REMARK FILENAME="/farm/data/gliu/projects/HR5537/cns/calc18mod1_hb1/refinedPD" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -36.4892, 88.4586, 129.103, 51.4176, 621.411, -462.561, -477.504, 12.0356, 1.15081 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.554534E-03,0.476579,1.15045,42.8136,7.61687E-03,0.331395 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 47, 14 REMARK =============================================================== REMARK DATE:19-Jun-2009 21:48:13 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 16.430 -22.083 10.806 1.00 32.12 ATOM 2 CB MET 1 14.363 -22.278 10.269 1.00 54.20 ATOM 3 HB1 MET 1 13.404 -21.996 10.683 1.00 38.15 ATOM 4 HB2 MET 1 14.411 -23.357 10.210 1.00 54.13 ATOM 5 CG MET 1 14.455 -21.719 8.853 1.00 65.22 ATOM 6 HG1 MET 1 15.443 -21.920 8.462 1.00 38.15 ATOM 7 HG2 MET 1 14.295 -20.652 8.890 1.00 64.13 ATOM 8 SD MET 1 13.234 -22.445 7.738 1.00 62.41 ATOM 9 CE MET 1 13.746 -24.163 7.742 1.00 62.13 ATOM 10 HE1 MET 1 13.707 -24.548 8.750 1.00 35.32 ATOM 11 HE2 MET 1 14.755 -24.240 7.367 1.00 43.20 ATOM 12 HE3 MET 1 13.084 -24.738 7.113 1.00 72.01 ATOM 13 C MET 1 15.442 -20.252 11.318 1.00 4.24 ATOM 14 O MET 1 14.377 -19.642 11.447 1.00 53.34 ATOM 15 N MET 1 15.324 -22.426 12.547 1.00 34.52 ATOM 16 HT1 MET 1 14.391 -22.200 12.953 1.00 38.15 ATOM 17 HT2 MET 1 16.059 -22.081 13.196 1.00 38.15 ATOM 18 HT3 MET 1 15.412 -23.460 12.461 1.00 38.15 ATOM 19 CA MET 1 15.472 -21.786 11.211 1.00 32.34 ATOM 20 N GLY 2 16.621 -19.634 11.272 1.00 1.43 ATOM 21 HN GLY 2 17.440 -20.172 11.185 1.00 38.15 ATOM 22 CA GLY 2 16.716 -18.179 11.364 1.00 3.02 ATOM 23 HA1 GLY 2 17.055 -17.918 12.356 1.00 38.15 ATOM 24 HA2 GLY 2 15.736 -17.749 11.210 1.00 53.32 ATOM 25 C GLY 2 17.679 -17.580 10.343 1.00 64.23 ATOM 26 O GLY 2 18.868 -17.408 10.627 1.00 30.52 ATOM 27 N HIS 3 17.167 -17.272 9.149 1.00 42.31 ATOM 28 HN HIS 3 16.214 -17.446 8.987 1.00 38.15 ATOM 29 CA HIS 3 17.968 -16.663 8.073 1.00 41.45 ATOM 30 HA HIS 3 18.765 -16.095 8.538 1.00 32.10 ATOM 31 CB HIS 3 18.590 -17.741 7.166 1.00 4.30 ATOM 32 HB1 HIS 3 19.033 -17.263 6.303 1.00 38.15 ATOM 33 HB2 HIS 3 17.814 -18.415 6.836 1.00 14.33 ATOM 34 CG HIS 3 19.655 -18.558 7.835 1.00 15.45 ATOM 35 ND1 HIS 3 20.924 -18.079 8.070 1.00 41.53 ATOM 36 HD1 HIS 3 21.258 -17.190 7.823 1.00 10.52 ATOM 37 CD2 HIS 3 19.636 -19.821 8.327 1.00 21.24 ATOM 38 HD2 HIS 3 18.797 -20.500 8.319 1.00 62.41 ATOM 39 CE1 HIS 3 21.638 -19.005 8.674 1.00 35.35 ATOM 40 HE1 HIS 3 22.667 -18.905 8.982 1.00 62.01 ATOM 41 NE2 HIS 3 20.884 -20.071 8.843 1.00 22.53 ATOM 42 HE2 HIS 3 21.226 -20.958 9.085 1.00 38.15 ATOM 43 C HIS 3 17.119 -15.704 7.222 1.00 0.34 ATOM 44 O HIS 3 16.179 -16.126 6.545 1.00 44.54 ATOM 45 N HIS 4 17.458 -14.417 7.257 1.00 35.21 ATOM 46 HN HIS 4 18.202 -14.138 7.832 1.00 38.15 ATOM 47 CA HIS 4 16.742 -13.402 6.474 1.00 0.20 ATOM 48 HA HIS 4 15.686 -13.526 6.674 1.00 70.31 ATOM 49 CB HIS 4 17.160 -11.994 6.917 1.00 65.33 ATOM 50 HB1 HIS 4 16.759 -11.269 6.222 1.00 38.15 ATOM 51 HB2 HIS 4 18.237 -11.926 6.915 1.00 65.32 ATOM 52 CG HIS 4 16.680 -11.629 8.288 1.00 53.13 ATOM 53 ND1 HIS 4 17.506 -11.567 9.390 1.00 4.11 ATOM 54 HD1 HIS 4 18.467 -11.756 9.399 1.00 51.31 ATOM 55 CD2 HIS 4 15.445 -11.294 8.732 1.00 72.01 ATOM 56 HD2 HIS 4 14.544 -11.238 8.137 1.00 72.31 ATOM 57 CE1 HIS 4 16.804 -11.212 10.446 1.00 1.11 ATOM 58 HE1 HIS 4 17.189 -11.084 11.446 1.00 33.41 ATOM 59 NE2 HIS 4 15.553 -11.040 10.074 1.00 52.23 ATOM 60 HE2 HIS 4 14.849 -10.653 10.638 1.00 38.15 ATOM 61 C HIS 4 16.971 -13.570 4.960 1.00 20.24 ATOM 62 O HIS 4 17.990 -14.115 4.525 1.00 64.12 ATOM 63 N HIS 5 16.010 -13.095 4.166 1.00 2.52 ATOM 64 HN HIS 5 15.224 -12.676 4.576 1.00 38.15 ATOM 65 CA HIS 5 16.078 -13.203 2.705 1.00 30.42 ATOM 66 HA HIS 5 16.200 -14.252 2.466 1.00 14.01 ATOM 67 CB HIS 5 14.763 -12.712 2.069 1.00 51.21 ATOM 68 HB1 HIS 5 13.939 -13.249 2.517 1.00 38.15 ATOM 69 HB2 HIS 5 14.784 -12.925 1.010 1.00 2.34 ATOM 70 CG HIS 5 14.495 -11.242 2.234 1.00 41.20 ATOM 71 ND1 HIS 5 14.599 -10.340 1.194 1.00 4.53 ATOM 72 HD1 HIS 5 14.849 -10.554 0.273 1.00 35.32 ATOM 73 CD2 HIS 5 14.115 -10.517 3.314 1.00 71.44 ATOM 74 HD2 HIS 5 13.929 -10.899 4.308 1.00 40.52 ATOM 75 CE1 HIS 5 14.299 -9.133 1.628 1.00 13.50 ATOM 76 HE1 HIS 5 14.292 -8.233 1.032 1.00 25.13 ATOM 77 NE2 HIS 5 14.001 -9.209 2.907 1.00 71.13 ATOM 78 HE2 HIS 5 13.959 -8.433 3.512 1.00 38.15 ATOM 79 C HIS 5 17.279 -12.433 2.125 1.00 24.12 ATOM 80 O HIS 5 17.336 -11.205 2.177 1.00 41.11 ATOM 81 N HIS 6 18.238 -13.169 1.571 1.00 33.31 ATOM 82 HN HIS 6 18.153 -14.144 1.587 1.00 38.15 ATOM 83 CA HIS 6 19.422 -12.569 0.948 1.00 44.35 ATOM 84 HA HIS 6 19.667 -11.678 1.508 1.00 53.11 ATOM 85 CB HIS 6 20.607 -13.538 1.034 1.00 61.53 ATOM 86 HB1 HIS 6 21.415 -13.171 0.417 1.00 38.15 ATOM 87 HB2 HIS 6 20.299 -14.511 0.676 1.00 74.52 ATOM 88 CG HIS 6 21.125 -13.700 2.430 1.00 1.33 ATOM 89 ND1 HIS 6 20.499 -14.471 3.382 1.00 1.33 ATOM 90 HD1 HIS 6 19.673 -14.986 3.252 1.00 4.33 ATOM 91 CD2 HIS 6 22.205 -13.159 3.043 1.00 74.01 ATOM 92 HD2 HIS 6 22.933 -12.498 2.593 1.00 60.11 ATOM 93 CE1 HIS 6 21.165 -14.398 4.516 1.00 15.01 ATOM 94 HE1 HIS 6 20.905 -14.904 5.434 1.00 3.03 ATOM 95 NE2 HIS 6 22.205 -13.607 4.343 1.00 72.54 ATOM 96 HE2 HIS 6 22.704 -13.185 5.075 1.00 38.15 ATOM 97 C HIS 6 19.163 -12.161 -0.512 1.00 52.44 ATOM 98 O HIS 6 20.048 -11.633 -1.183 1.00 73.10 ATOM 99 N HIS 7 17.952 -12.411 -1.006 1.00 73.11 ATOM 100 HN HIS 7 17.315 -12.931 -0.473 1.00 38.15 ATOM 101 CA HIS 7 17.564 -11.936 -2.339 1.00 45.23 ATOM 102 HA HIS 7 18.317 -12.273 -3.040 1.00 42.43 ATOM 103 CB HIS 7 16.207 -12.514 -2.759 1.00 65.05 ATOM 104 HB1 HIS 7 15.911 -12.071 -3.701 1.00 38.15 ATOM 105 HB2 HIS 7 15.473 -12.261 -2.008 1.00 0.05 ATOM 106 CG HIS 7 16.194 -14.005 -2.928 1.00 64.14 ATOM 107 ND1 HIS 7 15.308 -14.828 -2.269 1.00 32.20 ATOM 108 HD1 HIS 7 14.638 -14.538 -1.612 1.00 63.34 ATOM 109 CD2 HIS 7 16.932 -14.818 -3.722 1.00 54.54 ATOM 110 HD2 HIS 7 17.732 -14.516 -4.384 1.00 51.13 ATOM 111 CE1 HIS 7 15.497 -16.074 -2.647 1.00 54.14 ATOM 112 HE1 HIS 7 14.940 -16.931 -2.299 1.00 70.51 ATOM 113 NE2 HIS 7 16.474 -16.099 -3.529 1.00 4.15 ATOM 114 HE2 HIS 7 16.695 -16.872 -4.093 1.00 38.15 ATOM 115 C HIS 7 17.510 -10.398 -2.383 1.00 12.42 ATOM 116 O HIS 7 16.486 -9.788 -2.060 1.00 43.32 ATOM 117 N HIS 8 18.634 -9.782 -2.744 1.00 14.00 ATOM 118 HN HIS 8 19.440 -10.322 -2.897 1.00 38.15 ATOM 119 CA HIS 8 18.711 -8.327 -2.910 1.00 53.42 ATOM 120 HA HIS 8 17.696 -7.951 -2.971 1.00 53.33 ATOM 121 CB HIS 8 19.401 -7.676 -1.700 1.00 4.31 ATOM 122 HB1 HIS 8 18.747 -7.757 -0.842 1.00 38.15 ATOM 123 HB2 HIS 8 19.570 -6.631 -1.910 1.00 45.21 ATOM 124 CG HIS 8 20.723 -8.285 -1.328 1.00 11.14 ATOM 125 ND1 HIS 8 21.862 -8.170 -2.101 1.00 15.02 ATOM 126 HD1 HIS 8 21.932 -7.696 -2.958 1.00 41.53 ATOM 127 CD2 HIS 8 21.085 -9.009 -0.244 1.00 72.51 ATOM 128 HD2 HIS 8 20.445 -9.295 0.578 1.00 24.32 ATOM 129 CE1 HIS 8 22.859 -8.796 -1.508 1.00 24.04 ATOM 130 HE1 HIS 8 23.870 -8.872 -1.881 1.00 61.41 ATOM 131 NE2 HIS 8 22.413 -9.310 -0.384 1.00 2.33 ATOM 132 HE2 HIS 8 22.936 -9.876 0.228 1.00 38.15 ATOM 133 C HIS 8 19.438 -7.960 -4.213 1.00 21.03 ATOM 134 O HIS 8 20.478 -8.535 -4.534 1.00 11.23 ATOM 135 N SER 9 18.874 -6.999 -4.949 1.00 12.55 ATOM 136 HN SER 9 18.084 -6.539 -4.593 1.00 38.15 ATOM 137 CA SER 9 19.385 -6.594 -6.274 1.00 60.13 ATOM 138 HA SER 9 18.809 -5.733 -6.583 1.00 44.43 ATOM 139 CB SER 9 20.869 -6.189 -6.206 1.00 31.11 ATOM 140 HB1 SER 9 21.214 -5.922 -7.195 1.00 38.15 ATOM 141 HB2 SER 9 21.452 -7.020 -5.836 1.00 53.24 ATOM 142 OG SER 9 21.062 -5.076 -5.341 1.00 72.13 ATOM 143 HG SER 9 21.627 -5.342 -4.605 1.00 51.54 ATOM 144 C SER 9 19.179 -7.703 -7.321 1.00 1.33 ATOM 145 O SER 9 19.824 -7.715 -8.371 1.00 51.13 ATOM 146 N HIS 10 18.256 -8.620 -7.033 1.00 51.41 ATOM 147 HN HIS 10 17.788 -8.563 -6.172 1.00 38.15 ATOM 148 CA HIS 10 17.900 -9.700 -7.959 1.00 5.24 ATOM 149 HA HIS 10 17.812 -9.270 -8.948 1.00 20.51 ATOM 150 CB HIS 10 18.989 -10.787 -7.984 1.00 75.23 ATOM 151 HB1 HIS 10 19.045 -11.257 -7.012 1.00 38.15 ATOM 152 HB2 HIS 10 19.942 -10.329 -8.211 1.00 4.31 ATOM 153 CG HIS 10 18.738 -11.859 -9.005 1.00 35.33 ATOM 154 ND1 HIS 10 17.756 -12.818 -8.868 1.00 53.31 ATOM 155 HD1 HIS 10 17.122 -12.887 -8.124 1.00 32.30 ATOM 156 CD2 HIS 10 19.343 -12.119 -10.192 1.00 62.00 ATOM 157 HD2 HIS 10 20.158 -11.561 -10.633 1.00 33.13 ATOM 158 CE1 HIS 10 17.768 -13.616 -9.915 1.00 11.13 ATOM 159 HE1 HIS 10 17.110 -14.457 -10.075 1.00 14.42 ATOM 160 NE2 HIS 10 18.718 -13.215 -10.732 1.00 1.34 ATOM 161 HE2 HIS 10 18.843 -13.547 -11.645 1.00 38.15 ATOM 162 C HIS 10 16.548 -10.322 -7.569 1.00 3.15 ATOM 163 O HIS 10 16.390 -10.831 -6.457 1.00 2.44 ATOM 164 N MET 11 15.587 -10.292 -8.495 1.00 11.11 ATOM 165 HN MET 11 15.790 -9.898 -9.371 1.00 38.15 ATOM 166 CA MET 11 14.236 -10.823 -8.244 1.00 62.12 ATOM 167 HA MET 11 13.797 -10.224 -7.457 1.00 72.53 ATOM 168 CB MET 11 13.366 -10.677 -9.504 1.00 34.50 ATOM 169 HB1 MET 11 13.174 -9.628 -9.674 1.00 38.15 ATOM 170 HB2 MET 11 12.424 -11.179 -9.337 1.00 14.45 ATOM 171 CG MET 11 13.993 -11.256 -10.764 1.00 31.51 ATOM 172 HG1 MET 11 14.179 -12.309 -10.609 1.00 38.15 ATOM 173 HG2 MET 11 14.930 -10.750 -10.951 1.00 63.32 ATOM 174 SD MET 11 12.938 -11.062 -12.216 1.00 62.11 ATOM 175 CE MET 11 12.780 -9.278 -12.292 1.00 74.24 ATOM 176 HE1 MET 11 13.761 -8.833 -12.380 1.00 52.01 ATOM 177 HE2 MET 11 12.303 -8.919 -11.392 1.00 41.54 ATOM 178 HE3 MET 11 12.183 -9.005 -13.149 1.00 32.33 ATOM 179 C MET 11 14.263 -12.291 -7.772 1.00 73.13 ATOM 180 O MET 11 15.199 -13.038 -8.066 1.00 22.43 ATOM 181 N ALA 12 13.229 -12.694 -7.032 1.00 41.22 ATOM 182 HN ALA 12 12.479 -12.078 -6.890 1.00 38.15 ATOM 183 CA ALA 12 13.184 -14.026 -6.410 1.00 2.03 ATOM 184 HA ALA 12 14.060 -14.579 -6.726 1.00 32.44 ATOM 185 CB ALA 12 13.250 -13.871 -4.895 1.00 71.52 ATOM 186 HB1 ALA 12 14.147 -13.330 -4.627 1.00 65.42 ATOM 187 HB2 ALA 12 13.267 -14.848 -4.432 1.00 25.41 ATOM 188 HB3 ALA 12 12.384 -13.324 -4.552 1.00 2.02 ATOM 189 C ALA 12 11.928 -14.823 -6.804 1.00 72.33 ATOM 190 O ALA 12 11.455 -15.665 -6.036 1.00 23.43 ATOM 191 N ASN 13 11.407 -14.585 -8.005 1.00 44.53 ATOM 192 HN ASN 13 11.832 -13.919 -8.587 1.00 38.15 ATOM 193 CA ASN 13 10.221 -15.310 -8.489 1.00 74.30 ATOM 194 HA ASN 13 9.543 -15.436 -7.654 1.00 3.24 ATOM 195 CB ASN 13 9.513 -14.506 -9.589 1.00 33.40 ATOM 196 HB1 ASN 13 8.571 -14.983 -9.826 1.00 38.15 ATOM 197 HB2 ASN 13 10.134 -14.494 -10.473 1.00 52.12 ATOM 198 CG ASN 13 9.234 -13.069 -9.181 1.00 22.23 ATOM 199 OD1 ASN 13 8.201 -12.759 -8.593 1.00 62.34 ATOM 200 ND2 ASN 13 10.150 -12.176 -9.503 1.00 23.25 ATOM 201 HD21 ASN 13 10.948 -12.483 -9.983 1.00 54.40 ATOM 202 HD22 ASN 13 9.992 -11.243 -9.248 1.00 24.41 ATOM 203 C ASN 13 10.615 -16.703 -9.020 1.00 5.34 ATOM 204 O ASN 13 10.330 -17.057 -10.168 1.00 35.44 ATOM 205 N GLY 14 11.257 -17.497 -8.165 1.00 55.21 ATOM 206 HN GLY 14 11.366 -17.204 -7.236 1.00 38.15 ATOM 207 CA GLY 14 11.784 -18.795 -8.576 1.00 62.41 ATOM 208 HA1 GLY 14 11.299 -19.100 -9.493 1.00 38.15 ATOM 209 HA2 GLY 14 11.557 -19.519 -7.807 1.00 51.50 ATOM 210 C GLY 14 13.295 -18.776 -8.800 1.00 2.14 ATOM 211 O GLY 14 13.783 -19.151 -9.869 1.00 73.34 ATOM 212 N ALA 15 14.041 -18.339 -7.790 1.00 1.12 ATOM 213 HN ALA 15 13.599 -18.058 -6.961 1.00 38.15 ATOM 214 CA ALA 15 15.505 -18.269 -7.876 1.00 20.11 ATOM 215 HA ALA 15 15.829 -18.956 -8.649 1.00 4.22 ATOM 216 CB ALA 15 15.940 -16.862 -8.279 1.00 22.33 ATOM 217 HB1 ALA 15 15.494 -16.605 -9.230 1.00 30.01 ATOM 218 HB2 ALA 15 17.017 -16.826 -8.366 1.00 2.41 ATOM 219 HB3 ALA 15 15.616 -16.156 -7.528 1.00 10.31 ATOM 220 C ALA 15 16.159 -18.675 -6.547 1.00 44.12 ATOM 221 O ALA 15 16.144 -17.913 -5.575 1.00 53.14 ATOM 222 N ALA 16 16.727 -19.881 -6.508 1.00 54.33 ATOM 223 HN ALA 16 16.729 -20.435 -7.321 1.00 38.15 ATOM 224 CA ALA 16 17.354 -20.406 -5.289 1.00 42.15 ATOM 225 HA ALA 16 16.635 -20.314 -4.485 1.00 2.34 ATOM 226 CB ALA 16 17.681 -21.887 -5.456 1.00 34.44 ATOM 227 HB1 ALA 16 18.067 -22.279 -4.525 1.00 14.30 ATOM 228 HB2 ALA 16 18.424 -22.009 -6.232 1.00 64.13 ATOM 229 HB3 ALA 16 16.785 -22.426 -5.729 1.00 73.34 ATOM 230 C ALA 16 18.621 -19.621 -4.909 1.00 25.44 ATOM 231 O ALA 16 19.494 -19.377 -5.747 1.00 3.14 ATOM 232 N GLY 17 18.718 -19.240 -3.637 1.00 44.14 ATOM 233 HN GLY 17 17.997 -19.472 -3.011 1.00 38.15 ATOM 234 CA GLY 17 19.880 -18.498 -3.158 1.00 73.51 ATOM 235 HA1 GLY 17 19.669 -18.127 -2.165 1.00 38.15 ATOM 236 HA2 GLY 17 20.049 -17.657 -3.812 1.00 24.23 ATOM 237 C GLY 17 21.148 -19.343 -3.105 1.00 55.34 ATOM 238 O GLY 17 22.257 -18.813 -3.033 1.00 54.44 ATOM 239 N THR 18 20.971 -20.659 -3.156 1.00 71.44 ATOM 240 HN THR 18 20.058 -21.005 -3.215 1.00 38.15 ATOM 241 CA THR 18 22.081 -21.619 -3.116 1.00 5.42 ATOM 242 HA THR 18 22.491 -21.617 -2.117 1.00 63.14 ATOM 243 CB THR 18 21.586 -23.045 -3.433 1.00 22.10 ATOM 244 HB THR 18 22.438 -23.702 -3.471 1.00 53.14 ATOM 245 OG1 THR 18 20.927 -23.068 -4.710 1.00 21.02 ATOM 246 HG1 THR 18 20.459 -23.905 -4.813 1.00 61.31 ATOM 247 CG2 THR 18 20.637 -23.548 -2.361 1.00 60.44 ATOM 248 HG21 THR 18 19.768 -22.910 -2.325 1.00 30.31 ATOM 249 HG22 THR 18 21.137 -23.533 -1.404 1.00 33.23 ATOM 250 HG23 THR 18 20.335 -24.558 -2.595 1.00 45.25 ATOM 251 C THR 18 23.190 -21.290 -4.114 1.00 40.10 ATOM 252 O THR 18 24.375 -21.450 -3.815 1.00 23.12 ATOM 253 N LYS 19 22.806 -20.854 -5.307 1.00 15.32 ATOM 254 HN LYS 19 21.854 -20.692 -5.471 1.00 38.15 ATOM 255 CA LYS 19 23.776 -20.633 -6.377 1.00 23.12 ATOM 256 HA LYS 19 24.725 -20.999 -6.016 1.00 32.22 ATOM 257 CB LYS 19 23.387 -21.456 -7.617 1.00 73.45 ATOM 258 HB1 LYS 19 23.419 -22.506 -7.359 1.00 38.15 ATOM 259 HB2 LYS 19 24.108 -21.269 -8.401 1.00 10.41 ATOM 260 CG LYS 19 21.994 -21.143 -8.162 1.00 15.14 ATOM 261 HG1 LYS 19 21.948 -20.094 -8.424 1.00 38.15 ATOM 262 HG2 LYS 19 21.263 -21.352 -7.393 1.00 45.03 ATOM 263 CD LYS 19 21.661 -21.976 -9.396 1.00 54.12 ATOM 264 HD1 LYS 19 21.679 -23.023 -9.126 1.00 38.15 ATOM 265 HD2 LYS 19 22.404 -21.788 -10.160 1.00 43.34 ATOM 266 CE LYS 19 20.282 -21.631 -9.951 1.00 72.25 ATOM 267 HE1 LYS 19 20.275 -20.592 -10.254 1.00 38.15 ATOM 268 HE2 LYS 19 19.547 -21.783 -9.176 1.00 3.33 ATOM 269 NZ LYS 19 19.926 -22.474 -11.120 1.00 20.43 ATOM 270 HZ1 LYS 19 20.638 -22.367 -11.870 1.00 63.51 ATOM 271 HZ2 LYS 19 19.000 -22.190 -11.497 1.00 2.01 ATOM 272 HZ3 LYS 19 19.881 -23.474 -10.840 1.00 63.12 ATOM 273 C LYS 19 23.941 -19.144 -6.757 1.00 4.34 ATOM 274 O LYS 19 25.049 -18.611 -6.733 1.00 54.21 ATOM 275 N VAL 20 22.840 -18.467 -7.091 1.00 73.20 ATOM 276 HN VAL 20 21.960 -18.865 -6.918 1.00 38.15 ATOM 277 CA VAL 20 22.917 -17.137 -7.720 1.00 44.23 ATOM 278 HA VAL 20 23.812 -17.121 -8.310 1.00 62.23 ATOM 279 CB VAL 20 21.713 -16.907 -8.671 1.00 34.42 ATOM 280 HB VAL 20 21.641 -17.765 -9.327 1.00 21.33 ATOM 281 CG1 VAL 20 20.404 -16.815 -7.887 1.00 3.13 ATOM 282 HG11 VAL 20 20.448 -15.978 -7.206 1.00 2.10 ATOM 283 HG12 VAL 20 20.254 -17.726 -7.326 1.00 2.32 ATOM 284 HG13 VAL 20 19.581 -16.677 -8.574 1.00 71.45 ATOM 285 CG2 VAL 20 21.927 -15.670 -9.543 1.00 4.25 ATOM 286 HG21 VAL 20 22.011 -14.795 -8.915 1.00 55.30 ATOM 287 HG22 VAL 20 21.090 -15.553 -10.215 1.00 65.35 ATOM 288 HG23 VAL 20 22.836 -15.787 -10.118 1.00 61.55 ATOM 289 C VAL 20 23.009 -15.985 -6.707 1.00 10.11 ATOM 290 O VAL 20 23.273 -14.836 -7.071 1.00 31.00 ATOM 291 N ALA 21 22.825 -16.294 -5.441 1.00 45.52 ATOM 292 HN ALA 21 22.694 -17.231 -5.203 1.00 38.15 ATOM 293 CA ALA 21 22.835 -15.263 -4.393 1.00 44.22 ATOM 294 HA ALA 21 22.241 -14.429 -4.747 1.00 43.53 ATOM 295 CB ALA 21 22.191 -15.786 -3.116 1.00 23.30 ATOM 296 HB1 ALA 21 22.779 -16.604 -2.724 1.00 70.03 ATOM 297 HB2 ALA 21 21.191 -16.134 -3.333 1.00 63.31 ATOM 298 HB3 ALA 21 22.144 -14.992 -2.384 1.00 43.11 ATOM 299 C ALA 21 24.258 -14.766 -4.100 1.00 74.31 ATOM 300 O ALA 21 24.518 -13.562 -4.094 1.00 62.43 ATOM 301 N LEU 22 25.177 -15.702 -3.877 1.00 62.02 ATOM 302 HN LEU 22 24.921 -16.646 -3.950 1.00 38.15 ATOM 303 CA LEU 22 26.563 -15.367 -3.515 1.00 15.30 ATOM 304 HA LEU 22 26.541 -14.462 -2.924 1.00 34.32 ATOM 305 CB LEU 22 27.160 -16.496 -2.660 1.00 22.11 ATOM 306 HB1 LEU 22 28.157 -16.204 -2.358 1.00 38.15 ATOM 307 HB2 LEU 22 27.235 -17.384 -3.274 1.00 34.30 ATOM 308 CG LEU 22 26.361 -16.851 -1.393 1.00 54.31 ATOM 309 HG LEU 22 25.374 -17.184 -1.685 1.00 23.53 ATOM 310 CD1 LEU 22 27.028 -17.996 -0.636 1.00 62.34 ATOM 311 HD11 LEU 22 26.463 -18.213 0.259 1.00 3.32 ATOM 312 HD12 LEU 22 28.036 -17.715 -0.366 1.00 60.11 ATOM 313 HD13 LEU 22 27.056 -18.875 -1.264 1.00 12.32 ATOM 314 CD2 LEU 22 26.195 -15.627 -0.493 1.00 44.43 ATOM 315 HD21 LEU 22 25.622 -14.874 -1.013 1.00 61.52 ATOM 316 HD22 LEU 22 27.167 -15.228 -0.238 1.00 1.54 ATOM 317 HD23 LEU 22 25.676 -15.913 0.411 1.00 52.34 ATOM 318 C LEU 22 27.449 -15.122 -4.753 1.00 11.42 ATOM 319 O LEU 22 28.649 -14.870 -4.627 1.00 63.33 ATOM 320 N ARG 23 26.859 -15.180 -5.946 1.00 11.32 ATOM 321 HN ARG 23 25.895 -15.332 -5.992 1.00 38.15 ATOM 322 CA ARG 23 27.622 -15.016 -7.192 1.00 71.14 ATOM 323 HA ARG 23 28.645 -15.295 -6.987 1.00 52.34 ATOM 324 CB ARG 23 27.063 -15.958 -8.282 1.00 25.32 ATOM 325 HB1 ARG 23 26.287 -15.436 -8.825 1.00 38.15 ATOM 326 HB2 ARG 23 26.622 -16.817 -7.797 1.00 4.20 ATOM 327 CG ARG 23 28.094 -16.474 -9.299 1.00 14.24 ATOM 328 HG1 ARG 23 27.703 -17.374 -9.755 1.00 38.15 ATOM 329 HG2 ARG 23 29.007 -16.715 -8.774 1.00 11.22 ATOM 330 CD ARG 23 28.424 -15.468 -10.407 1.00 5.23 ATOM 331 HD1 ARG 23 27.498 -15.058 -10.786 1.00 38.15 ATOM 332 HD2 ARG 23 28.929 -15.992 -11.205 1.00 65.51 ATOM 333 NE ARG 23 29.282 -14.367 -9.962 1.00 14.12 ATOM 334 HE ARG 23 29.618 -14.391 -9.045 1.00 33.44 ATOM 335 CZ ARG 23 29.611 -13.348 -10.712 1.00 75.50 ATOM 336 NH1 ARG 23 29.233 -13.288 -11.950 1.00 32.14 ATOM 337 HH11 ARG 23 28.681 -14.022 -12.340 1.00 71.33 ATOM 338 HH12 ARG 23 29.499 -12.509 -12.514 1.00 40.13 ATOM 339 NH2 ARG 23 30.347 -12.403 -10.228 1.00 12.12 ATOM 340 HH21 ARG 23 30.660 -12.450 -9.282 1.00 44.22 ATOM 341 HH22 ARG 23 30.591 -11.621 -10.801 1.00 31.31 ATOM 342 C ARG 23 27.604 -13.548 -7.662 1.00 33.21 ATOM 343 O ARG 23 26.911 -13.194 -8.619 1.00 55.34 ATOM 344 N LYS 24 28.328 -12.689 -6.937 1.00 42.12 ATOM 345 HN LYS 24 28.717 -13.000 -6.097 1.00 38.15 ATOM 346 CA LYS 24 28.500 -11.275 -7.316 1.00 44.44 ATOM 347 HA LYS 24 28.268 -11.181 -8.369 1.00 35.24 ATOM 348 CB LYS 24 27.521 -10.409 -6.520 1.00 64.53 ATOM 349 HB1 LYS 24 27.741 -9.366 -6.701 1.00 38.15 ATOM 350 HB2 LYS 24 27.652 -10.617 -5.467 1.00 30.14 ATOM 351 CG LYS 24 26.063 -10.660 -6.878 1.00 63.12 ATOM 352 HG1 LYS 24 25.441 -10.182 -6.142 1.00 38.15 ATOM 353 HG2 LYS 24 25.879 -11.726 -6.865 1.00 4.54 ATOM 354 CD LYS 24 25.717 -10.116 -8.267 1.00 5.01 ATOM 355 HD1 LYS 24 26.437 -10.494 -8.983 1.00 38.15 ATOM 356 HD2 LYS 24 25.770 -9.037 -8.242 1.00 53.54 ATOM 357 CE LYS 24 24.316 -10.527 -8.711 1.00 11.42 ATOM 358 HE1 LYS 24 24.117 -10.096 -9.682 1.00 38.15 ATOM 359 HE2 LYS 24 23.597 -10.149 -7.999 1.00 0.43 ATOM 360 NZ LYS 24 24.173 -12.006 -8.802 1.00 73.05 ATOM 361 HZ1 LYS 24 24.157 -12.421 -7.849 1.00 53.22 ATOM 362 HZ2 LYS 24 24.973 -12.414 -9.331 1.00 44.13 ATOM 363 HZ3 LYS 24 23.289 -12.252 -9.292 1.00 23.23 ATOM 364 C LYS 24 29.944 -10.778 -7.083 1.00 74.33 ATOM 365 O LYS 24 30.642 -10.398 -8.025 1.00 32.01 ATOM 366 N THR 25 30.383 -10.780 -5.824 1.00 61.44 ATOM 367 HN THR 25 29.807 -11.150 -5.122 1.00 38.15 ATOM 368 CA THR 25 31.705 -10.245 -5.450 1.00 50.51 ATOM 369 HA THR 25 31.918 -9.399 -6.089 1.00 2.01 ATOM 370 CB THR 25 31.715 -9.754 -3.979 1.00 61.31 ATOM 371 HB THR 25 32.659 -9.264 -3.785 1.00 42.20 ATOM 372 OG1 THR 25 31.575 -10.871 -3.078 1.00 33.41 ATOM 373 HG1 THR 25 32.416 -11.349 -3.026 1.00 32.44 ATOM 374 CG2 THR 25 30.589 -8.753 -3.728 1.00 30.03 ATOM 375 HG21 THR 25 30.716 -7.897 -4.376 1.00 13.54 ATOM 376 HG22 THR 25 30.616 -8.431 -2.697 1.00 13.13 ATOM 377 HG23 THR 25 29.637 -9.222 -3.932 1.00 53.20 ATOM 378 C THR 25 32.826 -11.284 -5.613 1.00 73.40 ATOM 379 O THR 25 32.585 -12.420 -6.030 1.00 73.11 ATOM 380 N LYS 26 34.061 -10.878 -5.288 1.00 62.23 ATOM 381 HN LYS 26 34.208 -9.932 -5.075 1.00 38.15 ATOM 382 CA LYS 26 35.200 -11.805 -5.238 1.00 74.13 ATOM 383 HA LYS 26 35.167 -12.422 -6.124 1.00 33.21 ATOM 384 CB LYS 26 36.538 -11.035 -5.209 1.00 33.14 ATOM 385 HB1 LYS 26 37.341 -11.750 -5.102 1.00 38.15 ATOM 386 HB2 LYS 26 36.541 -10.385 -4.347 1.00 53.54 ATOM 387 CG LYS 26 36.826 -10.177 -6.449 1.00 44.42 ATOM 388 HG1 LYS 26 36.214 -9.288 -6.412 1.00 38.15 ATOM 389 HG2 LYS 26 36.586 -10.747 -7.335 1.00 71.21 ATOM 390 CD LYS 26 38.304 -9.766 -6.505 1.00 21.03 ATOM 391 HD1 LYS 26 38.909 -10.661 -6.572 1.00 38.15 ATOM 392 HD2 LYS 26 38.553 -9.239 -5.596 1.00 24.45 ATOM 393 CE LYS 26 38.631 -8.863 -7.697 1.00 52.11 ATOM 394 HE1 LYS 26 38.147 -9.259 -8.578 1.00 38.15 ATOM 395 HE2 LYS 26 39.701 -8.864 -7.848 1.00 63.21 ATOM 396 NZ LYS 26 38.182 -7.460 -7.487 1.00 34.22 ATOM 397 HZ1 LYS 26 37.146 -7.409 -7.489 1.00 63.21 ATOM 398 HZ2 LYS 26 38.551 -6.844 -8.242 1.00 3.42 ATOM 399 HZ3 LYS 26 38.533 -7.107 -6.575 1.00 41.22 ATOM 400 C LYS 26 35.099 -12.718 -3.998 1.00 32.34 ATOM 401 O LYS 26 34.255 -12.496 -3.124 1.00 15.04 ATOM 402 N GLN 27 35.961 -13.738 -3.917 1.00 72.03 ATOM 403 HN GLN 27 36.627 -13.856 -4.620 1.00 38.15 ATOM 404 CA GLN 27 35.921 -14.691 -2.793 1.00 42.00 ATOM 405 HA GLN 27 35.151 -14.345 -2.114 1.00 74.53 ATOM 406 CB GLN 27 35.518 -16.095 -3.286 1.00 41.00 ATOM 407 HB1 GLN 27 34.493 -16.056 -3.631 1.00 38.15 ATOM 408 HB2 GLN 27 35.575 -16.782 -2.454 1.00 30.10 ATOM 409 CG GLN 27 36.380 -16.654 -4.421 1.00 74.01 ATOM 410 HG1 GLN 27 37.397 -16.757 -4.069 1.00 38.15 ATOM 411 HG2 GLN 27 36.357 -15.961 -5.251 1.00 11.21 ATOM 412 CD GLN 27 35.899 -18.013 -4.910 1.00 73.13 ATOM 413 OE1 GLN 27 35.340 -18.800 -4.155 1.00 53.31 ATOM 414 NE2 GLN 27 36.115 -18.302 -6.177 1.00 35.31 ATOM 415 HE21 GLN 27 36.574 -17.640 -6.736 1.00 71.34 ATOM 416 HE22 GLN 27 35.798 -19.164 -6.508 1.00 13.43 ATOM 417 C GLN 27 37.248 -14.744 -1.999 1.00 41.14 ATOM 418 O GLN 27 37.267 -14.440 -0.803 1.00 4.44 ATOM 419 N ALA 28 38.350 -15.121 -2.653 1.00 21.32 ATOM 420 HN ALA 28 38.296 -15.312 -3.608 1.00 38.15 ATOM 421 CA ALA 28 39.650 -15.250 -1.972 1.00 14.30 ATOM 422 HA ALA 28 39.762 -14.400 -1.312 1.00 34.33 ATOM 423 CB ALA 28 39.685 -16.517 -1.120 1.00 32.22 ATOM 424 HB1 ALA 28 39.629 -17.387 -1.759 1.00 11.11 ATOM 425 HB2 ALA 28 38.845 -16.519 -0.440 1.00 42.11 ATOM 426 HB3 ALA 28 40.605 -16.546 -0.554 1.00 15.10 ATOM 427 C ALA 28 40.818 -15.256 -2.970 1.00 61.10 ATOM 428 O ALA 28 40.793 -15.986 -3.961 1.00 55.11 ATOM 429 N ALA 29 41.846 -14.452 -2.691 1.00 44.03 ATOM 430 HN ALA 29 41.816 -13.916 -1.868 1.00 38.15 ATOM 431 CA ALA 29 43.017 -14.322 -3.579 1.00 72.21 ATOM 432 HA ALA 29 42.678 -13.863 -4.498 1.00 33.22 ATOM 433 CB ALA 29 44.045 -13.391 -2.948 1.00 3.41 ATOM 434 HB1 ALA 29 44.425 -13.834 -2.039 1.00 44.41 ATOM 435 HB2 ALA 29 43.580 -12.442 -2.718 1.00 21.23 ATOM 436 HB3 ALA 29 44.860 -13.233 -3.639 1.00 34.52 ATOM 437 C ALA 29 43.670 -15.678 -3.916 1.00 74.40 ATOM 438 O ALA 29 44.335 -15.816 -4.943 1.00 62.31 ATOM 439 N GLU 30 43.474 -16.669 -3.048 1.00 73.05 ATOM 440 HN GLU 30 42.950 -16.490 -2.240 1.00 38.15 ATOM 441 CA GLU 30 44.027 -18.017 -3.253 1.00 20.51 ATOM 442 HA GLU 30 45.094 -17.925 -3.391 1.00 43.51 ATOM 443 CB GLU 30 43.755 -18.879 -2.011 1.00 11.42 ATOM 444 HB1 GLU 30 44.234 -19.840 -2.142 1.00 38.15 ATOM 445 HB2 GLU 30 42.688 -19.030 -1.925 1.00 71.10 ATOM 446 CG GLU 30 44.253 -18.269 -0.702 1.00 71.15 ATOM 447 HG1 GLU 30 43.814 -17.287 -0.587 1.00 38.15 ATOM 448 HG2 GLU 30 45.329 -18.176 -0.747 1.00 71.34 ATOM 449 CD GLU 30 43.883 -19.111 0.513 1.00 22.52 ATOM 450 OE1 GLU 30 42.678 -19.352 0.725 1.00 25.42 ATOM 451 OE2 GLU 30 44.789 -19.523 1.269 1.00 60.31 ATOM 452 C GLU 30 43.417 -18.709 -4.488 1.00 13.24 ATOM 453 O GLU 30 44.046 -19.569 -5.109 1.00 73.04 ATOM 454 N LYS 31 42.184 -18.341 -4.829 1.00 21.35 ATOM 455 HN LYS 31 41.752 -17.620 -4.328 1.00 38.15 ATOM 456 CA LYS 31 41.451 -18.991 -5.927 1.00 1.44 ATOM 457 HA LYS 31 42.075 -19.779 -6.326 1.00 53.31 ATOM 458 CB LYS 31 40.161 -19.617 -5.367 1.00 31.15 ATOM 459 HB1 LYS 31 39.473 -18.823 -5.113 1.00 38.15 ATOM 460 HB2 LYS 31 40.405 -20.166 -4.467 1.00 25.03 ATOM 461 CG LYS 31 39.456 -20.573 -6.325 1.00 33.44 ATOM 462 HG1 LYS 31 40.131 -21.378 -6.577 1.00 38.15 ATOM 463 HG2 LYS 31 39.188 -20.033 -7.223 1.00 71.43 ATOM 464 CD LYS 31 38.191 -21.160 -5.706 1.00 43.05 ATOM 465 HD1 LYS 31 37.484 -20.360 -5.533 1.00 38.15 ATOM 466 HD2 LYS 31 38.444 -21.625 -4.765 1.00 22.43 ATOM 467 CE LYS 31 37.545 -22.200 -6.612 1.00 33.25 ATOM 468 HE1 LYS 31 36.641 -22.559 -6.140 1.00 38.15 ATOM 469 HE2 LYS 31 38.230 -23.025 -6.743 1.00 44.42 ATOM 470 NZ LYS 31 37.203 -21.642 -7.946 1.00 65.10 ATOM 471 HZ1 LYS 31 36.630 -20.781 -7.837 1.00 74.21 ATOM 472 HZ2 LYS 31 36.656 -22.336 -8.493 1.00 12.52 ATOM 473 HZ3 LYS 31 38.069 -21.406 -8.470 1.00 31.30 ATOM 474 C LYS 31 41.119 -18.000 -7.065 1.00 42.03 ATOM 475 O LYS 31 40.591 -18.388 -8.111 1.00 54.42 ATOM 476 N ILE 32 41.434 -16.722 -6.855 1.00 53.20 ATOM 477 HN ILE 32 41.878 -16.477 -6.016 1.00 38.15 ATOM 478 CA ILE 32 41.145 -15.670 -7.842 1.00 31.22 ATOM 479 HA ILE 32 40.311 -15.999 -8.449 1.00 14.11 ATOM 480 CB ILE 32 40.743 -14.346 -7.141 1.00 32.03 ATOM 481 HB ILE 32 41.549 -14.063 -6.479 1.00 72.12 ATOM 482 CG1 ILE 32 39.462 -14.538 -6.313 1.00 61.12 ATOM 483 HG11 ILE 32 39.571 -15.409 -5.684 1.00 38.15 ATOM 484 HG12 ILE 32 38.624 -14.684 -6.980 1.00 43.42 ATOM 485 CG2 ILE 32 40.558 -13.223 -8.163 1.00 11.35 ATOM 486 HG21 ILE 32 39.789 -13.501 -8.871 1.00 25.03 ATOM 487 HG22 ILE 32 41.487 -13.056 -8.689 1.00 31.24 ATOM 488 HG23 ILE 32 40.266 -12.316 -7.655 1.00 54.30 ATOM 489 CD1 ILE 32 39.135 -13.361 -5.420 1.00 61.33 ATOM 490 HD11 ILE 32 38.993 -12.477 -6.025 1.00 41.53 ATOM 491 HD12 ILE 32 39.948 -13.196 -4.727 1.00 1.14 ATOM 492 HD13 ILE 32 38.230 -13.568 -4.868 1.00 14.14 ATOM 493 C ILE 32 42.352 -15.399 -8.757 1.00 72.12 ATOM 494 O ILE 32 43.413 -14.978 -8.291 1.00 12.02 ATOM 495 N SER 33 42.174 -15.616 -10.061 1.00 44.33 ATOM 496 HN SER 33 41.306 -15.953 -10.375 1.00 38.15 ATOM 497 CA SER 33 43.244 -15.371 -11.040 1.00 5.23 ATOM 498 HA SER 33 44.103 -15.955 -10.739 1.00 13.33 ATOM 499 CB SER 33 42.813 -15.815 -12.446 1.00 70.03 ATOM 500 HB1 SER 33 41.957 -15.234 -12.757 1.00 38.15 ATOM 501 HB2 SER 33 42.546 -16.861 -12.425 1.00 72.43 ATOM 502 OG SER 33 43.857 -15.631 -13.391 1.00 2.14 ATOM 503 HG SER 33 43.612 -14.934 -14.015 1.00 54.04 ATOM 504 C SER 33 43.648 -13.890 -11.074 1.00 4.30 ATOM 505 O SER 33 44.827 -13.569 -11.185 1.00 41.22 ATOM 506 N ALA 34 42.663 -12.996 -10.955 1.00 1.32 ATOM 507 HN ALA 34 41.744 -13.321 -10.843 1.00 38.15 ATOM 508 CA ALA 34 42.902 -11.541 -11.006 1.00 23.13 ATOM 509 HA ALA 34 43.151 -11.289 -12.028 1.00 11.24 ATOM 510 CB ALA 34 41.626 -10.790 -10.642 1.00 23.24 ATOM 511 HB1 ALA 34 41.376 -10.984 -9.608 1.00 72.40 ATOM 512 HB2 ALA 34 40.818 -11.124 -11.276 1.00 42.40 ATOM 513 HB3 ALA 34 41.777 -9.729 -10.783 1.00 62.42 ATOM 514 C ALA 34 44.058 -11.087 -10.093 1.00 14.24 ATOM 515 O ALA 34 44.895 -10.282 -10.496 1.00 53.00 ATOM 516 N ASP 35 44.097 -11.604 -8.865 1.00 20.30 ATOM 517 HN ASP 35 43.406 -12.242 -8.595 1.00 38.15 ATOM 518 CA ASP 35 45.153 -11.241 -7.910 1.00 20.43 ATOM 519 HA ASP 35 45.296 -10.170 -7.968 1.00 62.20 ATOM 520 CB ASP 35 44.719 -11.605 -6.483 1.00 1.14 ATOM 521 HB1 ASP 35 44.623 -12.680 -6.404 1.00 38.15 ATOM 522 HB2 ASP 35 43.759 -11.150 -6.277 1.00 25.11 ATOM 523 CG ASP 35 45.710 -11.127 -5.433 1.00 32.24 ATOM 524 OD1 ASP 35 45.748 -9.907 -5.157 1.00 23.11 ATOM 525 OD2 ASP 35 46.445 -11.963 -4.870 1.00 70.11 ATOM 526 C ASP 35 46.484 -11.933 -8.265 1.00 22.51 ATOM 527 O ASP 35 47.568 -11.440 -7.936 1.00 40.14 ATOM 528 N LYS 36 46.385 -13.076 -8.941 1.00 42.30 ATOM 529 HN LYS 36 45.492 -13.426 -9.146 1.00 38.15 ATOM 530 CA LYS 36 47.559 -13.830 -9.395 1.00 22.32 ATOM 531 HA LYS 36 48.279 -13.838 -8.588 1.00 4.33 ATOM 532 CB LYS 36 47.139 -15.285 -9.704 1.00 72.23 ATOM 533 HB1 LYS 36 46.379 -15.264 -10.472 1.00 38.15 ATOM 534 HB2 LYS 36 46.709 -15.713 -8.810 1.00 63.24 ATOM 535 CG LYS 36 48.267 -16.214 -10.173 1.00 31.32 ATOM 536 HG1 LYS 36 48.010 -17.232 -9.912 1.00 38.15 ATOM 537 HG2 LYS 36 49.179 -15.938 -9.665 1.00 23.03 ATOM 538 CD LYS 36 48.503 -16.136 -11.682 1.00 71.54 ATOM 539 HD1 LYS 36 48.746 -15.116 -11.948 1.00 38.15 ATOM 540 HD2 LYS 36 47.599 -16.433 -12.193 1.00 31.43 ATOM 541 CE LYS 36 49.642 -17.047 -12.128 1.00 70.34 ATOM 542 HE1 LYS 36 49.731 -16.992 -13.204 1.00 38.15 ATOM 543 HE2 LYS 36 49.409 -18.063 -11.842 1.00 34.50 ATOM 544 NZ LYS 36 50.942 -16.663 -11.517 1.00 21.14 ATOM 545 HZ1 LYS 36 51.196 -15.691 -11.784 1.00 14.53 ATOM 546 HZ2 LYS 36 51.694 -17.303 -11.840 1.00 21.32 ATOM 547 HZ3 LYS 36 50.881 -16.719 -10.479 1.00 61.42 ATOM 548 C LYS 36 48.202 -13.156 -10.622 1.00 12.23 ATOM 549 O LYS 36 49.423 -13.211 -10.806 1.00 54.10 ATOM 550 N ILE 37 47.378 -12.515 -11.454 1.00 20.40 ATOM 551 HN ILE 37 46.416 -12.512 -11.263 1.00 38.15 ATOM 552 CA ILE 37 47.875 -11.811 -12.643 1.00 61.51 ATOM 553 HA ILE 37 48.371 -12.538 -13.273 1.00 44.43 ATOM 554 CB ILE 37 46.725 -11.160 -13.461 1.00 21.54 ATOM 555 HB ILE 37 46.277 -10.385 -12.852 1.00 34.43 ATOM 556 CG1 ILE 37 45.649 -12.201 -13.815 1.00 21.33 ATOM 557 HG11 ILE 37 44.905 -11.740 -14.448 1.00 38.15 ATOM 558 HG12 ILE 37 45.175 -12.539 -12.907 1.00 43.44 ATOM 559 CG2 ILE 37 47.271 -10.500 -14.731 1.00 72.31 ATOM 560 HG21 ILE 37 46.457 -10.057 -15.288 1.00 21.15 ATOM 561 HG22 ILE 37 47.763 -11.241 -15.343 1.00 64.14 ATOM 562 HG23 ILE 37 47.981 -9.731 -14.462 1.00 71.21 ATOM 563 CD1 ILE 37 46.179 -13.424 -14.539 1.00 4.53 ATOM 564 HD11 ILE 37 45.356 -14.075 -14.791 1.00 64.03 ATOM 565 HD12 ILE 37 46.871 -13.952 -13.898 1.00 42.44 ATOM 566 HD13 ILE 37 46.686 -13.119 -15.443 1.00 64.31 ATOM 567 C ILE 37 48.885 -10.725 -12.249 1.00 53.32 ATOM 568 O ILE 37 48.516 -9.680 -11.717 1.00 4.51 ATOM 569 N SER 38 50.164 -10.988 -12.499 1.00 10.21 ATOM 570 HN SER 38 50.394 -11.820 -12.962 1.00 38.15 ATOM 571 CA SER 38 51.240 -10.071 -12.095 1.00 44.40 ATOM 572 HA SER 38 50.803 -9.293 -11.483 1.00 74.11 ATOM 573 CB SER 38 52.279 -10.829 -11.257 1.00 33.43 ATOM 574 HB1 SER 38 53.049 -10.145 -10.928 1.00 38.15 ATOM 575 HB2 SER 38 52.726 -11.610 -11.857 1.00 44.24 ATOM 576 OG SER 38 51.679 -11.424 -10.114 1.00 25.30 ATOM 577 HG SER 38 50.934 -11.976 -10.393 1.00 62.40 ATOM 578 C SER 38 51.919 -9.414 -13.302 1.00 53.32 ATOM 579 O SER 38 51.556 -9.673 -14.454 1.00 72.23 ATOM 580 N LYS 39 52.911 -8.564 -13.020 1.00 52.21 ATOM 581 HN LYS 39 53.126 -8.390 -12.076 1.00 38.15 ATOM 582 CA LYS 39 53.687 -7.862 -14.054 1.00 42.35 ATOM 583 HA LYS 39 53.048 -7.099 -14.478 1.00 51.51 ATOM 584 CB LYS 39 54.902 -7.175 -13.390 1.00 44.21 ATOM 585 HB1 LYS 39 55.433 -7.913 -12.801 1.00 38.15 ATOM 586 HB2 LYS 39 54.534 -6.409 -12.722 1.00 22.44 ATOM 587 CG LYS 39 55.904 -6.520 -14.349 1.00 75.30 ATOM 588 HG1 LYS 39 56.358 -5.672 -13.854 1.00 38.15 ATOM 589 HG2 LYS 39 55.376 -6.179 -15.230 1.00 34.42 ATOM 590 CD LYS 39 57.007 -7.490 -14.780 1.00 55.21 ATOM 591 HD1 LYS 39 56.569 -8.271 -15.386 1.00 38.15 ATOM 592 HD2 LYS 39 57.452 -7.928 -13.898 1.00 14.45 ATOM 593 CE LYS 39 58.100 -6.800 -15.584 1.00 20.44 ATOM 594 HE1 LYS 39 58.552 -6.033 -14.971 1.00 38.15 ATOM 595 HE2 LYS 39 57.658 -6.346 -16.459 1.00 10.35 ATOM 596 NZ LYS 39 59.152 -7.756 -16.018 1.00 71.30 ATOM 597 HZ1 LYS 39 59.851 -7.274 -16.618 1.00 24.15 ATOM 598 HZ2 LYS 39 58.729 -8.538 -16.556 1.00 34.13 ATOM 599 HZ3 LYS 39 59.641 -8.149 -15.187 1.00 45.33 ATOM 600 C LYS 39 54.127 -8.810 -15.182 1.00 64.15 ATOM 601 O LYS 39 53.866 -8.552 -16.360 1.00 10.44 ATOM 602 N GLU 40 54.783 -9.911 -14.816 1.00 73.22 ATOM 603 HN GLU 40 54.968 -10.063 -13.863 1.00 38.15 ATOM 604 CA GLU 40 55.245 -10.895 -15.803 1.00 60.32 ATOM 605 HA GLU 40 55.920 -10.384 -16.475 1.00 14.55 ATOM 606 CB GLU 40 56.012 -12.036 -15.111 1.00 3.22 ATOM 607 HB1 GLU 40 56.892 -11.623 -14.638 1.00 38.15 ATOM 608 HB2 GLU 40 56.322 -12.751 -15.860 1.00 62.22 ATOM 609 CG GLU 40 55.204 -12.778 -14.049 1.00 31.23 ATOM 610 HG1 GLU 40 54.285 -13.130 -14.498 1.00 38.15 ATOM 611 HG2 GLU 40 54.966 -12.091 -13.248 1.00 2.14 ATOM 612 CD GLU 40 55.950 -13.969 -13.463 1.00 60.01 ATOM 613 OE1 GLU 40 55.544 -15.122 -13.724 1.00 44.55 ATOM 614 OE2 GLU 40 56.948 -13.754 -12.743 1.00 65.33 ATOM 615 C GLU 40 54.078 -11.469 -16.628 1.00 51.11 ATOM 616 O GLU 40 54.126 -11.483 -17.857 1.00 33.13 ATOM 617 N ALA 41 53.022 -11.909 -15.943 1.00 45.32 ATOM 618 HN ALA 41 53.002 -11.778 -14.974 1.00 38.15 ATOM 619 CA ALA 41 