 -9.799 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 -0.541 -49.370 -8.371 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 8.552 -47.271 -16.619 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 8.717 -48.186 -16.932 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 8.788 -47.301 -15.669 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 12.361 -50.800 -12.543 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 11.489 -50.490 -12.890 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 13.016 -50.231 -13.005 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 13.734 -49.091 -14.177 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 13.056 -48.595 -14.684 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 14.194 -48.403 -13.655 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 2.552 -49.408 -18.259 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 3.475 -49.659 -18.025 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 2.308 -50.037 -18.972 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 6.949 -51.633 -18.475 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 6.220 -51.005 -18.284 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 6.892 -52.289 -17.754 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 1.362 -57.261 -0.316 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 1.204 -57.405 -1.273 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 2.086 -56.592 -0.290 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 1.367 -61.955 -4.225 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 0.395 -61.786 -4.180 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 1.437 -62.815 -4.652 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 1.429 -53.798 -1.576 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 1.511 -53.150 -0.869 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 2.088 -54.491 -1.340 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 13.048 -60.255 1.543 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 12.430 -61.021 1.617 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 12.549 -59.508 1.964 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 1.596 -60.775 -1.694 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 1.613 -61.336 -2.491 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 2.483 -60.378 -1.664 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 6.707 -59.545 -2.761 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 7.018 -58.641 -2.856 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 7.532 -60.079 -2.718 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 16.004 -62.570 0.093 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 15.774 -62.336 1.026 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 15.802 -63.510 0.033 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 6.074 -56.107 3.649 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 5.435 -56.209 2.911 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 6.610 -55.335 3.394 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 3.756 -58.621 0.463 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 2.783 -58.613 0.424 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 3.988 -57.713 0.778 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 -0.357 -48.282 -3.331 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 -1.088 -48.062 -2.731 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 -0.649 -49.085 -3.779 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 12.093 -60.401 -6.708 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 11.669 -61.248 -6.866 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 11.780 -59.832 -7.451 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 3.776 -56.655 -2.831 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 3.889 -57.579 -2.549 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 3.694 -56.155 -1.989 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 9.693 -55.628 -4.605 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 10.518 -56.083 -4.319 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 9.114 -56.343 -4.883 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 2.488 -59.417 -4.409 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 2.128 -60.326 -4.500 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 3.160 -59.496 -3.701 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 15.898 -53.781 -7.839 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 16.322 -52.980 -8.214 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 16.630 -54.238 -7.361 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 15.909 -58.741 5.639 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 15.624 -58.723 4.694 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 16.825 -59.028 5.602 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 11.560 -62.404 2.220 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 10.739 -62.277 2.732 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 12.226 -62.613 2.895 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 12.198 -56.285 -7.486 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 12.953 -56.061 -8.080 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 12.591 -56.895 -6.822 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 3.312 -57.766 3.556 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 2.477 -58.164 3.208 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 3.586 -57.129 2.851 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 4.065 -59.397 -2.119 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 4.089 -59.190 -1.155 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 5.005 -59.603 -2.345 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 11.304 -58.651 -8.671 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 11.486 -57.788 -8.255 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 11.327 -58.460 -9.631 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 11.906 -59.749 5.162 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 12.452 -59.208 5.770 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 11.924 -59.244 4.308 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 11.905 -60.420 -2.866 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 12.305 -60.517 -3.742 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 12.591 -60.771 -2.247 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 0.973 -58.910 2.994 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 0.738 -59.120 3.920 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 0.475 -59.547 2.472 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 -1.259 -61.361 -3.835 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 -1.157 -60.651 -3.167 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 -2.205 -61.528 -3.859 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 10.082 -61.762 4.491 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 10.604 -60.999 4.800 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 9.211 -61.374 4.246 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 9.167 -60.758 -2.615 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 10.114 -60.539 -2.747 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 9.182 -61.598 -2.148 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 5.511 -59.410 2.567 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 5.079 -59.351 1.694 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 4.965 -58.844 3.138 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 10.180 -54.529 -8.036 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 9.412 -55.031 -8.389 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 10.871 -55.214 -7.896 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 2.707 -56.735 -5.453 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 2.623 -57.705 -5.408 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 3.207 -56.504 -4.643 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 10.051 -53.196 -5.711 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 9.585 -53.909 -5.224 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 10.051 -53.508 -6.643 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 4.414 -61.891 3.538 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 5.017 -61.327 3.036 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 4.264 -61.400 4.362 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 11.042 -54.924 9.431 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 10.756 -54.840 8.492 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 11.451 -55.811 9.478 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 14.837 -55.386 -5.171 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 15.084 -56.150 -5.718 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 15.638 -55.216 -4.628 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 13.619 -52.473 -7.105 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 14.335 -53.103 -7.352 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 14.021 -51.606 -7.225 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 16.720 -51.278 -8.789 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 17.076 -50.641 -8.126 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 16.157 -50.722 -9.375 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 3.694 -53.631 -9.684 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 3.286 -54.038 -8.895 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 3.042 -53.769 -10.383 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 6.331 -54.060 -10.278 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 5.415 -53.864 -9.966 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 6.576 -53.277 -10.805 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 0.895 -52.518 -4.182 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 1.110 -52.919 -3.318 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 1.240 -53.147 -4.827 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 7.951 -60.232 3.694 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 8.345 -59.380 3.959 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 7.099 -59.984 3.280 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 10.247 -54.580 6.837 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 9.413 -54.931 6.441 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 10.959 -55.032 6.325 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 14.898 -62.053 2.519 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 14.523 -62.279 3.391 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 14.318 -61.342 2.190 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 12.228 -57.961 -1.578 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 12.080 -58.841 -1.981 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 12.202 -58.129 -0.629 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 2.147 -54.931 -7.733 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 1.990 -55.520 -8.505 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 2.336 -55.547 -6.994 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 11.265 -52.142 8.018 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 10.847 -52.864 7.505 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 11.118 -52.394 8.949 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 0.470 -54.395 6.594 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 0.936 -55.159 6.185 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 1.015 -53.625 6.351 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 3.664 -57.866 -10.905 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 4.205 -57.169 -11.351 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 4.185 -58.665 -11.003 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 1.594 -53.990 9.148 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 2.456 -53.802 8.713 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 1.005 -54.229 8.408 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 13.245 -53.936 -10.878 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 13.393 -54.340 -11.760 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 13.530 -54.634 -10.246 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 2.213 -60.155 7.373 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 3.010 -60.295 6.817 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 1.549 -59.790 6.742 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 7.965 -55.848 -8.967 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 7.329 -56.452 -8.566 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 7.403 -55.174 -9.422 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 1.948 -56.455 5.615 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 2.669 -56.208 6.247 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 2.414 -56.939 4.903 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 12.223 -56.007 5.605 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 12.611 -56.786 6.054 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 12.495 -56.116 4.665 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 14.333 -55.645 -9.033 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 14.973 -56.126 -9.602 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 14.892 -54.996 -8.547 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 4.053 -59.813 5.390 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 3.575 -59.270 4.739 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 4.723 -59.202 5.758 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 12.985 -62.265 4.634 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 12.231 -62.750 4.999 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 12.788 -61.329 4.847 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 7.030 -60.297 10.080 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 6.965 -59.532 9.459 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 6.274 -60.845 9.854 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 8.234 -55.909 5.511 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 8.695 -56.721 5.206 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 7.353 -55.975 5.111 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 9.520 -58.142 4.581 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 9.993 -58.571 5.308 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 10.160 -58.168 3.834 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 -0.823 -50.607 -5.104 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 -0.174 -51.261 -4.742 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 -0.319 -50.135 -5.804 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 16.141 -57.896 -5.765 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 16.857 -58.288 -6.305 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 16.601 -57.538 -4.993 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 17.156 -55.233 -3.707 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 17.925 -55.801 -3.920 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 17.549 -54.345 -3.561 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 13.379 -58.138 -5.857 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 13.040 -59.028 -6.108 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 14.358 -58.236 -5.880 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 12.145 -56.595 -3.968 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 12.242 -57.028 -3.088 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 12.640 -57.184 -4.580 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -0.859 -56.612 1.053 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -0.013 -56.945 0.669 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 -0.636 -55.706 1.366 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 13.525 -58.137 6.726 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 13.683 -58.309 7.676 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 14.400 -58.316 6.303 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 13.814 -61.055 -1.006 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 14.642 -61.530 -0.810 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 13.547 -60.677 -0.143 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 14.932 -58.621 3.142 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 14.501 -59.270 2.569 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 14.307 -57.851 3.145 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 -0.007 -60.454 8.957 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 0.820 -60.478 8.431 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 0.269 -60.708 9.842 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 -0.823 -59.474 -1.851 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -0.100 -60.036 -1.492 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 -0.349 -58.723 -2.272 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 11.443 -56.747 14.754 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 10.756 -57.235 14.249 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 12.017 -56.371 14.065 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 13.341 -53.512 15.753 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 12.748 -53.706 16.504 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 13.261 -52.559 15.628 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 4.641 -50.911 20.455 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 5.408 -51.521 20.505 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 5.030 -50.031 20.612 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 0.938 -58.164 17.222 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 1.644 -58.457 17.799 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 1.393 -57.922 16.389 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 5.690 -53.973 17.967 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 5.752 -54.336 17.053 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 5.533 -53.025 17.831 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 10.026 -54.777 15.922 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 10.582 -55.484 15.519 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 10.576 -54.431 16.647 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 6.851 -55.132 20.096 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 6.383 -54.764 19.302 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 6.339 -55.912 20.328 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 3.016 -52.775 21.476 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 2.416 -53.094 20.784 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 3.548 -52.081 21.029 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 2.223 -57.848 14.807 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 3.119 -57.906 14.461 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 1.886 -56.986 14.458 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 14.070 -51.751 19.680 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 13.146 -51.551 19.945 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 14.525 -50.879 19.725 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 12.632 -50.107 15.588 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 12.884 -49.825 16.495 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 12.801 -49.309 15.036 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 12.224 -55.575 12.355 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 11.289 -55.305 12.399 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 12.249 -56.223 11.618 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 11.461 -56.381 20.435 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 12.186 -55.718 20.362 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 11.707 -57.069 19.807 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 9.494 -57.524 13.041 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 9.326 -56.787 12.409 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 9.354 -58.337 12.505 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 6.532 -58.186 8.438 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 6.312 -58.042 7.494 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 6.096 -57.447 8.898 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 9.204 -59.841 11.637 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 8.449 -59.946 11.010 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 9.112 -60.583 12.240 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 6.149 -54.520 15.382 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 6.803 -53.859 15.073 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 6.584 -55.383 15.210 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 5.057 -52.560 23.342 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 4.742 -52.003 24.085 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 4.245 -52.731 22.811 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 9.276 -55.271 11.498 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 9.784 -55.110 10.676 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 8.502 -54.679 11.418 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 8.297 -52.896 14.887 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 8.920 -52.272 14.472 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 8.873 -53.619 15.220 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 -0.593 -51.477 24.662 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 -1.361 -51.057 24.218 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 -0.772 -52.419 24.604 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 1.552 -55.384 13.939 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 1.113 -54.900 13.207 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 1.712 -54.695 14.622 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 -2.437 -53.687 13.750 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 -2.486 -52.768 14.055 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 -2.174 -54.187 14.546 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 12.008 -49.527 8.700 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 11.135 -49.127 8.723 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 11.852 -50.418 8.320 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 10.431 -51.218 14.114 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 10.775 -50.758 14.895 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 11.230 -51.401 13.579 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 12.117 -57.381 10.237 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 11.479 -58.101 10.335 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 12.938 -57.828 9.927 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 2.728 -58.113 9.188 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 