51.885 -12.577 -16.592 1.00 2.03 ATOM 620 HA ALA 41 52.243 -13.511 -17.000 1.00 22.13 ATOM 621 CB ALA 41 50.811 -12.898 -15.558 1.00 25.05 ATOM 622 HB1 ALA 41 50.401 -11.978 -15.166 1.00 42.32 ATOM 623 HB2 ALA 41 51.247 -13.470 -14.751 1.00 54.23 ATOM 624 HB3 ALA 41 50.023 -13.474 -16.022 1.00 52.23 ATOM 625 C ALA 41 51.291 -11.736 -17.732 1.00 71.05 ATOM 626 O ALA 41 50.989 -12.255 -18.812 1.00 65.43 ATOM 627 N LEU 42 51.132 -10.437 -17.489 1.00 72.43 ATOM 628 HN LEU 42 51.395 -10.082 -16.611 1.00 38.15 ATOM 629 CA LEU 42 50.579 -9.522 -18.491 1.00 62.43 ATOM 630 HA LEU 42 49.650 -9.948 -18.846 1.00 4.50 ATOM 631 CB LEU 42 50.278 -8.156 -17.843 1.00 51.15 ATOM 632 HB1 LEU 42 51.217 -7.709 -17.545 1.00 38.15 ATOM 633 HB2 LEU 42 49.693 -8.336 -16.951 1.00 20.33 ATOM 634 CG LEU 42 49.517 -7.140 -18.722 1.00 41.53 ATOM 635 HG LEU 42 48.798 -7.670 -19.331 1.00 11.23 ATOM 636 CD1 LEU 42 48.752 -6.153 -17.849 1.00 63.51 ATOM 637 HD11 LEU 42 49.447 -5.573 -17.258 1.00 5.54 ATOM 638 HD12 LEU 42 48.088 -6.696 -17.191 1.00 72.35 ATOM 639 HD13 LEU 42 48.172 -5.493 -18.475 1.00 71.35 ATOM 640 CD2 LEU 42 50.467 -6.384 -19.656 1.00 43.12 ATOM 641 HD21 LEU 42 51.205 -5.852 -19.069 1.00 53.42 ATOM 642 HD22 LEU 42 49.903 -5.680 -20.249 1.00 61.34 ATOM 643 HD23 LEU 42 50.964 -7.085 -20.309 1.00 35.51 ATOM 644 C LEU 42 51.533 -9.368 -19.688 1.00 63.41 ATOM 645 O LEU 42 51.125 -9.515 -20.843 1.00 22.02 ATOM 646 N LEU 43 52.805 -9.090 -19.407 1.00 15.23 ATOM 647 HN LEU 43 53.087 -9.037 -18.468 1.00 38.15 ATOM 648 CA LEU 43 53.796 -8.865 -20.466 1.00 34.32 ATOM 649 HA LEU 43 53.421 -8.064 -21.089 1.00 35.42 ATOM 650 CB LEU 43 55.142 -8.426 -19.873 1.00 73.43 ATOM 651 HB1 LEU 43 55.846 -8.309 -20.686 1.00 38.15 ATOM 652 HB2 LEU 43 55.497 -9.213 -19.223 1.00 13.12 ATOM 653 CG LEU 43 55.115 -7.113 -19.070 1.00 75.23 ATOM 654 HG LEU 43 54.571 -7.279 -18.150 1.00 52.03 ATOM 655 CD1 LEU 43 56.528 -6.678 -18.699 1.00 21.22 ATOM 656 HD11 LEU 43 56.484 -5.751 -18.144 1.00 25.44 ATOM 657 HD12 LEU 43 57.111 -6.531 -19.597 1.00 20.43 ATOM 658 HD13 LEU 43 56.992 -7.440 -18.088 1.00 70.22 ATOM 659 CD2 LEU 43 54.398 -6.010 -19.843 1.00 73.43 ATOM 660 HD21 LEU 43 53.367 -6.291 -19.997 1.00 14.02 ATOM 661 HD22 LEU 43 54.878 -5.867 -20.801 1.00 64.30 ATOM 662 HD23 LEU 43 54.439 -5.089 -19.281 1.00 20.21 ATOM 663 C LEU 43 53.990 -10.109 -21.349 1.00 4.34 ATOM 664 O LEU 43 54.059 -9.997 -22.574 1.00 33.41 ATOM 665 N GLU 44 54.071 -11.290 -20.729 1.00 13.21 ATOM 666 HN GLU 44 54.050 -11.315 -19.748 1.00 38.15 ATOM 667 CA GLU 44 54.202 -12.551 -21.476 1.00 34.33 ATOM 668 HA GLU 44 55.153 -12.536 -21.991 1.00 73.54 ATOM 669 CB GLU 44 54.169 -13.757 -20.519 1.00 24.03 ATOM 670 HB1 GLU 44 54.253 -14.665 -21.102 1.00 38.15 ATOM 671 HB2 GLU 44 53.217 -13.763 -20.006 1.00 4.42 ATOM 672 CG GLU 44 55.272 -13.767 -19.463 1.00 43.51 ATOM 673 HG1 GLU 44 55.111 -14.610 -18.805 1.00 38.15 ATOM 674 HG2 GLU 44 55.207 -12.854 -18.889 1.00 73.42 ATOM 675 CD GLU 44 56.670 -13.873 -20.051 1.00 62.01 ATOM 676 OE1 GLU 44 57.028 -14.956 -20.558 1.00 35.34 ATOM 677 OE2 GLU 44 57.428 -12.886 -19.985 1.00 11.02 ATOM 678 C GLU 44 53.076 -12.699 -22.516 1.00 75.34 ATOM 679 O GLU 44 53.316 -13.070 -23.668 1.00 23.34 ATOM 680 N CYS 45 51.847 -12.398 -22.094 1.00 24.10 ATOM 681 HN CYS 45 51.726 -12.099 -21.168 1.00 38.15 ATOM 682 CA CYS 45 50.670 -12.504 -22.971 1.00 63.54 ATOM 683 HA CYS 45 50.717 -13.461 -23.469 1.00 20.13 ATOM 684 CB CYS 45 49.383 -12.444 -22.139 1.00 40.12 ATOM 685 HB1 CYS 45 48.530 -12.517 -22.798 1.00 38.15 ATOM 686 HB2 CYS 45 49.346 -11.500 -21.615 1.00 11.40 ATOM 687 SG CYS 45 49.236 -13.757 -20.903 1.00 51.33 ATOM 688 HG CYS 45 49.678 -13.281 -19.747 1.00 71.43 ATOM 689 C CYS 45 50.648 -11.396 -24.035 1.00 74.33 ATOM 690 O CYS 45 50.364 -11.649 -25.205 1.00 74.14 ATOM 691 N ALA 46 50.948 -10.166 -23.621 1.00 2.31 ATOM 692 HN ALA 46 51.160 -10.022 -22.675 1.00 38.15 ATOM 693 CA ALA 46 50.966 -9.021 -24.539 1.00 10.03 ATOM 694 HA ALA 46 49.994 -8.962 -25.012 1.00 43.44 ATOM 695 CB ALA 46 51.190 -7.729 -23.762 1.00 0.20 ATOM 696 HB1 ALA 46 52.153 -7.763 -23.273 1.00 1.11 ATOM 697 HB2 ALA 46 50.413 -7.618 -23.018 1.00 1.11 ATOM 698 HB3 ALA 46 51.161 -6.890 -24.441 1.00 61.33 ATOM 699 C ALA 46 52.036 -9.185 -25.626 1.00 70.13 ATOM 700 O ALA 46 51.824 -8.822 -26.786 1.00 32.02 ATOM 701 N ASP 47 53.181 -9.746 -25.247 1.00 40.14 ATOM 702 HN ASP 47 53.296 -10.003 -24.307 1.00 38.15 ATOM 703 CA ASP 47 54.281 -9.980 -26.184 1.00 73.20 ATOM 704 HA ASP 47 54.592 -9.018 -26.570 1.00 41.52 ATOM 705 CB ASP 47 55.460 -10.620 -25.449 1.00 20.03 ATOM 706 HB1 ASP 47 55.166 -11.598 -25.090 1.00 38.15 ATOM 707 HB2 ASP 47 55.727 -10.001 -24.603 1.00 20.51 ATOM 708 CG ASP 47 56.681 -10.774 -26.336 1.00 34.23 ATOM 709 OD1 ASP 47 56.867 -11.861 -26.918 1.00 64.25 ATOM 710 OD2 ASP 47 57.454 -9.802 -26.458 1.00 44.44 ATOM 711 C ASP 47 53.838 -10.865 -27.365 1.00 65.14 ATOM 712 O ASP 47 54.370 -10.753 -28.471 1.00 41.33 ATOM 713 N LEU 48 52.853 -11.735 -27.125 1.00 51.24 ATOM 714 HN LEU 48 52.490 -11.804 -26.216 1.00 38.15 ATOM 715 CA LEU 48 52.299 -12.589 -28.183 1.00 63.51 ATOM 716 HA LEU 48 53.099 -13.223 -28.539 1.00 31.42 ATOM 717 CB LEU 48 51.176 -13.478 -27.630 1.00 30.23 ATOM 718 HB1 LEU 48 50.639 -13.909 -28.464 1.00 38.15 ATOM 719 HB2 LEU 48 50.492 -12.852 -27.071 1.00 55.41 ATOM 720 CG LEU 48 51.643 -14.621 -26.717 1.00 71.12 ATOM 721 HG LEU 48 52.210 -14.208 -25.894 1.00 4.45 ATOM 722 CD1 LEU 48 50.449 -15.372 -26.133 1.00 3.12 ATOM 723 HD11 LEU 48 50.802 -16.155 -25.477 1.00 74.34 ATOM 724 HD12 LEU 48 49.867 -15.808 -26.933 1.00 2.13 ATOM 725 HD13 LEU 48 49.831 -14.685 -25.572 1.00 72.51 ATOM 726 CD2 LEU 48 52.557 -15.572 -27.490 1.00 51.14 ATOM 727 HD21 LEU 48 52.035 -15.949 -28.360 1.00 31.55 ATOM 728 HD22 LEU 48 52.840 -16.397 -26.855 1.00 14.33 ATOM 729 HD23 LEU 48 53.444 -15.042 -27.806 1.00 54.25 ATOM 730 C LEU 48 51.780 -11.760 -29.365 1.00 44.35 ATOM 731 O LEU 48 51.927 -12.159 -30.517 1.00 1.12 ATOM 732 N LEU 49 51.179 -10.606 -29.077 1.00 33.22 ATOM 733 HN LEU 49 51.056 -10.350 -28.136 1.00 38.15 ATOM 734 CA LEU 49 50.706 -9.708 -30.136 1.00 44.32 ATOM 735 HA LEU 49 50.189 -10.314 -30.870 1.00 12.30 ATOM 736 CB LEU 49 49.727 -8.659 -29.581 1.00 30.41 ATOM 737 HB1 LEU 49 49.532 -7.935 -30.359 1.00 38.15 ATOM 738 HB2 LEU 49 50.210 -8.151 -28.756 1.00 3.02 ATOM 739 CG LEU 49 48.373 -9.209 -29.085 1.00 2.40 ATOM 740 HG LEU 49 47.963 -9.860 -29.847 1.00 32.41 ATOM 741 CD1 LEU 49 48.546 -10.039 -27.815 1.00 40.24 ATOM 742 HD11 LEU 49 49.185 -10.885 -28.022 1.00 70.02 ATOM 743 HD12 LEU 49 47.581 -10.392 -27.481 1.00 54.04 ATOM 744 HD13 LEU 49 48.994 -9.431 -27.043 1.00 10.44 ATOM 745 CD2 LEU 49 47.376 -8.075 -28.856 1.00 63.45 ATOM 746 HD21 LEU 49 47.771 -7.389 -28.120 1.00 72.20 ATOM 747 HD22 LEU 49 46.440 -8.482 -28.502 1.00 23.42 ATOM 748 HD23 LEU 49 47.209 -7.548 -29.784 1.00 20.43 ATOM 749 C LEU 49 51.891 -9.019 -30.825 1.00 31.35 ATOM 750 O LEU 49 51.892 -8.838 -32.041 1.00 65.10 ATOM 751 N SER 50 52.904 -8.652 -30.039 1.00 72.33 ATOM 752 HN SER 50 52.817 -8.771 -29.069 1.00 38.15 ATOM 753 CA SER 50 54.143 -8.073 -30.586 1.00 33.44 ATOM 754 HA SER 50 53.887 -7.137 -31.065 1.00 64.34 ATOM 755 CB SER 50 55.158 -7.798 -29.462 1.00 3.42 ATOM 756 HB1 SER 50 55.389 -8.725 -28.955 1.00 38.15 ATOM 757 HB2 SER 50 54.730 -7.103 -28.756 1.00 14.42 ATOM 758 OG SER 50 56.364 -7.245 -29.972 1.00 25.42 ATOM 759 HG SER 50 57.114 -7.777 -29.672 1.00 41.23 ATOM 760 C SER 50 54.765 -9.011 -31.631 1.00 32.14 ATOM 761 O SER 50 55.071 -8.599 -32.752 1.00 4.13 ATOM 762 N SER 51 54.928 -10.284 -31.261 1.00 11.54 ATOM 763 HN SER 51 54.699 -10.545 -30.342 1.00 38.15 ATOM 764 CA SER 51 55.449 -11.301 -32.189 1.00 63.42 ATOM 765 HA SER 51 56.382 -10.933 -32.589 1.00 12.43 ATOM 766 CB SER 51 55.709 -12.629 -31.467 1.00 74.41 ATOM 767 HB1 SER 51 54.771 -13.037 -31.116 1.00 38.15 ATOM 768 HB2 SER 51 56.363 -12.457 -30.623 1.00 15.32 ATOM 769 OG SER 51 56.324 -13.576 -32.335 1.00 12.14 ATOM 770 HG SER 51 55.641 -14.080 -32.808 1.00 3.52 ATOM 771 C SER 51 54.480 -11.544 -33.346 1.00 11.14 ATOM 772 O SER 51 54.881 -11.565 -34.505 1.00 21.34 ATOM 773 N ALA 52 53.200 -11.714 -33.022 1.00 45.13 ATOM 774 HN ALA 52 52.937 -11.657 -32.080 1.00 38.15 ATOM 775 CA ALA 52 52.170 -11.991 -34.031 1.00 43.02 ATOM 776 HA ALA 52 52.443 -12.912 -34.530 1.00 71.12 ATOM 777 CB ALA 52 50.820 -12.210 -33.355 1.00 31.34 ATOM 778 HB1 ALA 52 50.504 -11.295 -32.871 1.00 23.51 ATOM 779 HB2 ALA 52 50.911 -12.994 -32.614 1.00 24.22 ATOM 780 HB3 ALA 52 50.087 -12.498 -34.095 1.00 54.32 ATOM 781 C ALA 52 52.070 -10.875 -35.088 1.00 34.43 ATOM 782 O ALA 52 51.512 -11.080 -36.161 1.00 75.42 ATOM 783 N LEU 53 52.595 -9.691 -34.774 1.00 31.11 ATOM 784 HN LEU 53 52.954 -9.554 -33.872 1.00 38.15 ATOM 785 CA LEU 53 52.627 -8.579 -35.734 1.00 23.52 ATOM 786 HA LEU 53 51.855 -8.762 -36.470 1.00 11.05 ATOM 787 CB LEU 53 52.310 -7.261 -35.014 1.00 14.33 ATOM 788 HB1 LEU 53 52.495 -6.443 -35.697 1.00 38.15 ATOM 789 HB2 LEU 53 52.982 -7.164 -34.171 1.00 53.11 ATOM 790 CG LEU 53 50.865 -7.143 -34.499 1.00 12.33 ATOM 791 HG LEU 53 50.643 -8.001 -33.879 1.00 64.41 ATOM 792 CD1 LEU 53 50.693 -5.895 -33.644 1.00 43.55 ATOM 793 HD11 LEU 53 50.951 -5.020 -34.224 1.00 13.13 ATOM 794 HD12 LEU 53 51.339 -5.958 -32.780 1.00 32.11 ATOM 795 HD13 LEU 53 49.666 -5.821 -33.318 1.00 64.51 ATOM 796 CD2 LEU 53 49.875 -7.138 -35.663 1.00 23.20 ATOM 797 HD21 LEU 53 48.868 -7.069 -35.279 1.00 31.35 ATOM 798 HD22 LEU 53 49.979 -8.052 -36.228 1.00 32.41 ATOM 799 HD23 LEU 53 50.074 -6.291 -36.307 1.00 74.44 ATOM 800 C LEU 53 53.978 -8.492 -36.469 1.00 5.05 ATOM 801 O LEU 53 54.085 -7.845 -37.515 1.00 12.52 ATOM 802 N THR 54 55.011 -9.133 -35.918 1.00 73.30 ATOM 803 HN THR 54 54.898 -9.558 -35.042 1.00 38.15 ATOM 804 CA THR 54 56.318 -9.223 -36.594 1.00 23.01 ATOM 805 HA THR 54 56.448 -8.324 -37.185 1.00 74.11 ATOM 806 CB THR 54 57.499 -9.316 -35.590 1.00 33.34 ATOM 807 HB THR 54 58.421 -9.392 -36.152 1.00 24.03 ATOM 808 OG1 THR 54 57.368 -10.479 -34.759 1.00 20.23 ATOM 809 HG1 THR 54 57.727 -10.289 -33.880 1.00 72.34 ATOM 810 CG2 THR 54 57.573 -8.070 -34.713 1.00 1.34 ATOM 811 HG21 THR 54 56.661 -7.976 -34.142 1.00 72.14 ATOM 812 HG22 THR 54 57.700 -7.196 -35.335 1.00 71.10 ATOM 813 HG23 THR 54 58.412 -8.155 -34.037 1.00 41.12 ATOM 814 C THR 54 56.364 -10.434 -37.537 1.00 21.24 ATOM 815 O THR 54 57.140 -10.464 -38.495 1.00 60.02 ATOM 816 N GLU 55 55.525 -11.430 -37.256 1.00 22.11 ATOM 817 HN GLU 55 54.994 -11.379 -36.432 1.00 38.15 ATOM 818 CA GLU 55 55.364 -12.601 -38.128 1.00 43.21 ATOM 819 HA GLU 55 56.153 -12.585 -38.867 1.00 15.42 ATOM 820 CB GLU 55 55.470 -13.896 -37.303 1.00 64.13 ATOM 821 HB1 GLU 55 56.415 -13.897 -36.777 1.00 38.15 ATOM 822 HB2 GLU 55 55.446 -14.742 -37.978 1.00 75.23 ATOM 823 CG GLU 55 54.351 -14.069 -36.277 1.00 60.31 ATOM 824 HG1 GLU 55 53.403 -14.077 -36.797 1.00 38.15 ATOM 825 HG2 GLU 55 54.372 -13.230 -35.595 1.00 34.31 ATOM 826 CD GLU 55 54.476 -15.352 -35.474 1.00 45.24 ATOM 827 OE1 GLU 55 55.022 -15.313 -34.348 1.00 75.12 ATOM 828 OE2 GLU 55 54.032 -16.412 -35.971 1.00 62.41 ATOM 829 C GLU 55 54.004 -12.543 -38.847 1.00 53.13 ATOM 830 O GLU 55 53.050 -11.975 -38.321 1.00 75.42 ATOM 831 N PRO 56 53.882 -13.114 -40.062 1.00 61.33 ATOM 832 CA PRO 56 52.601 -13.119 -40.792 1.00 3.22 ATOM 833 HA PRO 56 52.208 -12.116 -40.901 1.00 74.14 ATOM 834 CB PRO 56 52.975 -13.684 -42.179 1.00 54.05 ATOM 835 HB1 PRO 56 52.526 -13.075 -42.950 1.00 38.15 ATOM 836 HB2 PRO 56 52.616 -14.702 -42.267 1.00 63.21 ATOM 837 CG PRO 56 54.471 -13.628 -42.243 1.00 63.44 ATOM 838 HG1 PRO 56 54.786 -12.678 -42.655 1.00 38.15 ATOM 839 HG2 PRO 56 54.843 -14.440 -42.851 1.00 45.30 ATOM 840 CD PRO 56 54.953 -13.770 -40.827 1.00 30.02 ATOM 841 HD1 PRO 56 55.895 -13.258 -40.691 1.00 38.15 ATOM 842 HD2 PRO 56 55.043 -14.813 -40.555 1.00 55.44 ATOM 843 C PRO 56 51.539 -14.009 -40.116 1.00 31.32 ATOM 844 O PRO 56 51.747 -15.213 -39.928 1.00 32.31 ATOM 845 N VAL 57 50.394 -13.414 -39.770 1.00 72.12 ATOM 846 HN VAL 57 50.289 -12.457 -39.948 1.00 38.15 ATOM 847 CA VAL 57 49.286 -14.137 -39.124 1.00 15.13 ATOM 848 HA VAL 57 49.385 -15.188 -39.364 1.00 23.14 ATOM 849 CB VAL 57 49.319 -13.982 -37.578 1.00 54.13 ATOM 850 HB VAL 57 48.506 -14.566 -37.169 1.00 1.24 ATOM 851 CG1 VAL 57 50.621 -14.520 -36.987 1.00 73.13 ATOM 852 HG11 VAL 57 50.589 -14.440 -35.910 1.00 63.21 ATOM 853 HG12 VAL 57 51.455 -13.945 -37.364 1.00 71.41 ATOM 854 HG13 VAL 57 50.744 -15.556 -37.267 1.00 50.42 ATOM 855 CG2 VAL 57 49.099 -12.528 -37.174 1.00 62.10 ATOM 856 HG21 VAL 57 49.148 -12.440 -36.097 1.00 64.43 ATOM 857 HG22 VAL 57 48.127 -12.201 -37.515 1.00 14.32 ATOM 858 HG23 VAL 57 49.864 -11.908 -37.619 1.00 64.32 ATOM 859 C VAL 57 47.918 -13.638 -39.635 1.00 51.31 ATOM 860 O VAL 57 47.809 -12.517 -40.135 1.00 52.45 ATOM 861 N PRO 58 46.852 -14.458 -39.519 1.00 41.43 ATOM 862 CA PRO 58 45.489 -14.030 -39.876 1.00 74.42 ATOM 863 HA PRO 58 45.457 -13.627 -40.880 1.00 65.11 ATOM 864 CB PRO 58 44.659 -15.327 -39.816 1.00 31.22 ATOM 865 HB1 PRO 58 44.064 -15.417 -40.716 1.00 38.15 ATOM 866 HB2 PRO 58 44.003 -15.303 -38.956 1.00 33.34 ATOM 867 CG PRO 58 45.650 -16.442 -39.707 1.00 23.13 ATOM 868 HG1 PRO 58 45.888 -16.821 -40.691 1.00 38.15 ATOM 869 HG2 PRO 58 45.243 -17.232 -39.092 1.00 54.43 ATOM 870 CD PRO 58 46.878 -15.856 -39.062 1.00 60.41 ATOM 871 HD1 PRO 58 47.768 -16.362 -39.409 1.00 38.15 ATOM 872 HD2 PRO 58 46.804 -15.913 -37.984 1.00 54.02 ATOM 873 C PRO 58 44.921 -12.987 -38.893 1.00 13.21 ATOM 874 O PRO 58 45.208 -13.022 -37.690 1.00 63.43 ATOM 875 N ASN 59 44.089 -12.075 -39.403 1.00 42.33 ATOM 876 HN ASN 59 43.871 -12.113 -40.360 1.00 38.15 ATOM 877 CA ASN 59 43.487 -11.026 -38.567 1.00 25.40 ATOM 878 HA ASN 59 44.295 -10.456 -38.125 1.00 64.43 ATOM 879 CB ASN 59 42.626 -10.083 -39.420 1.00 73.11 ATOM 880 HB1 ASN 59 42.187 -9.330 -38.778 1.00 38.15 ATOM 881 HB2 ASN 59 41.835 -10.651 -39.887 1.00 51.31 ATOM 882 CG ASN 59 43.416 -9.378 -40.515 1.00 34.22 ATOM 883 OD1 ASN 59 42.878 -9.038 -41.561 1.00 73.31 ATOM 884 ND2 ASN 59 44.694 -9.146 -40.291 1.00 63.33 ATOM 885 HD21 ASN 59 45.078 -9.429 -39.440 1.00 32.02 ATOM 886 HD22 ASN 59 45.206 -8.703 -40.996 1.00 12.31 ATOM 887 C ASN 59 42.641 -11.631 -37.434 1.00 64.23 ATOM 888 O ASN 59 42.543 -11.064 -36.343 1.00 43.22 ATOM 889 N SER 60 42.045 -12.793 -37.696 1.00 30.31 ATOM 890 HN SER 60 42.155 -13.193 -38.587 1.00 38.15 ATOM 891 CA SER 60 41.235 -13.496 -36.692 1.00 50.52 ATOM 892 HA SER 60 40.479 -12.808 -36.337 1.00 12.31 ATOM 893 CB SER 60 40.545 -14.717 -37.316 1.00 65.32 ATOM 894 HB1 SER 60 41.295 -15.400 -37.688 1.00 38.15 ATOM 895 HB2 SER 60 39.920 -14.392 -38.135 1.00 42.21 ATOM 896 OG SER 60 39.730 -15.403 -36.371 1.00 14.14 ATOM 897 HG SER 60 39.283 -14.759 -35.802 1.00 53.15 ATOM 898 C SER 60 42.097 -13.936 -35.506 1.00 12.21 ATOM 899 O SER 60 41.665 -13.872 -34.356 1.00 44.22 ATOM 900 N GLN 61 43.325 -14.368 -35.797 1.00 13.52 ATOM 901 HN GLN 61 43.603 -14.411 -36.736 1.00 38.15 ATOM 902 CA GLN 61 44.276 -14.769 -34.754 1.00 22.31 ATOM 903 HA GLN 61 43.807 -15.542 -34.159 1.00 62.15 ATOM 904 CB GLN 61 45.556 -15.335 -35.392 1.00 54.05 ATOM 905 HB1 GLN 61 46.012 -14.564 -36.001 1.00 38.15 ATOM 906 HB2 GLN 61 45.289 -16.167 -36.028 1.00 33.35 ATOM 907 CG GLN 61 46.593 -15.820 -34.381 1.00 43.32 ATOM 908 HG1 GLN 61 46.157 -16.617 -33.793 1.00 38.15 ATOM 909 HG2 GLN 61 46.850 -14.997 -33.730 1.00 15.22 ATOM 910 CD GLN 61 47.867 -16.339 -35.032 1.00 53.15 ATOM 911 OE1 GLN 61 47.851 -16.858 -36.145 1.00 41.20 ATOM 912 NE2 GLN 61 48.982 -16.206 -34.341 1.00 52.32 ATOM 913 HE21 GLN 61 48.931 -15.786 -33.456 1.00 51.42 ATOM 914 HE22 GLN 61 49.812 -16.530 -34.741 1.00 51.54 ATOM 915 C GLN 61 44.620 -13.579 -33.843 1.00 33.14 ATOM 916 O GLN 61 44.662 -13.709 -32.618 1.00 4.50 ATOM 917 N LEU 62 44.859 -12.420 -34.459 1.00 2.02 ATOM 918 HN LEU 62 44.854 -12.396 -35.443 1.00 38.15 ATOM 919 CA LEU 62 45.135 -11.182 -33.713 1.00 54.32 ATOM 920 HA LEU 62 46.030 -11.341 -33.129 1.00 43.44 ATOM 921 CB LEU 62 45.379 -10.020 -34.688 1.00 24.11 ATOM 922 HB1 LEU 62 45.476 -9.107 -34.115 1.00 38.15 ATOM 923 HB2 LEU 62 44.513 -9.930 -35.329 1.00 31.22 ATOM 924 CG LEU 62 46.622 -10.162 -35.579 1.00 51.32 ATOM 925 HG LEU 62 46.547 -11.083 -36.142 1.00 4.32 ATOM 926 CD1 LEU 62 46.704 -9.011 -36.578 1.00 40.32 ATOM 927 HD11 LEU 62 45.809 -8.994 -37.183 1.00 54.44 ATOM 928 HD12 LEU 62 47.565 -9.147 -37.216 1.00 61.11 ATOM 929 HD13 LEU 62 46.795 -8.075 -36.045 1.00 53.42 ATOM 930 CD2 LEU 62 47.890 -10.233 -34.727 1.00 21.34 ATOM 931 HD21 LEU 62 47.834 -11.086 -34.067 1.00 43.54 ATOM 932 HD22 LEU 62 47.985 -9.331 -34.140 1.00 61.34 ATOM 933 HD23 LEU 62 48.753 -10.334 -35.371 1.00 1.40 ATOM 934 C LEU 62 43.981 -10.827 -32.761 1.00 11.11 ATOM 935 O LEU 62 44.189 -10.614 -31.563 1.00 3.22 ATOM 936 N VAL 63 42.764 -10.772 -33.300 1.00 3.14 ATOM 937 HN VAL 63 42.660 -10.957 -34.258 1.00 38.15 ATOM 938 CA VAL 63 41.578 -10.441 -32.500 1.00 35.42 ATOM 939 HA VAL 63 41.753 -9.477 -32.042 1.00 24.32 ATOM 940 CB VAL 63 40.307 -10.334 -33.386 1.00 11.33 ATOM 941 HB VAL 63 40.122 -11.302 -33.830 1.00 12.15 ATOM 942 CG1 VAL 63 39.082 -9.957 -32.549 1.00 21.22 ATOM 943 HG11 VAL 63 38.215 -9.875 -33.190 1.00 44.43 ATOM 944 HG12 VAL 63 39.255 -9.011 -32.057 1.00 45.14 ATOM 945 HG13 VAL 63 38.905 -10.721 -31.805 1.00 30.03 ATOM 946 CG2 VAL 63 40.522 -9.327 -34.516 1.00 52.04 ATOM 947 HG21 VAL 63 39.632 -9.273 -35.126 1.00 51.33 ATOM 948 HG22 VAL 63 41.356 -9.644 -35.126 1.00 2.21 ATOM 949 HG23 VAL 63 40.733 -8.351 -34.098 1.00 75.45 ATOM 950 C VAL 63 41.345 -11.479 -31.386 1.00 23.25 ATOM 951 O VAL 63 41.070 -11.126 -30.232 1.00 42.44 ATOM 952 N ASP 64 41.471 -12.759 -31.737 1.00 14.44 ATOM 953 HN ASP 64 41.685 -12.976 -32.669 1.00 38.15 ATOM 954 CA ASP 64 41.299 -13.848 -30.773 1.00 54.12 ATOM 955 HA ASP 64 40.295 -13.775 -30.377 1.00 31.11 ATOM 956 CB ASP 64 41.454 -15.205 -31.473 1.00 31.34 ATOM 957 HB1 ASP 64 42.441 -15.264 -31.910 1.00 38.15 ATOM 958 HB2 ASP 64 40.715 -15.283 -32.258 1.00 32.31 ATOM 959 CG ASP 64 41.270 -16.381 -30.525 1.00 74.04 ATOM 960 OD1 ASP 64 40.304 -16.370 -29.735 1.00 63.13 ATOM 961 OD2 ASP 64 42.085 -17.325 -30.570 1.00 35.52 ATOM 962 C ASP 64 42.296 -13.725 -29.607 1.00 31.05 ATOM 963 O ASP 64 41.898 -13.710 -28.444 1.00 15.42 ATOM 964 N THR 65 43.588 -13.613 -29.927 1.00 35.25 ATOM 965 HN THR 65 43.846 -13.632 -30.874 1.00 38.15 ATOM 966 CA THR 65 44.633 -13.462 -28.900 1.00 44.40 ATOM 967 HA THR 65 44.577 -14.318 -28.242 1.00 61.51 ATOM 968 CB THR 65 46.055 -13.423 -29.526 1.00 72.21 ATOM 969 HB THR 65 46.120 -12.563 -30.180 1.00 3.11 ATOM 970 OG1 THR 65 46.302 -14.612 -30.297 1.00 63.13 ATOM 971 HG1 THR 65 45.487 -15.126 -30.369 1.00 22.25 ATOM 972 CG2 THR 65 47.130 -13.297 -28.449 1.00 32.44 ATOM 973 HG21 THR 65 48.108 -13.300 -28.912 1.00 51.13 ATOM 974 HG22 THR 65 47.054 -14.128 -27.764 1.00 73.52 ATOM 975 HG23 THR 65 46.993 -12.370 -27.908 1.00 63.04 ATOM 976 C THR 65 44.418 -12.186 -28.072 1.00 2.25 ATOM 977 O THR 65 44.618 -12.174 -26.856 1.00 71.13 ATOM 978 N GLY 66 43.990 -11.117 -28.741 1.00 61.41 ATOM 979 HN GLY 66 43.855 -11.184 -29.710 1.00 38.15 ATOM 980 CA GLY 66 43.731 -9.851 -28.064 1.00 43.15 ATOM 981 HA1 GLY 66 43.445 -9.119 -28.804 1.00 38.15 ATOM 982 HA2 GLY 66 44.643 -9.520 -27.586 1.00 0.44 ATOM 983 C GLY 66 42.627 -9.937 -27.009 1.00 75.13 ATOM 984 O GLY 66 42.628 -9.175 -26.040 1.00 22.54 ATOM 985 N HIS 67 41.682 -10.864 -27.191 1.00 61.33 ATOM 986 HN HIS 67 41.725 -11.438 -27.989 1.00 38.15 ATOM 987 CA HIS 67 40.575 -11.036 -26.236 1.00 4.44 ATOM 988 HA HIS 67 40.029 -10.102 -26.217 1.00 14.51 ATOM 989 CB HIS 67 39.616 -12.144 -26.694 1.00 14.21 ATOM 990 HB1 HIS 67 38.897 -12.340 -25.909 1.00 38.15 ATOM 991 HB2 HIS 67 40.181 -13.044 -26.885 1.00 63.45 ATOM 992 CG HIS 67 38.853 -11.808 -27.940 1.00 34.23 ATOM 993 ND1 HIS 67 38.563 -12.734 -28.914 1.00 74.33 ATOM 994 HD1 HIS 67 38.815 -13.683 -28.896 1.00 23.12 ATOM 995 CD2 HIS 67 38.296 -10.645 -28.356 1.00 31.10 ATOM 996 HD2 HIS 67 38.325 -9.697 -27.837 1.00 4.25 ATOM 997 CE1 HIS 67 37.868 -12.161 -29.874 1.00 3.32 ATOM 998 HE1 HIS 67 37.507 -12.647 -30.767 1.00 20.21 ATOM 999 NE2 HIS 67 37.689 -10.894 -29.563 1.00 43.20 ATOM 1000 HE2 HIS 67 37.026 -10.308 -29.988 1.00 38.15 ATOM 1001 C HIS 67 41.073 -11.329 -24.805 1.00 62.25 ATOM 1002 O HIS 67 40.669 -10.651 -23.857 1.00 35.20 ATOM 1003 N GLN 68 41.945 -12.330 -24.641 1.00 62.02 ATOM 1004 HN GLN 68 42.240 -12.848 -25.423 1.00 38.15 ATOM 1005 CA GLN 68 42.460 -12.682 -23.307 1.00 23.51 ATOM 1006 HA GLN 68 41.602 -12.881 -22.678 1.00 53.53 ATOM 1007 CB GLN 68 43.329 -13.949 -23.351 1.00 51.34 ATOM 1008 HB1 GLN 68 42.740 -14.757 -23.761 1.00 38.15 ATOM 1009 HB2 GLN 68 43.615 -14.209 -22.341 1.00 55.15 ATOM 1010 CG GLN 68 44.602 -13.819 -24.185 1.00 2.13 ATOM 1011 HG1 GLN 68 45.176 -12.981 -23.815 1.00 38.15 ATOM 1012 HG2 GLN 68 44.326 -13.636 -25.213 1.00 50.30 ATOM 1013 CD GLN 68 45.475 -15.066 -24.132 1.00 53.24 ATOM 1014 OE1 GLN 68 46.154 -15.408 -25.095 1.00 34.20 ATOM 1015 NE2 GLN 68 45.473 -15.753 -23.002 1.00 72.22 ATOM 1016 HE21 GLN 68 44.919 -15.433 -22.266 1.00 11.42 ATOM 1017 HE22 GLN 68 46.032 -16.557 -22.951 1.00 34.53 ATOM 1018 C GLN 68 43.249 -11.524 -22.679 1.00 63.54 ATOM 1019 O GLN 68 43.331 -11.414 -21.457 1.00 32.04 ATOM 1020 N LEU 69 43.821 -10.654 -23.511 1.00 63.24 ATOM 1021 HN LEU 69 43.785 -10.819 -24.479 1.00 38.15 ATOM 1022 CA LEU 69 44.504 -9.456 -23.007 1.00 22.24 ATOM 1023 HA LEU 69 45.292 -9.792 -22.345 1.00 24.34 ATOM 1024 CB LEU 69 45.136 -8.651 -24.157 1.00 25.20 ATOM 1025 HB1 LEU 69 45.082 -7.600 -23.912 1.00 38.15 ATOM 1026 HB2 LEU 69 44.552 -8.821 -25.052 1.00 74.34 ATOM 1027 CG LEU 69 46.604 -8.992 -24.468 1.00 71.53 ATOM 1028 HG LEU 69 46.933 -8.395 -25.307 1.00 43.21 ATOM 1029 CD1 LEU 69 47.496 -8.653 -23.275 1.00 60.12 ATOM 1030 HD11 LEU 69 47.418 -7.598 -23.055 1.00 63.14 ATOM 1031 HD12 LEU 69 48.522 -8.893 -23.511 1.00 4.32 ATOM 1032 HD13 LEU 69 47.183 -9.224 -22.413 1.00 64.01 ATOM 1033 CD2 LEU 69 46.758 -10.464 -24.848 1.00 1.15 ATOM 1034 HD21 LEU 69 47.796 -10.670 -25.068 1.00 45.43 ATOM 1035 HD22 LEU 69 46.158 -10.679 -25.720 1.00 52.32 ATOM 1036 HD23 LEU 69 46.435 -11.087 -24.026 1.00 1.13 ATOM 1037 C LEU 69 43.543 -8.576 -22.195 1.00 53.43 ATOM 1038 O LEU 69 43.924 -8.015 -21.172 1.00 22.54 ATOM 1039 N LEU 70 42.294 -8.476 -22.647 1.00 44.12 ATOM 1040 HN LEU 70 42.063 -8.896 -23.504 1.00 38.15 ATOM 1041 CA LEU 70 41.254 -7.756 -21.897 1.00 43.22 ATOM 1042 HA LEU 70 41.616 -6.752 -21.720 1.00 63.20 ATOM 1043 CB LEU 70 39.957 -7.675 -22.728 1.00 3.03 ATOM 1044 HB1 LEU 70 39.124 -7.557 -22.049 1.00 38.15 ATOM 1045 HB2 LEU 70 39.837 -8.612 -23.253 1.00 41.23 ATOM 1046 CG LEU 70 39.893 -6.534 -23.768 1.00 32.54 ATOM 1047 HG LEU 70 38.988 -6.643 -24.348 1.00 11.23 ATOM 1048 CD1 LEU 70 39.836 -5.174 -23.077 1.00 54.01 ATOM 1049 HD11 LEU 70 40.717 -5.039 -22.467 1.00 32.10 ATOM 1050 HD12 LEU 70 38.957 -5.125 -22.451 1.00 53.33 ATOM 1051 HD13 LEU 70 39.789 -4.391 -23.821 1.00 25.10 ATOM 1052 CD2 LEU 70 41.078 -6.595 -24.734 1.00 73.31 ATOM 1053 HD21 LEU 70 40.998 -5.792 -25.455 1.00 30.24 ATOM 1054 HD22 LEU 70 41.073 -7.542 -25.252 1.00 21.25 ATOM 1055 HD23 LEU 70 42.003 -6.491 -24.182 1.00 44.12 ATOM 1056 C LEU 70 40.990 -8.425 -20.532 1.00 10.34 ATOM 1057 O LEU 70 40.625 -7.760 -19.558 1.00 10.25 ATOM 1058 N ASP 71 41.185 -9.741 -20.467 1.00 22.02 ATOM 1059 HN ASP 71 41.413 -10.227 -21.286 1.00 38.15 ATOM 1060 CA ASP 71 41.060 -10.487 -19.208 1.00 53.32 ATOM 1061 HA ASP 71 40.134 -10.189 -18.735 1.00 32.42 ATOM 1062 CB ASP 71 41.016 -11.996 -19.501 1.00 4.32 ATOM 1063 HB1 ASP 71 41.986 -12.314 -19.862 1.00 38.15 ATOM 1064 HB2 ASP 71 40.280 -12.180 -20.271 1.00 65.12 ATOM 1065 CG ASP 71 40.659 -12.838 -18.281 1.00 74.13 ATOM 1066 OD1 ASP 71 39.549 -13.414 -18.254 1.00 61.34 ATOM 1067 OD2 ASP 71 41.482 -12.928 -17.347 1.00 30.25 ATOM 1068 C ASP 71 42.233 -10.156 -18.264 1.00 55.21 ATOM 1069 O ASP 71 42.028 -9.709 -17.133 1.00 11.12 ATOM 1070 N TYR 72 43.460 -10.366 -18.750 1.00 1.32 ATOM 1071 HN TYR 72 43.552 -10.727 -19.659 1.00 38.15 ATOM 1072 CA TYR 72 44.675 -10.083 -17.967 1.00 50.35 ATOM 1073 HA TYR 72 44.638 -10.696 -17.078 1.00 15.44 ATOM 1074 CB TYR 72 45.933 -10.456 -18.770 1.00 21.03 ATOM 1075 HB1 TYR 72 46.800 -10.018 -18.295 1.00 38.15 ATOM 1076 HB2 TYR 72 45.844 -10.058 -19.771 1.00 15.14 ATOM 1077 CG TYR 72 46.167 -11.953 -18.881 1.00 55.23 ATOM 1078 CD1 TYR 72 45.630 -12.693 -19.930 1.00 3.12 ATOM 1079 HD1 TYR 72 45.040 -12.189 -20.681 1.00 2.31 ATOM 1080 CD2 TYR 72 46.923 -12.626 -17.929 1.00 74.53 ATOM 1081 HD2 TYR 72 47.349 -12.068 -17.107 1.00 25.03 ATOM 1082 CE1 TYR 72 45.837 -14.058 -20.021 1.00 52.42 ATOM 1083 HE1 TYR 72 45.411 -14.615 -20.843 1.00 24.20 ATOM 1084 CE2 TYR 72 47.136 -13.987 -18.015 1.00 41.25 ATOM 1085 HE2 TYR 72 47.727 -14.488 -17.262 1.00 72.23 ATOM 1086 CZ TYR 72 46.593 -14.698 -19.064 1.00 3.13 ATOM 1087 OH TYR 72 46.800 -16.057 -19.146 1.00 23.11 ATOM 1088 HH TYR 72 46.619 -16.452 -18.283 1.00 25.43 ATOM 1089 C TYR 72 44.748 -8.609 -17.535 1.00 1.34 ATOM 1090 O TYR 72 45.112 -8.304 -16.401 1.00 64.21 ATOM 1091 N CYS 73 44.401 -7.700 -18.444 1.00 43.32 ATOM 1092 HN CYS 73 44.141 -7.998 -19.339 1.00 38.15 ATOM 1093 CA CYS 73 44.403 -6.262 -18.142 1.00 64.45 ATOM 1094 HA CYS 73 45.402 -6.000 -17.823 1.00 2.33 ATOM 1095 CB CYS 73 44.056 -5.442 -19.393 1.00 51.34 ATOM 1096 HB1 CYS 73 43.918 -4.407 -19.112 1.00 38.15 ATOM 1097 HB2 CYS 73 43.136 -5.817 -19.819 1.00 1.20 ATOM 1098 SG CYS 73 45.318 -5.494 -20.690 1.00 51.32 ATOM 1099 HG CYS 73 45.302 -6.702 -21.233 1.00 23.22 ATOM 1100 C CYS 73 43.427 -5.923 -17.008 1.00 75.00 ATOM 1101 O CYS 73 43.790 -5.238 -16.050 1.00 34.23 ATOM 1102 N SER 74 42.191 -6.413 -17.116 1.00 2.10 ATOM 1103 HN SER 74 41.956 -6.946 -17.905 1.00 38.15 ATOM 1104 CA SER 74 41.171 -6.178 -16.081 1.00 11.04 ATOM 1105 HA SER 74 41.084 -5.108 -15.945 1.00 71.43 ATOM 1106 CB SER 74 39.811 -6.731 -16.527 1.00 32.20 ATOM 1107 HB1 SER 74 39.908 -7.786 -16.744 1.00 38.15 ATOM 1108 HB2 SER 74 39.489 -6.212 -17.417 1.00 72.34 ATOM 1109 OG SER 74 38.822 -6.559 -15.520 1.00 41.50 ATOM 1110 HG SER 74 38.076 -7.144 -15.700 1.00 45.40 ATOM 1111 C SER 74 41.576 -6.812 -14.741 1.00 22.42 ATOM 1112 O SER 74 41.358 -6.235 -13.673 1.00 21.33 ATOM 1113 N GLY 75 42.172 -8.000 -14.804 1.00 24.35 ATOM 1114 HN GLY 75 42.283 -8.437 -15.677 1.00 38.15 ATOM 1115 CA GLY 75 42.647 -8.668 -13.597 1.00 43.33 ATOM 1116 HA1 GLY 75 42.973 -9.663 -13.860 1.00 38.15 ATOM 1117 HA2 GLY 75 41.827 -8.747 -12.897 1.00 23.44 ATOM 1118 C GLY 75 43.806 -7.936 -12.920 1.00 43.12 ATOM 1119 O GLY 75 43.813 -7.757 -11.701 1.00 52.25 ATOM 1120 N TYR 76 44.778 -7.495 -13.716 1.00 74.23 ATOM 1121 HN TYR 76 44.699 -7.633 -14.683 1.00 38.15 ATOM 1122 CA TYR 76 45.969 -6.829 -13.184 1.00 42.24 ATOM 1123 HA TYR 76 46.319 -7.415 -12.343 1.00 43.00 ATOM 1124 CB TYR 76 47.080 -6.781 -14.244 1.00 53.15 ATOM 1125 HB1 TYR 76 46.779 -6.117 -15.042 1.00 38.15 ATOM 1126 HB2 TYR 76 47.227 -7.774 -14.647 1.00 43.21 ATOM 1127 CG TYR 76 48.417 -6.298 -13.706 1.00 4.33 ATOM 1128 CD1 TYR 76 49.160 -5.325 -14.369 1.00 53.04 ATOM 1129 HD1 TYR 76 48.778 -4.907 -15.290 1.00 62.23 ATOM 1130 CD2 TYR 76 48.931 -6.818 -12.524 1.00 63.21 ATOM 1131 HD2 TYR 76 48.367 -7.572 -11.994 1.00 40.23 ATOM 1132 CE1 TYR 76 50.377 -4.894 -13.870 1.00 74.24 ATOM 1133 HE1 TYR 76 50.941 -4.138 -14.399 1.00 61.12 ATOM 1134 CE2 TYR 76 50.141 -6.391 -12.021 1.00 54.04 ATOM 1135 HE2 TYR 76 50.519 -6.811 -11.101 1.00 65.51 ATOM 1136 CZ TYR 76 50.861 -5.431 -12.693 1.00 34.44 ATOM 1137 OH TYR 76 52.073 -5.012 -12.189 1.00 35.41 ATOM 1138 HH TYR 76 52.144 -4.057 -12.274 1.00 23.35 ATOM 1139 C TYR 76 45.658 -5.409 -12.687 1.00 62.44 ATOM 1140 O TYR 76 46.171 -4.986 -11.651 1.00 1.44 ATOM 1141 N VAL 77 44.820 -4.670 -13.421 1.00 12.02 ATOM 1142 HN VAL 77 44.423 -5.057 -14.231 1.00 38.15 ATOM 1143 CA VAL 77 44.489 -3.288 -13.041 1.00 62.53 ATOM 1144 HA VAL 77 45.418 -2.735 -13.006 1.00 22.51 ATOM 1145 CB VAL 77 43.563 -2.603 -14.082 1.00 73.32 ATOM 1146 HB VAL 77 43.974 -2.791 -15.064 1.00 51.51 ATOM 1147 CG1 VAL 77 42.152 -3.183 -14.052 1.00 70.40 ATOM 1148 HG11 VAL 77 41.553 -2.710 -14.818 1.00 54.44 ATOM 1149 HG12 VAL 77 41.706 -2.998 -13.084 1.00 22.24 ATOM 1150 HG13 VAL 77 42.192 -4.245 -14.232 1.00 41.35 ATOM 1151 CG2 VAL 77 43.536 -1.094 -13.868 1.00 43.24 ATOM 1152 HG21 VAL 77 44.537 -0.698 -13.960 1.00 63.14 ATOM 1153 HG22 VAL 77 43.153 -0.875 -12.880 1.00 24.11 ATOM 1154 HG23 VAL 77 42.899 -0.634 -14.609 1.00 53.45 ATOM 1155 C VAL 77 43.840 -3.232 -11.647 1.00 50.55 ATOM 1156 O VAL 77 44.050 -2.287 -10.887 1.00 34.22 ATOM 1157 N ASP 78 43.075 -4.270 -11.317 1.00 14.31 ATOM 1158 HN ASP 78 42.914 -4.969 -11.986 1.00 38.15 ATOM 1159 CA ASP 78 42.462 -4.409 -9.992 1.00 60.23 ATOM 1160 HA ASP 78 41.838 -3.544 -9.816 1.00 53.22 ATOM 1161 CB ASP 78 41.586 -5.674 -9.983 1.00 73.21 ATOM 1162 HB1 ASP 78 42.218 -6.539 -10.137 1.00 38.15 ATOM 1163 HB2 ASP 78 40.879 -5.612 -10.798 1.00 13.24 ATOM 1164 CG ASP 78 40.806 -5.869 -8.690 1.00 45.11 ATOM 1165 OD1 ASP 78 39.677 -5.343 -8.584 1.00 61.32 ATOM 1166 OD2 ASP 78 41.302 -6.567 -7.783 1.00 13.35 ATOM 1167 C ASP 78 43.543 -4.485 -8.894 1.00 73.44 ATOM 1168 O ASP 78 43.305 -4.128 -7.738 1.00 70.21 ATOM 1169 N CYS 79 44.740 -4.927 -9.281 1.00 15.15 ATOM 1170 HN CYS 79 44.881 -5.129 -10.229 1.00 38.15 ATOM 1171 CA CYS 79 45.848 -5.137 -8.339 1.00 63.43 ATOM 1172 HA CYS 79 45.449 -5.073 -7.337 1.00 75.21 ATOM 1173 CB CYS 79 46.424 -6.543 -8.541 1.00 30.45 ATOM 1174 HB1 CYS 79 47.215 -6.708 -7.823 1.00 38.15 ATOM 1175 HB2 CYS 79 46.828 -6.621 -9.541 1.00 12.21 ATOM 1176 SG CYS 79 45.211 -7.868 -8.338 1.00 52.43 ATOM 1177 HG CYS 79 44.968 -8.388 -9.537 1.00 63.32 ATOM 1178 C CYS 79 46.979 -4.098 -8.481 1.00 34.31 ATOM 1179 O CYS 79 47.966 -4.163 -7.745 1.00 1.21 ATOM 1180 N ILE 80 46.850 -3.148 -9.418 1.00 1.45 ATOM 1181 HN ILE 80 46.038 -3.125 -9.968 1.00 38.15 ATOM 1182 CA ILE 80 47.905 -2.138 -9.645 1.00 61.35 ATOM 1183 HA ILE 80 48.853 -2.658 -9.646 1.00 23.42 ATOM 1184 CB ILE 80 47.752 -1.433 -11.024 1.00 54.44 ATOM 1185 HB ILE 80 46.752 -1.026 -11.084 1.00 71.43 ATOM 1186 CG1 ILE 80 47.950 -2.437 -12.174 1.00 73.55 ATOM 1187 HG11 ILE 80 47.194 -3.206 -12.105 1.00 38.15 ATOM 1188 HG12 ILE 80 48.925 -2.893 -12.085 1.00 63.13 ATOM 1189 CG2 ILE 80 48.741 -0.268 -11.153 1.00 13.43 ATOM 1190 HG21 ILE 80 49.753 -0.639 -11.062 1.00 62.41 ATOM 1191 HG22 ILE 80 48.554 0.455 -10.372 1.00 21.01 ATOM 1192 HG23 ILE 80 48.618 0.207 -12.115 1.00 24.34 ATOM 1193 CD1 ILE 80 47.857 -1.818 -13.557 1.00 74.32 ATOM 1194 HD11 ILE 80 47.970 -2.591 -14.303 1.00 43.53 ATOM 1195 HD12 ILE 80 48.641 -1.086 -13.679 1.00 4.23 ATOM 1196 HD13 ILE 80 46.895 -1.340 -13.677 1.00 70.11 ATOM 1197 C ILE 80 47.937 -1.066 -8.535 1.00 14.53 ATOM 1198 O ILE 80 46.958 -0.342 -8.329 1.00 13.31 ATOM 1199 N PRO 81 49.077 -0.946 -7.813 1.00 55.51 ATOM 1200 CA PRO 81 49.258 0.068 -6.760 1.00 41.22 ATOM 1201 HA PRO 81 48.424 0.065 -6.071 1.00 22.42 ATOM 1202 CB PRO 81 50.536 -0.392 -6.020 1.00 25.34 ATOM 1203 HB1 PRO 81 50.344 -0.422 -4.957 1.00 38.15 ATOM 1204 HB2 PRO 81 51.344 0.300 -6.220 1.00 63.23 ATOM 1205 CG PRO 81 50.847 -1.755 -6.554 1.00 0.44 ATOM 1206 HG1 PRO 81 50.387 -2.509 -5.929 1.00 38.15 ATOM 1207 HG2 PRO 81 51.918 -1.901 -6.589 1.00 30.12 ATOM 1208 CD PRO 81 50.268 -1.800 -7.939 1.00 51.44 ATOM 1209 HD1 PRO 81 49.995 -2.811 -8.206 1.00 38.15 ATOM 1210 HD2 PRO 81 50.965 -1.391 -8.658 1.00 12.20 ATOM 1211 C PRO 81 49.444 1.492 -7.316 1.00 30.20 ATOM 1212 O PRO 81 48.836 2.446 -6.824 1.00 35.25 ATOM 1213 N GLN 82 50.288 1.637 -8.341 1.00 50.22 ATOM 1214 HN GLN 82 50.721 0.842 -8.719 1.00 38.15 ATOM 1215 CA GLN 82 50.574 2.957 -8.920 1.00 3.23 ATOM 1216 HA GLN 82 50.786 3.633 -8.101 1.00 30.52 ATOM 1217 CB GLN 82 51.802 2.906 -9.847 1.00 12.20 ATOM 1218 HB1 GLN 82 51.964 3.893 -10.260 1.00 38.15 ATOM 1219 HB2 GLN 82 51.595 2.222 -10.658 1.00 54.42 ATOM 1220 CG GLN 82 53.097 2.457 -9.169 1.00 23.24 ATOM 1221 HG1 GLN 82 53.227 3.024 -8.258 1.00 38.15 ATOM 1222 HG2 GLN 82 53.924 2.659 -9.835 1.00 25.10 ATOM 1223 CD GLN 82 53.111 0.976 -8.828 1.00 63.33 ATOM 1224 OE1 GLN 82 52.481 0.167 -9.504 1.00 20.02 ATOM 1225 NE2 GLN 82 53.818 0.606 -7.781 1.00 1.34 ATOM 1226 HE21 GLN 82 54.293 1.294 -7.274 1.00 34.44 ATOM 1227 HE22 GLN 82 53.845 -0.350 -7.559 1.00 1.23 ATOM 1228 C GLN 82 49.363 3.495 -9.694 1.00 42.34 ATOM 1229 O GLN 82 49.190 3.206 -10.879 1.00 12.32 ATOM 1230 N THR 83 48.524 4.274 -9.014 1.00 73.25 ATOM 1231 HN THR 83 48.715 4.466 -8.069 1.00 38.15 ATOM 1232 CA THR 83 47.303 4.828 -9.621 1.00 32.33 ATOM 1233 HA THR 83 46.669 3.994 -9.895 1.00 71.05 ATOM 1234 CB THR 83 46.521 5.712 -8.623 1.00 1.32 ATOM 1235 HB THR 83 47.102 6.599 -8.413 1.00 71.54 ATOM 1236 OG1 THR 83 46.304 4.992 -7.401 1.00 54.20 ATOM 1237 HG1 THR 83 45.926 5.585 -6.739 1.00 21.52 ATOM 1238 CG2 THR 83 45.174 6.132 -9.206 1.00 41.03 ATOM 1239 HG21 THR 83 44.645 6.744 -8.490 1.00 34.24 ATOM 1240 HG22 THR 83 44.587 5.253 -9.429 1.00 22.23 ATOM 1241 HG23 THR 83 45.331 6.698 -10.115 1.00 41.14 ATOM 1242 C THR 83 47.608 5.648 -10.885 1.00 70.42 ATOM 1243 O THR 83 46.829 5.639 -11.840 1.00 61.15 ATOM 1244 N ARG 84 48.744 6.347 -10.892 1.00 14.25 ATOM 1245 HN ARG 84 49.300 6.357 -10.084 1.00 38.15 ATOM 1246 CA ARG 84 49.179 7.103 -12.078 1.00 12.34 ATOM 1247 HA ARG 84 48.444 7.875 -12.263 1.00 34.22 ATOM 1248 CB ARG 84 50.540 7.765 -11.824 1.00 45.10 ATOM 1249 HB1 ARG 84 50.862 8.259 -12.732 1.00 38.15 ATOM 1250 HB2 ARG 84 51.260 6.997 -11.572 1.00 71.04 ATOM 1251 CG ARG 84 50.530 8.797 -10.697 1.00 54.52 ATOM 1252 HG1 ARG 84 51.545 9.121 -10.513 1.00 38.15 ATOM 1253 HG2 ARG 84 50.135 8.333 -9.803 1.00 15.44 ATOM 1254 CD ARG 84 49.674 10.018 -11.034 1.00 20.23 ATOM 1255 HD1 ARG 84 48.649 9.701 -11.176 1.00 38.15 ATOM 1256 HD2 ARG 84 50.042 10.459 -11.949 1.00 71.11 ATOM 1257 NE ARG 84 49.714 11.022 -9.969 1.00 25.22 ATOM 1258 HE ARG 84 49.865 10.705 -9.056 1.00 2.32 ATOM 1259 CZ ARG 84 49.574 12.308 -10.156 1.00 11.23 ATOM 1260 NH1 ARG 84 49.361 12.793 -11.335 1.00 30.35 ATOM 1261 HH11 ARG 84 49.301 12.185 -12.123 1.00 51.20 ATOM 1262 HH12 ARG 84 49.262 13.778 -11.455 1.00 21.11 ATOM 1263 NH2 ARG 84 49.635 13.115 -9.150 1.00 14.23 ATOM 1264 HH21 ARG 84 49.794 12.755 -8.231 1.00 25.32 ATOM 1265 HH22 ARG 84 49.529 14.095 -9.293 1.00 1.05 ATOM 1266 C ARG 84 49.259 6.191 -13.314 1.00 51.43 ATOM 1267 O ARG 84 48.714 6.507 -14.372 1.00 32.43 ATOM 1268 N ASN 85 49.935 5.051 -13.168 1.00 44.34 ATOM 1269 HN ASN 85 50.401 4.878 -12.325 1.00 38.15 ATOM 1270 CA ASN 85 50.002 4.050 -14.239 1.00 40.23 ATOM 1271 HA ASN 85 50.299 4.556 -15.147 1.00 24.22 ATOM 1272 CB ASN 85 51.040 2.966 -13.908 1.00 3.13 ATOM 1273 HB1 ASN 85 51.020 2.209 -14.680 1.00 38.15 ATOM 1274 HB2 ASN 85 50.785 2.511 -12.961 1.00 44.43 ATOM 1275 CG ASN 85 52.452 3.509 -13.808 1.00 33.31 ATOM 1276 OD1 ASN 85 52.792 4.512 -14.426 1.00 20.24 ATOM 1277 ND2 ASN 85 53.292 2.840 -13.041 1.00 10.42 ATOM 1278 HD21 ASN 85 52.967 2.040 -12.585 1.00 61.43 ATOM 1279 HD22 ASN 85 54.211 3.172 -12.966 1.00 13.22 ATOM 1280 C ASN 85 48.633 3.393 -14.465 1.00 61.41 ATOM 1281 O ASN 85 48.262 3.090 -15.592 1.00 64.10 ATOM 1282 N LYS 86 47.890 3.188 -13.381 1.00 73.12 ATOM 1283 HN LYS 86 48.225 3.503 -12.517 1.00 38.15 ATOM 1284 CA LYS 86 46.592 2.506 -13.431 1.00 10.40 ATOM 1285 HA LYS 86 46.754 1.535 -13.879 1.00 71.23 ATOM 1286 CB LYS 86 46.072 2.303 -11.999 1.00 74.13 ATOM 1287 HB1 LYS 86 45.869 3.272 -11.564 1.00 38.15 ATOM 1288 HB2 LYS 86 46.845 1.819 -11.417 1.00 14.42 ATOM 1289 CG LYS 86 44.804 1.460 -11.895 1.00 3.12 ATOM 1290 HG1 LYS 86 44.902 0.601 -12.544 1.00 38.15 ATOM 1291 HG2 LYS 86 43.959 2.055 -12.212 1.00 53.32 ATOM 1292 CD LYS 86 44.562 0.975 -10.465 1.00 22.33 ATOM 1293 HD1 LYS 86 45.409 0.380 -10.151 1.00 38.15 ATOM 1294 HD2 LYS 86 43.670 0.366 -10.449 1.00 35.01 ATOM 1295 CE LYS 86 44.382 2.129 -9.487 1.00 12.33 ATOM 1296 HE1 LYS 86 43.468 2.652 -9.733 1.00 38.15 ATOM 1297 HE2 LYS 86 45.219 2.804 -9.585 1.00 74.54 ATOM 1298 NZ LYS 86 44.305 1.660 -8.078 1.00 1.24 ATOM 1299 HZ1 LYS 86 43.532 0.971 -7.966 1.00 42.23 ATOM 1300 HZ2 LYS 86 44.126 2.465 -7.445 1.00 31.51 ATOM 1301 HZ3 LYS 86 45.200 1.207 -7.797 1.00 22.12 ATOM 1302 C LYS 86 45.568 3.273 -14.291 1.00 22.43 ATOM 1303 O LYS 86 44.774 2.665 -15.013 1.00 43.32 ATOM 1304 N PHE 87 45.594 4.606 -14.225 1.00 32.15 ATOM 1305 HN PHE 87 46.210 5.043 -13.599 1.00 38.15 ATOM 1306 CA PHE 87 44.711 5.433 -15.061 1.00 2.04 ATOM 1307 HA PHE 87 43.702 5.060 -14.950 1.00 23.25 ATOM 1308 CB PHE 87 44.757 6.899 -14.605 1.00 11.34 ATOM 1309 HB1 PHE 87 45.683 7.340 -14.947 1.00 38.15 ATOM 1310 HB2 PHE 87 44.724 6.935 -13.526 1.00 72.33 ATOM 1311 CG PHE 87 43.622 7.743 -15.134 1.00 44.42 ATOM 1312 CD1 PHE 87 43.792 8.555 -16.249 1.00 64.33 ATOM 1313 HD1 PHE 87 44.751 8.582 -16.746 1.00 25.13 ATOM 1314 CD2 PHE 87 42.382 7.722 -14.511 1.00 75.02 ATOM 1315 HD2 PHE 87 42.237 7.096 -13.640 1.00 23.55 ATOM 1316 CE1 PHE 87 42.749 9.326 -16.728 1.00 2.30 ATOM 1317 HE1 PHE 87 42.894 9.953 -17.596 1.00 72.40 ATOM 1318 CE2 PHE 87 41.337 8.491 -14.986 1.00 33.24 ATOM 1319 HE2 PHE 87 40.377 8.463 -14.492 1.00 75.04 ATOM 1320 CZ PHE 87 41.521 9.293 -16.096 1.00 41.44 ATOM 1321 HZ PHE 87 40.705 9.896 -16.469 1.00 11.11 ATOM 1322 C PHE 87 45.119 5.332 -16.540 1.00 45.24 ATOM 1323 O PHE 87 44.293 5.044 -17.412 1.00 75.52 ATOM 1324 N ALA 88 46.405 5.566 -16.808 1.00 11.02 ATOM 1325 HN ALA 88 46.999 5.838 -16.075 1.00 38.15 ATOM 1326 CA ALA 88 46.962 5.437 -18.159 1.00 2.22 ATOM 1327 HA ALA 88 46.454 6.145 -18.800 1.00 71.24 ATOM 1328 CB ALA 88 48.447 5.783 -18.150 1.00 15.54 ATOM 1329 HB1 ALA 88 48.581 6.786 -17.772 1.00 11.13 ATOM 1330 HB2 ALA 88 48.840 5.722 -19.155 1.00 44.55 ATOM 1331 HB3 ALA 88 48.976 5.086 -17.515 1.00 65.12 ATOM 1332 C ALA 88 46.752 4.022 -18.713 1.00 15.02 ATOM 1333 O ALA 88 46.550 3.827 -19.910 1.00 34.52 ATOM 1334 N PHE 89 46.792 3.040 -17.822 1.00 41.02 ATOM 1335 HN PHE 89 46.990 3.259 -16.890 1.00 38.15 ATOM 1336 CA PHE 89 46.561 1.644 -18.186 1.00 44.42 ATOM 1337 HA PHE 89 47.276 1.377 -18.953 1.00 0.02 ATOM 1338 CB PHE 89 46.785 0.749 -16.958 1.00 41.12 ATOM 1339 HB1 PHE 89 46.032 0.976 -16.216 1.00 38.15 ATOM 1340 HB2 PHE 89 47.760 0.963 -16.543 1.00 74.14 ATOM 1341 CG PHE 89 46.723 -0.726 -17.250 1.00 75.24 ATOM 1342 CD1 PHE 89 45.549 -1.438 -17.055 1.00 62.02 ATOM 1343 HD1 PHE 89 44.671 -0.925 -16.690 1.00 52.32 ATOM 1344 CD2 PHE 89 47.841 -1.399 -17.718 1.00 35.33 ATOM 1345 HD2 PHE 89 48.762 -0.856 -17.872 1.00 30.41 ATOM 1346 CE1 PHE 89 45.492 -2.789 -17.322 1.00 13.11 ATOM 1347 HE1 PHE 89 44.572 -3.332 -17.165 1.00 62.30 ATOM 1348 CE2 PHE 89 47.788 -2.750 -17.986 1.00 41.12 ATOM 1349 HE2 PHE 89 48.665 -3.265 -18.351 1.00 70.41 ATOM 1350 CZ PHE 89 46.613 -3.446 -17.787 1.00 33.03 ATOM 1351 HZ PHE 89 46.570 -4.504 -17.998 1.00 44.21 ATOM 1352 C PHE 89 45.141 1.452 -18.740 1.00 42.54 ATOM 1353 O PHE 89 44.952 0.842 -19.791 1.00 33.34 ATOM 1354 N ARG 90 44.147 1.992 -18.031 1.00 13.40 ATOM 1355 HN ARG 90 44.358 2.456 -17.191 1.00 38.15 ATOM 1356 CA ARG 90 42.750 1.908 -18.474 1.00 33.42 ATOM 1357 HA ARG 90 42.500 0.861 -18.558 1.00 55.10 ATOM 1358 CB ARG 90 41.810 2.558 -17.446 1.00 24.24 ATOM 1359 HB1 ARG 90 40.817 2.614 -17.869 1.00 38.15 ATOM 1360 HB2 ARG 90 42.157 3.561 -17.245 1.00 64.13 ATOM 1361 CG ARG 90 41.717 1.815 -16.114 1.00 34.44 ATOM 1362 HG1 ARG 90 40.950 2.282 -15.509 1.00 38.15 ATOM 1363 HG2 ARG 90 42.667 1.890 -15.606 1.00 24.22 ATOM 1364 CD ARG 90 41.371 0.336 -16.298 1.00 23.41 ATOM 1365 HD1 ARG 90 41.150 -0.089 -15.328 1.00 38.15 ATOM 1366 HD2 ARG 90 42.229 -0.169 -16.718 1.00 52.12 ATOM 1367 NE ARG 90 40.225 0.124 -17.182 1.00 62.31 ATOM 1368 HE ARG 90 40.102 0.752 -17.920 1.00 24.44 ATOM 1369 CZ ARG 90 39.394 -0.877 -17.088 1.00 31.35 ATOM 1370 NH1 ARG 90 39.429 -1.678 -16.070 1.00 3.21 ATOM 1371 HH11 ARG 90 40.091 -1.529 -15.339 1.00 4.05 ATOM 1372 HH12 ARG 90 38.793 -2.446 -16.024 1.00 61.51 ATOM 1373 NH2 ARG 90 38.489 -1.051 -17.992 1.00 3.11 ATOM 1374 HH21 ARG 90 38.426 -0.419 -18.766 1.00 30.54 ATOM 1375 HH22 ARG 90 37.856 -1.818 -17.918 1.00 30.44 ATOM 1376 C ARG 90 42.546 2.566 -19.847 1.00 33.31 ATOM 1377 O ARG 90 41.975 1.959 -20.757 1.00 31.35 ATOM 1378 N GLU 91 43.018 3.804 -19.997 1.00 52.13 ATOM 1379 HN GLU 91 43.483 4.233 -19.249 1.00 38.15 ATOM 1380 CA GLU 91 42.856 4.533 -21.260 1.00 12.32 ATOM 1381 HA GLU 91 41.798 4.543 -21.490 1.00 15.11 ATOM 1382 CB GLU 91 43.340 5.992 -21.125 1.00 22.20 ATOM 1383 HB1 GLU 91 42.866 6.434 -20.254 1.00 38.15 ATOM 1384 HB2 GLU 91 43.034 6.544 -22.003 1.00 5.22 ATOM 1385 CG GLU 91 44.846 6.152 -20.966 1.00 73.51 ATOM 1386 HG1 GLU 91 45.334 5.716 -21.828 1.00 38.15 ATOM 1387 HG2 GLU 91 45.159 5.625 -20.076 1.00 14.33 ATOM 1388 CD GLU 91 45.273 7.608 -20.846 1.00 63.34 ATOM 1389 OE1 GLU 91 45.766 8.175 -21.847 1.00 22.32 ATOM 1390 OE2 GLU 91 45.102 8.199 -19.757 1.00 41.23 ATOM 1391 C GLU 91 43.586 3.814 -22.408 1.00 54.31 ATOM 1392 O GLU 91 43.093 3.770 -23.533 1.00 13.12 ATOM 1393 N ALA 92 44.745 3.225 -22.112 1.00 4.13 ATOM 1394 HN ALA 92 45.109 3.317 -21.205 1.00 38.15 ATOM 1395 CA ALA 92 45.497 2.450 -23.108 1.00 65.22 ATOM 1396 HA ALA 92 45.654 3.086 -23.970 1.00 35.35 ATOM 1397 CB ALA 92 46.861 2.065 -22.549 1.00 11.12 ATOM 1398 HB1 ALA 92 46.731 1.422 -21.691 1.00 65.45 ATOM 1399 HB2 ALA 92 47.394 2.957 -22.252 1.00 13.05 ATOM 1400 HB3 ALA 92 47.426 1.545 -23.308 1.00 31.10 ATOM 1401 C ALA 92 44.719 1.197 -23.550 1.00 3.11 ATOM 1402 O ALA 92 44.608 0.907 -24.745 1.00 63.21 ATOM 1403 N VAL 93 44.176 0.461 -22.578 1.00 14.10 ATOM 1404 HN VAL 93 44.344 0.711 -21.643 1.00 38.15 ATOM 1405 CA VAL 93 43.343 -0.716 -22.864 1.00 42.42 ATOM 1406 HA VAL 93 43.951 -1.425 -23.409 1.00 52.14 ATOM 1407 CB VAL 93 42.865 -1.393 -21.551 1.00 54.01 ATOM 1408 HB VAL 93 42.373 -0.645 -20.945 1.00 50.34 ATOM 1409 CG1 VAL 93 41.865 -2.515 -21.827 1.00 24.51 ATOM 1410 HG11 VAL 93 42.327 -3.266 -22.452 1.00 23.03 ATOM 1411 HG12 VAL 93 40.999 -2.112 -22.331 1.00 21.24 ATOM 1412 HG13 VAL 93 41.559 -2.966 -20.892 1.00 71.12 ATOM 1413 CG2 VAL 93 44.058 -1.928 -20.765 1.00 63.11 ATOM 1414 HG21 VAL 93 44.556 -2.695 -21.343 1.00 52.10 ATOM 1415 HG22 VAL 93 43.714 -2.348 -19.831 1.00 60.01 ATOM 1416 HG23 VAL 93 44.750 -1.123 -20.565 1.00 33.24 ATOM 1417 C VAL 93 42.129 -0.341 -23.732 1.00 2.22 ATOM 1418 O VAL 93 41.706 -1.112 -24.598 1.00 2.20 ATOM 1419 N SER 94 41.588 0.858 -23.504 1.00 20.35 ATOM 1420 HN SER 94 41.938 1.403 -22.767 1.00 38.15 ATOM 1421 CA SER 94 40.473 1.374 -24.313 1.00 32.42 ATOM 1422 HA SER 94 39.640 0.693 -24.194 1.00 52.13 ATOM 1423 CB SER 94 40.046 2.766 -23.824 1.00 13.52 ATOM 1424 HB1 SER 94 40.880 3.449 -23.915 1.00 38.15 ATOM 1425 HB2 SER 94 39.746 2.706 -22.787 1.00 75.24 ATOM 1426 OG SER 94 38.955 3.273 -24.583 1.00 52.12 ATOM 1427 HG SER 94 38.204 2.668 -24.508 1.00 12.34 ATOM 1428 C SER 94 40.844 1.436 -25.804 1.00 14.31 ATOM 1429 O SER 94 40.016 1.164 -26.674 1.00 20.13 ATOM 1430 N LYS 95 42.096 1.788 -26.100 1.00 75.53 ATOM 1431 HN LYS 95 42.704 2.050 -25.374 1.00 38.15 ATOM 1432 CA LYS 95 42.585 1.793 -27.485 1.00 52.24 ATOM 1433 HA LYS 95 41.873 2.347 -28.082 1.00 64.40 ATOM 1434 CB LYS 95 43.958 2.484 -27.582 1.00 53.33 ATOM 1435 HB1 LYS 95 44.447 2.163 -28.491 1.00 38.15 ATOM 1436 HB2 LYS 95 44.561 2.175 -26.740 1.00 54.13 ATOM 1437 CG LYS 95 43.906 4.014 -27.592 1.00 31.22 ATOM 1438 HG1 LYS 95 43.325 4.337 -28.445 1.00 38.15 ATOM 1439 HG2 LYS 95 44.915 4.394 -27.684 1.00 61.40 ATOM 1440 CD LYS 95 43.282 4.586 -26.324 1.00 23.34 ATOM 1441 HD1 LYS 95 43.819 4.203 -25.467 1.00 38.15 ATOM 1442 HD2 LYS 95 42.248 4.274 -26.270 1.00 2.31 ATOM 1443 CE LYS 95 43.337 6.108 -26.301 1.00 21.02 ATOM 1444 HE1 LYS 95 42.836 6.461 -25.411 1.00 38.15 ATOM 1445 HE2 LYS 95 42.827 6.490 -27.173 1.00 74.23 ATOM 1446 NZ LYS 95 44.736 6.613 -26.300 1.00 65.25 ATOM 1447 HZ1 LYS 95 44.743 7.650 -26.374 1.00 41.43 ATOM 1448 HZ2 LYS 95 45.265 6.218 -27.102 1.00 63.34 ATOM 1449 HZ3 LYS 95 45.215 6.339 -25.419 1.00 42.11 ATOM 1450 C LYS 95 42.680 0.364 -28.046 1.00 44.30 ATOM 1451 O LYS 95 42.346 0.119 -29.206 1.00 54.42 ATOM 1452 N LEU 96 43.129 -0.577 -27.212 1.00 10.43 ATOM 1453 HN LEU 96 43.368 -0.326 -26.292 1.00 38.15 ATOM 1454 CA LEU 96 43.278 -1.976 -27.635 1.00 51.20 ATOM 1455 HA LEU 96 43.933 -1.990 -28.495 1.00 70.02 ATOM 1456 CB LEU 96 43.924 -2.803 -26.511 1.00 13.32 ATOM 1457 HB1 LEU 96 43.284 -2.750 -25.642 1.00 38.15 ATOM 1458 HB2 LEU 96 44.874 -2.348 -26.261 1.00 30.04 ATOM 1459 CG LEU 96 44.169 -4.288 -26.838 1.00 33.05 ATOM 1460 HG LEU 96 43.227 -4.745 -27.113 1.00 45.15 ATOM 1461 CD1 LEU 96 45.123 -4.437 -28.023 1.00 50.12 ATOM 1462 HD11 LEU 96 46.074 -3.982 -27.784 1.00 10.41 ATOM 1463 HD12 LEU 96 44.699 -3.950 -28.890 1.00 52.40 ATOM 1464 HD13 LEU 96 45.270 -5.485 -28.238 1.00 34.23 ATOM 1465 CD2 LEU 96 44.708 -5.029 -25.615 1.00 12.25 ATOM 1466 HD21 LEU 96 43.983 -4.982 -24.816 1.00 2.32 ATOM 1467 HD22 LEU 96 45.630 -4.567 -25.289 1.00 23.21 ATOM 1468 HD23 LEU 96 44.894 -6.062 -25.869 1.00 55.33 ATOM 1469 C LEU 96 41.926 -2.595 -28.034 1.00 3.34 ATOM 1470 O LEU 96 41.781 -3.138 -29.131 1.00 71.21 ATOM 1471 N GLU 97 40.933 -2.486 -27.149 1.00 52.25 ATOM 1472 HN GLU 97 41.097 -2.009 -26.306 1.00 38.15 ATOM 1473 CA GLU 97 39.604 -3.064 -27.398 1.00 43.21 ATOM 1474 HA GLU 97 39.744 -4.121 -27.582 1.00 22.42 ATOM 1475 CB GLU 97 38.699 -2.900 -26.165 1.00 30.24 ATOM 1476 HB1 GLU 97 39.134 -3.448 -25.341 1.00 38.15 ATOM 1477 HB2 GLU 97 37.729 -3.322 -26.389 1.00 53.43 ATOM 1478 CG GLU 97 38.498 -1.454 -25.723 1.00 42.33 ATOM 1479 HG1 GLU 97 38.242 -0.860 -26.588 1.00 38.15 ATOM 1480 HG2 GLU 97 39.425 -1.086 -25.302 1.00 12.34 ATOM 1481 CD GLU 97 37.397 -1.301 -24.684 1.00 74.50 ATOM 1482 OE1 GLU 97 36.219 -1.159 -25.080 1.00 2.22 ATOM 1483 OE2 GLU 97 37.696 -1.323 -23.471 1.00 52.31 ATOM 1484 C GLU 97 38.929 -2.445 -28.641 1.00 4.03 ATOM 1485 O GLU 97 38.372 -3.163 -29.480 1.00 24.32 ATOM 1486 N LEU 98 38.982 -1.116 -28.760 1.00 45.21 ATOM 1487 HN LEU 98 39.403 -0.590 -28.045 1.00 38.15 ATOM 1488 CA LEU 98 38.422 -0.419 -29.927 1.00 31.30 ATOM 1489 HA LEU 98 37.376 -0.688 -29.988 1.00 42.00 ATOM 1490 CB LEU 98 38.529 1.109 -29.755 1.00 2.41 ATOM 1491 HB1 LEU 98 38.663 1.557 -30.731 1.00 38.15 ATOM 1492 HB2 LEU 98 39.410 1.321 -29.164 1.00 54.24 ATOM 1493 CG LEU 98 37.325 1.792 -29.081 1.00 41.24 ATOM 1494 HG LEU 98 37.535 2.848 -28.982 1.00 50.30 ATOM 1495 CD1 LEU 98 36.072 1.648 -29.943 1.00 12.32 ATOM 1496 HD11 LEU 98 36.238 2.121 -30.900 1.00 21.43 ATOM 1497 HD12 LEU 98 35.235 2.121 -29.449 1.00 43.25 ATOM 1498 HD13 LEU 98 35.854 0.599 -30.094 1.00 53.43 ATOM 1499 CD2 LEU 98 37.084 1.230 -27.683 1.00 12.02 ATOM 1500 HD21 LEU 98 37.955 1.407 -27.070 1.00 60.10 ATOM 1501 HD22 LEU 98 36.899 0.166 -27.744 1.00 3.11 ATOM 1502 HD23 LEU 98 36.228 1.718 -27.240 1.00 34.20 ATOM 1503 C LEU 98 39.107 -0.862 -31.230 1.00 11.44 ATOM 1504 O LEU 98 38.441 -1.190 -32.214 1.00 20.23 ATOM 1505 N SER 99 40.434 -0.886 -31.226 1.00 23.43 ATOM 1506 HN SER 99 40.915 -0.613 -30.415 1.00 38.15 ATOM 1507 CA SER 99 41.201 -1.297 -32.410 1.00 71.32 ATOM 1508 HA SER 99 40.926 -0.635 -33.219 1.00 10.20 ATOM 1509 CB SER 99 42.705 -1.152 -32.148 1.00 3.14 ATOM 1510 HB1 SER 99 43.253 -1.425 -33.039 1.00 38.15 ATOM 1511 HB2 SER 99 42.992 -1.804 -31.335 1.00 11.41 ATOM 1512 OG SER 99 43.038 0.186 -31.798 1.00 1.11 ATOM 1513 HG SER 99 43.337 0.212 -30.880 1.00 63.33 ATOM 1514 C SER 99 40.870 -2.739 -32.828 1.00 40.24 ATOM 1515 O SER 99 40.812 -3.057 -34.016 1.00 44.13 ATOM 1516 N LEU 100 40.643 -3.610 -31.846 1.00 71.14 ATOM 1517 HN LEU 100 40.740 -3.313 -30.915 1.00 38.15 ATOM 1518 CA LEU 100 40.264 -5.003 -32.119 1.00 25.25 ATOM 1519 HA LEU 100 40.982 -5.406 -32.821 1.00 1.11 ATOM 1520 CB LEU 100 40.323 -5.834 -30.827 1.00 62.23 ATOM 1521 HB1 LEU 100 39.866 -6.795 -31.021 1.00 38.15 ATOM 1522 HB2 LEU 100 39.738 -5.324 -30.072 1.00 72.44 ATOM 1523 CG LEU 100 41.735 -6.076 -30.262 1.00 3.30 ATOM 1524 HG LEU 100 42.218 -5.122 -30.101 1.00 54.52 ATOM 1525 CD1 LEU 100 41.670 -6.797 -28.919 1.00 74.24 ATOM 1526 HD11 LEU 100 41.109 -6.198 -28.216 1.00 64.41 ATOM 1527 HD12 LEU 100 42.672 -6.947 -28.542 1.00 73.31 ATOM 1528 HD13 LEU 100 41.185 -7.756 -29.044 1.00 53.11 ATOM 1529 CD2 LEU 100 42.585 -6.868 -31.256 1.00 53.52 ATOM 1530 HD21 LEU 100 42.121 -7.825 -31.447 1.00 53.33 ATOM 1531 HD22 LEU 100 43.572 -7.023 -30.844 1.00 62.42 ATOM 1532 HD23 LEU 100 42.666 -6.316 -32.180 1.00 1.23 ATOM 1533 C LEU 100 38.859 -5.106 -32.744 1.00 40.13 ATOM 1534 O LEU 100 38.650 -5.856 -33.703 1.00 12.22 ATOM 1535 N GLN 101 37.895 -4.357 -32.202 1.00 51.12 ATOM 1536 HN GLN 101 38.115 -3.757 -31.457 1.00 38.15 ATOM 1537 CA GLN 101 36.511 -4.421 -32.695 1.00 25.23 ATOM 1538 HA GLN 101 36.259 -5.468 -32.792 1.00 43.20 ATOM 1539 CB GLN 101 35.531 -3.779 -31.700 1.00 34.12 ATOM 1540 HB1 GLN 101 35.629 -4.279 -30.747 1.00 38.15 ATOM 1541 HB2 GLN 101 34.523 -3.922 -32.066 1.00 73.12 ATOM 1542 CG GLN 101 35.747 -2.288 -31.480 1.00 32.42 ATOM 1543 HG1 GLN 101 35.766 -1.793 -32.440 1.00 38.15 ATOM 1544 HG2 GLN 101 36.698 -2.145 -30.986 1.00 55.12 ATOM 1545 CD GLN 101 34.662 -1.656 -30.628 1.00 74.15 ATOM 1546 OE1 GLN 101 34.758 -1.605 -29.405 1.00 11.31 ATOM 1547 NE2 GLN 101 33.620 -1.167 -31.267 1.00 54.31 ATOM 1548 HE21 GLN 101 33.600 -1.236 -32.244 1.00 73.44 ATOM 1549 HE22 GLN 101 32.907 -0.753 -30.737 1.00 62.32 ATOM 1550 C GLN 101 36.360 -3.772 -34.081 1.00 53.32 ATOM 1551 O GLN 101 35.484 -4.156 -34.859 1.00 10.53 ATOM 1552 N GLU 102 37.193 -2.779 -34.393 1.00 52.33 ATOM 1553 HN GLU 102 37.825 -2.448 -33.719 1.00 38.15 ATOM 1554 CA GLU 102 37.168 -2.169 -35.725 1.00 35.12 ATOM 1555 HA GLU 102 36.129 -2.119 -36.033 1.00 2.24 ATOM 1556 CB GLU 102 37.732 -0.735 -35.699 1.00 13.12 ATOM 1557 HB1 GLU 102 37.200 -0.167 -34.946 1.00 38.15 ATOM 1558 HB2 GLU 102 37.554 -0.278 -36.662 1.00 2.30 ATOM 1559 CG GLU 102 39.225 -0.634 -35.402 1.00 14.13 ATOM 1560 HG1 GLU 102 39.768 -1.189 -36.156 1.00 38.15 ATOM 1561 HG2 GLU 102 39.416 -1.072 -34.433 1.00 12.10 ATOM 1562 CD GLU 102 39.727 0.806 -35.402 1.00 61.23 ATOM 1563 OE1 GLU 102 40.114 1.316 -34.330 1.00 10.45 ATOM 1564 OE2 GLU 102 39.728 1.440 -36.480 1.00 72.01 ATOM 1565 C GLU 102 37.925 -3.041 -36.744 1.00 31.13 ATOM 1566 O GLU 102 37.516 -3.153 -37.898 1.00 30.13 ATOM 1567 N LEU 103 39.017 -3.679 -36.311 1.00 72.24 ATOM 1568 HN LEU 103 39.317 -3.539 -35.386 1.00 38.15 ATOM 1569 CA LEU 103 39.795 -4.561 -37.191 1.00 41.14 ATOM 1570 HA LEU 103 40.097 -3.978 -38.049 1.00 52.21 ATOM 1571 CB LEU 103 41.056 -5.073 -36.477 1.00 0.32 ATOM 1572 HB1 LEU 103 40.749 -5.622 -35.598 1.00 38.15 ATOM 1573 HB2 LEU 103 41.637 -4.218 -36.159 1.00 61.32 ATOM 1574 CG LEU 103 41.958 -5.989 -37.327 1.00 4.41 ATOM 1575 HG LEU 103 41.369 -6.821 -37.687 1.00 4.25 ATOM 1576 CD1 LEU 103 42.494 -5.245 -38.549 1.00 5.44 ATOM 1577 HD11 LEU 103 43.063 -4.382 -38.230 1.00 31.15 ATOM 1578 HD12 LEU 103 41.668 -4.923 -39.166 1.00 45.22 ATOM 1579 HD13 LEU 103 43.131 -5.904 -39.120 1.00 71.13 ATOM 1580 CD2 LEU 103 43.099 -6.556 -36.486 1.00 20.31 ATOM 1581 HD21 LEU 103 42.691 -7.111 -35.654 1.00 13.43 ATOM 1582 HD22 LEU 103 43.712 -5.748 -36.111 1.00 3.44 ATOM 1583 HD23 LEU 103 43.704 -7.214 -37.093 1.00 52.30 ATOM 1584 C LEU 103 38.964 -5.757 -37.684 1.00 72.33 ATOM 1585 O LEU 103 38.917 -6.037 -38.880 1.00 63.02 ATOM 1586 N GLN 104 38.305 -6.455 -36.758 1.00 42.30 ATOM 1587 HN GLN 104 38.342 -6.159 -35.823 1.00 38.15 ATOM 1588 CA GLN 104 37.532 -7.661 -37.099 1.00 53.11 ATOM 1589 HA GLN 104 38.229 -8.385 -37.498 1.00 54.03 ATOM 1590 CB GLN 104 36.884 -8.256 -35.839 1.00 73.12 ATOM 1591 HB1 GLN 104 37.668 -8.562 -35.160 1.00 38.15 ATOM 1592 HB2 GLN 104 36.309 -9.126 -36.122 1.00 72.42 ATOM 1593 CG GLN 104 35.962 -7.296 -35.098 1.00 34.34 ATOM 1594 HG1 GLN 104 35.158 -7.004 -35.761 1.00 38.15 ATOM 1595 HG2 GLN 104 36.528 -6.419 -34.816 1.00 12.35 ATOM 1596 CD GLN 104 35.361 -7.909 -33.844 1.00 52.05 ATOM 1597 OE1 GLN 104 34.282 -8.491 -33.877 1.00 50.21 ATOM 1598 NE2 GLN 104 36.059 -7.798 -32.733 1.00 64.25 ATOM 1599 HE21 GLN 104 36.917 -7.332 -32.769 1.00 13.23 ATOM 1600 HE22 GLN 104 35.686 -8.195 -31.917 1.00 12.32 ATOM 1601 C GLN 104 36.460 -7.391 -38.174 1.00 53.11 ATOM 1602 O GLN 104 36.067 -8.302 -38.905 1.00 51.40 ATOM 1603 N VAL 105 35.990 -6.147 -38.273 1.00 50.13 ATOM 1604 HN VAL 105 36.298 -5.468 -37.636 1.00 38.15 ATOM 1605 CA VAL 105 35.010 -5.771 -39.305 1.00 2.24 ATOM 1606 HA VAL 105 34.555 -6.680 -39.675 1.00 4.25 ATOM 1607 CB VAL 105 33.884 -4.877 -38.722 1.00 20.31 ATOM 1608 HB VAL 105 33.174 -4.673 -39.514 1.00 64.32 ATOM 1609 CG1 VAL 105 33.139 -5.606 -37.605 1.00 23.02 ATOM 1610 HG11 VAL 105 32.381 -4.955 -37.192 1.00 10.34 ATOM 1611 HG12 VAL 105 33.834 -5.884 -36.825 1.00 45.20 ATOM 1612 HG13 VAL 105 32.670 -6.495 -38.002 1.00 60.22 ATOM 1613 CG2 VAL 105 34.437 -3.540 -38.225 1.00 61.30 ATOM 1614 HG21 VAL 105 33.635 -2.950 -37.803 1.00 31.30 ATOM 1615 HG22 VAL 105 34.880 -3.003 -39.051 1.00 15.31 ATOM 1616 HG23 VAL 105 35.189 -3.717 -37.468 1.00 24.21 ATOM 1617 C VAL 105 35.671 -5.043 -40.492 1.00 11.53 ATOM 1618 O VAL 105 35.067 -4.892 -41.554 1.00 33.22 ATOM 1619 N SER 106 36.913 -4.597 -40.306 1.00 42.33 ATOM 1620 HN SER 106 37.349 -4.758 -39.442 1.00 38.15 ATOM 1621 CA SER 106 37.650 -3.859 -41.349 1.00 34.44 ATOM 1622 HA SER 106 36.984 -3.708 -42.187 1.00 31.14 ATOM 1623 CB SER 106 38.083 -2.487 -40.807 1.00 14.44 ATOM 1624 HB1 SER 106 38.797 -2.630 -40.007 1.00 38.15 ATOM 1625 HB2 SER 106 37.217 -1.969 -40.421 1.00 32.53 ATOM 1626 OG SER 106 38.681 -1.676 -41.813 1.00 41.33 ATOM 1627 HG SER 106 39.106 -2.240 -42.476 1.00 2.40 ATOM 1628 C SER 106 38.881 -4.643 -41.835 1.00 5.15 ATOM 1629 O SER 106 39.788 -4.077 -42.445 1.00 33.51 ATOM 1630 N SER 107 38.906 -5.944 -41.563 1.00 21.14 ATOM 1631 HN SER 107 38.157 -6.337 -41.067 1.00 38.15 ATOM 1632 CA SER 107 40.025 -6.811 -41.966 1.00 52.14 ATOM 1633 HA SER 107 40.933 -6.389 -41.557 1.00 14.15 ATOM 1634 CB SER 107 39.836 -8.220 -41.386 1.00 72.41 ATOM 1635 HB1 SER 107 39.847 -8.166 -40.307 1.00 38.15 ATOM 1636 HB2 SER 107 40.643 -8.856 -41.720 1.00 64.51 ATOM 1637 OG SER 107 38.604 -8.797 -41.802 1.00 50.31 ATOM 1638 HG SER 107 38.398 -9.551 -41.231 1.00 71.22 ATOM 1639 C SER 107 40.174 -6.892 -43.493 1.00 4.53 ATOM 1640 O SER 107 41.183 -6.450 -44.048 1.00 61.52 ATOM 1641 N ALA 108 39.166 -7.468 -44.157 1.00 24.43 ATOM 1642 HN ALA 108 38.398 -7.795 -43.645 1.00 38.15 ATOM 1643 CA ALA 108 39.161 -7.643 -45.620 1.00 13.14 ATOM 1644 HA ALA 108 38.195 -8.050 -45.888 1.00 15.01 ATOM 1645 CB ALA 108 39.312 -6.298 -46.336 1.00 2.44 ATOM 1646 HB1 ALA 108 39.222 -6.445 -47.403 1.00 43.31 ATOM 1647 HB2 ALA 108 40.281 -5.874 -46.112 1.00 33.04 ATOM 1648 HB3 ALA 108 38.539 -5.622 -46.001 1.00 31.31 ATOM 1649 C ALA 108 40.245 -8.633 -46.082 1.00 24.44 ATOM 1650 O ALA 108 39.941 -9.732 -46.551 1.00 50.30 ATOM 1651 N ALA 109 41.508 -8.236 -45.936 1.00 53.02 ATOM 1652 HN ALA 109 41.679 -7.338 -45.580 1.00 38.15 ATOM 1653 CA ALA 109 42.650 -9.079 -46.302 1.00 1.43 ATOM 1654 HA ALA 109 42.567 -9.318 -47.354 1.00 13.24 ATOM 1655 CB ALA 109 43.938 -8.298 -46.098 1.00 20.11 ATOM 1656 HB1 ALA 109 43.897 -7.379 -46.664 1.00 32.01 ATOM 1657 HB2 ALA 109 44.776 -8.890 -46.433 1.00 15.43 ATOM 1658 HB3 ALA 109 44.056 -8.067 -45.047 1.00 51.31 ATOM 1659 C ALA 109 42.698 -10.387 -45.493 1.00 33.41 ATOM 1660 O ALA 109 43.169 -11.413 -45.984 1.00 55.55 ATOM 1661 N ALA 110 42.249 -10.320 -44.237 1.00 4.23 ATOM 1662 HN ALA 110 41.950 -9.453 -43.893 1.00 38.15 ATOM 1663 CA ALA 110 42.183 -11.492 -43.347 1.00 43.11 ATOM 1664 HA ALA 110 41.678 -11.176 -42.445 1.00 22.44 ATOM 1665 CB ALA 110 41.342 -12.601 -43.979 1.00 42.05 ATOM 1666 HB1 ALA 110 40.361 -12.218 -44.217 1.00 2.02 ATOM 1667 HB2 ALA 110 41.247 -13.425 -43.284 1.00 31.11 ATOM 1668 HB3 ALA 110 41.822 -12.947 -44.882 1.00 13.11 ATOM 1669 C ALA 110 43.575 -12.029 -42.951 1.00 71.11 ATOM 1670 O ALA 110 43.676 -12.993 -42.193 1.00 44.00 ATOM 1671 N GLY 111 44.642 -11.393 -43.437 1.00 41.11 ATOM 1672 HN GLY 111 44.514 -10.610 -44.005 1.00 38.15 ATOM 1673 CA GLY 111 45.993 -11.857 -43.118 1.00 51.43 ATOM 1674 HA1 GLY 111 46.113 -12.864 -43.497 1.00 38.15 ATOM 1675 HA2 GLY 111 46.099 -11.879 -42.047 1.00 42.20 ATOM 1676 C GLY 111 47.106 -10.985 -43.692 1.00 61.42 ATOM 1677 O GLY 111 48.130 -10.781 -43.043 1.00 30.01 ATOM 1678 N VAL 112 46.910 -10.473 -44.906 1.00 55.02 ATOM 1679 HN VAL 112 46.076 -10.672 -45.374 1.00 38.15 ATOM 1680 CA VAL 112 47.919 -9.625 -45.564 1.00 41.53 ATOM 1681 HA VAL 112 48.782 -10.244 -45.763 1.00 21.10 ATOM 1682 CB VAL 112 47.399 -9.070 -46.915 1.00 24.21 ATOM 1683 HB VAL 112 46.524 -8.468 -46.717 1.00 70.41 ATOM 1684 CG1 VAL 112 48.444 -8.173 -47.582 1.00 72.23 ATOM 1685 HG11 VAL 112 48.658 -7.328 -46.941 1.00 61.45 ATOM 1686 HG12 VAL 112 48.062 -7.815 -48.527 1.00 3.51 ATOM 1687 HG13 VAL 112 49.351 -8.735 -47.750 1.00 14.12 ATOM 1688 CG2 VAL 112 46.988 -10.212 -47.845 1.00 51.31 ATOM 1689 HG21 VAL 112 46.607 -9.804 -48.771 1.00 0.31 ATOM 1690 HG22 VAL 112 46.218 -10.802 -47.371 1.00 10.24 ATOM 1691 HG23 VAL 112 47.844 -10.838 -48.052 1.00 71.14 ATOM 1692 C VAL 112 48.350 -8.445 -44.664 1.00 74.21 ATOM 1693 O VAL 112 47.523 -7.628 -44.256 1.00 74.41 ATOM 1694 N PRO 113 49.654 -8.349 -44.334 1.00 33.54 ATOM 1695 CA PRO 113 50.176 -7.279 -43.470 1.00 65.13 ATOM 1696 HA PRO 113 49.554 -7.141 -42.596 1.00 64.24 ATOM 1697 CB PRO 113 51.543 -7.827 -43.043 1.00 52.01 ATOM 1698 HB1 PRO 113 51.434 -8.416 -42.144 1.00 38.15 ATOM 1699 HB2 PRO 113 52.229 -7.010 -42.862 1.00 54.43 ATOM 1700 CG PRO 113 51.980 -8.670 -44.195 1.00 34.14 ATOM 1701 HG1 PRO 113 52.648 -9.446 -43.850 1.00 38.15 ATOM 1702 HG2 PRO 113 52.472 -8.054 -44.936 1.00 14.32 ATOM 1703 CD PRO 113 50.722 -9.278 -44.768 1.00 12.53 ATOM 1704 HD1 PRO 113 50.561 -10.267 -44.360 1.00 38.15 ATOM 1705 HD2 PRO 113 50.780 -9.321 -45.847 1.00 72.53 ATOM 1706 C PRO 113 50.331 -5.932 -44.200 1.00 24.11 ATOM 1707 O PRO 113 50.507 -5.885 -45.417 1.00 42.41 ATOM 1708 N GLY 114 50.237 -4.834 -43.447 1.00 5.25 ATOM 1709 HN GLY 114 50.028 -4.925 -42.496 1.00 38.15 ATOM 1710 CA GLY 114 50.461 -3.503 -44.014 1.00 0.33 ATOM 1711 HA1 GLY 114 51.330 -3.543 -44.657 1.00 38.15 ATOM 1712 HA2 GLY 114 50.669 -2.820 -43.203 1.00 61.20 ATOM 1713 C GLY 114 49.281 -2.951 -44.819 1.00 72.44 ATOM 1714 O GLY 114 49.285 -1.780 -45.196 1.00 31.10 ATOM 1715 N THR 115 48.272 -3.782 -45.081 1.00 12.01 ATOM 1716 HN THR 115 48.319 -4.702 -44.751 1.00 38.15 ATOM 1717 CA THR 115 47.100 -3.360 -45.872 1.00 63.02 ATOM 1718 HA THR 115 47.467 -2.856 -46.757 1.00 15.23 ATOM 1719 CB THR 115 46.262 -4.577 -46.334 1.00 1.32 ATOM 1720 HB THR 115 46.884 -5.205 -46.957 1.00 4.04 ATOM 1721 OG1 THR 115 45.130 -4.142 -47.102 1.00 22.43 ATOM 1722 HG1 THR 115 45.435 -3.791 -47.951 1.00 65.31 ATOM 1723 CG2 THR 115 45.785 -5.400 -45.145 1.00 54.23 ATOM 1724 HG21 THR 115 46.636 -5.718 -44.559 1.00 52.33 ATOM 1725 HG22 THR 115 45.250 -6.268 -45.499 1.00 11.24 ATOM 1726 HG23 THR 115 45.129 -4.800 -44.530 1.00 73.23 ATOM 1727 C THR 115 46.191 -2.387 -45.098 1.00 52.12 ATOM 1728 O THR 115 45.673 -1.421 -45.661 1.00 11.13 ATOM 1729 N ASN 116 46.000 -2.645 -43.803 1.00 32.14 ATOM 1730 HN ASN 116 46.422 -3.435 -43.412 1.00 38.15 ATOM 1731 CA ASN 116 45.188 -1.772 -42.945 1.00 15.44 ATOM 1732 HA ASN 116 44.863 -0.930 -43.542 1.00 33.45 ATOM 1733 CB ASN 116 43.948 -2.515 -42.424 1.00 40.02 ATOM 1734 HB1 ASN 116 43.439 -1.892 -41.701 1.00 38.15 ATOM 1735 HB2 ASN 116 44.260 -3.431 -41.943 1.00 32.34 ATOM 1736 CG ASN 116 42.967 -2.862 -43.531 1.00 43.15 ATOM 1737 OD1 ASN 116 42.113 -2.062 -43.894 1.00 43.23 ATOM 1738 ND2 ASN 116 43.066 -4.062 -44.064 1.00 11.15 ATOM 1739 HD21 ASN 116 43.754 -4.664 -43.728 1.00 1.40 ATOM 1740 HD22 ASN 116 42.440 -4.297 -44.781 1.00 2.33 ATOM 1741 C ASN 116 46.014 -1.251 -41.756 1.00 34.43 ATOM 1742 O ASN 116 46.461 -2.037 -40.916 1.00 4.14 ATOM 1743 N PRO 117 46.238 0.079 -41.674 1.00 5.14 ATOM 1744 CA PRO 117 46.988 0.713 -40.565 1.00 32.02 ATOM 1745 HA PRO 117 48.053 0.564 -40.683 1.00 71.15 ATOM 1746 CB PRO 117 46.665 2.201 -40.742 1.00 4.21 ATOM 1747 HB1 PRO 117 47.494 2.801 -40.393 1.00 38.15 ATOM 1748 HB2 PRO 117 45.772 2.453 -40.184 1.00 2.34 ATOM 1749 CG PRO 117 46.456 2.358 -42.209 1.00 52.32 ATOM 1750 HG1 PRO 117 47.408 2.497 -42.703 1.00 38.15 ATOM 1751 HG2 PRO 117 45.807 3.201 -42.402 1.00 52.13 ATOM 1752 CD PRO 117 45.807 1.077 -42.677 1.00 30.44 ATOM 1753 HD1 PRO 117 46.164 0.812 -43.662 1.00 38.15 ATOM 1754 HD2 PRO 117 44.732 1.176 -42.681 1.00 62.45 ATOM 1755 C PRO 117 46.567 0.231 -39.161 1.00 71.11 ATOM 1756 O PRO 117 47.371 0.256 -38.228 1.00 31.24 ATOM 1757 N VAL 118 45.312 -0.213 -39.018 1.00 31.45 ATOM 1758 HN VAL 118 44.704 -0.171 -39.786 1.00 38.15 ATOM 1759 CA VAL 118 44.811 -0.742 -37.735 1.00 74.03 ATOM 1760 HA VAL 118 44.744 0.088 -37.044 1.00 65.25 ATOM 1761 CB VAL 118 43.395 -1.360 -37.883 1.00 42.21 ATOM 1762 HB VAL 118 43.464 -2.214 -38.545 1.00 53.14 ATOM 1763 CG1 VAL 118 42.863 -1.847 -36.536 1.00 33.34 ATOM 1764 HG11 VAL 118 41.885 -2.287 -36.672 1.00 20.21 ATOM 1765 HG12 VAL 118 42.789 -1.012 -35.854 1.00 13.32 ATOM 1766 HG13 VAL 118 43.536 -2.586 -36.128 1.00 31.12 ATOM 1767 CG2 VAL 118 42.430 -0.357 -38.505 1.00 4.21 ATOM 1768 HG21 VAL 118 41.450 -0.804 -38.593 1.00 43.34 ATOM 1769 HG22 VAL 118 42.786 -0.079 -39.486 1.00 43.10 ATOM 1770 HG23 VAL 118 42.370 0.524 -37.881 1.00 53.32 ATOM 1771 C VAL 118 45.765 -1.799 -37.142 1.00 73.10 ATOM 1772 O VAL 118 45.922 -1.899 -35.924 1.00 70.25 ATOM 1773 N LEU 119 46.412 -2.572 -38.016 1.00 65.24 ATOM 1774 HN LEU 119 46.215 -2.473 -38.971 1.00 38.15 ATOM 1775 CA LEU 119 47.410 -3.566 -37.591 1.00 14.42 ATOM 1776 HA LEU 119 46.908 -4.288 -36.963 1.00 23.42 ATOM 1777 CB LEU 119 47.989 -4.290 -38.820 1.00 44.04 ATOM 1778 HB1 LEU 119 48.725 -5.004 -38.478 1.00 38.15 ATOM 1779 HB2 LEU 119 48.488 -3.556 -39.440 1.00 13.45 ATOM 1780 CG LEU 119 46.960 -5.038 -39.689 1.00 34.23 ATOM 1781 HG LEU 119 46.212 -4.336 -40.032 1.00 22.55 ATOM 1782 CD1 LEU 119 47.629 -5.640 -40.922 1.00 32.44 ATOM 1783 HD11 LEU 119 48.367 -6.368 -40.614 1.00 71.04 ATOM 1784 HD12 LEU 119 48.111 -4.858 -41.490 1.00 12.41 ATOM 1785 HD13 LEU 119 46.883 -6.121 -41.538 1.00 64.14 ATOM 1786 CD2 LEU 119 46.251 -6.121 -38.878 1.00 13.32 ATOM 1787 HD21 LEU 119 46.978 -6.828 -38.504 1.00 22.01 ATOM 1788 HD22 LEU 119 45.540 -6.636 -39.507 1.00 13.43 ATOM 1789 HD23 LEU 119 45.730 -5.668 -38.046 1.00 4.24 ATOM 1790 C LEU 119 48.543 -2.907 -36.782 1.00 54.31 ATOM 1791 O LEU 119 49.001 -3.445 -35.771 1.00 55.01 ATOM 1792 N ASN 120 48.977 -1.730 -37.231 1.00 64.24 ATOM 1793 HN ASN 120 48.589 -1.364 -38.052 1.00 38.15 ATOM 1794 CA ASN 120 50.009 -0.961 -36.528 1.00 62.14 ATOM 1795 HA ASN 120 50.814 -1.637 -36.270 1.00 12.24 ATOM 1796 CB ASN 120 50.560 0.152 -37.429 1.00 43.41 ATOM 1797 HB1 ASN 120 51.358 0.664 -36.910 1.00 38.15 ATOM 1798 HB2 ASN 120 49.769 0.856 -37.646 1.00 51.22 ATOM 1799 CG ASN 120 51.106 -0.373 -38.743 1.00 44.03 ATOM 1800 OD1 ASN 120 51.571 -1.505 -38.834 1.00 63.14 ATOM 1801 ND2 ASN 120 51.053 0.446 -39.773 1.00 65.51 ATOM 1802 HD21 ASN 120 50.662 1.336 -39.639 1.00 71.25 ATOM 1803 HD22 ASN 120 51.423 0.138 -40.626 1.00 33.14 ATOM 1804 C ASN 120 49.443 -0.346 -35.243 1.00 71.22 ATOM 1805 O ASN 120 50.132 -0.252 -34.227 1.00 54.24 ATOM 1806 N ASN 121 48.182 0.078 -35.301 1.00 41.24 ATOM 1807 HN ASN 121 47.703 0.021 -36.156 1.00 38.15 ATOM 1808 CA ASN 121 47.494 0.640 -34.132 1.00 1.35 ATOM 1809 HA ASN 121 48.061 1.501 -33.807 1.00 51.23 ATOM 1810 CB ASN 121 46.080 1.096 -34.515 1.00 62.34 ATOM 1811 HB1 ASN 121 45.563 1.435 -33.629 1.00 38.15 ATOM 1812 HB2 ASN 121 45.540 0.264 -34.946 1.00 51.30 ATOM 1813 CG ASN 121 46.101 2.231 -35.526 1.00 12.34 ATOM 1814 OD1 ASN 121 47.030 2.360 -36.316 1.00 74.32 ATOM 1815 ND2 ASN 121 45.079 3.060 -35.512 1.00 23.43 ATOM 1816 HD21 ASN 121 44.363 2.906 -34.860 1.00 1.14 ATOM 1817 HD22 ASN 121 45.077 3.801 -36.154 1.00 51.23 ATOM 1818 C ASN 121 47.444 -0.372 -32.977 1.00 31.20 ATOM 1819 O ASN 121 47.623 -0.005 -31.815 1.00 44.23 ATOM 1820 N LEU 122 47.209 -1.644 -33.302 1.00 72.35 ATOM 1821 HN LEU 122 46.971 -1.865 -34.229 1.00 38.15 ATOM 1822 CA LEU 122 47.290 -2.717 -32.305 1.00 40.21 ATOM 1823 HA LEU 122 46.570 -2.498 -31.530 1.00 60.03 ATOM 1824 CB LEU 122 46.944 -4.077 -32.931 1.00 50.22 ATOM 1825 HB1 LEU 122 47.241 -4.855 -32.240 1.00 38.15 ATOM 1826 HB2 LEU 122 47.524 -4.189 -33.839 1.00 2.44 ATOM 1827 CG LEU 122 45.461 -4.285 -33.278 1.00 71.42 ATOM 1828 HG LEU 122 45.172 -3.572 -34.037 1.00 33.42 ATOM 1829 CD1 LEU 122 45.233 -5.686 -33.840 1.00 21.12 ATOM 1830 HD11 LEU 122 45.534 -6.424 -33.109 1.00 72.44 ATOM 1831 HD12 LEU 122 45.816 -5.814 -34.741 1.00 23.00 ATOM 1832 HD13 LEU 122 44.185 -5.817 -34.070 1.00 5.52 ATOM 1833 CD2 LEU 122 44.583 -4.048 -32.050 1.00 61.43 ATOM 1834 HD21 LEU 122 44.711 -3.032 -31.703 1.00 23.24 ATOM 1835 HD22 LEU 122 44.864 -4.734 -31.263 1.00 25.32 ATOM 1836 HD23 LEU 122 43.547 -4.209 -32.312 1.00 52.32 ATOM 1837 C LEU 122 48.688 -2.771 -31.671 1.00 2.24 ATOM 1838 O LEU 122 48.822 -2.817 -30.448 1.00 3.21 ATOM 1839 N LEU 123 49.722 -2.753 -32.513 1.00 25.43 ATOM 1840 HN LEU 123 49.549 -2.757 -33.478 1.00 38.15 ATOM 1841 CA LEU 