1.926 -57.614 9.003 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 2.668 -58.890 8.595 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 11.929 -53.755 22.715 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 11.427 -53.035 23.164 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 11.450 -54.572 22.972 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 4.730 -56.297 9.611 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 4.491 -55.975 8.708 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 4.114 -57.048 9.761 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 6.735 -52.543 21.099 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 6.862 -53.464 20.791 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 6.252 -52.637 21.946 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 0.438 -59.997 15.148 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 1.078 -59.359 14.792 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 0.202 -59.636 16.014 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 9.171 -51.502 11.691 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 9.462 -51.209 12.575 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 10.005 -51.700 11.219 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 8.850 -50.836 20.731 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 8.517 -50.047 21.166 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 8.122 -51.488 20.827 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 14.592 -54.767 13.571 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 13.787 -55.043 13.078 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 14.239 -54.389 14.408 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 11.675 -53.895 18.057 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 10.911 -54.196 18.596 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 12.424 -53.909 18.684 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 0.510 -58.878 5.697 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 -0.467 -58.956 5.642 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 0.673 -57.915 5.755 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 7.930 -56.557 15.112 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 8.616 -56.020 15.548 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 8.411 -57.028 14.403 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.431 -51.771 20.594 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 11.551 -52.232 21.444 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 10.522 -51.389 20.658 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 14.156 -51.913 9.182 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 13.186 -51.916 9.113 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 14.340 -51.318 9.932 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 10.278 -51.801 23.551 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 9.349 -52.029 23.751 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 10.339 -50.844 23.765 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 18.538 -48.876 7.256 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 19.092 -49.109 6.483 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 19.008 -48.117 7.663 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 17.095 -56.009 13.483 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 17.270 -56.070 14.426 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 16.207 -55.593 13.433 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 -1.115 -50.780 18.955 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 -0.284 -50.562 19.426 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 -0.824 -51.343 18.201 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 15.349 -49.322 19.720 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 16.288 -49.619 19.697 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 15.345 -48.587 20.372 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 0.826 -49.403 25.663 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 1.325 -49.796 26.414 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 0.338 -50.168 25.279 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 10.512 -56.071 22.966 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 10.458 -56.926 23.399 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 10.827 -56.278 22.061 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 11.624 -52.416 10.776 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 12.180 -52.180 11.548 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 11.707 -53.385 10.708 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 9.474 -54.592 19.494 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 9.985 -55.251 20.003 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 8.537 -54.795 19.715 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 7.356 -53.307 10.911 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 7.987 -52.668 11.323 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 7.094 -52.867 10.069 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 5.392 -57.478 6.016 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 4.832 -56.782 6.432 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 5.628 -57.104 5.144 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 17.785 -50.610 19.654 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 17.404 -51.462 19.340 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 18.525 -50.873 20.205 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 16.483 -52.932 19.033 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 16.329 -53.880 18.994 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 15.586 -52.547 19.126 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 18.419 -56.562 11.167 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 17.950 -56.416 12.025 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 19.346 -56.635 11.415 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 13.237 -54.274 20.366 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 12.867 -54.123 21.268 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 13.718 -53.444 20.168 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 16.646 -54.780 9.854 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 17.524 -54.898 10.261 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 16.347 -55.693 9.679 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 14.319 -58.697 9.328 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 15.170 -58.193 9.305 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 14.586 -59.595 9.555 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 2.007 -53.625 15.973 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 1.218 -53.091 16.190 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 2.384 -53.851 16.834 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 13.154 -47.812 14.156 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 13.478 -47.411 13.318 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 13.471 -47.195 14.848 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 1.345 -49.853 19.992 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 1.955 -50.339 20.568 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 1.798 -49.827 19.135 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 7.389 -50.284 25.793 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 7.530 -51.093 25.256 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 8.199 -50.228 26.351 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 13.027 -49.050 18.119 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 12.880 -48.074 18.142 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 13.862 -49.175 18.618 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 12.995 -51.331 12.947 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 13.161 -50.978 13.838 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 13.716 -50.951 12.402 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 12.582 -50.957 27.145 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 13.221 -50.239 27.158 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 13.031 -51.668 26.678 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 7.633 -52.586 24.303 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 6.713 -52.580 23.957 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 7.799 -53.511 24.516 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 9.942 -50.284 26.742 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 10.799 -50.617 27.077 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 10.168 -49.867 25.886 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 7.638 -40.861 -17.968 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 7.715 -39.998 -18.406 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 6.783 -41.224 -18.301 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 8.078 -38.816 -15.685 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 8.077 -39.778 -15.561 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 8.079 -38.703 -16.652 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 10.739 -38.182 -19.017 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 11.071 -38.708 -19.780 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 9.820 -38.474 -18.909 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 2.601 -40.872 -19.092 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 2.164 -41.575 -18.547 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 2.638 -40.103 -18.499 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 -1.134 -45.710 -17.440 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 -0.587 -44.948 -17.679 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 -1.988 -45.540 -17.881 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 3.797 -44.112 -18.106 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 2.973 -43.635 -17.813 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 3.560 -45.059 -18.037 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 9.468 -33.568 -20.942 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 10.194 -33.387 -21.545 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 9.835 -34.230 -20.316 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 6.382 -37.133 -14.308 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 6.913 -37.811 -14.778 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 5.697 -37.657 -13.827 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 13.682 -43.438 -16.052 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 14.662 -43.398 -16.129 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 13.514 -44.299 -15.628 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 6.035 -47.074 -17.582 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 6.997 -47.160 -17.411 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 5.693 -46.635 -16.777 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 4.472 -44.009 -20.750 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 4.096 -44.040 -19.843 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 4.902 -43.144 -20.795 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 5.202 -41.819 -18.808 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 4.891 -42.645 -18.384 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 4.376 -41.336 -19.018 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 16.378 -43.502 -15.678 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 16.546 -43.314 -14.735 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 16.972 -44.258 -15.879 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 11.477 -39.572 -21.255 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 12.305 -40.063 -21.279 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 11.078 -39.733 -22.116 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 11.519 -37.242 -16.438 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 11.543 -37.781 -17.252 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 10.729 -36.688 -16.546 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 11.827 -47.442 -15.341 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 10.959 -47.380 -14.898 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 12.308 -46.635 -15.044 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 5.150 -49.795 -17.537 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 5.487 -48.877 -17.517 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 4.965 -50.007 -16.591 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 12.146 -33.531 -17.870 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 11.767 -34.209 -18.466 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 12.675 -32.973 -18.449 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 10.648 -35.398 -19.248 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 9.980 -35.454 -18.534 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 10.914 -36.330 -19.391 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 14.070 -38.795 -11.261 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 14.335 -39.013 -10.342 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 13.440 -39.510 -11.498 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 11.119 -43.337 -14.165 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 10.525 -43.420 -14.930 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 11.785 -42.675 -14.452 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 12.055 -40.601 -10.961 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 11.732 -40.066 -10.212 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 11.272 -41.111 -11.248 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 7.821 -38.099 -18.471 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 6.878 -38.075 -18.161 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 7.814 -37.540 -19.287 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 6.794 -34.979 -15.912 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 6.014 -34.809 -16.456 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 6.516 -35.713 -15.316 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 7.527 -36.190 -20.363 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 6.550 -36.089 -20.346 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 7.842 -35.383 -20.791 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 2.672 -38.815 -17.072 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 2.102 -39.588 -16.824 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 2.949 -38.448 -16.220 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 12.978 -33.426 -11.533 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 12.596 -33.127 -12.391 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 13.800 -33.869 -11.784 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 4.773 -36.001 -19.906 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 4.692 -35.109 -19.501 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 3.852 -36.353 -19.896 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 7.716 -50.662 -14.778 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 6.890 -50.123 -14.676 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 8.084 -50.373 -15.648 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 10.766 -45.540 -12.577 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 11.525 -45.623 -11.959 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 11.032 -44.816 -13.188 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 5.239 -37.764 -17.828 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 5.019 -37.164 -18.570 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 4.403 -38.229 -17.643 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 0.843 -48.306 -21.713 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 0.840 -47.779 -22.543 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 1.326 -49.123 -21.953 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 4.535 -38.563 -12.984 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 4.109 -38.432 -12.114 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 3.898 -39.125 -13.480 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 5.323 -46.609 -20.260 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 5.201 -45.653 -20.441 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 5.722 -46.638 -19.363 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 0.727 -40.128 -21.066 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 0.407 -40.983 -21.365 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 1.483 -40.346 -20.482 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 9.323 -47.343 -13.978 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 9.805 -46.664 -13.449 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 8.455 -47.432 -13.513 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 11.575 -28.253 -14.209 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 11.971 -27.553 -13.648 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 10.619 -28.208 -14.003 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 8.110 -44.645 -15.785 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 8.475 -45.426 -16.243 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 7.236 -44.939 -15.483 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 2.312 -44.867 -22.360 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 3.144 -44.506 -21.999 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 1.768 -45.044 -21.570 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 5.824 -46.352 -14.909 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 5.768 -47.330 -14.794 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 5.777 -46.009 -14.008 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 10.265 -40.192 -14.275 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 11.185 -40.366 -14.580 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 9.720 -40.824 -14.796 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 16.027 -37.777 -12.806 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 16.717 -37.588 -12.139 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 15.280 -38.131 -12.279 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 8.750 -41.955 -15.743 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 8.439 -42.888 -15.707 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 8.431 -41.633 -16.618 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 4.400 -33.632 -18.626 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 3.544 -33.694 -18.189 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 4.339 -32.809 -19.160 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 9.005 -35.961 -17.111 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 8.213 -35.538 -16.698 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 8.639 -36.746 -17.569 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 5.516 -29.506 -21.372 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 6.257 -29.100 -20.899 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 5.945 -30.044 -22.072 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 7.062 -47.612 -12.528 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 6.454 -47.517 -11.762 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 6.589 -48.232 -13.132 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 8.988 -44.232 -10.934 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 9.534 -44.768 -11.546 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 9.095 -43.316 -11.259 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 10.419 -33.777 -15.812 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 11.073 -33.593 -16.527 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 9.744 -34.319 -16.246 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 3.069 -46.767 -18.646 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 3.828 -46.870 -19.257 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 2.826 -47.690 -18.409 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 2.323 -37.050 -19.218 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 2.358 -37.624 -18.429 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 1.414 -37.166 -19.555 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 2.763 -40.170 -14.289 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 3.147 -41.037 -14.130 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 2.046 -40.343 -14.943 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 -2.157 -31.904 -19.475 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 -2.372 -32.546 -20.180 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 -1.983 -31.069 -19.953 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 12.207 -32.722 -14.044 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 11.460 -32.979 -14.635 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 12.976 -33.193 -14.415 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 14.775 -34.055 -14.174 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 14.315 -34.929 -14.191 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 15.406 -34.110 -14.903 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 10.135 -36.244 -8.357 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 9.256 -36.131 -8.773 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 10.650 -35.468 -8.676 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 12.697 -41.135 -15.021 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 13.478 -40.596 -14.759 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 13.082 -41.858 -15.570 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 13.438 -36.422 -14.550 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 13.974 -37.211 -14.385 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 12.802 -36.705 -15.247 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 16.168 -42.180 -10.491 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 16.247 -42.437 -11.436 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 15.327 -42.589 -10.200 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 13.729 -43.489 -12.330 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 13.347 -42.658 -12.006 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 13.427 -44.162 -11.680 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 9.958 -41.918 -12.169 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 9.816 -41.126 -12.726 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 10.370 -42.563 -12.782 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 0.984 -46.011 -20.177 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 1.659 -46.097 -19.470 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 1.079 -46.837 -20.696 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 13.514 -30.265 -19.963 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 14.045 -30.514 -20.722 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 13.980 -29.479 -19.594 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 0.467 -50.410 -16.736 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 -0.238 -49.726 -16.714 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 1.235 -49.952 -17.141 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 12.967 -30.258 -13.043 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 12.484 -29.553 -13.531 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 12.697 -31.086 -13.495 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 8.758 -49.959 -17.187 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 8.326 -50.508 -17.877 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 9.651 -49.769 -17.553 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 0.899 -46.695 -23.904 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 0.049 -46.245 -24.088 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 1.474 -45.985 -23.539 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 5.671 -48.258 -22.382 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 5.530 -47.706 -21.577 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 5.842 -47.619 -23.078 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 -1.882 -33.778 -17.485 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 -1.968 -34.604 -17.995 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 -1.903 -33.074 -18.165 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 11.283 -34.098 -9.510 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 11.299 -33.315 -8.911 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 11.881 -33.848 -10.248 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 16.160 -32.400 -12.389 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 15.671 -32.925 -13.054 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 16.748 -33.036 -11.972 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 11.589 -38.527 -9.018 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 12.078 -37.833 -9.513 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 10.864 -38.037 -8.586 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 14.326 -34.698 -8.884 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 14.222 -34.922 -7.933 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 13.950 -33.811 -8.960 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 14.224 -39.254 -8.596 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 13.258 -39.163 -8.473 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 14.611 -38.601 -7.973 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 18.048 -44.686 7.895 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 18.583 -45.501 7.953 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 17.521 -44.803 7.098 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 17.946 -43.003 20.591 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 17.022 -42.714 20.432 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 18.324 -43.092 19.696 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 12.740 -42.488 21.358 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 12.743 -41.579 21.724 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 12.250 -43.011 22.023 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 12.675 -43.825 18.947 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 12.352 -43.162 18.309 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 12.655 -43.361 19.807 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 15.232 -47.105 21.432 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 15.250 -46.626 22.293 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 15.240 -46.402 20.775 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 13.008 -39.899 22.334 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 13.958 -39.984 22.557 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 12.982 -39.198 21.656 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 7.307 -40.676 21.849 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 7.787 -40.801 21.001 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 6.439 -41.094 21.696 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 15.108 -50.426 11.332 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 15.815 -50.011 10.787 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 15.487 -51.306 11.586 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 15.986 -35.529 21.946 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 16.203 -36.350 22.430 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 15.017 -35.606 21.769 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 11.086 -43.399 23.638 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 10.202 -43.785 23.810 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 10.989 -42.451 23.890 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 8.783 -44.886 24.446 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 9.260 -45.727 24.404 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 7.849 -45.153 24.571 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 6.674 -37.409 23.643 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 6.811 -38.337 23.913 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 7.562 -37.122 23.316 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 13.379 -35.998 21.473 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 12.546 -35.711 21.904 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 13.117 -36.769 20.938 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 12.032 -47.563 22.960 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 12.287 -46.633 22.937 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 12.690 -48.002 22.406 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 0.679 -32.688 23.925 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 1.354 -33.266 24.350 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 0.486 -33.128 23.088 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 6.768 -32.571 25.293 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 6.869 -33.258 24.595 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 7.221 -32.960 26.071 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 10.303 -32.361 25.035 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 10.217 -33.328 25.130 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 10.553 -32.053 25.934 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 1.837 -39.167 25.834 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 2.578 -38.638 26.168 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 1.927 -39.114 24.856 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 7.200 -34.591 23.515 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 8.096 -34.931 23.315 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 6.667 -35.397 23.629 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 5.326 -44.060 27.844 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 6.209 -44.440 27.857 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 4.761 -44.777 27.485 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 9.712 -38.470 24.765 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 8.851 -38.942 24.758 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 9.582 -37.726 24.125 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 2.436 -44.102 23.150 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 1.705 -44.418 22.563 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 3.222 -44.588 22.824 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 2.998 -41.548 24.049 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 2.751 -42.339 23.528 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 2.510 -40.807 23.607 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 6.104 -45.601 24.990 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 5.782 -44.764 24.591 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 5.365 -45.888 25.564 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 7.898 -47.785 24.625 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 7.182 -47.130 24.736 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 7.555 -48.594 25.060 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 0.792 -45.170 21.297 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 0.608 -44.453 20.653 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 0.265 -45.925 20.973 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 4.683 -50.752 25.487 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 5.622 -50.541 25.695 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 4.271 -49.878 25.335 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 3.821 -46.010 26.544 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 3.560 -46.896 26.214 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 3.047 -45.439 26.339 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 12.789 -34.121 24.637 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 12.437 -34.497 25.452 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 12.230 -34.515 23.931 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 16.568 -36.560 25.380 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 16.463 -37.046 24.538 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 17.289 -37.012 25.825 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 13.220 -44.287 25.102 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 12.490 -44.002 24.511 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 12.959 -43.966 25.969 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 11.240 -40.737 24.236 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 10.648 -39.973 24.372 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 11.906 -40.410 23.592 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 14.140 -46.305 12.091 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 14.989 -45.885 11.927 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 13.984 -46.857 11.291 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 -4.036 -46.090 19.691 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 -3.541 -46.483 20.433 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 -4.526 -45.346 20.097 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 8.416 -30.429 24.705 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 7.672 -31.059 24.785 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 9.212 -31.004 24.737 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 13.555 -32.538 27.696 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 14.226 -32.845 27.057 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 13.336 -33.342 28.208 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 15.177 -45.293 23.483 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 15.741 -44.511 23.322 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 14.508 -44.977 24.129 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 12.835 -46.343 17.961 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 13.307 -46.083 17.146 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 12.736 -45.497 18.457 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 10.612 -46.699 14.144 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 11.413 -47.253 14.088 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 10.932 -45.801 13.963 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 13.932 -48.154 10.116 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 14.182 -48.922 10.662 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 13.257 -48.512 9.497 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 2.527 -50.761 27.335 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 3.297 -50.934 26.759 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 2.771 -51.149 28.179 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 3.269 -48.331 25.061 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 3.260 -48.089 24.128 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 2.350 -48.642 25.239 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 10.250 -49.149 24.263 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 9.435 -48.603 24.300 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 10.905 -48.571 23.808 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 -2.030 -35.447 30.478 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 -1.667 -35.409 29.566 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 -1.525 -36.175 30.901 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 5.336 -43.079 24.132 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 4.577 -42.593 24.505 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 5.370 -42.779 23.202 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 16.914 -31.686 25.770 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 16.542 -31.327 26.611 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 16.552 -32.590 25.718 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 11.047 -31.375 27.446 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 11.093 -30.396 27.488 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 11.975 -31.665 27.577 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 7.719 -42.459 25.375 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 6.825 -42.733 25.089 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 8.274 -43.238 25.192 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 2.018 -44.080 25.836 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 2.121 -43.179 26.215 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 2.283 -43.980 24.894 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 -0.751 -40.630 29.069 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 -0.914 -40.945 28.148 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 -0.415 -41.420 29.529 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 1.963 -41.641 27.152 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 1.831 -40.806 26.651 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 2.872 -41.557 27.518 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -0.864 -39.078 25.853 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.114 -38.993 25.923 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -1.202 -38.628 26.659 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 13.599 -35.198 28.486 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 13.955 -35.556 29.306 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 12.778 -35.727 28.330 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 19.069 -31.017 24.186 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 19.679 -30.543 24.756 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 18.373 -31.343 24.797 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 7.448 -39.950 24.398 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 7.471 -40.231 23.447 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 7.653 -40.779 24.896 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 3.779 -33.662 28.107 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 3.856 -32.912 27.470 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 4.148 -33.309 28.924 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 3.775 -38.793 28.106 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 4.470 -38.455 27.524 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 4.047 -39.719 28.288 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 5.596 -35.405 26.855 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 4.900 -34.849 27.251 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 5.179 -35.771 26.047 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 -1.232 -41.664 26.655 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 -1.215 -40.898 26.051 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 -1.173 -42.438 26.068 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 8.064 -34.222 27.112 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 7.269 -34.803 27.078 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 8.718 -34.675 26.541 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 15.590 -30.678 27.917 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 15.295 -29.781 28.094 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 14.788 -31.223 28.030 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 4.353 -36.413 24.577 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 3.630 -36.858 24.048 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 5.178 -36.823 24.235 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 10.076 -35.202 25.432 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 10.323 -36.066 25.788 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 10.159 -35.315 24.452 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 4.543 -41.428 28.027 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 4.914 -42.339 28.080 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 4.918 -41.065 27.190 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 4.961 -40.220 25.667 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 5.766 -40.035 25.147 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 4.297 -40.482 25.000 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 11.437 -36.817 28.278 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 11.522 -37.679 27.804 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 10.560 -36.850 28.673 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 1.874 -35.645 27.582 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 2.537 -34.983 27.874 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 2.095 -36.443 28.086 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 0.443 -43.156 29.010 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 0.839 -42.675 28.251 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 1.136 -43.761 29.293 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 2.443 -34.445 25.088 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 3.118 -35.072 24.759 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 2.081 -34.884 25.881 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 8.037 -23.134 -18.914 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 8.911 -23.570 -18.945 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 7.438 -23.830 -18.569 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 3.839 -17.915 -16.855 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 4.788 -18.101 -16.667 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 3.599 -17.218 -16.203 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 1.783 -23.283 -18.286 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 1.902 -24.011 -18.936 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 2.554 -22.698 -18.439 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 7.187 -19.916 -18.381 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 7.099 -20.462 -19.185 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 7.904 -20.359 -17.866 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 12.353 -26.458 -19.061 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 12.139 -26.569 -18.104 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 11.891 -27.220 -19.496 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 3.203 -28.020 -20.799 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 2.561 -28.760 -20.822 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 3.991 -28.376 -21.257 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 2.374 -25.638 -19.674 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 1.872 -26.067 -18.950 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 2.633 -26.386 -20.257 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 6.699 -25.443 -18.354 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 7.540 -25.908 -18.149 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 6.036 -26.171 -18.425 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 2.340 -24.793 -16.035 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 2.134 -24.182 -16.782 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 3.280 -24.633 -15.849 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 11.507 -26.796 -16.511 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 11.598 -27.500 -15.831 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 11.726 -25.971 -16.030 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 5.509 -30.047 -17.980 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 4.971 -30.580 -18.605 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 5.583 -30.606 -17.197 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 12.230 -24.514 -15.096 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 11.601 -23.866 -14.759 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 12.836 -23.983 -15.671 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 6.698 -21.548 -20.602 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 5.941 -22.088 -20.871 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 7.257 -22.165 -20.069 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 7.793 -17.442 -19.554 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 7.979 -17.824 -20.431 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 7.511 -18.207 -19.021 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 6.367 -18.646 -16.128 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 7.199 -18.415 -15.670 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 6.663 -19.073 -16.962 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 9.115 -20.829 -16.680 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 9.871 -21.390 -16.922 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 8.929 -21.062 -15.743 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 2.426 -21.007 -14.061 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 1.912 -21.834 -14.066 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 2.419 -20.714 -14.993 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 1.715 -17.110 -18.395 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 1.951 -16.328 -18.899 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 2.554 -17.381 -17.963 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 7.499 -17.035 -9.747 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 7.963 -17.328 -10.558 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.900 -16.164 -9.551 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 14.709 -26.740 -9.927 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 15.009 -26.709 -10.858 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 14.792 -27.686 -9.681 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 4.716 -24.007 -19.756 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 