123 51.110 -2.731 -32.036 1.00 60.43 ATOM 1842 HA LEU 123 51.290 -3.653 -31.501 1.00 32.40 ATOM 1843 CB LEU 123 52.077 -2.646 -33.228 1.00 14.31 ATOM 1844 HB1 LEU 123 51.899 -1.710 -33.739 1.00 38.15 ATOM 1845 HB2 LEU 123 51.845 -3.454 -33.909 1.00 40.43 ATOM 1846 CG LEU 123 53.572 -2.724 -32.879 1.00 30.12 ATOM 1847 HG LEU 123 53.819 -1.918 -32.201 1.00 51.41 ATOM 1848 CD1 LEU 123 53.899 -4.040 -32.176 1.00 22.34 ATOM 1849 HD11 LEU 123 53.627 -4.870 -32.814 1.00 31.43 ATOM 1850 HD12 LEU 123 53.346 -4.103 -31.250 1.00 2.50 ATOM 1851 HD13 LEU 123 54.957 -4.083 -31.962 1.00 2.31 ATOM 1852 CD2 LEU 123 54.425 -2.556 -34.137 1.00 34.30 ATOM 1853 HD21 LEU 123 54.199 -1.606 -34.599 1.00 31.45 ATOM 1854 HD22 LEU 123 54.211 -3.354 -34.833 1.00 2.11 ATOM 1855 HD23 LEU 123 55.471 -2.584 -33.869 1.00 51.32 ATOM 1856 C LEU 123 51.341 -1.550 -31.080 1.00 33.03 ATOM 1857 O LEU 123 51.910 -1.713 -30.002 1.00 3.22 ATOM 1858 N SER 124 50.883 -0.364 -31.484 1.00 62.14 ATOM 1859 HN SER 124 50.474 -0.293 -32.373 1.00 38.15 ATOM 1860 CA SER 124 50.981 0.842 -30.644 1.00 24.11 ATOM 1861 HA SER 124 52.029 1.027 -30.457 1.00 5.51 ATOM 1862 CB SER 124 50.387 2.056 -31.375 1.00 12.55 ATOM 1863 HB1 SER 124 49.355 1.853 -31.630 1.00 38.15 ATOM 1864 HB2 SER 124 50.951 2.242 -32.277 1.00 40.33 ATOM 1865 OG SER 124 50.435 3.221 -30.563 1.00 34.42 ATOM 1866 HG SER 124 51.164 3.782 -30.855 1.00 32.52 ATOM 1867 C SER 124 50.266 0.652 -29.298 1.00 1.04 ATOM 1868 O SER 124 50.797 1.007 -28.245 1.00 2.25 ATOM 1869 N CYS 125 49.061 0.083 -29.337 1.00 51.32 ATOM 1870 HN CYS 125 48.681 -0.167 -30.206 1.00 38.15 ATOM 1871 CA CYS 125 48.289 -0.184 -28.115 1.00 11.43 ATOM 1872 HA CYS 125 48.158 0.755 -27.599 1.00 70.41 ATOM 1873 CB CYS 125 46.905 -0.756 -28.461 1.00 32.30 ATOM 1874 HB1 CYS 125 46.388 -1.006 -27.544 1.00 38.15 ATOM 1875 HB2 CYS 125 47.031 -1.653 -29.050 1.00 63.03 ATOM 1876 SG CYS 125 45.842 0.369 -29.401 1.00 23.13 ATOM 1877 HG CYS 125 46.505 0.754 -30.483 1.00 54.30 ATOM 1878 C CYS 125 49.037 -1.152 -27.184 1.00 44.42 ATOM 1879 O CYS 125 49.205 -0.880 -25.997 1.00 75.31 ATOM 1880 N VAL 126 49.494 -2.274 -27.735 1.00 25.33 ATOM 1881 HN VAL 126 49.337 -2.431 -28.690 1.00 38.15 ATOM 1882 CA VAL 126 50.228 -3.282 -26.958 1.00 52.10 ATOM 1883 HA VAL 126 49.586 -3.609 -26.151 1.00 22.15 ATOM 1884 CB VAL 126 50.570 -4.516 -27.830 1.00 64.42 ATOM 1885 HB VAL 126 51.193 -4.188 -28.651 1.00 25.41 ATOM 1886 CG1 VAL 126 51.351 -5.558 -27.029 1.00 63.23 ATOM 1887 HG11 VAL 126 52.277 -5.126 -26.678 1.00 63.23 ATOM 1888 HG12 VAL 126 51.569 -6.410 -27.657 1.00 13.32 ATOM 1889 HG13 VAL 126 50.762 -5.880 -26.181 1.00 31.15 ATOM 1890 CG2 VAL 126 49.299 -5.126 -28.414 1.00 21.21 ATOM 1891 HG21 VAL 126 49.554 -5.985 -29.017 1.00 12.43 ATOM 1892 HG22 VAL 126 48.795 -4.394 -29.027 1.00 42.43 ATOM 1893 HG23 VAL 126 48.643 -5.433 -27.611 1.00 74.13 ATOM 1894 C VAL 126 51.521 -2.707 -26.358 1.00 51.31 ATOM 1895 O VAL 126 51.818 -2.911 -25.175 1.00 44.30 ATOM 1896 N GLN 127 52.287 -1.988 -27.175 1.00 0.13 ATOM 1897 HN GLN 127 52.012 -1.874 -28.110 1.00 38.15 ATOM 1898 CA GLN 127 53.532 -1.366 -26.715 1.00 11.02 ATOM 1899 HA GLN 127 54.143 -2.151 -26.289 1.00 11.14 ATOM 1900 CB GLN 127 54.292 -0.745 -27.896 1.00 73.50 ATOM 1901 HB1 GLN 127 55.132 -0.180 -27.516 1.00 38.15 ATOM 1902 HB2 GLN 127 53.628 -0.074 -28.424 1.00 72.40 ATOM 1903 CG GLN 127 54.820 -1.776 -28.890 1.00 50.13 ATOM 1904 HG1 GLN 127 53.980 -2.289 -29.337 1.00 38.15 ATOM 1905 HG2 GLN 127 55.430 -2.490 -28.356 1.00 54.32 ATOM 1906 CD GLN 127 55.657 -1.164 -30.002 1.00 63.13 ATOM 1907 OE1 GLN 127 55.437 -0.031 -30.418 1.00 53.43 ATOM 1908 NE2 GLN 127 56.626 -1.911 -30.493 1.00 11.35 ATOM 1909 HE21 GLN 127 56.752 -2.810 -30.120 1.00 14.21 ATOM 1910 HE22 GLN 127 57.185 -1.536 -31.201 1.00 62.02 ATOM 1911 C GLN 127 53.271 -0.314 -25.624 1.00 14.42 ATOM 1912 O GLN 127 54.023 -0.222 -24.655 1.00 24.35 ATOM 1913 N GLU 128 52.195 0.461 -25.777 1.00 15.43 ATOM 1914 HN GLU 128 51.648 0.364 -26.586 1.00 38.15 ATOM 1915 CA GLU 128 51.810 1.461 -24.771 1.00 24.13 ATOM 1916 HA GLU 128 52.668 2.096 -24.595 1.00 33.14 ATOM 1917 CB GLU 128 50.650 2.327 -25.299 1.00 45.33 ATOM 1918 HB1 GLU 128 49.787 1.694 -25.458 1.00 38.15 ATOM 1919 HB2 GLU 128 50.944 2.755 -26.247 1.00 34.40 ATOM 1920 CG GLU 128 50.238 3.473 -24.369 1.00 51.41 ATOM 1921 HG1 GLU 128 49.966 3.055 -23.410 1.00 38.15 ATOM 1922 HG2 GLU 128 49.379 3.973 -24.795 1.00 43.12 ATOM 1923 CD GLU 128 51.339 4.509 -24.158 1.00 4.12 ATOM 1924 OE1 GLU 128 52.112 4.774 -25.105 1.00 61.31 ATOM 1925 OE2 GLU 128 51.425 5.080 -23.050 1.00 20.34 ATOM 1926 C GLU 128 51.414 0.789 -23.444 1.00 25.30 ATOM 1927 O GLU 128 51.967 1.105 -22.393 1.00 0.13 ATOM 1928 N ILE 129 50.468 -0.154 -23.505 1.00 15.01 ATOM 1929 HN ILE 129 50.060 -0.358 -24.372 1.00 38.15 ATOM 1930 CA ILE 129 50.013 -0.888 -22.312 1.00 71.04 ATOM 1931 HA ILE 129 49.534 -0.180 -21.648 1.00 41.03 ATOM 1932 CB ILE 129 48.973 -1.983 -22.687 1.00 25.35 ATOM 1933 HB ILE 129 49.430 -2.643 -23.413 1.00 21.33 ATOM 1934 CG1 ILE 129 47.720 -1.347 -23.315 1.00 32.04 ATOM 1935 HG11 ILE 129 48.013 -0.763 -24.176 1.00 38.15 ATOM 1936 HG12 ILE 129 47.252 -0.696 -22.591 1.00 13.22 ATOM 1937 CG2 ILE 129 48.596 -2.822 -21.465 1.00 73.32 ATOM 1938 HG21 ILE 129 49.477 -3.314 -21.079 1.00 72.32 ATOM 1939 HG22 ILE 129 47.866 -3.566 -21.748 1.00 13.42 ATOM 1940 HG23 ILE 129 48.177 -2.182 -20.700 1.00 15.12 ATOM 1941 CD1 ILE 129 46.681 -2.352 -23.771 1.00 61.00 ATOM 1942 HD11 ILE 129 47.112 -3.007 -24.514 1.00 32.54 ATOM 1943 HD12 ILE 129 45.840 -1.827 -24.199 1.00 11.41 ATOM 1944 HD13 ILE 129 46.347 -2.935 -22.925 1.00 70.41 ATOM 1945 C ILE 129 51.189 -1.547 -21.570 1.00 62.30 ATOM 1946 O ILE 129 51.374 -1.347 -20.367 1.00 62.01 ATOM 1947 N SER 130 51.984 -2.328 -22.300 1.00 21.15 ATOM 1948 HN SER 130 51.792 -2.443 -23.255 1.00 38.15 ATOM 1949 CA SER 130 53.140 -3.022 -21.713 1.00 62.14 ATOM 1950 HA SER 130 52.772 -3.651 -20.915 1.00 40.33 ATOM 1951 CB SER 130 53.833 -3.907 -22.759 1.00 64.34 ATOM 1952 HB1 SER 130 53.114 -4.601 -23.170 1.00 38.15 ATOM 1953 HB2 SER 130 54.633 -4.460 -22.287 1.00 65.24 ATOM 1954 OG SER 130 54.379 -3.135 -23.819 1.00 73.12 ATOM 1955 HG SER 130 53.721 -3.043 -24.520 1.00 45.21 ATOM 1956 C SER 130 54.155 -2.031 -21.125 1.00 70.35 ATOM 1957 O SER 130 54.771 -2.301 -20.093 1.00 31.01 ATOM 1958 N ASP 131 54.320 -0.885 -21.785 1.00 51.01 ATOM 1959 HN ASP 131 53.818 -0.739 -22.616 1.00 38.15 ATOM 1960 CA ASP 131 55.233 0.163 -21.317 1.00 21.33 ATOM 1961 HA ASP 131 56.197 -0.296 -21.141 1.00 32.12 ATOM 1962 CB ASP 131 55.389 1.236 -22.400 1.00 33.02 ATOM 1963 HB1 ASP 131 54.418 1.665 -22.608 1.00 38.15 ATOM 1964 HB2 ASP 131 55.769 0.774 -23.301 1.00 34.01 ATOM 1965 CG ASP 131 56.339 2.350 -22.000 1.00 12.40 ATOM 1966 OD1 ASP 131 57.543 2.079 -21.820 1.00 61.11 ATOM 1967 OD2 ASP 131 55.889 3.505 -21.875 1.00 11.43 ATOM 1968 C ASP 131 54.739 0.791 -19.999 1.00 42.22 ATOM 1969 O ASP 131 55.521 0.994 -19.070 1.00 53.13 ATOM 1970 N VAL 132 53.437 1.082 -19.918 1.00 44.22 ATOM 1971 HN VAL 132 52.866 0.926 -20.702 1.00 38.15 ATOM 1972 CA VAL 132 52.835 1.636 -18.692 1.00 10.25 ATOM 1973 HA VAL 132 53.268 2.613 -18.526 1.00 43.03 ATOM 1974 CB VAL 132 51.299 1.809 -18.846 1.00 61.41 ATOM 1975 HB VAL 132 50.873 0.847 -19.095 1.00 72.41 ATOM 1976 CG1 VAL 132 50.664 2.283 -17.540 1.00 51.10 ATOM 1977 HG11 VAL 132 51.100 3.227 -17.248 1.00 53.21 ATOM 1978 HG12 VAL 132 50.841 1.551 -16.763 1.00 52.30 ATOM 1979 HG13 VAL 132 49.599 2.407 -17.678 1.00 4.54 ATOM 1980 CG2 VAL 132 50.974 2.783 -19.981 1.00 2.43 ATOM 1981 HG21 VAL 132 51.381 2.406 -20.908 1.00 73.42 ATOM 1982 HG22 VAL 132 51.407 3.750 -19.765 1.00 73.21 ATOM 1983 HG23 VAL 132 49.902 2.885 -20.075 1.00 72.14 ATOM 1984 C VAL 132 53.130 0.752 -17.465 1.00 44.02 ATOM 1985 O VAL 132 53.404 1.255 -16.371 1.00 62.22 ATOM 1986 N VAL 133 53.093 -0.564 -17.662 1.00 24.01 ATOM 1987 HN VAL 133 52.860 -0.900 -18.554 1.00 38.15 ATOM 1988 CA VAL 133 53.375 -1.527 -16.588 1.00 14.34 ATOM 1989 HA VAL 133 52.730 -1.288 -15.752 1.00 74.24 ATOM 1990 CB VAL 133 53.052 -2.977 -17.050 1.00 54.24 ATOM 1991 HB VAL 133 53.709 -3.221 -17.875 1.00 14.52 ATOM 1992 CG1 VAL 133 53.304 -3.990 -15.933 1.00 75.23 ATOM 1993 HG11 VAL 133 53.087 -4.987 -16.291 1.00 31.15 ATOM 1994 HG12 VAL 133 52.666 -3.765 -15.090 1.00 44.02 ATOM 1995 HG13 VAL 133 54.338 -3.938 -15.624 1.00 63.43 ATOM 1996 CG2 VAL 133 51.610 -3.071 -17.554 1.00 64.13 ATOM 1997 HG21 VAL 133 51.472 -2.393 -18.384 1.00 71.24 ATOM 1998 HG22 VAL 133 50.929 -2.805 -16.757 1.00 25.41 ATOM 1999 HG23 VAL 133 51.404 -4.082 -17.878 1.00 63.11 ATOM 2000 C VAL 133 54.845 -1.454 -16.116 1.00 1.12 ATOM 2001 O VAL 133 55.163 -1.802 -14.975 1.00 71.45 ATOM 2002 N GLN 134 55.737 -0.984 -16.990 1.00 24.54 ATOM 2003 HN GLN 134 55.421 -0.647 -17.855 1.00 38.15 ATOM 2004 CA GLN 134 57.179 -0.951 -16.696 1.00 33.01 ATOM 2005 HA GLN 134 57.398 -1.749 -16.001 1.00 43.34 ATOM 2006 CB GLN 134 57.977 -1.189 -17.985 1.00 12.22 ATOM 2007 HB1 GLN 134 59.028 -1.259 -17.738 1.00 38.15 ATOM 2008 HB2 GLN 134 57.831 -0.345 -18.645 1.00 51.45 ATOM 2009 CG GLN 134 57.580 -2.453 -18.741 1.00 75.24 ATOM 2010 HG1 GLN 134 56.530 -2.393 -18.989 1.00 38.15 ATOM 2011 HG2 GLN 134 57.751 -3.311 -18.106 1.00 1.32 ATOM 2012 CD GLN 134 58.371 -2.629 -20.027 1.00 33.00 ATOM 2013 OE1 GLN 134 59.530 -2.239 -20.114 1.00 43.41 ATOM 2014 NE2 GLN 134 57.750 -3.199 -21.039 1.00 75.22 ATOM 2015 HE21 GLN 134 56.822 -3.479 -20.914 1.00 41.32 ATOM 2016 HE22 GLN 134 58.243 -3.300 -21.879 1.00 11.43 ATOM 2017 C GLN 134 57.625 0.384 -16.070 1.00 2.01 ATOM 2018 O GLN 134 58.781 0.520 -15.654 1.00 61.44 ATOM 2019 N ARG 135 56.722 1.366 -16.012 1.00 54.12 ATOM 2020 HN ARG 135 55.799 1.180 -16.290 1.00 38.15 ATOM 2021 HA ARG 135 58.053 2.957 -15.935 1.00 31.03 ATOM 2022 CB ARG 135 56.071 3.751 -16.089 1.00 23.21 ATOM 2023 HB1 ARG 135 56.374 4.739 -15.767 1.00 38.15 ATOM 2024 HB2 ARG 135 55.093 3.535 -15.684 1.00 3.33 ATOM 2025 CG ARG 135 55.970 3.754 -17.606 1.00 62.44 ATOM 2026 HG1 ARG 135 55.677 2.767 -17.938 1.00 38.15 ATOM 2027 HG2 ARG 135 56.936 3.999 -18.021 1.00 31.32 ATOM 2028 CD ARG 135 54.947 4.765 -18.108 1.00 70.02 ATOM 2029 HD1 ARG 135 55.302 5.762 -17.887 1.00 38.15 ATOM 2030 HD2 ARG 135 54.007 4.595 -17.599 1.00 12.04 ATOM 2031 NE ARG 135 54.738 4.640 -19.548 1.00 40.44 ATOM 2032 HE ARG 135 55.397 4.120 -20.057 1.00 54.22 ATOM 2033 CZ ARG 135 53.728 5.146 -20.198 1.00 22.23 ATOM 2034 NH1 ARG 135 52.841 5.876 -19.594 1.00 52.41 ATOM 2035 HH11 ARG 135 52.925 6.059 -18.617 1.00 24.22 ATOM 2036 HH12 ARG 135 52.085 6.262 -20.115 1.00 2.43 ATOM 2037 NH2 ARG 135 53.614 4.924 -21.464 1.00 50.33 ATOM 2038 HH21 ARG 135 54.305 4.374 -21.931 1.00 72.01 ATOM 2039 HH22 ARG 135 52.833 5.285 -21.971 1.00 24.11 ATOM 2040 CA ARG 135 57.073 2.721 -15.540 1.00 13.41 ATOM 2041 C ARG 135 57.134 2.812 -14.000 1.00 12.41 ATOM 2042 OT1 ARG 135 56.122 3.203 -13.373 1.00 38.15 ATOM 2043 OT2 ARG 135 58.204 2.514 -13.423 1.00 38.15 ATOM 2044 OH2 TIP3 1 18.466 -24.557 -7.676 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 1 19.040 -24.901 -6.957 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 1 18.976 -24.733 -8.491 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 2 8.923 -23.067 -5.601 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 2 9.369 -22.646 -6.372 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 2 8.378 -23.760 -5.993 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 3 12.541 -20.190 -15.415 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 3 12.426 -19.238 -15.223 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 3 11.632 -20.538 -15.416 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 4 14.586 -21.788 -16.252 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 4 14.320 -21.929 -17.166 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 4 13.879 -21.207 -15.884 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 5 19.555 -27.749 -10.284 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 5 19.271 -28.599 -9.899 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 5 19.510 -27.900 -11.254 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 6 6.814 -21.670 -9.168 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 6 7.685 -21.362 -9.501 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 6 6.693 -22.530 -9.581 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 7 9.693 -21.221 -12.703 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 7 9.715 -20.674 -13.522 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 7 9.078 -21.958 -12.927 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 8 17.990 -20.282 -14.758 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 8 17.512 -20.324 -15.593 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 8 17.628 -19.481 -14.316 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 9 10.912 -24.206 -4.077 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 9 10.161 -23.779 -4.531 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 9 11.142 -23.585 -3.358 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 10 9.701 -19.879 -15.112 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 10 8.890 -19.778 -15.659 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 10 10.103 -18.986 -15.111 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 11 11.723 -18.357 -12.037 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 11 11.188 -17.854 -11.389 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 11 11.822 -19.241 -11.631 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 12 12.610 -22.109 -8.756 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 12 13.540 -22.299 -8.978 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 12 12.233 -21.769 -9.599 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 13 12.839 -25.654 -5.317 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 13 12.917 -25.201 -6.165 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 13 12.083 -25.205 -4.870 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 14 11.948 -22.374 -2.331 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 14 11.645 -21.515 -2.697 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 14 12.814 -22.531 -2.770 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 15 15.646 -23.265 -14.249 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 15 15.389 -22.742 -15.047 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 15 15.332 -24.155 -14.441 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 16 13.884 -22.510 -6.246 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 16 13.267 -22.188 -6.923 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 16 14.275 -23.316 -6.646 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 17 7.942 -23.131 -13.565 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 17 7.065 -22.766 -13.726 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 17 8.032 -23.832 -14.219 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 18 12.811 -18.926 -5.252 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 18 12.112 -19.214 -4.627 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 18 13.353 -19.713 -5.376 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 19 3.658 -20.574 -16.153 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 19 2.837 -20.963 -15.784 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 19 4.203 -20.373 -15.366 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 20 10.105 -21.750 -7.727 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 20 11.033 -21.999 -7.932 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 20 9.756 -21.410 -8.581 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 21 16.684 -18.015 -13.868 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 21 15.912 -18.002 -13.260 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 21 16.324 -17.665 -14.716 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 22 4.966 -19.197 -18.058 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 22 4.421 -19.703 -17.405 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 22 4.506 -19.322 -18.893 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 23 12.258 -23.793 -0.010 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 23 12.027 -23.331 -0.851 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 23 12.326 -24.739 -0.266 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 24 14.617 -24.825 -7.514 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 24 15.293 -25.244 -6.940 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 24 14.456 -25.477 -8.204 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 25 12.307 -26.570 -0.208 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 25 11.950 -26.829 0.666 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 25 11.878 -27.174 -0.829 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 26 14.302 -23.024 -3.553 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 26 14.200 -22.783 -4.504 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 26 14.521 -23.979 -3.571 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 27 21.037 -24.559 -17.298 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 27 20.358 -25.018 -17.801 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 27 21.455 -23.974 -17.941 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 28 20.765 -29.651 -14.940 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 28 20.474 -30.152 -15.710 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 28 21.547 -30.150 -14.611 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 29 17.339 -21.963 -8.709 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 29 16.477 -21.940 -9.179 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 29 17.401 -22.870 -8.363 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 30 16.713 -25.713 -5.931 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 30 17.213 -25.167 -6.579 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 30 17.388 -26.278 -5.533 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 31 19.807 -28.577 -1.886 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 31 18.959 -28.234 -1.541 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 31 19.884 -29.471 -1.476 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 32 11.997 -21.160 -11.281 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 32 11.222 -21.304 -11.868 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 32 12.771 -21.354 -11.853 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 33 9.005 -19.523 -6.454 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 33 9.524 -20.179 -6.960 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 33 8.924 -19.924 -5.561 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 34 8.473 -20.817 -4.119 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 34 8.541 -21.710 -4.529 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 34 7.612 -20.823 -3.679 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 35 6.359 -20.284 -6.858 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 35 6.309 -20.843 -7.661 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 35 7.280 -19.968 -6.846 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 36 1.377 -21.598 -15.027 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 36 1.119 -22.524 -15.072 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 36 0.548 -21.126 -14.905 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 37 6.247 -20.114 -11.686 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 37 5.966 -20.512 -10.850 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 37 6.925 -19.457 -11.421 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 38 7.240 -19.560 -16.373 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 38 6.665 -19.620 -17.160 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 38 6.640 -19.757 -15.625 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 39 14.345 -21.482 -12.662 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 39 14.799 -22.186 -13.174 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 39 14.473 -20.684 -13.193 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 40 11.723 -27.472 4.971 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 40 11.558 -27.501 4.009 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 40 12.225 -28.290 5.151 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 41 10.867 -24.844 5.360 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 41 11.037 -25.803 5.443 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 41 11.020 -24.655 4.420 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 42 11.360 -19.787 5.913 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 42 11.057 -20.686 6.169 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 42 11.760 -19.913 5.032 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 43 10.852 -21.389 10.503 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 43 10.147 -21.625 9.854 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 43 11.203 -20.541 10.171 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 44 8.798 -31.166 14.168 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 44 8.319 -31.472 13.389 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 44 8.400 -31.678 14.910 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 45 21.143 -28.939 11.482 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 45 21.085 -27.966 11.626 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 45 20.239 -29.251 11.606 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 46 11.024 -26.914 2.292 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 46 10.060 -26.955 2.256 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 46 11.220 -25.961 2.447 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 47 9.873 -22.314 3.399 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 47 9.472 -22.156 4.270 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 47 9.794 -21.456 2.945 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 48 10.764 -22.403 6.575 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 48 11.670 -22.416 6.951 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 48 10.674 -23.286 6.143 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 49 12.645 -27.156 10.174 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 49 12.159 -27.075 11.024 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 49 12.014 -27.573 9.581 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 50 14.452 -26.902 5.427 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 50 13.552 -26.555 5.524 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 50 14.324 -27.864 5.343 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 51 11.592 -30.990 13.957 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 51 10.624 -30.887 14.057 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 51 11.758 -31.901 14.207 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 52 11.528 -24.265 2.615 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 52 11.768 -24.052 1.682 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 52 10.898 -23.543 2.870 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 53 18.312 -21.183 -1.485 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 53 17.393 -21.523 -1.498 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 53 18.694 -21.571 -0.680 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 54 9.342 -17.774 12.438 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 54 8.792 -18.372 11.887 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 54 9.635 -18.340 13.183 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 55 12.334 -19.748 3.252 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 55 12.725 -20.034 2.412 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 55 11.366 -19.685 3.059 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 56 9.653 -19.587 2.953 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 56 9.205 -19.788 3.813 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 56 9.104 -18.901 2.557 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 57 7.613 -32.695 16.107 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 57 7.004 -33.436 16.199 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 57 7.803 -32.430 17.013 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 58 11.182 -27.070 12.499 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 58 10.446 -27.590 12.911 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 58 10.854 -26.160 12.495 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 59 13.193 -17.736 13.112 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 59 13.551 -18.403 12.496 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 59 13.450 -16.880 12.715 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 60 9.717 -19.332 14.682 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 60 8.881 -19.386 15.164 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 60 10.362 -19.024 15.358 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 61 12.682 -23.362 13.034 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 61 12.185 -23.792 12.302 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 61 12.160 -22.555 13.234 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 62 18.748 -23.090 0.611 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 62 18.408 -23.634 1.359 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 62 18.891 -23.731 -0.096 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 63 9.004 -21.921 8.651 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 63 9.499 -22.311 7.902 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 63 8.656 -21.081 8.291 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 64 11.158 -24.131 10.935 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 64 11.321 -24.563 10.089 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 64 10.983 -23.198 10.700 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 65 14.945 -26.951 -1.168 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 65 14.096 -26.661 -0.785 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 65 14.960 -26.539 -2.058 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 66 15.669 -21.869 -1.450 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 66 15.175 -22.368 -2.141 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 66 15.176 -22.052 -0.623 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 67 14.012 -23.281 3.443 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 67 14.700 -23.929 3.719 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 67 13.196 -23.813 3.368 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 68 15.782 -30.293 6.763 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 68 15.447 -30.640 7.629 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 68 16.433 -29.602 7.023 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 69 11.038 -20.055 -3.481 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 69 10.984 -19.314 -2.831 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 69 10.099 -20.280 -3.667 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 70 11.344 -20.985 13.201 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 70 11.018 -21.042 12.279 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 70 10.669 -20.442 13.663 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 71 14.206 -22.156 0.966 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 71 14.296 -22.525 1.873 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 71 13.500 -22.705 0.556 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 72 6.900 -27.118 14.587 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 72 6.932 -26.163 14.477 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 72 6.020 -27.289 14.936 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 73 14.978 -25.774 -3.729 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 73 15.659 -25.752 -4.431 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 73 14.132 -25.911 -4.221 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 74 9.138 -28.422 13.664 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 74 8.327 -27.994 14.014 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 74 9.038 -29.360 13.914 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 75 13.188 -24.511 15.457 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 75 12.967 -24.123 14.582 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 75 13.491 -25.415 15.246 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 76 18.082 -24.956 2.482 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 76 18.610 -25.476 3.125 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 76 17.201 -24.880 2.908 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 77 15.980 -24.965 4.298 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 77 15.543 -25.728 4.741 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 77 16.380 -24.454 5.039 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 78 17.199 -28.385 -0.732 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 78 16.430 -27.766 -0.812 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 78 16.883 -29.202 -1.133 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 79 13.672 -29.551 5.172 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 79 13.464 -30.341 4.660 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 79 14.321 -29.863 5.844 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 80 13.177 -28.793 13.318 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 80 12.458 -28.175 13.065 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 80 12.701 -29.608 13.601 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 81 21.039 -26.277 11.930 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 81 21.701 -25.582 11.857 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 81 20.762 -26.246 12.875 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 82 18.778 -30.964 3.752 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 82 18.132 -31.513 4.260 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 82 19.022 -31.522 3.003 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 83 14.989 -31.020 9.218 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 83 14.854 -30.255 9.823 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 83 14.838 -31.789 9.774 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 84 14.584 -28.935 10.920 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 84 14.303 -29.057 11.851 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 84 13.965 -28.254 10.574 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 85 16.589 -20.736 6.428 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 85 16.861 -21.661 6.290 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 85 15.924 -20.578 5.727 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 86 8.313 -19.704 10.744 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 86 8.195 -20.649 10.915 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 86 8.011 -19.590 9.825 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 87 11.233 -16.339 10.891 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 87 10.585 -16.616 11.573 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 87 11.990 -15.982 11.408 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 88 8.440 -20.440 5.213 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 88 7.503 -20.714 5.071 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 88 8.479 -20.208 6.157 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 89 15.833 -20.084 1.850 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 89 15.656 -20.239 2.798 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 89 15.302 -20.766 1.394 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 90 13.873 -20.845 14.186 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 90 14.007 -20.130 14.818 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 90 12.941 -20.739 13.896 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 91 11.322 -18.556 16.817 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 91 12.121 -19.134 16.879 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 91 11.099 -18.367 17.734 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 92 13.216 -22.844 17.563 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 92 13.116 -23.423 16.765 