5.448 -24.557 -19.409 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 3.985 -24.642 -19.896 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 14.290 -25.213 -20.573 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 13.832 -24.958 -21.375 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 13.584 -25.554 -19.991 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 0.159 -29.098 -18.565 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 -0.468 -29.406 -17.872 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 0.542 -28.275 -18.191 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 10.361 -24.575 -18.828 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 9.768 -25.292 -18.509 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 11.176 -25.047 -19.093 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 4.979 -27.451 -18.777 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 4.300 -27.594 -19.466 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 5.153 -28.346 -18.423 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 1.609 -30.236 -20.591 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 1.076 -29.952 -19.811 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 0.955 -30.287 -21.321 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 11.175 -28.758 -19.797 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.398 -29.264 -19.528 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 11.888 -29.426 -19.863 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 9.037 -26.756 -17.886 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 9.829 -26.977 -17.354 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 8.735 -27.627 -18.242 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 -0.263 -30.124 -22.611 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 -0.574 -31.062 -22.676 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 -0.313 -29.797 -23.516 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 6.888 -22.409 -9.234 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 7.765 -21.995 -9.076 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 6.296 -21.649 -9.396 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 4.097 -21.747 -18.393 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 4.424 -22.542 -18.877 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 4.840 -21.126 -18.433 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 9.023 -17.205 -12.108 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 8.890 -17.694 -12.945 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 9.358 -16.343 -12.389 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 11.229 -22.131 -18.011 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 10.967 -21.537 -18.725 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 10.902 -23.015 -18.299 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 7.956 -19.334 -21.684 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 7.992 -19.481 -22.632 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 7.485 -20.119 -21.335 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 8.767 -18.040 -14.787 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 8.644 -17.080 -15.001 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 9.360 -18.363 -15.477 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 8.578 -21.279 -13.996 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 9.132 -20.968 -13.277 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 7.693 -20.902 -13.795 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 2.977 -16.098 -15.047 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 2.025 -16.095 -14.827 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 3.418 -16.295 -14.190 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 7.978 -30.703 -25.503 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 7.604 -30.180 -26.221 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 8.896 -30.839 -25.761 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 15.343 -27.128 -12.608 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 15.439 -28.093 -12.422 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 16.065 -26.934 -13.217 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 8.775 -14.549 -9.676 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 8.449 -14.044 -8.895 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 9.733 -14.352 -9.704 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 9.142 -20.799 -8.924 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 9.876 -20.690 -8.294 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 9.097 -19.952 -9.382 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 13.520 -22.716 -16.654 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 14.273 -22.335 -17.116 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 12.740 -22.408 -17.167 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 2.426 -20.252 -16.747 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 2.943 -20.860 -17.316 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 2.942 -19.413 -16.767 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 15.523 -25.365 -7.679 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 15.207 -25.601 -8.573 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 15.754 -26.225 -7.278 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 12.767 -26.152 -12.904 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 12.740 -25.554 -13.680 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 13.709 -26.424 -12.842 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 13.018 -30.919 -10.352 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 13.048 -31.859 -10.599 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 12.881 -30.457 -11.202 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 0.945 -26.687 -17.479 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 0.019 -26.620 -17.150 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 1.450 -26.096 -16.888 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 -2.171 -23.860 -17.416 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 -1.512 -23.128 -17.371 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 -2.444 -23.873 -18.342 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 15.041 -29.405 -9.337 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 14.207 -29.925 -9.416 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 15.506 -29.584 -10.177 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 -1.809 -29.345 -20.478 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 -1.124 -29.079 -19.830 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 -1.328 -29.394 -21.328 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 9.755 -14.136 -12.318 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 10.549 -14.038 -11.762 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 9.035 -14.266 -11.675 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 15.480 -29.792 -12.096 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 14.563 -29.929 -12.431 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 15.909 -30.670 -12.221 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 0.738 -12.402 -10.382 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 0.651 -13.365 -10.406 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 -0.116 -12.072 -10.746 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 8.444 -15.488 -15.442 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 8.048 -15.411 -16.339 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 8.879 -14.625 -15.300 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 8.898 -12.649 -17.611 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 9.432 -11.841 -17.741 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 9.085 -12.910 -16.692 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 3.656 -13.453 -15.255 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 3.426 -14.408 -15.308 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 4.316 -13.328 -15.982 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 5.631 -13.398 -17.094 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 6.155 -14.193 -17.336 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 6.094 -12.673 -17.529 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 7.537 -15.156 -17.990 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 7.671 -15.906 -18.617 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 8.124 -14.453 -18.326 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 8.017 -29.087 -18.835 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 7.182 -29.364 -18.415 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 8.198 -29.794 -19.494 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 14.728 -27.894 -19.454 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 15.273 -27.260 -19.941 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 13.981 -27.362 -19.129 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 4.004 -31.263 -19.898 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 3.074 -31.028 -20.130 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 4.544 -30.748 -20.536 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 6.864 -31.298 -23.063 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 7.280 -31.021 -23.913 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 6.535 -32.187 -23.242 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 8.251 -31.061 -20.686 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 7.798 -31.099 -21.551 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 8.677 -31.938 -20.603 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 13.058 -25.098 -4.361 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 13.014 -25.899 -4.921 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 12.445 -24.480 -4.783 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 11.890 -19.366 -4.448 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 12.725 -19.622 -4.008 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 11.236 -19.995 -4.091 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 2.718 -25.932 -3.800 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 1.905 -26.279 -4.221 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 2.458 -25.795 -2.866 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 10.328 -14.879 1.452 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 10.285 -15.831 1.707 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 11.267 -14.746 1.206 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 5.396 -27.340 -0.970 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 5.699 -26.428 -0.914 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 5.273 -27.495 -1.937 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 3.187 -27.970 0.508 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 2.616 -28.513 -0.075 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 4.006 -27.833 -0.018 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 2.369 -21.491 3.745 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 1.869 -21.921 3.031 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 1.676 -21.167 4.354 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 8.764 -21.815 -1.727 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 8.267 -21.555 -2.508 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 9.655 -22.022 -2.073 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 1.181 -28.980 -1.208 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 0.323 -28.796 -1.647 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 1.084 -29.898 -0.872 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 10.331 -20.000 3.448 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 9.925 -19.948 2.563 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 10.975 -20.732 3.368 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 13.573 -15.898 -1.666 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 14.375 -16.419 -1.429 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 13.000 -16.537 -2.103 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 11.858 -16.473 -5.446 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 12.210 -16.779 -6.300 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 11.613 -17.290 -4.985 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 13.428 -19.843 6.834 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 13.542 -19.363 6.010 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 14.328 -19.868 7.223 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 12.115 -22.824 -5.948 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 11.762 -23.545 -6.524 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 13.079 -22.815 -6.144 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 11.455 -20.223 -7.083 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 11.649 -21.165 -6.916 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 11.473 -19.817 -6.194 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 9.505 -19.530 0.829 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 8.635 -19.994 0.823 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 9.954 -19.861 0.042 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 11.688 -25.049 -7.474 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 12.110 -25.845 -7.088 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 11.690 -25.222 -8.437 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 7.469 -15.041 -2.693 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 8.299 -14.920 -3.163 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 7.734 -15.120 -1.747 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -0.029 -21.112 5.070 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -0.912 -20.696 5.151 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 0.076 -21.604 5.911 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 -0.304 -16.204 5.805 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 -0.071 -16.088 4.858 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 0.307 -15.604 6.273 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 15.553 -17.079 6.465 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 16.072 -16.538 5.827 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 14.789 -16.514 6.684 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 10.846 -12.538 -7.372 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 11.261 -13.192 -7.953 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 11.036 -12.868 -6.465 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 11.185 -13.803 -4.967 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 11.688 -13.682 -4.135 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 11.339 -14.747 -5.202 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 12.106 -25.862 -10.161 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 13.004 -26.152 -9.903 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 12.122 -25.893 -11.136 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 -0.149 -21.463 -0.269 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 -1.109 -21.620 -0.274 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 0.131 -21.760 0.616 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 -1.170 -28.029 -2.370 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 -2.079 -28.375 -2.477 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 -1.277 -27.257 -1.766 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 3.999 -26.538 -6.487 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 3.744 -27.443 -6.205 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 3.754 -25.980 -5.729 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 7.727 -28.801 -0.738 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 6.844 -28.388 -0.740 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 7.702 -29.419 0.014 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 4.964 -27.506 -3.641 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 4.296 -26.790 -3.650 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 4.551 -28.220 -4.181 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 11.276 -15.473 10.355 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 11.508 -16.185 9.721 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 12.104 -15.320 10.852 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 7.180 -29.220 -4.296 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 6.786 -30.055 -3.973 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 6.532 -28.538 -4.045 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 11.119 -21.854 -3.444 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 12.013 -21.691 -3.081 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 11.290 -22.289 -4.306 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 5.508 -17.999 -7.913 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 6.367 -17.915 -8.385 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 5.673 -17.589 -7.043 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 15.543 -24.029 -4.231 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 14.684 -24.468 -4.032 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 15.379 -23.565 -5.077 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 16.005 -19.421 7.752 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 15.974 -18.571 7.252 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 16.782 -19.323 8.342 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 13.064 -15.187 -8.482 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 12.911 -16.138 -8.295 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 13.888 -14.987 -8.027 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 13.260 -15.973 3.865 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 14.013 -16.444 3.460 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 12.827 -15.539 3.114 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 12.905 -17.862 -7.669 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 12.254 -18.593 -7.727 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 13.758 -18.310 -7.616 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 16.777 -15.402 4.700 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 17.110 -14.502 4.644 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 17.152 -15.847 3.912 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 11.425 -13.755 -10.074 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 12.051 -14.370 -9.618 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 11.938 -12.947 -10.199 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 8.161 -13.048 -7.534 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 7.630 -12.496 -6.924 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 9.088 -12.833 -7.304 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 12.201 -23.979 8.007 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 12.618 -24.075 7.133 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 11.976 -23.025 8.063 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 0.605 -15.464 -3.526 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 -0.204 -15.882 -3.207 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 1.309 -15.825 -2.943 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 11.869 -21.325 8.547 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 12.468 -20.850 7.924 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 11.149 -20.681 8.719 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 13.754 -20.872 -2.873 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 14.073 -20.629 -1.983 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 14.503 -21.350 -3.266 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 15.524 -20.566 -0.659 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 15.980 -21.068 -1.371 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 16.243 -20.373 -0.005 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 15.109 -16.793 1.771 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 16.027 -16.747 2.108 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 15.198 -17.233 0.902 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 14.815 -22.978 -6.670 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 14.985 -23.887 -7.030 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 15.360 -22.405 -7.218 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 14.717 -30.037 -5.417 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 13.756 -30.116 -5.279 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 15.010 -30.946 -5.600 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 12.992 -27.163 -6.239 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 12.668 -28.030 -5.916 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 13.894 -27.354 -6.563 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 0.895 -31.445 0.073 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 0.967 -32.345 0.430 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 0.730 -30.888 0.871 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 1.694 -26.178 -1.184 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 1.507 -27.133 -1.307 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 2.240 -26.148 -0.385 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 15.588 -27.982 -6.897 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 15.518 -28.430 -7.766 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 15.449 -28.709 -6.243 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 3.697 -29.151 -5.363 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 4.320 -29.416 -6.087 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 3.130 -29.934 -5.245 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 7.977 -15.114 -0.047 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 7.285 -14.535 0.302 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 8.757 -14.928 0.515 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 10.431 -17.429 2.305 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 10.787 -18.049 2.964 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 10.041 -18.013 1.620 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 -2.466 -31.631 -2.507 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 -2.780 -30.771 -2.181 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 -2.316 -31.480 -3.460 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 3.151 -31.956 -5.685 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 2.859 -32.779 -6.154 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 4.025 -31.775 -6.051 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 13.371 -15.390 6.575 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 13.316 -15.558 5.604 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 13.447 -14.431 6.644 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 14.206 -17.498 14.581 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 13.421 -16.915 14.558 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 14.003 -18.143 15.267 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 13.556 -27.704 20.815 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 12.989 -27.951 20.060 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 14.357 -28.260 20.700 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 16.340 -25.284 22.191 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 15.685 -24.610 22.394 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 16.043 -26.072 22.702 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 9.271 -17.476 16.309 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 8.420 -17.868 16.573 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 9.758 -17.372 17.157 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 10.782 -18.413 14.114 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 10.066 -18.635 13.484 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 10.309 -18.222 14.951 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 3.396 -19.243 13.442 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 2.690 -19.348 14.112 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 4.166 -18.958 13.955 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 11.705 -22.668 20.347 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 10.840 -23.086 20.563 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 11.461 -21.791 20.005 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 10.783 -17.421 21.407 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 11.328 -17.362 22.198 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 10.115 -18.108 21.625 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 6.876 -18.716 17.594 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 6.817 -17.969 18.234 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 6.665 -19.511 18.135 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 6.923 -19.776 14.950 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 6.932 -19.315 15.807 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 6.813 -20.722 15.192 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 7.394 -16.606 21.733 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 7.896 -16.619 22.554 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 7.018 -17.506 21.666 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 14.163 -18.427 9.619 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 14.646 -18.218 10.439 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 14.818 -18.892 9.066 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 8.248 -19.216 24.481 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 7.392 -19.206 24.921 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 8.765 -19.869 24.975 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 6.477 -16.458 13.865 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 6.172 -17.142 13.263 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 5.917 -16.576 14.664 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 9.420 -14.077 11.877 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 10.035 -14.628 11.355 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 9.288 -14.581 12.704 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 9.088 -15.681 14.174 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 9.220 -16.206 14.991 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 8.135 -15.812 13.963 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 12.181 -23.083 23.105 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 12.122 -24.037 22.916 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 12.140 -22.668 22.226 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 -0.868 -17.322 27.574 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 -0.714 -16.346 27.582 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 0.002 -17.698 27.732 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 10.284 -28.778 23.373 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 9.822 -28.713 22.518 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 9.627 -29.192 23.967 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 6.908 -23.188 28.741 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 7.456 -23.185 27.947 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 7.538 -23.122 29.466 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 6.809 -22.775 21.363 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 6.094 -22.613 22.016 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 6.663 -22.091 20.681 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 1.855 -20.996 25.024 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 2.524 -21.684 24.918 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 2.168 -20.269 24.456 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 2.876 -22.645 11.969 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 3.574 -23.014 12.521 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 2.169 -22.407 12.605 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 8.958 -19.370 21.863 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.857 -19.415 22.841 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 8.035 -19.353 21.532 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 4.465 -21.867 22.544 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 4.215 -21.015 22.939 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 3.616 -22.237 22.227 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 8.455 -19.172 12.778 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 7.848 -19.212 13.555 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 8.613 -20.098 12.557 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 8.523 -22.015 18.297 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 9.281 -21.532 18.693 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 7.730 -21.568 18.679 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 10.647 -17.275 18.696 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 11.438 -16.749 18.546 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 10.531 -17.256 19.675 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 10.263 -20.302 19.630 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 9.852 -20.073 20.494 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 10.433 -19.441 19.214 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 10.252 -19.114 8.969 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 11.033 -18.559 9.147 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 9.535 -18.692 9.495 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 8.205 -26.190 21.396 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 7.251 -26.218 21.631 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 8.470 -27.127 21.357 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 12.905 -27.979 23.426 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 11.926 -28.089 23.451 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 13.094 -27.737 22.493 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 6.757 -22.221 16.202 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 7.568 -22.159 16.740 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 6.068 -22.485 16.841 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 0.981 -14.976 24.873 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 1.524 -14.790 24.080 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 0.108 -14.572 24.664 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 12.180 -17.142 8.401 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 12.933 -17.649 8.804 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 12.619 -16.513 7.789 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 6.341 -19.138 21.185 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 6.301 -19.778 20.433 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 5.461 -19.189 21.584 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 9.345 -23.727 21.031 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 9.339 -24.599 21.477 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 8.552 -23.271 21.387 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 0.701 -24.188 23.785 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 0.397 -23.670 24.564 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 1.230 -24.912 24.177 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 3.823 -24.813 19.789 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 4.477 -25.137 20.432 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 4.276 -24.068 19.334 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 1.848 -22.445 21.800 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 1.420 -23.036 22.456 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 1.722 -22.899 20.949 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 5.488 -26.181 21.577 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 5.024 -26.042 22.417 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 5.077 -27.003 21.209 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 11.122 -28.592 27.365 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 10.377 -28.200 26.894 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 10.953 -28.363 28.310 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 10.206 -28.123 29.859 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 10.295 -28.228 30.808 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 9.331 -28.537 29.653 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 2.831 -27.558 23.177 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 1.945 -27.463 22.777 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 2.719 -27.192 24.079 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 6.653 -29.396 26.795 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 7.235 -29.656 26.063 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 5.919 -30.027 26.754 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 7.922 -29.431 29.255 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 7.397 -29.262 28.445 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 8.105 -30.396 29.223 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 8.617 -17.585 10.520 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 8.530 -16.650 10.742 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 8.504 -18.048 11.378 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 -0.295 -19.012 10.837 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 -0.933 -19.557 10.325 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 -0.848 -18.351 11.275 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 14.785 -28.061 17.772 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 15.212 -28.575 18.482 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 13.838 -28.144 17.959 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 12.124 -25.383 21.511 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 12.246 -24.659 20.876 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 12.727 -26.082 21.200 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 16.047 -30.305 23.534 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 16.609 -30.720 22.853 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 16.375 -30.687 24.378 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 13.110 -29.416 25.690 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 13.091 -28.706 25.015 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 12.469 -29.115 26.369 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 -0.178 -17.517 24.345 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 -0.459 -17.091 23.502 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 0.361 -16.832 24.784 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 2.631 -16.947 21.930 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 2.466 -16.048 22.276 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 2.027 -17.019 21.162 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 1.758 -14.323 22.277 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 2.224 -13.904 21.531 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 0.820 -14.052 22.152 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 4.355 -12.886 18.414 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 4.828 -12.166 18.882 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 3.536 -13.013 18.935 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 6.637 -16.415 19.134 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 6.878 -15.538 18.808 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 6.954 -16.420 20.068 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 4.111 -28.361 20.853 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 3.590 -28.170 21.663 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.224 -29.335 20.871 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 4.536 -31.595 26.494 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 5.290 -31.998 26.008 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 3.925 -31.321 25.801 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 8.664 -32.044 28.712 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 8.401 -32.879 28.277 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 9.536 -31.837 28.323 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 4.193 -23.673 28.587 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 4.103 -24.328 29.284 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 5.142 -23.425 28.611 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 -3.736 -27.591 30.074 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 -3.871 -28.549 29.961 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 -3.824 -27.230 29.165 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 0.188 -22.828 26.104 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 0.616 -21.979 25.850 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 -0.441 -22.577 26.816 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 2.764 -23.943 26.266 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 1.903 -23.522 26.444 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 3.288 -23.778 27.083 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 -0.014 -27.265 27.191 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 -0.302 -27.961 27.826 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 -0.354 -26.435 27.587 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 2.937 -19.497 22.894 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 2.884 -18.527 22.708 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 2.321 -19.892 22.261 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 1.775 -26.301 25.356 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 2.279 -25.550 25.746 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 1.281 -26.678 26.116 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 -0.175 -14.708 27.387 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 0.367 -14.739 26.572 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 -0.546 -13.808 27.393 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 11.073 -21.902 25.355 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 11.340 -22.285 24.491 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 11.780 -22.155 25.950 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 -0.664 -28.438 24.704 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 -0.283 -27.964 25.475 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 -0.218 -28.042 23.938 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 1.457 -11.575 -15.234 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 0.715 -12.158 -15.488 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 2.246 -12.137 -15.338 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 9.592 -13.054 -14.886 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 9.636 -13.464 -13.990 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 10.080 -12.230 -14.791 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 11.123 -5.755 -7.443 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 10.555 -5.243 -8.063 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 12.020 -5.460 -7.647 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 1.575 -9.201 -13.854 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 1.677 -8.494 -14.497 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 1.421 -10.006 -14.404 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 10.073 -2.285 -10.871 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 10.857 -2.075 -11.392 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 9.444 -1.591 -11.097 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 5.217 -10.473 -11.693 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 4.256 -10.433 -11.854 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 5.542 -11.120 -12.356 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 5.702 -12.466 -13.560 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 4.996 -12.756 -14.167 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 6.517 -12.727 -14.004 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 3.699 -7.760 -8.958 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 2.982 -7.576 -9.601 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 3.591 -7.062 -8.271 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 2.190 -13.593 -12.895 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 2.004 -12.662 -12.683 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 2.826 -13.544 -13.638 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 6.083 -9.038 -9.468 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 5.279 -8.479 -9.399 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 5.956 -9.533 -10.306 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 9.520 -4.318 -9.144 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 9.803 -3.524 -9.658 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 8.936 -4.792 -9.750 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 10.553 -10.427 -17.623 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 11.365 -10.436 -18.140 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 10.315 -9.496 -17.568 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 2.468 -10.907 -11.968 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 2.157 -10.250 -12.638 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 1.684 -11.061 -11.405 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 1.544 -7.523 -10.817 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 1.604 -7.829 -11.734 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 0.984 -8.201 -10.373 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 -1.420 -12.919 -13.161 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 -1.143 -12.979 -14.095 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 -1.353 -13.834 -12.833 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 0.532 -11.447 -7.831 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 -0.262 -11.899 -7.466 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 0.697 -11.906 -8.681 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 10.015 -10.205 -8.548 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 10.339 -11.012 -8.091 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 9.435 -10.542 -9.238 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -0.245 -5.138 -1.542 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -0.609 -4.817 -2.374 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 0.313 -4.397 -1.225 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 1.502 -4.889 1.236 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 1.556 -4.212 0.524 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 0.583 -4.850 1.526 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 12.037 -10.736 -3.533 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 12.837 -10.267 -3.275 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 12.239 -11.674 -3.348 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 2.035 -7.618 1.280 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 3.007 -7.654 1.200 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 1.827 -6.664 1.220 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 3.495 -3.021 -2.121 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 4.454 -3.028 -1.930 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 3.373 -3.754 -2.757 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 1.316 -10.567 0.398 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 1.236 -10.188 1.305 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 1.474 -9.786 -0.175 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 4.808 -7.340 0.956 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 4.755 -6.878 0.082 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 4.680 -6.614 1.613 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 5.882 -5.048 -5.541 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 6.070 -4.592 -4.705 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 6.522 -4.652 -6.175 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 1.258 -2.957 -0.669 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 2.093 -2.945 -1.206 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 1.050 -2.024 -0.542 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 3.684 -6.234 -6.671 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 3.617 -6.869 -5.937 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 4.444 -5.668 -6.426 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 8.998 -13.857 3.590 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 9.469 -13.999 2.739 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 9.552 -13.191 4.065 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 7.282 -8.855 -7.007 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 7.017 -8.883 -7.962 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 8.226 -8.590 -7.029 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 6.633 -9.282 0.179 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 7.200 -9.004 -0.573 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 6.085 -8.493 0.369 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 4.539 -5.821 -1.238 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 3.917 -5.656 -1.970 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 5.156 -5.061 -1.274 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 8.094 -4.063 -6.764 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 8.554 -3.988 -7.621 