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 92 12.592 -23.211 18.199 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 93 16.089 -20.283 16.263 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 93 16.532 -20.356 15.393 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 93 16.160 -21.186 16.638 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 94 13.483 -20.128 17.142 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 94 14.421 -20.115 16.865 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 94 13.298 -21.078 17.309 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 95 14.611 -26.811 14.655 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 95 14.109 -27.420 14.069 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 95 15.100 -27.401 15.238 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 96 12.377 -13.661 -18.547 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 96 11.755 -13.010 -18.153 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 96 12.319 -13.497 -19.492 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 97 6.391 -11.329 -11.708 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 97 6.909 -11.967 -12.252 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 97 6.927 -10.529 -11.712 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 98 14.990 -4.970 -12.028 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 98 15.933 -5.137 -12.261 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 98 15.027 -4.672 -11.103 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 99 5.808 -13.164 -9.788 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 99 5.960 -12.416 -10.407 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 99 6.531 -13.080 -9.134 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 100 6.375 -15.402 -13.255 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 100 5.457 -15.606 -13.470 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 100 6.452 -15.624 -12.298 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 101 1.859 -9.743 -13.486 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 101 2.489 -10.258 -12.935 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 101 1.049 -10.259 -13.461 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 102 5.188 -18.350 -5.399 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 102 4.687 -17.811 -6.052 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 102 5.434 -19.164 -5.898 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 103 4.056 -16.478 -7.063 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 103 3.699 -15.775 -6.509 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 103 3.550 -16.395 -7.909 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 104 16.195 -7.597 -10.039 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 104 15.639 -6.908 -9.636 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 104 17.098 -7.257 -9.938 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 105 17.674 -5.249 -12.260 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 105 18.435 -5.637 -12.744 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 105 17.941 -5.299 -11.317 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 106 9.740 -10.289 -14.296 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 106 9.316 -11.027 -14.787 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 106 9.124 -9.536 -14.417 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 107 10.669 -11.666 -17.639 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 107 9.912 -11.138 -17.982 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 107 11.208 -11.016 -17.147 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 108 2.819 -7.417 -14.525 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 108 1.998 -6.919 -14.574 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 108 2.545 -8.297 -14.171 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 109 5.453 -7.084 -15.041 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 109 4.510 -7.356 -14.915 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 109 5.469 -6.166 -14.751 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 110 3.206 -13.545 -10.565 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 110 3.078 -12.742 -11.102 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 110 4.115 -13.452 -10.214 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 111 12.938 -4.762 -9.269 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 111 13.897 -4.876 -9.115 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 111 12.786 -5.163 -10.143 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 112 11.972 -9.927 -15.831 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 112 11.230 -10.074 -15.203 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 112 11.991 -8.947 -15.948 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 113 12.414 -5.902 -11.792 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 113 13.341 -5.682 -12.027 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 113 11.881 -5.480 -12.503 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 114 15.410 -17.377 -16.234 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 114 15.001 -18.077 -16.750 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 114 14.846 -16.591 -16.408 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 115 5.087 -7.035 -19.332 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 115 4.174 -7.336 -19.374 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 115 5.172 -6.428 -20.075 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 116 9.533 -3.751 -11.342 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 116 9.101 -2.908 -11.174 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 116 9.720 -4.106 -10.449 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 117 17.145 -15.227 0.064 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 117 17.299 -15.593 0.955 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 117 17.324 -15.988 -0.533 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 118 7.942 -18.163 -10.732 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 118 8.807 -17.728 -10.597 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 118 7.299 -17.429 -10.688 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 119 12.177 -7.235 -15.699 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 119 12.999 -6.808 -15.375 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 119 11.585 -6.498 -15.886 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 120 7.891 -13.093 -13.153 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 120 7.385 -13.933 -13.201 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 120 8.095 -12.883 -14.089 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 121 3.818 -9.169 -9.822 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 121 4.128 -9.234 -8.913 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 121 3.401 -8.303 -9.870 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 122 8.805 -12.452 -15.709 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 122 8.336 -13.293 -15.928 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 122 9.468 -12.357 -16.423 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 123 9.114 -11.176 -3.705 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 123 8.837 -11.283 -4.641 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 123 8.514 -11.772 -3.209 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 124 3.580 -11.042 -11.791 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 124 4.529 -11.204 -11.954 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 124 3.574 -10.392 -11.052 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 125 14.693 -0.602 -1.770 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 125 15.282 -0.370 -1.042 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 125 15.273 -1.067 -2.405 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 126 5.457 -19.677 -14.242 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 126 5.413 -18.717 -14.162 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 126 5.710 -19.983 -13.337 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 127 2.550 -15.828 -9.244 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 127 2.778 -14.977 -9.686 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 127 1.787 -16.147 -9.730 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 128 8.317 -10.305 -18.089 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 128 7.649 -10.998 -18.092 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 128 7.805 -9.481 -17.960 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 129 11.987 -14.921 -14.497 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 129 11.271 -14.635 -13.900 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 129 12.533 -14.118 -14.607 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 130 10.179 -9.258 -8.776 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 130 10.269 -8.534 -9.431 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 130 9.531 -8.910 -8.124 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 131 10.631 -13.138 -12.744 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 131 10.888 -12.229 -12.959 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 131 9.652 -13.123 -12.770 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 132 9.058 -5.733 -15.243 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 132 8.773 -6.653 -15.056 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 132 8.556 -5.483 -16.026 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 133 8.536 -11.225 -6.397 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 133 8.278 -10.302 -6.611 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 133 8.204 -11.751 -7.154 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 134 10.322 -1.993 -3.886 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 134 9.465 -1.655 -3.611 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 134 10.969 -1.406 -3.436 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 135 15.512 -13.840 -15.302 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 135 15.034 -14.479 -15.871 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 135 14.840 -13.149 -15.112 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 136 14.639 -3.207 -14.383 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 136 14.423 -3.840 -13.675 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 136 13.761 -2.979 -14.780 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 137 7.969 -8.250 -14.938 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 137 7.856 -8.495 -15.877 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 137 7.075 -7.958 -14.663 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 138 10.256 -4.847 -8.890 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 138 10.233 -5.717 -9.343 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 138 11.217 -4.637 -8.827 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 139 10.849 -4.554 -13.589 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 139 10.314 -4.206 -12.834 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 139 10.185 -4.993 -14.172 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 140 13.930 -4.219 -3.716 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 140 13.170 -4.216 -4.343 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 140 14.221 -3.292 -3.697 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 141 14.621 -6.375 -14.790 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 141 14.912 -6.332 -13.867 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 141 15.297 -5.861 -15.278 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 142 10.280 -7.092 -10.525 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 142 11.091 -6.782 -10.991 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 142 9.617 -7.161 -11.223 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 143 6.239 -16.990 -16.906 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 143 5.604 -17.473 -17.466 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 143 6.891 -17.666 -16.658 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 144 15.644 -5.010 -8.986 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 144 16.593 -5.052 -9.231 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 144 15.642 -4.532 -8.124 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 145 12.229 -0.286 -2.834 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 145 12.044 0.644 -2.659 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 145 13.061 -0.464 -2.332 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 146 6.668 -8.152 -17.388 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 146 6.224 -7.791 -18.189 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 146 6.117 -7.829 -16.647 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 147 8.320 -5.865 -7.263 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 147 8.998 -5.432 -7.825 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 147 7.855 -5.134 -6.849 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 148 10.319 -8.815 -4.665 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 148 9.928 -9.432 -4.022 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 148 10.877 -9.382 -5.230 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 149 12.119 -2.698 -15.193 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 149 11.440 -2.135 -15.575 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 149 11.621 -3.329 -14.631 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 150 6.691 -16.460 -7.935 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 150 7.180 -16.603 -7.108 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 150 5.749 -16.476 -7.662 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 151 6.442 -15.737 -10.525 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 151 6.145 -14.808 -10.410 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 151 6.539 -16.067 -9.601 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 152 8.560 -8.488 -6.723 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 152 8.307 -7.554 -6.918 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 152 9.098 -8.421 -5.901 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 153 13.445 -13.096 -0.972 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 153 12.816 -13.354 -0.261 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 153 12.914 -12.510 -1.551 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 154 11.214 -10.584 -6.593 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 154 10.336 -10.975 -6.406 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 154 11.059 -10.018 -7.376 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 155 7.757 -17.291 -5.423 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 155 8.289 -17.987 -5.871 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 155 6.877 -17.712 -5.291 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 156 6.763 -15.508 -3.509 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 156 6.076 -16.103 -3.133 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 156 7.128 -16.012 -4.257 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 157 9.979 -16.119 -3.888 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 157 10.539 -15.923 -4.670 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 157 9.145 -16.452 -4.272 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 158 10.816 -17.852 -1.964 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 158 10.552 -17.221 -2.669 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 158 10.487 -17.451 -1.155 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 159 4.918 -17.411 -2.878 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 159 4.942 -17.798 -3.782 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 159 4.217 -17.893 -2.433 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 160 7.590 -13.168 -2.460 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 160 6.828 -12.948 -1.913 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 160 7.313 -13.987 -2.941 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 161 16.060 -3.312 -6.868 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 161 15.543 -2.494 -6.854 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 161 16.924 -3.043 -7.236 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 162 18.350 -3.521 -5.137 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 162 18.760 -3.487 -6.023 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 162 17.411 -3.698 -5.317 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 163 15.642 -7.285 -1.660 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 163 15.877 -6.823 -2.490 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 163 15.852 -8.226 -1.842 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 164 16.275 -10.702 -13.689 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 164 16.889 -10.960 -14.388 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 164 15.595 -10.157 -14.158 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 165 15.982 -7.950 -5.310 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 165 15.891 -7.069 -4.899 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 165 15.078 -8.209 -5.521 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 166 13.282 -12.303 -14.700 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 166 12.918 -11.591 -15.256 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 166 13.254 -11.936 -13.795 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 167 13.668 -15.319 -16.744 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 167 12.943 -15.362 -16.088 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 167 13.287 -14.790 -17.484 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 168 14.703 -15.191 -11.437 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 168 14.806 -16.029 -11.921 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 168 15.300 -14.567 -11.900 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 169 15.238 -1.388 -9.978 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 169 15.417 -1.436 -10.942 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 169 14.280 -1.429 -9.912 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 170 11.834 -3.652 -5.378 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 170 11.147 -3.155 -4.870 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 170 11.332 -4.133 -6.049 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 171 9.146 -20.583 -10.046 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 171 9.447 -20.853 -10.943 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 171 8.775 -19.685 -10.182 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 172 11.438 -17.717 -14.667 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 172 11.589 -16.752 -14.729 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 172 11.496 -17.906 -13.704 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 173 7.433 -14.789 -15.797 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 173 7.137 -15.094 -14.921 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 173 7.040 -15.439 -16.419 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 174 15.837 -19.266 -2.233 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 174 15.906 -20.202 -1.933 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 174 14.904 -19.161 -2.454 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 175 16.242 -5.662 -3.845 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 175 15.402 -5.172 -4.000 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 175 16.749 -5.071 -3.241 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 176 10.589 -14.932 2.829 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 176 10.047 -14.687 3.601 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 176 11.138 -15.678 3.151 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 177 11.141 -12.237 8.650 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 177 11.170 -12.098 7.677 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 177 11.658 -13.056 8.788 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 178 13.270 -7.872 5.421 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 178 12.350 -7.817 5.089 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 178 13.241 -7.405 6.284 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 179 16.076 -14.360 10.113 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 179 15.499 -15.111 9.887 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 179 15.824 -14.130 11.025 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 180 13.606 -16.153 5.931 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 180 14.579 -16.161 6.077 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 180 13.261 -16.779 6.601 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 181 10.603 -8.065 4.600 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 181 10.747 -8.076 3.621 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 181 9.783 -7.568 4.710 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 182 11.021 -12.527 5.927 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 182 10.422 -13.253 5.654 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 182 10.970 -11.882 5.183 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 183 13.063 -6.707 7.902 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 183 12.710 -6.553 8.806 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 183 13.515 -5.875 7.676 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 184 16.146 -7.496 3.790 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 184 16.234 -7.241 2.851 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 184 17.002 -7.227 4.192 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 185 12.098 -7.043 10.524 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 185 11.760 -6.602 11.314 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 185 11.525 -7.838 10.428 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 186 11.644 -6.366 0.268 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 186 10.873 -6.005 -0.188 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 186 12.408 -6.042 -0.263 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 187 11.411 -10.806 0.651 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 187 11.321 -11.762 0.850 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 187 11.379 -10.768 -0.324 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 188 17.618 -17.669 -0.914 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 188 17.927 -18.108 -0.093 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 188 17.030 -18.333 -1.333 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 189 19.457 -5.001 2.349 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 189 18.733 -5.492 1.941 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 189 19.075 -4.109 2.518 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 190 15.605 -13.621 12.783 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 190 15.309 -13.499 13.712 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 190 16.532 -13.302 12.788 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 191 10.753 -18.723 9.687 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 191 11.003 -17.860 10.093 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 191 9.960 -18.999 10.188 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 192 13.329 -15.115 12.224 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 192 12.656 -14.603 12.725 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 192 14.164 -14.628 12.384 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 193 11.322 -11.723 -2.055 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 193 10.767 -11.268 -2.720 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 193 10.894 -12.600 -1.953 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 194 10.083 -14.181 -1.798 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 194 9.177 -13.813 -1.899 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 194 10.123 -14.894 -2.467 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 195 10.966 -10.796 3.835 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 195 10.833 -10.737 2.878 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 195 10.773 -9.898 4.159 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 196 11.317 -14.116 13.761 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 196 10.367 -13.912 13.590 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 196 11.298 -14.996 14.202 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 197 13.584 -13.320 5.608 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 197 12.678 -12.995 5.792 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 197 13.517 -14.289 5.720 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 198 12.027 -14.871 8.725 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 198 11.529 -15.224 7.976 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 198 11.674 -15.362 9.500 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 199 14.313 -16.427 9.157 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 199 13.688 -15.681 9.049 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 199 13.879 -17.166 8.687 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 200 9.434 -14.750 5.469 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 200 9.136 -14.488 6.371 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 200 9.548 -15.717 5.529 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 201 11.344 -13.547 0.660 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 201 10.781 -13.888 -0.069 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 201 11.037 -14.048 1.457 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 202 10.868 -8.426 1.937 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 202 11.030 -9.249 1.427 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 202 11.083 -7.709 1.306 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 203 15.480 -9.062 12.432 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 203 15.063 -8.707 11.619 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 203 16.433 -8.857 12.317 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 204 16.330 -6.678 1.043 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 204 15.850 -5.835 1.161 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 204 16.191 -6.901 0.104 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 205 10.770 -9.405 9.988 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 205 10.267 -10.230 9.980 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 205 10.867 -9.177 9.031 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 206 11.104 -8.655 7.424 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 206 10.867 -8.646 6.483 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 206 11.794 -7.971 7.505 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 207 13.247 -6.175 2.576 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 207 13.820 -5.468 2.228 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 207 12.543 -6.258 1.911 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 208 14.821 -4.356 1.143 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 208 15.460 -3.647 0.906 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 208 14.346 -4.538 0.303 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 209 8.595 -19.355 7.905 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 209 8.074 -18.572 7.601 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 209 9.461 -18.980 8.154 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 210 9.886 -17.477 5.502 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 210 10.590 -17.213 4.870 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 210 10.158 -18.374 5.791 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 211 12.022 -16.987 3.905 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 211 12.687 -16.611 4.529 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 211 12.380 -17.865 3.675 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 212 9.086 -14.060 8.089 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 212 9.687 -13.304 8.248 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 212 8.667 -14.210 8.943 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 213 7.488 -17.174 6.822 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 213 6.960 -16.419 6.543 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 213 8.250 -17.175 6.208 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 214 19.545 -13.783 9.356 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 214 19.297 -14.285 10.164 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 214 20.029 -13.002 9.704 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 215 13.730 -5.354 -1.189 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 215 13.676 -4.907 -2.063 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 215 14.345 -6.103 -1.344 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 216 12.906 -10.803 11.035 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 216 12.211 -10.200 10.710 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 216 12.492 -11.671 11.016 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 217 8.624 -13.814 13.619 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 217 8.477 -14.679 14.063 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 217 7.820 -13.319 13.797 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 218 12.396 -12.921 15.955 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 218 12.055 -13.243 15.093 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 218 11.605 -12.738 16.469 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 219 8.729 -16.279 14.702 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 219 8.691 -16.785 13.869 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 219 9.660 -16.358 14.984 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 220 15.586 -9.280 5.894 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 220 16.019 -8.752 5.199 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 220 14.681 -8.924 5.927 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 221 14.562 -8.170 10.019 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 221 13.681 -7.848 10.299 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 221 14.646 -7.860 9.109 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 222 15.412 -10.320 14.832 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 222 14.827 -9.785 15.379 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 222 15.312 -9.937 13.925 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 223 18.241 -12.846 13.116 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 223 18.428 -13.221 14.007 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 223 18.604 -13.515 12.497 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 224 18.145 -16.129 2.483 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 224 17.676 -16.207 3.331 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 224 18.251 -17.066 2.180 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 225 15.776 -17.677 17.289 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 225 16.033 -18.526 16.876 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 225 15.065 -17.914 17.892 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 226 19.321 -15.009 11.788 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 226 20.010 -15.034 12.484 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 226 19.188 -15.944 11.548 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 227 14.853 -5.466 5.732 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 227 15.796 -5.653 5.647 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 227 14.425 -6.150 5.185 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 228 5.836 -21.095 4.831 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 228 5.096 -20.510 5.023 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 228 5.421 -21.934 4.599 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 229 12.609 -18.098 7.708 