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 8.679 -4.635 -6.227 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 7.794 -3.881 -3.771 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 7.956 -3.196 -4.437 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 8.429 -4.589 -4.001 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 3.884 -5.358 2.552 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 3.831 -4.882 3.385 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 3.089 -5.067 2.057 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 1.682 -9.923 -4.002 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 1.593 -9.347 -3.213 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 0.772 -10.230 -4.178 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 -2.084 -7.644 -9.115 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 -1.312 -8.253 -9.128 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 -1.688 -6.760 -9.281 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 3.055 -5.327 -3.572 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 3.322 -6.261 -3.746 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 2.672 -5.035 -4.410 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 3.917 -7.782 -4.337 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 4.898 -7.783 -4.299 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 3.697 -8.601 -4.821 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 13.047 -15.182 0.976 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 13.126 -15.335 0.014 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 13.819 -15.656 1.353 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 4.503 -9.235 -6.692 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 4.144 -8.771 -7.476 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 5.467 -9.127 -6.774 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 6.154 -3.573 -1.595 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 6.760 -3.677 -2.366 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 6.724 -3.244 -0.891 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 10.371 -12.087 5.108 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 10.780 -11.236 4.926 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 10.177 -12.058 6.071 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 10.012 -8.224 -6.717 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 10.473 -7.430 -7.057 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 10.158 -8.905 -7.418 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 0.904 -9.539 2.910 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 0.498 -9.297 3.756 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 1.227 -8.689 2.541 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 6.115 -9.555 5.517 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 7.009 -9.251 5.703 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 6.019 -9.439 4.546 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 9.857 -9.209 -4.133 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 9.943 -8.913 -5.065 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 10.732 -9.604 -3.924 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 6.625 -7.538 -4.658 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 6.919 -8.029 -5.453 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 6.441 -6.634 -4.992 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 6.892 -11.341 -5.821 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 7.646 -11.518 -5.210 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 7.074 -10.448 -6.173 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 -0.391 -5.655 -9.993 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 -0.079 -4.763 -10.162 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 0.355 -6.227 -10.263 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 9.594 -5.671 -5.114 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 10.300 -5.698 -5.794 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 9.532 -6.587 -4.802 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 5.711 -9.376 2.820 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 6.285 -9.638 2.074 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 5.228 -8.603 2.482 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 6.699 -12.634 4.611 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 7.549 -12.904 4.210 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 6.754 -12.971 5.530 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 6.006 -6.911 9.979 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 5.030 -6.957 9.997 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 6.197 -6.018 9.679 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 5.003 -10.537 7.849 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 5.747 -11.013 8.265 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 5.402 -10.111 7.060 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 9.797 -11.775 7.819 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 10.187 -11.529 8.684 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 8.841 -11.628 7.947 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 7.223 -11.780 8.912 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 7.374 -12.332 9.694 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 7.299 -10.851 9.257 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 1.861 -11.959 8.631 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 1.150 -12.091 9.294 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 2.328 -11.156 8.938 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 7.265 -13.855 7.038 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 8.083 -14.233 7.428 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 7.000 -13.162 7.674 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 -0.036 -9.991 6.004 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 0.171 -9.373 6.734 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 -0.716 -10.578 6.374 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 1.391 -8.604 -1.544 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 1.968 -7.873 -1.284 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 0.491 -8.294 -1.300 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 -1.022 -7.600 -0.644 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 -1.676 -7.361 0.020 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 -0.715 -6.733 -1.002 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 -0.754 -11.329 -4.670 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 -1.556 -10.822 -4.503 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 -0.983 -11.889 -5.444 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 -2.387 -14.284 3.370 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 -2.811 -13.871 4.144 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 -2.257 -13.545 2.750 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 7.635 -8.821 -2.370 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 7.150 -8.286 -3.029 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 8.485 -9.019 -2.810 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 2.512 -11.628 -5.976 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 1.786 -11.553 -6.631 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 2.307 -10.938 -5.315 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 12.572 -13.370 -2.623 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 12.181 -13.229 -1.752 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 13.153 -14.148 -2.499 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 9.117 -11.921 -4.423 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 9.558 -11.097 -4.146 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 9.852 -12.547 -4.577 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 9.633 -14.543 8.292 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 10.266 -14.895 8.948 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 9.812 -13.584 8.280 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 0.509 -6.441 10.222 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 -0.174 -6.302 10.906 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 0.504 -5.600 9.707 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 -1.941 -0.716 14.705 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 -2.157 -0.564 15.632 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 -1.312 -0.019 14.491 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 4.644 -12.229 15.752 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 3.700 -12.264 15.526 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 4.673 -12.496 16.699 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 -0.731 -8.949 13.586 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 -0.266 -9.295 14.380 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 -0.039 -8.880 12.920 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 0.250 -8.772 19.859 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 1.033 -8.254 20.067 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 0.386 -9.616 20.341 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 5.690 -10.803 19.616 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 5.739 -10.465 20.514 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 6.392 -10.340 19.146 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 3.930 -16.660 18.553 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 4.838 -16.489 18.879 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 3.385 -16.659 19.357 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 13.631 -15.213 11.971 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 13.069 -15.453 12.744 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 14.015 -14.363 12.213 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 1.958 -13.004 19.821 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 1.221 -13.552 19.486 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 1.526 -12.189 20.135 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 9.874 -11.674 10.597 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 9.423 -11.013 11.155 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 9.743 -12.520 11.077 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 7.307 -9.317 9.958 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 7.642 -9.416 10.871 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 6.895 -8.425 9.948 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 -2.095 -10.605 16.334 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 -2.436 -10.552 15.437 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 -1.137 -10.437 16.237 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 0.612 -8.618 8.377 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 1.503 -8.938 8.648 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 0.466 -7.824 8.931 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 3.278 -6.989 10.472 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 2.339 -6.778 10.288 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 3.431 -6.631 11.355 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 1.915 -12.473 14.790 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 1.345 -13.257 14.955 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 2.270 -12.622 13.905 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 0.716 -11.007 21.444 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 0.220 -11.822 21.691 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 1.445 -10.960 22.109 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 8.305 -10.121 12.421 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 8.664 -9.557 13.113 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 7.694 -10.729 12.900 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 2.996 -9.516 9.301 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 3.312 -8.705 9.747 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 3.794 -9.854 8.825 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 1.179 -16.952 19.645 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 0.716 -16.096 19.545 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 0.506 -17.618 19.401 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 0.610 -10.192 15.669 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 1.117 -9.891 16.435 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 1.082 -11.006 15.374 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 -1.664 -7.815 18.112 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 -0.955 -8.182 18.685 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 -2.161 -7.219 18.700 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 -3.153 -9.864 12.706 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 -3.176 -9.553 11.772 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 -2.282 -9.547 13.041 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 -1.334 -13.673 24.359 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 -2.182 -13.401 24.765 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 -1.486 -13.581 23.389 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 -0.314 -12.412 10.257 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 -0.627 -12.658 11.145 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 -0.810 -13.014 9.660 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 5.033 -17.295 16.056 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 4.498 -16.872 16.754 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 5.662 -17.852 16.548 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 11.938 -15.978 13.950 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 11.579 -16.893 13.884 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 11.143 -15.423 14.051 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 4.004 -14.015 6.777 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 4.003 -13.321 7.447 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 3.062 -14.235 6.662 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 6.708 -11.760 13.963 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 5.966 -11.786 14.609 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 6.947 -12.686 13.847 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 2.536 -11.050 23.453 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 1.823 -11.221 24.106 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 3.334 -11.361 23.888 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 18.687 -47.873 -11.579 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 18.178 -48.676 -11.807 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 19.155 -48.116 -10.749 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 18.512 -53.231 -9.684 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 18.160 -53.541 -10.542 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 17.953 -52.461 -9.461 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 17.118 -47.990 -14.416 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 16.353 -47.576 -13.978 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 17.518 -48.540 -13.718 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 22.095 -56.805 1.728 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 21.797 -56.405 2.566 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 22.078 -56.062 1.094 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 18.998 -56.932 -4.782 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 19.025 -57.674 -5.416 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 19.736 -57.123 -4.157 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 20.835 -57.556 -2.817 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 20.051 -58.051 -2.484 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 21.540 -57.759 -2.159 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 22.629 -55.440 -3.325 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 22.069 -56.242 -3.325 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 22.061 -54.753 -2.917 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 22.341 -54.525 0.210 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 21.883 -53.893 0.809 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 22.089 -54.222 -0.688 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 22.599 -52.862 4.959 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 22.259 -52.044 4.556 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 23.576 -52.731 4.974 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 18.549 -58.676 -6.997 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 19.046 -59.429 -7.333 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 18.569 -58.027 -7.735 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 25.163 -54.915 -2.220 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 25.217 -55.437 -1.392 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 24.344 -55.239 -2.651 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 22.248 -51.731 -4.119 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 23.128 -52.184 -4.157 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 22.383 -50.993 -3.481 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 24.575 -56.139 0.115 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 23.835 -55.492 0.154 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 24.635 -56.482 1.013 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 24.288 -49.858 3.330 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 24.298 -49.035 2.811 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 23.365 -50.167 3.267 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 21.273 -54.849 3.555 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 20.902 -54.260 2.854 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 21.932 -54.286 4.007 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 21.663 -50.786 3.149 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 21.421 -51.640 2.711 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 21.549 -50.118 2.433 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 25.188 -52.079 4.662 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 26.147 -52.103 4.675 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 24.974 -51.246 4.182 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 18.130 -61.532 -1.363 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 18.697 -62.303 -1.435 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 17.364 -61.845 -0.836 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 16.534 -50.887 7.111 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 17.301 -50.307 6.947 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 16.123 -50.510 7.909 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 22.631 -57.977 -0.800 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 23.496 -57.539 -0.745 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 22.286 -57.933 0.110 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 21.059 -54.680 6.316 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 21.704 -53.962 6.132 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 20.909 -55.089 5.441 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 21.268 -53.367 -2.089 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 20.922 -52.722 -1.427 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 21.357 -52.841 -2.908 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 24.342 -53.380 -4.386 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 25.060 -53.632 -3.783 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 23.787 -54.179 -4.439 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 25.638 -52.233 -1.614 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 25.563 -53.193 -1.793 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 24.741 -51.978 -1.308 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 22.173 -49.556 -2.501 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 21.219 -49.343 -2.378 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 22.617 -48.686 -2.437 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.287 -52.478 -6.595 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 21.514 -52.441 -5.646 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 21.530 -51.600 -6.928 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 18.619 -56.691 -8.913 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 18.142 -56.149 -8.249 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 19.470 -56.228 -9.023 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 22.128 -49.742 -6.076 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 22.800 -49.052 -5.879 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 22.243 -50.397 -5.362 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 18.026 -55.158 -6.737 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 18.878 -54.790 -7.059 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 18.270 -55.638 -5.921 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 18.896 -51.704 4.669 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 19.315 -52.013 3.854 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 19.240 -50.796 4.786 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 18.611 -53.428 6.825 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 18.599 -52.756 6.107 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 19.540 -53.733 6.846 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 16.705 -57.475 9.254 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 17.400 -57.349 9.941 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 17.149 -57.211 8.415 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 23.712 -47.666 -5.206 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 24.324 -47.969 -4.504 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 24.080 -46.794 -5.482 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 20.302 -54.519 -8.108 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 20.777 -53.842 -7.569 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 19.781 -53.988 -8.753 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 18.597 -58.909 -1.917 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 17.804 -58.587 -1.486 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 18.542 -59.888 -1.821 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 23.242 -51.267 -0.675 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 22.443 -51.611 -0.220 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 22.886 -50.594 -1.295 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 27.621 -47.540 -1.858 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 27.755 -48.464 -1.578 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 26.824 -47.578 -2.422 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 27.511 -50.322 -1.195 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 26.862 -51.018 -1.468 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 28.346 -50.794 -1.133 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 19.627 -48.829 -9.198 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 19.201 -49.648 -8.924 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 19.846 -48.381 -8.358 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 16.749 -46.017 14.724 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.236 -46.051 13.872 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 17.167 -46.704 15.262 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 15.794 -52.985 11.796 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 16.070 -53.605 11.093 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 15.416 -53.564 12.490 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 20.732 -56.568 8.271 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 21.572 -57.002 8.436 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 20.951 -55.849 7.640 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 16.541 -49.200 9.325 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 15.963 -48.422 9.271 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 17.302 -48.976 8.753 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 18.156 -56.132 7.389 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 18.346 -55.230 7.075 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 19.022 -56.456 7.719 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 14.086 -45.634 15.517 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 15.026 -45.681 15.238 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 13.725 -44.890 15.013 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 19.737 -46.018 17.605 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 19.596 -46.880 18.014 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 19.729 -46.207 16.635 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 20.129 -49.242 4.905 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 20.277 -48.345 4.539 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 20.805 -49.792 4.458 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 15.053 -39.921 -14.267 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 15.500 -39.144 -13.875 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 15.750 -40.585 -14.336 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 16.369 -43.373 -12.933 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 15.394 -43.475 -12.871 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 16.723 -44.225 -12.593 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 18.001 -45.733 -15.752 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 17.676 -46.567 -15.348 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 18.956 -45.817 -15.727 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 16.795 -39.935 -9.186 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 15.870 -39.766 -8.909 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 16.731 -40.744 -9.747 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 18.236 -43.869 -9.864 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 18.850 -43.463 -9.223 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 17.606 -43.156 -10.074 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 15.038 -47.105 -12.690 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 15.763 -46.580 -12.276 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 14.572 -47.519 -11.914 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 12.845 -45.477 -10.721 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 13.257 -45.043 -9.958 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 13.125 -46.429 -10.637 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 13.411 -45.500 -14.227 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 13.414 -44.681 -13.691 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 14.021 -46.099 -13.749 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 17.138 -45.675 -11.613 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 17.747 -46.451 -11.673 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 17.523 -45.130 -10.887 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 16.222 -43.230 -0.061 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 17.094 -42.927 -0.348 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 15.614 -42.477 -0.305 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 15.631 -37.562 -7.038 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 15.267 -36.687 -6.783 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 16.550 -37.363 -7.327 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 24.590 -32.558 -0.727 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 24.350 -32.329 -1.652 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 24.926 -31.718 -0.356 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 26.239 -37.421 5.107 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 25.948 -37.922 5.872 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 26.093 -38.030 4.353 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 19.403 -41.404 -1.247 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 18.581 -40.866 -1.352 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 19.494 -41.873 -2.112 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 22.771 -39.075 4.018 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 21.895 -39.014 3.599 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 22.609 -38.824 4.948 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 19.791 -39.026 5.300 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 19.894 -39.140 4.327 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 19.220 -38.228 5.385 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 12.882 -36.519 -10.328 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 13.452 -35.856 -9.876 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 13.516 -37.102 -10.795 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 25.117 -49.273 -0.297 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 24.560 -50.079 -0.259 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 26.029 -49.615 -0.378 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 21.181 -39.726 0.083 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 20.586 -40.347 -0.395 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 20.997 -38.853 -0.331 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 25.364 -39.475 3.439 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 25.326 -40.325 2.994 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 24.421 -39.270 3.648 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 17.779 -39.859 1.540 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 17.411 -39.718 0.648 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 17.953 -40.815 1.579 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 21.793 -35.694 6.830 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 22.024 -36.640 6.681 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 22.538 -35.347 7.362 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 20.794 -42.427 3.462 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 20.050 -42.334 2.831 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 21.569 -42.160 2.953 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 25.694 -34.910 -1.772 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 25.292 -34.127 -1.343 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 26.193 -35.334 -1.069 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 15.390 -38.591 -2.967 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 14.810 -38.879 -2.206 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 15.637 -37.688 -2.741 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 23.817 -33.841 4.423 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 22.880 -34.127 4.328 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 24.007 -33.372 3.583 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 24.945 -34.722 -4.381 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 25.271 -34.800 -3.458 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 24.871 -35.630 -4.681 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 20.505 -45.431 -2.236 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 20.393 -45.147 -1.304 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 19.641 -45.237 -2.648 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 19.428 -42.814 -3.592 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 18.766 -43.528 -3.557 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 19.939 -43.002 -4.407 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 19.045 -42.431 1.261 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 19.224 -42.009 0.393 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 19.309 -43.366 1.126 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 26.675 -43.803 0.718 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 27.063 -44.142 -0.119 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 27.337 -44.008 1.383 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 20.800 -43.713 -5.858 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 20.898 -44.654 -5.593 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 21.595 -43.537 -6.403 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 19.662 -42.302 -7.967 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 19.388 -41.428 -7.630 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 19.893 -42.807 -7.160 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 23.564 -44.284 -1.472 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 22.783 -43.801 -1.776 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 23.736 -43.924 -0.574 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 24.040 -43.282 1.036 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 23.932 -42.303 1.035 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 25.018 -43.417 0.981 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 20.202 -39.245 2.640 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 20.683 -39.390 1.800 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 19.254 -39.318 2.382 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 17.380 -34.751 -2.879 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 17.279 -33.832 -3.229 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 17.111 -34.682 -1.955 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 18.406 -39.884 -6.988 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 17.750 -40.022 -6.280 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 17.876 -39.918 -7.814 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 20.395 -37.304 -1.172 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 19.463 -37.349 -1.417 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 20.643 -36.384 -1.352 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 24.356 -32.583 2.035 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 24.283 -32.857 1.100 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 25.321 -32.671 2.235 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 21.553 -31.913 -2.804 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 21.402 -32.827 -2.490 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 22.473 -31.928 -3.156 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 17.482 -46.561 3.381 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 18.026 -46.437 4.168 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 18.123 -46.856 2.692 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.559 -35.592 -5.234 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 19.419 -35.234 -4.991 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 17.992 -35.399 -4.452 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 15.904 -39.846 -5.488 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 15.841 -39.013 -5.987 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 15.734 -39.584 -4.558 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 22.842 -46.872 -2.085 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 23.271 -46.029 -1.824 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 21.887 -46.667 -2.057 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 25.743 -44.448 -3.130 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 24.996 -44.353 -2.505 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 26.524 -44.547 -2.555 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 19.107 -30.717 -2.254 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 19.939 -31.138 -2.566 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 18.786 -31.317 -1.548 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 21.290 -46.230 -4.884 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 21.211 -46.021 -3.934 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 22.122 -46.747 -4.947 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 18.216 -36.887 -7.589 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 18.686 -37.733 -7.469 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 18.406 -36.386 -6.755 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 22.590 -43.163 -7.873 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 21.810 -42.757 -8.287 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 22.920 -43.775 -8.538 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 24.038 -32.745 6.898 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 23.981 -33.168 6.012 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 23.978 -33.495 7.525 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 20.941 -41.446 5.993 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 20.438 -40.610 5.934 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 20.941 -41.789 5.072 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 23.655 -40.578 0.939 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 22.762 -40.349 0.596 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 24.049 -39.725 1.154 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 20.077 -44.878 0.514 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 20.935 -44.883 0.988 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 19.664 -45.738 0.764 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 21.381 -49.231 0.907 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 20.536 -48.737 1.001 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 21.114 -50.064 0.447 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 20.996 -45.251 5.780 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 20.806 -44.424 5.313 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 20.996 -45.928 5.073 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 23.630 -47.753 1.424 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 22.806 -48.239 1.192 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 24.291 -48.088 0.779 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 19.170 -43.291 9.975 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.776 -43.773 9.210 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.104 -43.588 9.992 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 22.437 -45.345 1.939 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 23.034 -44.603 1.697 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 22.967 -46.153 1.740 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 17.455 -37.543 -10.364 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 17.283 -38.457 -10.056 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 17.941 -37.137 -9.631 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 17.069 -40.056 -1.304 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 16.802 -39.475 -2.037 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 16.209 -40.450 -0.995 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 26.414 -34.744 4.588 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 25.468 -34.518 4.689 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 26.454 -35.705 4.798 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 24.870 -29.878 0.254 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 24.711 -29.692 1.197 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 23.964 -29.907 -0.140 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 27.940 -44.881 -1.483 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 28.745 -44.676 -1.970 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 27.876 -45.868 -1.526 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 17.637 -49.364 -7.038 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 17.165 -48.522 -7.097 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 18.526 -49.111 -6.708 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 25.087 -48.167 -2.836 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 24.335 -47.577 -2.613 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 25.175 -48.740 -2.049 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 16.937 -34.306 -8.023 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 16.151 -34.568 -8.537 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 17.502 -35.096 -8.031 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 20.003 -48.150 -6.512 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 20.771 -48.753 -6.380 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 20.218 -47.370 -5.964 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 24.612 -45.105 -5.513 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 25.086 -44.890 -4.674 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 24.395 -44.246 -5.888 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 16.429 -49.849 2.570 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 17.194 -49.741 1.954 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 16.832 -50.124 3.399 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 20.733 -46.863 3.500 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 20.174 -47.160 2.743 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 21.422 -46.304 3.076 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 17.217 -32.249 -3.888 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 16.956 -32.060 -4.813 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 17.739 -31.474 -3.622 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 15.719 -40.624 22.688 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 15.682 -41.074 21.814 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 16.083 -41.305 23.283 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 21.198 -36.859 18.143 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 21.523 -37.758 18.344 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 20.235 -36.983 18.003 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 22.216 -44.794 17.515 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 21.339 -45.221 17.593 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 22.085 -43.917 17.892 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 18.735 -40.558 17.405 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 18.420 -40.518 16.484 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 18.674 -41.506 17.640 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 22.584 -41.311 11.207 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 22.581 -40.757 10.405 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 21.809 -40.998 11.717 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 18.768 -43.386 17.885 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 19.100 -44.289 18.054 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 18.521 -43.403 16.931 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 21.384 -39.614 17.538 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 20.509 -39.981 17.756 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 21.439 -39.695 16.569 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 24.362 -35.592 15.090 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 23.608 -36.210 15.222 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 25.096 -36.163 14.851 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 19.181 -37.592 12.936 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 19.972 -37.894 12.479 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 18.749 -38.417 13.236 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 16.704 -38.013 23.023 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 16.260 -38.886 22.932 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 17.547 -38.129 22.566 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 23.100 -30.987 13.087 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 22.123 -30.925 12.970 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 23.274 -31.937 13.109 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 17.694 -36.274 19.800 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 18.140 -35.412 19.669 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 17.049 -36.099 20.508 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 20.235 -40.867 12.544 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 19.290 -40.580 12.559 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 20.187 -41.830 12.646 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 17.033 -43.254 23.165 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 17.694 -43.780 23.627 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 17.392 -43.164 22.251 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 18.241 -43.700 15.250 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 18.415 -43.392 14.338 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 17.632 -44.451 15.134 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.441 -43.085 12.567 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 18.618 -43.137 11.598 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 17.980 -42.212 12.677 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 21.866 -43.797 10.322 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 22.085 -43.645 9.375 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 22.277 -43.032 10.787 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 21.974 -43.282 7.666 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 21.564 -42.589 7.096 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 21.937 -44.086 7.119 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 22.198 -46.932 13.457 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 22.726 -46.378 14.084 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 22.752 -47.705 13.305 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 18.641 -37.794 17.691 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 18.193 -37.396 18.474 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 18.558 -38.762 17.830 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 11.424 -39.061 26.788 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 11.841 -39.847 26.416 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 10.788 -38.778 26.095 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 20.248 -35.314 14.948 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 20.622 -34.681 14.301 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 20.967 -35.962 15.089 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 22.195 -37.163 15.559 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 21.805 -38.018 15.267 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 21.972 -37.112 16.512 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 21.530 -33.500 13.379 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 21.009 -32.668 13.256 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 21.661 -33.835 12.465 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 15.756 -32.362 20.455 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 15.726 -33.327 20.474 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 16.609 -32.141 20.889 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 20.543 -36.143 9.244 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 20.139 -37.011 9.147 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 20.893 -35.940 8.354 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 23.547 -34.725 8.757 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 24.191 -35.277 9.216 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 22.936 -34.428 9.468 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 21.646 -34.039 10.642 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 21.247 -33.188 10.357 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 21.071 -34.727 10.233 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 20.854 -46.225 10.985 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 21.325 -46.564 11.771 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 21.302 -45.370 10.790 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 20.860 -39.452 14.822 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 21.005 -40.022 14.042 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 19.882 -39.457 14.937 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 19.458 -40.684 9.244 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 18.647 -40.249 9.527 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 19.324 -41.624 9.491 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 15.425 -33.378 23.686 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 14.828 -33.893 24.259 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 15.829 -34.047 23.100 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 22.066 -38.405 6.653 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 22.211 -39.063 7.369 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 21.189 -38.646 6.281 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 22.069 -40.318 8.642 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 21.102 -40.390 8.831 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 22.300 -41.181 8.264 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 20.973 -31.396 10.215 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 20.762 -31.328 11.178 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 20.624 -30.566 9.840 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 15.365 -42.154 20.457 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 14.472 -42.478 20.692 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 15.244 -41.729 19.577 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 18.599 -45.816 12.676 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 19.228 -46.081 11.973 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 18.588 -44.833 12.627 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 15.425 -34.291 26.508 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 15.884 -35.023 26.039 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 14.886 -34.745 27.184 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 18.026 -28.978 20.367 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 18.375 -28.825 19.458 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 18.264 -28.159 20.854 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 18.343 -34.604 16.960 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 19.180 -34.409 16.506 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 18.443 -34.187 17.839 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 21.218 -34.012 18.201 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 21.328 -34.978 18.325 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 21.771 -33.809 17.420 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 23.849 -31.445 17.248 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 24.600 -31.758 17.758 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 23.482 -32.258 16.833 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 23.665 -45.734 15.405 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 23.124 -45.407 16.162 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 24.566 -45.498 15.642 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 19.830 -46.735 14.966 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 19.339 -46.397 14.192 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 20.727 -46.902 14.618 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 19.957 -46.657 8.139 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 20.564 -46.218 7.510 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 20.406 -46.578 9.006 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 18.216 -19.195 3.723 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 19.127 -19.482 3.962 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 17.733 -19.231 4.558 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 15.441 -17.810 -0.924 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 15.263 -18.747 -0.706 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 16.171 -17.859 -1.580 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 16.596 -21.907 -2.783 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 17.495 -22.099 -2.427 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 16.330 -22.745 -3.222 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 17.470 -20.112 1.178 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 17.603 -19.757 2.077 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 18.293 -20.616 0.999 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 20.016 -29.190 -0.104 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 19.522 -29.636 -0.824 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 19.761 -28.243 -0.186 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 19.063 -22.275 -1.632 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 19.293 -22.013 -0.710 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 19.589 -23.093 -1.786 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 22.823 -18.552 3.634 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 22.837 -18.140 4.533 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 23.751 -18.738 3.448 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 19.984 -29.206 2.620 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 19.020 -29.287 2.764 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 20.082 -29.220 1.642 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 22.975 -17.827 6.253 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 23.497 -18.368 6.876 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 22.529 -17.179 6.824 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 22.421 -30.265 -0.808 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 22.141 -30.733 -1.621 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 21.599 -29.843 -0.481 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 21.530 -19.267 1.211 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 21.863 -18.616 0.588 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 21.945 -19.022 2.061 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 20.667 -19.834 4.788 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 20.849 -19.675 5.726 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 21.434 -19.433 4.325 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 20.202 -19.002 8.287 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 20.753 -19.797 8.126 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 20.851 -18.287 8.446 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 17.771 -16.775 2.521 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 17.992 -17.643 2.933 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 18.352 -16.725 1.752 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 23.647 -19.390 8.472 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 23.120 -20.076 8.016 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 23.667 -19.692 9.410 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 26.967 -33.045 2.580 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 27.921 -32.961 2.527 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 26.823 -33.672 3.331 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 19.858 -21.424 0.863 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 20.069 -21.899 1.699 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 20.480 -20.662 0.862 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 23.543 -28.116 8.364 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 23.516 -27.941 9.321 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 23.408 -29.092 8.301 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 19.757 -20.024 -3.072 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 19.517 -20.788 -2.506 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 20.537 -20.318 -3.546 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 19.409 -26.535 -0.291 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 19.828 -25.679 -0.134 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 19.176 -26.515 -1.242 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 20.567 -24.495 -2.129 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 21.495 -24.671 -2.309 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 20.088 -25.216 -2.593 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 22.191 -17.147 8.917 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 22.426 -16.638 9.700 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 22.835 -17.889 8.908 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 19.158 -26.688 -3.051 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 19.430 -27.580 -3.306 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 18.326 -26.537 -3.565 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 24.750 -30.631 5.245 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 24.663 -31.327 5.925 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 25.554 -30.136 5.509 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 17.259 -18.899 -2.730 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 18.229 -18.935 -2.854 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 16.969 -19.804 -2.908 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 22.780 -23.219 4.750 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 23.624 -23.610 5.023 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 22.181 -23.413 5.494 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 26.799 -28.894 5.683 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 27.472 -29.079 5.020 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 27.315 -28.592 6.473 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 24.003 -24.829 6.734 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 24.167 -25.701 6.312 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 24.564 -24.843 7.530 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 17.906 -18.867 9.675 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.028 -17.981 10.032 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 18.747 -19.045 9.184 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 20.646 -22.202 3.351 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 20.577 -21.392 3.890 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 21.469 -22.629 3.668 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 24.421 -27.404 5.877 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 25.273 -27.864 5.726 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 24.157 -27.680 6.787 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 20.588 -26.166 5.533 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 20.335 -26.458 6.439 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 20.722 -25.208 5.625 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 23.768 -29.999 2.847 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 24.189 -30.161 3.726 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 23.782 -30.880 2.418 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 22.457 -25.495 9.467 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 22.146 -25.700 10.377 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 22.048 -26.186 8.914 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 28.383 -28.029 7.668 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 28.129 -27.128 7.978 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 29.035 -28.322 8.310 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 21.194 -34.387 4.470 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 20.506 -33.767 4.777 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 21.332 -34.987 5.233 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 23.103 -30.758 8.481 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 22.451 -31.198 9.056 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 23.463 -31.483 7.924 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 16.928 -26.481 -4.573 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 16.473 -26.951 -5.290 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 16.438 -25.638 -4.488 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 26.020 -29.904 -2.275 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 26.817 -29.370 -2.314 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 25.697 -29.788 -1.356 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 16.443 -32.053 -6.533 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 16.613 -32.923 -6.964 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 16.683 -31.407 -7.207 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 24.204 -31.750 -3.309 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 24.841 -31.018 -3.142 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 24.652 -32.312 -3.964 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 15.589 -24.709 15.425 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 16.088 -24.710 16.283 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 14.802 -24.186 15.612 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 16.818 -24.838 17.811 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 17.746 -25.024 18.084 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 16.294 -25.100 18.576 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 20.717 -30.389 17.428 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 21.047 -31.245 17.725 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 21.348 -30.117 16.732 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 23.091 -24.214 13.368 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 23.143 -24.656 14.226 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 22.520 -24.809 12.825 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 19.000 -28.337 17.864 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 19.618 -29.099 17.754 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 18.810 -28.057 16.957 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 13.281 -19.742 12.472 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 13.799 -18.926 12.387 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 12.510 -19.482 12.996 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 22.769 -33.569 15.940 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 23.419 -34.276 15.718 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 22.265 -33.444 15.111 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 23.030 -20.615 10.819 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 22.509 -20.830 11.620 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 23.087 -21.465 10.340 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 18.854 -33.712 19.540 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 19.777 -33.704 19.196 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 18.843 -33.016 20.212 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 27.687 -25.579 8.567 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 28.016 -24.682 8.466 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 26.756 -25.462 8.858 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 21.532 -25.943 11.995 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 21.707 -26.731 12.565 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 20.566 -25.981 11.832 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 20.491 -28.644 10.153 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 21.447 -28.678 10.380 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.037 -28.836 11.004 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 15.953 -27.451 15.293 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 15.600 -27.752 16.160 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 15.734 -26.498 15.268 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 25.290 -23.675 11.751 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 25.817 -23.020 12.219 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 24.531 -23.844 12.348 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 17.641 -25.044 13.652 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 16.937 -24.731 14.256 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 18.042 -25.805 14.131 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 19.313 -24.598 9.626 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 19.288 -23.745 10.069 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 19.105 -25.246 10.337 1.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 23.159 -22.849 9.294 1.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 22.751 -23.732 9.422 1.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 24.099 -23.046 9.148 1.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 21.776 -28.145 13.489 1.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 22.098 -28.517 14.340 1.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 20.932 -28.625 13.324 1.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 18.639 -26.588 21.614 1.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 17.805 -26.067 21.721 1.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 19.052 -26.549 22.483 1.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 21.656 -21.909 12.819 1.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 22.215 -22.674 13.065 1.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 20.968 -21.894 13.490 1.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 23.047 -28.707 11.077 1.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 22.767 -28.506 11.993 1.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 23.534 -29.541 11.158 1.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 15.125 -17.563 12.070 1.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 14.726 -16.711 11.793 1.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 15.076 -17.536 13.055 1.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 20.093 -26.765 8.164 1.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 20.128 -27.506 8.812 1.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 19.664 -26.034 8.658 1.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 18.563 -27.387 14.578 1.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 18.819 -28.113 13.971 1.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 17.626 -27.583 14.810 1.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 21.724 -21.197 7.649 1.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 22.165 -21.768 8.317 1.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 21.402 -21.826 6.982 1.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 21.407 -23.945 7.008 1.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 22.314 -24.321 7.098 1.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 20.955 -24.215 7.824 1.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 16.341 -20.035 11.603 1.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 15.991 -19.186 11.932 1.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 16.959 -19.776 10.886 1.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 15.645 -27.546 23.528 1.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 14.675 -27.584 23.637 1.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 15.921 -28.485 23.533 1.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 15.397 -29.633 20.028 1.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 16.339 -29.398 20.189 1.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 15.387 -30.616 20.070 1.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 19.085 -25.823 18.991 1.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 19.179 -26.709 18.585 1.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 19.038 -26.004 19.949 1.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 22.672 -29.738 15.509 1.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 22.947 -30.184 14.681 1.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 23.217 -30.171 16.205 1.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 18.875 -26.390 11.618 1.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 18.894 -27.330 11.891 1.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 18.418 -25.934 12.359 1.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 25.150 -24.944 9.341 1.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 24.277 -25.379 9.443 1.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 25.330 -24.555 10.231 1.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 17.983 -31.378 21.697 1.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 18.165 -30.529 21.234 1.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 18.528 -31.327 22.517 1.00 0.00 WAT1 END