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 229 12.327 -18.708 6.993 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 229 12.036 -18.341 8.463 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 230 14.700 -20.799 4.339 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 230 13.850 -20.359 4.160 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 230 14.517 -21.750 4.169 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 231 15.655 -3.599 3.825 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 231 15.170 -3.866 3.026 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 231 15.188 -4.055 4.553 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 232 11.459 -16.612 14.899 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 232 11.512 -17.170 15.703 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 232 12.113 -17.018 14.284 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 233 15.032 -13.046 15.407 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 233 14.086 -13.046 15.687 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 233 15.241 -12.097 15.281 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 234 18.781 -13.923 15.547 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 234 19.109 -13.678 16.421 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 234 17.958 -14.439 15.735 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 235 18.482 -16.882 14.714 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 235 19.016 -16.684 15.507 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 235 17.647 -16.402 14.870 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 236 16.873 -2.669 0.393 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 236 17.342 -2.636 1.259 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 236 17.191 -1.868 -0.082 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 237 17.158 -3.794 -2.117 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 237 17.033 -3.477 -1.195 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 237 16.796 -3.066 -2.670 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 238 13.615 -1.535 -4.962 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 238 12.999 -2.199 -5.331 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 238 13.054 -0.989 -4.375 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 239 36.223 -15.862 -36.384 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 239 36.736 -16.153 -37.162 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 239 35.893 -16.698 -35.994 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 240 37.954 -22.240 -30.955 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 240 37.779 -23.088 -31.367 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 240 38.822 -22.359 -30.520 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 241 30.746 -18.749 -35.853 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 241 31.684 -18.983 -35.701 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 241 30.613 -18.907 -36.790 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 242 26.614 -28.429 -9.237 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 242 26.020 -28.336 -10.018 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 242 26.065 -28.883 -8.575 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 243 23.034 -26.229 -12.677 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 243 22.757 -25.555 -13.333 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 243 22.859 -25.806 -11.812 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 244 30.512 -23.347 -5.570 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 244 29.627 -23.280 -5.164 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 244 31.053 -23.786 -4.884 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 245 23.080 -30.627 -13.880 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 245 23.411 -29.737 -14.129 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 245 23.879 -31.200 -13.935 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 246 27.772 -20.483 -10.413 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 246 28.068 -19.737 -10.985 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 246 28.411 -20.494 -9.695 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 247 24.409 -26.578 -7.880 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 247 25.253 -26.383 -8.339 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 247 24.422 -27.554 -7.760 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 248 24.627 -27.845 -10.984 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 248 23.812 -28.157 -10.533 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 248 24.296 -27.292 -11.714 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 249 22.352 -25.232 -6.771 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 249 22.637 -24.330 -6.938 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 249 23.066 -25.787 -7.161 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 250 17.982 -22.390 -13.010 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 250 18.129 -21.653 -13.641 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 250 17.177 -22.831 -13.347 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 251 34.718 -22.832 -8.226 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 251 33.908 -22.749 -7.666 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 251 34.953 -23.784 -8.169 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 252 28.835 -18.490 -11.992 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 252 28.251 -18.407 -12.775 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 252 29.634 -17.982 -12.236 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 253 36.086 -27.083 -9.886 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 253 37.065 -27.196 -9.853 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 253 35.783 -27.815 -10.427 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 254 41.657 -26.670 -8.990 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 254 41.373 -25.739 -9.061 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 254 42.269 -26.671 -8.221 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 255 22.870 -25.293 -10.032 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 255 23.683 -24.746 -10.009 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 255 23.111 -26.096 -9.534 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 256 20.123 -25.066 -9.883 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 256 21.107 -25.125 -9.889 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 256 19.829 -25.993 -10.027 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 257 32.685 -21.972 -6.626 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 257 32.886 -21.442 -5.826 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 257 31.832 -22.411 -6.412 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 258 26.208 -22.138 -11.904 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 258 26.777 -21.571 -11.329 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 258 25.964 -22.890 -11.332 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 259 25.554 -31.767 -14.136 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 259 26.050 -32.101 -14.889 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 259 26.188 -31.773 -13.411 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 260 27.400 -18.509 -14.355 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 260 27.307 -19.483 -14.450 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 260 28.145 -18.280 -14.956 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 261 29.612 -18.053 -15.918 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 261 30.533 -17.915 -15.620 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 261 29.687 -18.165 -16.869 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 262 21.222 -30.268 -11.843 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 262 21.939 -30.557 -12.451 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 262 20.761 -29.567 -12.336 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 263 20.599 -31.009 -7.522 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 263 20.549 -31.968 -7.472 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 263 20.148 -30.789 -8.365 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 264 19.312 -30.603 -9.928 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 264 20.024 -30.648 -10.608 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 264 18.586 -31.106 -10.313 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 265 38.769 -27.156 -9.482 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 265 38.758 -26.488 -8.770 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 265 39.712 -27.344 -9.614 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 266 25.458 -23.809 -4.223 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 266 24.923 -24.359 -3.613 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 266 25.084 -22.907 -4.124 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 267 19.952 -25.726 -5.660 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 267 20.841 -25.601 -6.072 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 267 20.001 -26.619 -5.254 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 268 20.118 -28.275 -4.619 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 268 20.074 -28.292 -3.635 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 268 19.646 -29.072 -4.889 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 269 24.734 -29.266 -7.262 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 269 25.164 -30.069 -6.950 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 269 23.827 -29.319 -6.885 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 270 31.806 -24.153 -3.271 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 270 31.253 -23.442 -2.875 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 270 31.867 -24.828 -2.566 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 271 36.067 -25.196 -7.931 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 271 35.886 -25.871 -8.630 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 271 37.045 -25.227 -7.819 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 272 26.946 -25.808 -8.716 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 272 27.026 -26.754 -8.996 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 272 27.780 -25.627 -8.264 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 273 25.334 -23.877 -9.792 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 273 25.576 -23.143 -9.217 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 273 25.950 -24.599 -9.530 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 274 25.832 -26.275 -5.378 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 274 25.789 -25.318 -5.170 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 274 25.369 -26.356 -6.228 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 275 34.898 -20.125 -8.069 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 275 34.538 -21.036 -8.155 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 275 34.129 -19.556 -8.192 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 276 24.631 -25.942 -15.918 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 276 24.246 -26.786 -15.606 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 276 25.521 -26.176 -16.196 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 277 23.209 -28.011 -14.708 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 277 22.273 -28.115 -14.935 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 277 23.200 -27.437 -13.905 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 278 27.047 -21.228 -14.394 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 278 26.875 -21.571 -13.491 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 278 27.294 -22.009 -14.899 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 279 22.404 -24.662 -14.905 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 279 23.260 -24.974 -15.279 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 279 21.806 -24.621 -15.685 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 280 38.070 -17.426 -8.068 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 280 38.098 -16.706 -8.735 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 280 38.918 -17.893 -8.187 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 281 28.225 -23.352 -3.932 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 281 27.311 -23.250 -4.254 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 281 28.152 -24.037 -3.235 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 282 26.049 -27.345 -2.938 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 282 26.256 -28.284 -2.971 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 282 25.996 -27.074 -3.891 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 283 19.710 -31.075 -0.745 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 283 20.603 -31.467 -0.892 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 283 19.123 -31.833 -0.726 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 284 22.295 -29.555 -5.980 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 284 21.706 -28.841 -5.674 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 284 21.733 -30.079 -6.601 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 285 24.098 -25.464 -2.421 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 285 23.320 -25.881 -1.995 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 285 24.752 -26.194 -2.490 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 286 22.792 -30.698 -3.530 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 286 22.661 -30.447 -4.467 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 286 23.012 -29.870 -3.094 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 287 22.209 -28.480 -9.950 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 287 21.343 -28.044 -9.873 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 287 22.018 -29.301 -10.441 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 288 22.014 -32.282 -1.447 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 288 22.682 -32.965 -1.348 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 288 22.290 -31.789 -2.254 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 289 20.637 -19.012 -14.634 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 289 19.978 -19.678 -14.884 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 289 20.139 -18.386 -14.071 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 290 15.022 -21.510 -10.031 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 290 14.888 -21.686 -10.986 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 290 14.639 -20.618 -9.903 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 291 32.062 -25.811 -1.067 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 291 31.178 -25.771 -0.635 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 291 32.352 -26.719 -0.931 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 292 19.521 -28.192 -13.005 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 292 19.083 -27.425 -13.392 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 292 19.871 -28.686 -13.782 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 293 36.062 -24.957 -5.183 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 293 35.303 -24.413 -4.878 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 293 35.867 -25.137 -6.125 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 294 32.309 -17.721 -15.203 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 294 32.750 -18.563 -15.029 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 294 32.996 -17.181 -15.663 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 295 30.133 -22.198 -2.289 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 295 29.408 -22.380 -2.922 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 295 29.684 -21.755 -1.531 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 296 33.530 -20.676 -4.284 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 296 34.167 -19.928 -4.256 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 296 33.098 -20.653 -3.400 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 297 21.189 -18.803 -11.429 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 297 21.934 -18.603 -12.018 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 297 20.431 -18.346 -11.841 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 298 36.341 -20.841 -14.146 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 298 37.057 -21.395 -14.506 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 298 35.950 -21.388 -13.452 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 299 23.043 -18.455 -13.533 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 299 23.458 -19.335 -13.409 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 299 22.252 -18.642 -14.094 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 300 18.247 -25.837 12.471 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 300 18.712 -26.186 13.265 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 300 18.674 -26.291 11.731 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 301 18.855 -21.752 11.225 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 301 19.016 -22.153 12.103 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 301 19.272 -22.380 10.599 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 302 17.472 -28.637 4.397 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 302 17.939 -29.477 4.183 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 302 16.554 -28.907 4.542 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 303 17.226 -23.540 6.295 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 303 18.110 -23.943 6.194 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 303 17.061 -23.573 7.264 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 304 28.373 -19.436 9.767 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 304 28.926 -19.482 8.953 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 304 27.544 -19.902 9.523 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 305 17.520 -28.239 7.273 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 305 17.416 -27.979 6.344 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 305 18.476 -28.112 7.449 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 306 27.195 -21.392 14.016 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 306 27.583 -21.403 14.895 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 306 27.928 -21.087 13.432 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 307 19.628 -25.002 6.309 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 307 19.863 -25.701 6.941 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 307 19.525 -25.481 5.456 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 308 22.068 -22.477 8.056 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 308 21.799 -22.625 7.122 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 308 22.929 -21.999 7.982 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 309 26.714 -22.755 11.669 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 309 26.615 -23.684 11.893 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 309 26.682 -22.292 12.536 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 310 22.129 -28.566 8.917 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 310 21.782 -28.774 9.810 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 310 23.025 -28.917 8.925 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 311 23.930 -24.415 1.570 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 311 23.914 -25.321 1.203 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 311 24.133 -23.845 0.795 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 312 18.975 -23.383 13.521 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 312 19.160 -23.699 14.428 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 312 18.662 -24.186 13.051 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 313 16.813 -32.230 5.086 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 313 16.418 -31.597 5.724 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 313 16.603 -33.096 5.451 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 314 34.863 -19.178 1.650 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 314 35.319 -20.033 1.764 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 314 35.598 -18.542 1.474 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 315 20.428 -20.203 4.750 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 315 19.989 -20.375 3.894 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 315 20.668 -21.098 5.076 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 316 33.268 -23.398 -0.550 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 316 32.953 -24.300 -0.772 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 316 34.229 -23.427 -0.748 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 317 30.223 -19.790 7.671 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 317 30.649 -20.581 8.009 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 317 30.728 -19.576 6.860 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 318 23.276 -28.603 2.567 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 318 22.339 -28.664 2.851 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 318 23.679 -29.402 2.913 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 319 19.961 -26.447 14.446 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 319 19.598 -26.072 15.275 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 319 20.500 -27.216 14.740 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 320 26.565 -25.577 0.551 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 320 25.872 -26.271 0.522 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 320 26.185 -24.892 1.119 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 321 17.302 -23.787 8.989 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 321 18.251 -23.828 9.204 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 321 16.873 -24.306 9.695 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 322 29.587 -25.361 -0.043 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 322 29.106 -25.234 -0.887 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 322 28.884 -25.554 0.599 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 323 16.045 -24.980 11.234 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 323 16.747 -25.263 11.863 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 323 15.886 -25.778 10.686 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 324 35.783 -23.648 -1.668 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 324 36.588 -23.100 -1.687 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 324 35.311 -23.414 -2.495 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 325 21.111 -22.805 5.507 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 325 20.508 -23.533 5.769 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 325 21.771 -23.244 4.916 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 326 18.626 -28.335 1.592 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 326 17.958 -28.297 2.291 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 326 18.102 -28.393 0.760 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 327 25.931 -20.797 9.908 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 327 25.096 -20.521 10.340 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 327 26.237 -21.561 10.446 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 328 24.182 -18.103 6.892 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 328 23.533 -18.085 6.156 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 328 24.922 -17.578 6.570 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 329 34.289 -23.273 -3.969 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 329 34.091 -22.326 -4.146 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 329 33.409 -23.663 -3.755 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 330 20.253 -27.789 7.110 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 330 20.618 -28.206 6.322 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 330 20.903 -28.009 7.820 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 331 19.335 -26.656 4.204 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 331 20.078 -27.209 3.893 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 331 18.602 -27.296 4.339 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 332 24.665 -23.288 -0.811 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 332 25.264 -22.698 -1.285 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 332 24.547 -24.049 -1.415 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 333 22.828 -24.305 4.047 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 333 23.167 -24.193 3.129 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 333 23.340 -25.037 4.397 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 334 19.965 -26.107 0.732 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 334 19.421 -25.530 1.296 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 334 19.621 -27.004 0.914 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 335 20.651 -28.977 3.335 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 335 20.146 -28.762 2.520 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 335 20.186 -29.755 3.700 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 336 18.179 -18.735 1.614 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 336 18.831 -19.450 1.784 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 336 17.303 -19.188 1.692 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 337 16.527 -15.357 16.008 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 337 16.123 -16.096 16.519 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 337 15.808 -14.697 15.926 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 338 18.315 -24.739 15.914 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 338 18.013 -24.333 16.737 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 338 17.531 -24.701 15.327 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 339 29.424 -20.979 0.027 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 339 29.925 -21.712 0.455 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 339 29.788 -20.182 0.423 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 340 30.944 -23.050 0.889 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 340 30.523 -23.893 0.634 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 340 31.839 -23.098 0.493 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 341 16.013 -24.401 14.391 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 341 15.529 -25.253 14.327 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 341 15.617 -23.961 15.166 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 342 27.564 -25.237 -1.966 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 342 27.154 -25.202 -1.073 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 342 27.103 -25.979 -2.407 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 343 21.661 -28.595 14.349 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 343 22.308 -29.089 14.862 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 343 21.729 -28.967 13.453 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 344 24.157 -26.975 0.579 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 344 23.924 -27.590 1.315 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 344 23.407 -27.060 -0.047 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 345 21.948 -26.877 -1.049 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 345 21.344 -27.506 -1.491 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 345 21.381 -26.441 -0.373 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 346 37.619 -25.409 -3.083 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 346 37.056 -25.285 -3.890 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 346 36.992 -25.320 -2.345 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 347 16.518 -27.292 9.749 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 347 16.802 -27.627 8.875 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 347 15.964 -28.012 10.113 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 348 31.955 -19.924 5.393 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 348 31.649 -20.507 4.692 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 348 32.919 -19.844 5.233 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 349 17.522 -21.132 14.016 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 349 18.032 -21.969 13.981 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 349 18.215 -20.435 14.073 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 350 20.103 -23.638 9.629 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 350 20.370 -24.551 9.799 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 350 20.804 -23.292 9.028 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 351 23.006 -21.026 20.137 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 351 23.768 -21.570 20.362 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 351 22.310 -21.335 20.725 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 352 27.400 -17.376 11.281 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 352 27.657 -18.126 10.694 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 352 28.239 -17.062 11.640 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 353 24.188 -20.747 7.754 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 353 24.271 -19.830 7.421 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 353 24.928 -20.838 8.387 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 354 19.813 -20.989 2.081 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 354 19.288 -21.715 1.683 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 354 20.728 -21.227 1.888 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 355 34.534 -20.067 4.269 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 355 34.457 -19.506 3.471 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 355 35.135 -20.783 3.994 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 356 17.102 -24.154 19.155 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 356 16.675 -24.791 19.740 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 356 17.875 -23.858 19.650 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 357 15.915 -22.979 16.994 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 357 16.321 -23.367 17.800 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 357 14.963 -22.904 17.219 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 358 19.543 -19.301 14.251 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 358 19.069 -18.442 14.366 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 358 20.207 -19.304 14.978 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 359 35.852 -7.715 -46.216 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 359 35.270 -6.961 -46.031 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 359 35.392 -8.475 -45.805 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 360 35.550 -12.088 -43.110 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 360 35.722 -11.132 -43.019 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 360 36.305 -12.416 -43.638 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 361 36.212 -9.396 -42.867 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 361 35.576 -9.176 -42.143 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 361 37.078 -9.118 -42.516 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 362 33.299 -5.094 -48.032 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 362 32.350 -4.874 -47.868 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 362 33.774 -4.250 -47.850 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 363 28.983 -10.916 -39.363 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 363 28.757 -11.832 -39.091 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 363 29.662 -11.034 -40.067 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 364 30.867 -4.536 -47.025 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 364 30.615 -3.757 -46.499 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 364 30.227 -5.232 -46.748 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 365 33.383 -11.538 -40.473 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 365 33.918 -10.751 -40.691 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 365 33.711 -11.815 -39.593 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 366 33.701 0.317 -41.674 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 366 34.343 0.167 -42.398 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 366 33.804 1.266 -41.457 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 367 33.497 -6.009 -45.477 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 367 33.448 -5.718 -46.417 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 367 32.849 -5.434 -45.016 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 368 29.610 -5.950 -43.148 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 368 30.381 -5.425 -43.425 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 368 29.750 -6.086 -42.195 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 369 31.681 -8.133 -45.881 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 369 32.366 -7.466 -45.680 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 369 32.065 -8.649 -46.623 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 370 29.416 -6.508 -45.852 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 370 29.250 -6.404 -44.893 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 370 30.080 -7.225 -45.903 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 371 30.768 -5.686 -40.599 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 371 30.466 -6.060 -39.743 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 371 30.793 -4.719 -40.444 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 372 33.364 -9.496 -47.543 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 372 33.658 -10.254 -48.099 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 372 33.808 -9.645 -46.684 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 373 34.463 -2.880 -46.933 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 373 33.877 -2.446 -46.286 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 373 35.358 -2.707 -46.591 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 374 29.915 -7.240 -38.514 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 374 29.895 -7.846 -37.747 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 374 29.139 -7.520 -39.056 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 375 31.800 -9.411 -43.459 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 375 31.491 -9.092 -44.332 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 375 32.061 -8.587 -42.985 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 376 28.038 -8.447 -40.051 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 376 27.484 -8.493 -40.836 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 376 28.237 -9.386 -39.839 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 377 31.006 -13.722 -39.785 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 377 31.873 -14.170 -39.669 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 377 31.199 -12.988 -40.384 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 378 31.902 -8.686 -39.879 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 378 31.224 -8.067 -39.541 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 378 31.393 -9.338 -40.396 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 379 36.534 -2.345 -45.173 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 379 36.096 -3.156 -44.811 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 379 37.489 -2.479 -44.964 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 380 34.479 -11.425 -49.104 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 380 34.614 -11.073 -49.989 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 380 34.905 -12.304 -49.129 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 381 35.450 -4.598 -44.126 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 381 34.839 -5.191 -44.605 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 381 35.240 -4.751 -43.180 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 382 32.433 -6.974 -42.403 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 382 31.944 -6.582 -41.651 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 382 32.541 -6.238 -43.022 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 383 34.315 -9.537 -44.884 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 383 33.472 -9.647 -44.403 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 383 34.991 -9.504 -44.175 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 384 30.922 -10.938 -41.325 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 384 31.832 -11.215 -41.062 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 384 31.048 -10.519 -42.206 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 385 36.418 -15.152 -39.607 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 385 37.040 -15.793 -39.200 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 385 36.638 -15.178 -40.564 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 386 34.089 -14.248 -42.381 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 386 33.401 -14.287 -43.054 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 386 34.486 -13.348 -42.494 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 387 31.897 -4.437 -43.784 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 387 31.406 -3.831 -44.381 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 387 32.318 -3.837 -43.134 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 388 30.775 -2.375 -45.269 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 388 30.183 -1.620 -45.184 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 388 31.676 -1.976 -45.265 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 389 33.313 -1.534 -44.772 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 389 33.163 -1.879 -43.865 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 389 34.022 -0.873 -44.655 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 390 29.788 -7.146 -29.849 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 390 29.238 -6.867 -30.604 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 390 29.604 -6.474 -29.159 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 391 34.116 -8.195 -27.024 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 391 34.993 -7.754 -26.935 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 391 33.638 -7.926 -26.235 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 392 28.626 -3.364 -30.946 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 392 29.473 -3.441 -30.461 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 392 28.717 -2.536 -31.449 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 393 36.413 -15.172 -28.071 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 393 35.968 -14.292 -28.048 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 393 36.743 -15.248 -28.991 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 394 31.897 -19.525 -31.322 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 394 31.042 -19.869 -31.054 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 394 31.684 -18.873 -32.024 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 395 37.796 -15.625 -23.262 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 395 37.267 -15.770 -24.086 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 395 38.301 -16.438 -23.164 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 396 30.929 -5.922 -33.033 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 396 31.254 -6.527 -33.743 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 396 30.083 -6.319 -32.747 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 397 30.977 -17.826 -33.296 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 397 30.557 -16.959 -33.280 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 397 30.719 -18.200 -34.168 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 398 33.323 -4.553 -24.117 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 398 32.918 -3.769 -24.538 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 398 32.671 -4.828 -23.442 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 399 30.996 -3.663 -29.622 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 399 31.683 -4.265 -29.998 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 399 30.578 -4.195 -28.914 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 400 32.467 -5.631 -30.772 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 400 31.985 -5.682 -31.624 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 400 32.605 -6.558 -30.521 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 401 34.135 -11.438 -23.133 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 401 34.437 -12.005 -22.396 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 401 33.944 -10.595 -22.719 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 402 29.600 -10.994 -34.717 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 402 30.489 -10.916 -34.304 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 402 29.004 -11.106 -33.969 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 403 28.665 -13.510 -38.469 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 403 28.147 -14.309 -38.612 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 403 29.537 -13.708 -38.892 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 404 29.227 -5.086 -28.074 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 404 29.198 -5.088 -27.089 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 404 28.412 -4.638 -28.332 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 405 32.086 -7.501 -34.908 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 405 32.876 -7.854 -34.449 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 405 32.138 -7.892 -35.801 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 406 29.653 -3.619 -33.901 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 406 28.763 -3.982 -34.086 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 406 30.129 -4.362 -33.470 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 407 36.011 -18.467 -35.676 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 407 35.109 -18.792 -35.481 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 407 36.434 -19.206 -36.166 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 408 31.070 -1.743 -37.812 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 408 31.472 -0.854 -37.695 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 408 31.332 -2.232 -37.002 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 409 31.734 -3.137 -35.541 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 409 30.913 -3.173 -34.994 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 409 32.023 -4.058 -35.590 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 410 37.281 -19.439 -16.316 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 410 36.785 -19.790 -15.549 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 410 37.160 -18.473 -16.255 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 411 32.427 -8.987 -37.213 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 411 32.541 -8.887 -38.181 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 411 31.487 -9.264 -37.114 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 412 28.936 -13.522 -35.652 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 412 28.814 -13.495 -36.616 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 412 29.180 -12.612 -35.416 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 413 32.276 -8.296 -29.564 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 413 31.354 -7.952 -29.621 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 413 32.613 -7.938 -28.728 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 414 37.946 -0.179 -20.724 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 414 38.317 -0.755 -21.416 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 414 37.125 0.170 -21.125 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 415 31.520 -5.279 -22.129 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 415 30.707 -5.147 -22.629 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 415 31.231 -5.275 -21.198 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 416 34.083 -12.289 -37.907 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 416 33.523 -13.076 -38.016 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 416 33.804 -11.910 -37.041 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 417 28.328 -5.884 -31.995 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 417 27.734 -5.713 -32.752 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 417 28.393 -5.011 -31.545 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 418 28.885 -4.729 -25.386 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 418 28.077 -4.757 -24.868 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 418 29.261 -3.837 -25.198 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 419 37.529 -13.602 -35.739 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 419 36.989 -14.414 -35.906 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 419 37.363 -13.045 -36.520 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 420 37.840 -8.115 -18.991 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 420 38.809 -8.046 -19.080 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 420 37.700 -8.420 -18.069 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 421 35.356 -10.034 -30.963 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 421 34.995 -10.589 -31.689 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 421 34.725 -10.166 -30.223 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 422 29.766 -2.255 -24.771 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 422 30.743 -2.232 -24.917 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 422 29.493 -1.339 -24.875 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 423 27.071 -4.797 -34.264 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 423 26.550 -5.339 -34.865 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 423 26.749 -3.876 -34.431 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 424 33.937 -10.388 -28.623 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 424 34.157 -9.718 -27.936 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 424 33.117 -10.047 -29.025 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 425 30.794 -2.911 -40.265 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 425 30.963 -2.570 -39.355 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 425 29.999 -2.444 -40.545 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 426 29.798 -9.597 -37.068 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 426 29.593 -10.099 -36.248 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 426 29.380 -10.123 -37.784 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 427 32.973 -6.153 -18.805 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 427 33.698 -5.762 -19.331 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 427 32.184 -5.648 -19.072 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 428 32.767 -8.436 -17.346 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 428 33.133 -7.595 -17.708 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 428 31.970 -8.591 -17.883 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 429 36.508 -4.935 -28.614 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 429 35.958 -4.286 -28.130 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 429 37.186 -4.391 -29.050 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 430 33.466 -10.941 -35.627 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 430 33.257 -10.169 -36.197 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 430 32.865 -10.842 -34.864 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 431 35.308 -12.637 -20.870 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 431 35.809 -11.896 -20.466 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 431 35.227 -13.289 -20.153 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 432 37.163 -13.019 -22.942 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 432 37.373 -13.971 -23.081 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 432 36.432 -13.027 -22.291 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 433 33.618 -14.600 -39.673 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 433 33.746 -14.464 -40.636 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 433 34.486 -14.917 -39.365 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 434 31.976 -10.731 -33.301 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 434 32.709 -11.300 -32.982 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 434 32.107 -9.893 -32.834 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 435 35.422 -12.644 -27.834 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 435 34.787 -11.960 -28.125 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 435 35.534 -12.472 -26.869 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 436 35.848 -12.077 -25.213 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 436 36.478 -12.459 -24.573 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 436 35.092 -11.793 -24.656 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 437 39.220 -21.173 -17.193 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 437 39.643 -20.786 -17.994 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 437 38.513 -20.525 -16.960 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 438 33.332 -18.915 -34.864 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 438 33.717 -19.500 -34.166 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 438 32.941 -18.183 -34.363 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 439 38.510 -15.905 -18.165 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 439 39.204 -16.474 -18.548 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 439 38.909 -14.999 -18.176 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 440 36.698 -12.757 -38.391 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 440 36.580 -13.662 -38.766 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 440 35.785 -12.491 -38.126 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 441 35.864 -4.661 -25.075 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 441 35.818 -4.011 -25.807 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 441 34.939 -4.707 -24.740 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 442 35.502 -2.831 -27.135 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 442 35.752 -2.140 -26.476 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 442 35.182 -2.322 -27.906 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 443 34.362 -20.014 -32.661 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 443 33.705 -19.973 -31.939 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 443 35.227 -19.979 -32.203 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 444 26.355 -2.302 -35.046 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 444 27.086 -2.098 -35.678 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 444 25.851 -1.486 -34.997 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 445 36.316 -3.563 -22.535 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 445 36.342 -4.101 -23.354 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 445 36.897 -2.793 -22.737 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 446 32.759 -10.417 -13.688 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 446 32.347 -10.402 -12.810 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 446 32.152 -9.883 -14.243 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 447 30.203 -2.131 -11.571 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 447 29.567 -2.758 -11.963 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 447 29.662 -1.342 -11.365 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 448 16.230 -13.304 -12.710 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 448 16.125 -12.340 -12.823 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 448 16.097 -13.662 -13.612 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 449 31.858 -7.786 -8.112 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 449 32.542 -7.936 -7.440 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 449 31.444 -8.658 -8.233 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 450 23.155 -12.370 -6.243 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 450 23.026 -13.331 -6.360 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 450 23.488 -12.285 -5.333 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 451 31.117 -8.955 -15.275 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 451 30.597 -9.588 -15.812 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 451 31.770 -8.585 -15.909 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 452 16.380 -4.546 -16.009 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 452 15.873 -3.938 -15.425 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 452 16.158 -4.256 -16.902 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 453 31.869 -5.045 -8.162 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 453 31.772 -5.995 -8.405 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 453 31.907 -4.576 -9.022 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 454 30.150 -10.514 -12.339 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 454 29.894 -9.570 -12.423 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 454 30.066 -10.867 -13.254 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 455 29.900 -11.961 -14.613 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 455 30.341 -12.800 -14.864 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 455 29.747 -11.508 -15.467 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 456 34.578 -9.929 -15.791 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 456 34.028 -10.018 -14.985 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 456 34.004 -9.437 -16.420 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 457 17.066 -9.982 -11.152 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 457 16.795 -10.228 -12.062 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 457 16.731 -9.071 -11.040 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 458 27.946 -5.655 -10.323 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 458 28.596 -6.343 -10.151 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 458 27.536 -5.486 -9.451 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 459 28.269 -0.230 -10.919 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 459 27.811 0.469 -11.395 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 459 27.588 -0.929 -10.800 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 460 29.885 -10.684 -17.069 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 460 29.879 -9.884 -17.644 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 460 29.940 -11.421 -17.690 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 461 41.809 -19.829 -14.741 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 461 41.783 -20.646 -15.279 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 461 41.672 -19.105 -15.400 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 462 19.080 -4.968 -15.598 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 462 18.103 -4.918 -15.670 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 462 19.397 -4.514 -16.383 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 463 38.936 -5.574 -12.858 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 463 39.889 -5.781 -12.917 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 463 38.603 -5.755 -13.752 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 464 37.622 -5.101 -4.319 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 464 38.255 -5.325 -5.029 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 464 38.093 -5.366 -3.495 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 465 26.932 -4.934 -7.801 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 465 27.127 -5.165 -6.870 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 465 27.445 -4.106 -7.952 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 466 23.791 -15.196 -15.704 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 466 24.421 -15.764 -15.209 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 466 24.208 -15.067 -16.558 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 467 22.649 -12.809 -11.027 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 467 22.265 -13.494 -11.597 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 467 23.527 -12.638 -11.420 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 468 12.417 -13.942 -10.672 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 468 11.960 -13.781 -11.521 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 468 13.230 -14.438 -10.926 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 469 18.228 -14.470 -15.173 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 469 18.472 -14.781 -16.050 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 469 17.269 -14.279 -15.245 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 470 19.757 -14.718 -12.901 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 470 19.296 -14.589 -13.764 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 470 20.676 -14.981 -13.155 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 471 25.457 -12.636 -11.234 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 471 26.254 -12.114 -11.389 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 471 25.619 -13.470 -11.740 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 472 22.236 -15.571 -13.510 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 472 22.698 -15.275 -14.327 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 472 22.460 -16.515 -13.443 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 473 29.636 -7.901 -13.244 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 473 29.289 -7.053 -13.568 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 473 30.213 -8.214 -13.970 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 474 35.826 -14.787 -18.463 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 474 36.240 -13.938 -18.215 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 474 36.576 -15.406 -18.523 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 475 31.235 -14.279 -15.361 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 475 32.012 -13.869 -14.915 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 475 31.586 -15.094 -15.742 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 476 40.727 -15.333 -15.981 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 476 41.672 -15.116 -15.848 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 476 40.404 -14.618 -16.571 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 477 35.621 -6.521 -7.558 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 477 35.347 -5.594 -7.397 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 477 34.871 -7.049 -7.227 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 478 36.735 -5.479 -18.839 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 478 36.959 -6.421 -18.957 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 478 36.188 -5.264 -19.622 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 479 28.137 -3.879 -12.381 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 479 28.157 -4.592 -11.701 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 479 27.481 -3.246 -12.035 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 480 28.461 -5.633 -14.537 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 480 27.588 -5.961 -14.296 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 480 28.602 -4.868 -13.937 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 481 26.699 -2.412 -10.426 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 481 27.361 -2.642 -9.740 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 481 25.849 -2.709 -10.043 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 482 32.550 -2.319 -5.732 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 482 32.794 -2.262 -4.787 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 482 33.234 -2.904 -6.118 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 483 28.998 -6.056 -17.336 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 483 29.153 -5.886 -16.381 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 483 28.037 -6.061 -17.418 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 484 14.636 -9.179 -15.207 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 484 13.768 -9.482 -15.531 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 484 14.580 -8.207 -15.246 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 485 28.816 -15.245 -13.836 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 485 29.252 -14.861 -14.612 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 485 29.442 -15.934 -13.529 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 486 26.304 -14.703 -12.807 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 486 25.677 -15.396 -13.105 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 486 27.129 -14.913 -13.293 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 487 33.015 -15.120 -12.209 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 487 33.109 -14.371 -12.834 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 487 33.885 -15.182 -11.783 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 488 28.689 -0.072 -8.153 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 488 29.642 -0.239 -7.975 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 488 28.659 0.137 -9.107 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 489 20.067 -6.095 -13.348 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 489 19.792 -5.641 -14.184 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 489 20.586 -6.849 -13.651 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 490 21.637 -5.152 -0.802 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 490 21.476 -4.615 -0.015 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 490 20.908 -4.902 -1.417 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 491 29.177 -5.544 -2.856 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 491 29.098 -5.933 -1.964 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 491 30.058 -5.114 -2.849 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 492 34.735 -4.992 -20.765 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 492 35.368 -4.437 -21.277 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 492 34.034 -5.192 -21.400 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 493 30.124 -8.354 -18.441 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 493 29.759 -7.580 -17.960 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 493 30.214 -8.044 -19.350 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 494 18.324 -5.313 -9.605 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 494 19.230 -5.646 -9.793 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 494 18.475 -4.545 -9.009 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 495 39.610 -3.096 -6.990 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 495 38.934 -2.640 -7.503 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 495 39.738 -3.951 -7.469 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 496 32.254 -2.922 -10.015 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 496 33.045 -2.673 -10.503 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 496 31.509 -2.662 -10.612 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 497 33.100 -5.763 -4.427 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 497 32.345 -5.522 -3.853 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 497 33.889 -5.511 -3.898 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 498 37.200 -9.111 -16.458 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 498 36.269 -9.268 -16.190 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 498 37.619 -9.975 -16.364 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 499 39.795 -11.632 -13.323 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 499 39.573 -10.705 -13.447 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 499 40.617 -11.756 -13.855 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 500 34.016 -4.455 -6.633 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 500 33.702 -4.926 -5.833 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 500 33.303 -4.607 -7.294 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 501 35.692 -12.480 -15.588 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 501 36.211 -12.585 -16.414 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 501 35.339 -11.569 -15.646 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 502 37.003 -10.567 -20.064 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 502 37.079 -9.623 -19.817 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 502 37.656 -10.674 -20.799 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 503 33.339 -13.076 -14.097 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 503 34.211 -13.081 -14.545 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 503 33.167 -12.125 -13.923 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 504 34.352 -16.294 -16.432 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 504 35.234 -16.512 -16.066 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 504 34.553 -15.751 -17.217 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 505 36.611 -14.135 -13.516 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 505 36.364 -13.528 -14.241 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 505 37.479 -14.493 -13.788 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 506 31.250 -13.725 -7.896 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 506 31.904 -14.389 -8.137 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 506 31.679 -13.220 -7.168 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 507 37.114 -16.674 -15.931 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 507 37.643 -16.314 -15.196 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 507 37.620 -16.423 -16.737 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 508 41.436 -17.940 -16.654 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 508 41.212 -18.022 -17.595 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 508 41.134 -17.040 -16.415 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 509 14.451 -17.943 -12.227 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 509 14.515 -18.318 -11.329 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 509 13.488 -17.928 -12.405 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 510 30.520 -4.999 -19.457 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 510 30.004 -5.364 -18.706 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 510 30.433 -4.042 -19.359 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 511 26.004 -0.698 -6.856 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 511 26.269 -1.322 -6.151 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 511 26.846 -0.343 -7.192 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 512 30.246 -3.775 -6.392 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 512 30.888 -3.127 -6.039 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 512 30.785 -4.339 -6.993 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 513 17.395 -0.810 -8.506 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 513 17.504 0.142 -8.598 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 513 16.611 -1.020 -9.069 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 514 20.833 -2.615 -11.172 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 514 19.867 -2.556 -11.371 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 514 21.241 -2.027 -11.815 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 515 28.452 -2.759 -8.255 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 515 29.200 -3.051 -7.691 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 515 28.490 -1.777 -8.209 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 516 18.663 -3.101 -7.915 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 516 18.290 -2.223 -8.184 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 516 19.644 -2.976 -8.004 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 517 20.863 -5.367 -10.788 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 517 20.653 -5.623 -11.711 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 517 20.978 -4.394 -10.831 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 518 22.101 -7.673 -9.730 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 518 21.316 -7.851 -9.181 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 518 21.901 -6.818 -10.153 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 519 38.295 -15.521 -9.999 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 519 37.400 -15.509 -10.408 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 519 38.785 -14.822 -10.476 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 520 35.933 -15.681 -11.460 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 520 35.784 -16.491 -11.961 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 520 36.150 -15.007 -12.152 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 521 22.024 -22.691 -12.980 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 521 22.117 -23.345 -13.706 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 521 22.716 -22.022 -13.172 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 522 19.219 -17.446 -12.860 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 522 18.288 -17.574 -13.140 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 522 19.311 -16.475 -12.769 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 523 24.200 -20.993 -13.417 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 523 24.805 -21.368 -12.741 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 523 24.763 -20.879 -14.198 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 524 30.941 -16.833 -12.939 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 524 31.588 -16.214 -12.529 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 524 31.424 -17.206 -13.704 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 525 25.228 -16.865 -14.094 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 525 26.002 -17.469 -14.179 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 525 24.491 -17.456 -13.830 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 526 38.343 -4.073 -10.618 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 526 38.815 -4.540 -9.892 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 526 38.496 -4.640 -11.407 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 527 33.501 -2.655 -3.084 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 527 34.198 -3.352 -3.054 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 527 33.943 -1.866 -2.752 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 528 20.151 -11.378 10.539 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 528 20.176 -11.158 11.479 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 528 20.616 -10.631 10.105 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 529 21.487 -11.486 7.652 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 529 21.991 -11.267 6.841 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 529 21.474 -10.648 8.162 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 530 28.903 -14.629 4.754 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 530 29.015 -14.833 5.707 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 530 29.541 -15.231 4.304 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 531 25.053 -11.047 3.745 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 531 25.872 -10.972 4.290 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 531 25.360 -11.470 2.913 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 532 22.882 -16.600 11.821 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 532 22.221 -17.322 11.861 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 532 23.740 -17.057 11.929 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 533 26.232 -9.770 -1.566 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 533 26.961 -10.178 -1.058 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 533 26.391 -8.811 -1.486 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 534 29.126 -12.402 -3.774 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 534 29.864 -12.174 -3.189 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 534 29.125 -13.375 -3.794 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 535 27.358 -11.108 5.228 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 535 27.450 -11.776 5.943 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 535 28.149 -11.252 4.668 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 536 22.880 -11.003 5.359 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 536 22.503 -10.155 5.041 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 536 23.767 -11.041 4.934 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 537 25.462 -8.966 9.933 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 537 25.921 -9.442 9.203 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 537 25.925 -8.125 9.991 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 538 28.185 -11.103 -0.062 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 538 28.451 -12.016 0.103 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 538 29.032 -10.633 -0.216 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 539 20.988 -14.425 13.951 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 539 20.176 -14.406 14.503 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 539 21.590 -13.783 14.393 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 540 32.524 -20.952 -1.712 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 540 32.877 -21.702 -1.196 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 540 31.616 -21.231 -1.944 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 541 24.302 -11.571 -2.299 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 541 24.636 -12.229 -2.933 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 541 25.063 -10.962 -2.157 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 542 35.254 -4.767 -3.030 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 542 36.004 -4.714 -3.666 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 542 35.606 -5.324 -2.298 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 543 18.186 -8.873 12.196 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 543 19.086 -8.498 12.127 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 543 18.200 -9.368 13.038 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 544 18.358 -6.866 5.245 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 544 18.476 -7.055 6.181 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 544 19.232 -6.531 4.956 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 545 26.432 -2.607 -4.883 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 545 26.946 -3.420 -5.090 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 545 26.848 -2.262 -4.085 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 546 20.159 -7.029 10.055 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 546 20.435 -7.284 10.963 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 546 19.478 -6.365 10.194 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 547 23.557 -19.933 11.232 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 547 24.121 -19.301 11.721 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 547 22.662 -19.755 11.562 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 548 23.016 -13.398 8.808 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 548 22.757 -13.511 9.755 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 548 22.435 -12.673 8.485 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 549 25.946 -12.123 1.372 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 549 26.556 -11.552 0.864 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 549 26.520 -12.861 1.689 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 550 22.268 -13.967 11.349 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 550 22.532 -14.907 11.469 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 550 21.850 -13.732 12.189 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 551 20.852 -8.206 12.428 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 551 21.756 -8.505 12.191 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 551 20.798 -8.355 13.402 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 552 26.925 -10.199 7.977 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 552 26.849 -9.967 7.039 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 552 27.416 -11.043 7.970 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 553 25.702 -13.080 9.233 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 553 24.769 -13.314 9.022 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 553 25.653 -12.160 9.523 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 554 23.431 -11.924 0.266 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 554 24.313 -12.025 0.678 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 554 23.619 -11.902 -0.698 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 555 27.824 -13.905 2.285 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 555 28.712 -13.880 1.883 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 555 27.984 -14.235 3.193 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 556 21.417 -9.297 9.287 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 556 20.951 -8.433 9.379 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 556 22.148 -9.242 9.938 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 557 26.604 -6.912 -1.395 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 557 25.838 -6.464 -0.964 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 557 26.676 -6.480 -2.256 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 558 21.643 -8.654 4.597 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 558 21.526 -7.688 4.456 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 558 20.959 -8.881 5.237 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 559 23.075 -9.569 2.360 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 559 22.589 -9.151 3.095 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 559 23.830 -10.012 2.792 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 560 31.634 -7.673 -0.679 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 560 31.298 -8.585 -0.563 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 560 30.841 -7.115 -0.564 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 561 21.244 -15.178 7.738 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 561 22.081 -14.747 8.016 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 561 20.556 -14.714 8.264 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 562 30.800 -10.305 -0.548 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 562 31.057 -10.605 -1.445 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 562 31.465 -10.716 0.046 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 563 31.178 -13.262 14.328 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 563 31.317 -12.429 13.877 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 563 31.785 -13.239 15.070 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 564 22.905 -5.813 -3.158 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 564 22.606 -5.530 -2.269 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 564 23.487 -5.082 -3.456 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 565 27.731 -12.761 7.367 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 565 28.376 -13.497 7.365 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 565 27.038 -13.052 7.997 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 566 25.070 -18.090 12.591 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 566 25.866 -17.787 12.094 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 566 25.431 -18.496 13.391 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 567 29.364 -15.009 7.460 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 567 28.705 -15.194 8.173 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 567 30.209 -15.255 7.852 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 568 24.478 -5.429 -0.440 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 568 24.486 -4.461 -0.604 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 568 23.538 -5.638 -0.325 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 569 20.867 -6.025 4.447 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 569 20.425 -5.697 3.625 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 569 21.465 -5.310 4.693 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 570 28.026 -4.809 -5.219 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 570 28.839 -4.455 -5.648 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 570 28.351 -5.184 -4.367 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 571 31.681 -4.574 -2.404 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 571 32.051 -4.901 -1.574 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 571 32.211 -3.770 -2.605 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 572 20.453 -9.028 14.987 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 572 19.641 -9.572 14.878 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 572 20.541 -8.924 15.939 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 573 29.117 -6.553 -0.277 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 573 28.987 -6.198 0.609 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 573 28.220 -6.853 -0.549 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 574 18.163 -10.434 14.457 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 574 17.237 -10.398 14.780 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 574 18.223 -11.301 14.002 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 575 23.211 -9.323 11.423 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 575 23.513 -9.979 12.062 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 575 24.015 -9.132 10.879 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 576 33.823 -7.833 -5.976 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 576 34.544 -7.949 -5.314 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 576 33.277 -7.107 -5.598 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 577 22.580 -16.599 14.768 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 577 23.176 -16.814 14.035 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 577 21.969 -15.933 14.389 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 578 21.343 -18.595 16.243 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 578 21.885 -17.977 15.708 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 578 21.969 -18.925 16.931 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 579 21.876 -15.023 17.000 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 579 22.306 -15.650 16.390 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 579 21.065 -15.488 17.286 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 580 23.129 -19.078 18.224 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 580 23.751 -18.486 18.657 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 580 23.009 -19.813 18.867 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 581 23.864 -2.877 -1.226 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 581 23.898 -3.051 -2.192 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 581 23.453 -2.011 -1.156 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 582 18.047 -2.718 2.850 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 582 17.210 -3.004 3.292 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 582 18.347 -1.947 3.384 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 583 32.490 -11.331 1.399 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 583 33.271 -11.827 1.681 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 583 32.211 -10.837 2.211 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 584 31.560 -10.295 3.728 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 584 30.818 -10.920 3.895 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 584 31.508 -9.670 4.456 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 585 34.194 -8.405 -1.364 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 585 34.231 -9.184 -0.797 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 585 33.306 -8.014 -1.178 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 586 29.592 -12.123 3.936 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 586 29.774 -12.420 3.023 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 586 29.364 -12.953 4.412 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 587 30.501 -13.315 1.523 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 587 31.136 -12.588 1.376 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 587 31.037 -14.128 1.386 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 588 22.643 -12.895 15.511 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 588 22.346 -13.518 16.213 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 588 23.509 -12.599 15.809 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 589 30.736 -16.166 3.420 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 589 31.300 -15.849 2.684 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 589 31.067 -17.051 3.605 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 590 27.564 -15.134 9.481 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 590 26.843 -14.475 9.570 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 590 27.306 -15.854 10.082 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 591 32.350 -15.408 1.295 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 591 32.425 -16.307 0.893 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 591 33.257 -15.036 1.215 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 592 22.246 -18.201 4.917 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 592 21.556 -18.897 5.037 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 592 22.515 -18.298 3.998 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 593 28.983 -20.929 12.023 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 593 28.776 -21.762 11.577 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 593 28.902 -20.256 11.317 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 594 32.731 -17.993 0.364 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 594 33.465 -18.395 0.880 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 594 32.658 -18.560 -0.417 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 595 18.566 -0.586 4.486 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 595 19.244 0.004 4.832 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 595 17.753 -0.291 4.912 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 596 23.920 -3.376 -3.919 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 596 24.703 -3.086 -4.436 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 596 23.157 -2.971 -4.391 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 597 20.972 -18.610 11.995 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 597 20.242 -18.184 11.511 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 597 20.543 -18.974 12.802 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 598 19.664 -16.701 17.251 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 598 20.201 -17.500 17.046 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 598 19.012 -17.010 17.893 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 599 19.747 -4.506 -2.705 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 599 19.794 -4.324 -3.662 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 599 18.859 -4.180 -2.445 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 600 36.859 3.302 -42.431 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 600 37.054 2.347 -42.441 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 600 37.738 3.724 -42.457 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 601 39.582 3.768 -42.098 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 601 39.794 3.161 -42.834 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 601 40.442 3.885 -41.631 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 602 34.440 2.994 -41.166 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 602 34.265 3.829 -40.698 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 602 35.211 3.201 -41.742 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 603 34.897 5.189 -39.120 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 603 34.941 5.378 -38.156 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 603 35.524 5.836 -39.516 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 604 38.622 3.812 -39.548 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 604 37.688 3.508 -39.535 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 604 38.839 3.887 -40.502 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 605 35.553 -0.271 -43.612 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 605 36.263 0.101 -43.050 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 605 36.001 -0.967 -44.138 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 606 32.694 -2.215 -42.178 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 606 32.117 -2.514 -41.446 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 606 33.025 -1.336 -41.879 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 607 31.402 1.941 -33.883 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 607 32.295 1.805 -34.227 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 607 31.468 2.783 -33.372 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 608 32.018 4.321 -32.680 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 608 31.537 5.169 -32.580 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 608 32.959 4.574 -32.603 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 609 32.924 -0.694 -27.661 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 609 32.106 -0.605 -28.185 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 609 33.590 -0.992 -28.312 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 610 37.689 4.480 -26.559 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 610 36.842 4.389 -26.107 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 610 38.336 4.098 -25.930 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 611 32.133 0.764 -37.224 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 611 32.271 1.521 -37.806 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 611 32.836 0.858 -36.537 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 612 36.153 2.409 -24.342 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 612 35.522 2.048 -25.005 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 612 36.126 1.752 -23.612 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 613 31.049 -0.962 -29.920 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 613 31.057 -1.934 -29.767 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 613 30.555 -0.858 -30.758 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 614 34.600 5.359 -32.879 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 614 34.435 6.019 -33.558 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 614 35.345 4.830 -33.236 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 615 32.424 -2.041 -25.150 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 615 32.704 -1.594 -25.975 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 615 33.073 -1.735 -24.477 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 616 29.386 8.869 -33.303 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 616 29.165 9.758 -33.011 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 616 28.771 8.694 -34.022 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 617 31.120 6.927 -32.371 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 617 30.462 7.533 -32.770 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 617 31.557 7.460 -31.705 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 618 35.923 4.334 -22.360 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 618 35.946 3.731 -23.133 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 618 35.338 3.893 -21.736 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 619 37.120 6.716 -39.674 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 619 37.614 6.492 -38.859 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 619 37.780 7.113 -40.249 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 620 34.008 0.962 -35.268 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 620 34.908 1.316 -35.210 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 620 34.078 0.060 -34.888 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 621 38.047 5.080 -29.205 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 621 37.339 5.695 -29.425 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 621 37.860 4.820 -28.270 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 622 34.429 0.793 -25.778 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 622 33.830 0.412 -26.447 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 622 35.048 0.059 -25.564 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 623 33.834 -1.699 -34.465 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 623 34.413 -2.457 -34.639 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 623 32.961 -1.984 -34.808 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 624 35.920 0.462 -22.444 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 624 36.579 -0.132 -22.887 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 624 35.084 -0.040 -22.494 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 625 36.157 2.789 -38.993 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 625 35.715 3.658 -38.858 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 625 35.585 2.335 -39.634 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 626 29.810 -1.238 -32.493 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 626 29.771 -2.026 -33.076 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 626 29.798 -0.489 -33.106 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 627 29.922 0.419 -35.556 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 627 30.576 0.524 -36.273 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 627 30.240 1.034 -34.857 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 628 28.413 -1.577 -36.659 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 628 29.121 -1.892 -37.239 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 628 28.815 -0.813 -36.188 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 629 36.775 7.550 -10.312 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 629 35.881 7.285 -10.081 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 629 36.660 8.154 -11.073 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 630 40.312 3.042 -7.870 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 630 40.864 2.288 -7.568 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 630 40.457 3.074 -8.835 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 631 39.073 1.790 -19.173 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 631 38.652 1.417 -19.967 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 631 38.753 2.722 -19.142 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 632 18.249 -2.568 -11.989 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 632 18.025 -3.492 -12.209 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 632 17.433 -2.071 -12.189 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 633 36.865 8.302 -15.809 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 633 37.441 7.537 -15.599 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 633 36.642 8.177 -16.756 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 634 15.811 -1.442 -12.676 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 634 15.387 -2.052 -13.322 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 634 15.917 -0.618 -13.165 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 635 24.720 -3.747 -8.921 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 635 25.451 -4.242 -8.488 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 635 24.123 -4.436 -9.236 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 636 23.552 -1.909 -7.194 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 636 24.261 -1.250 -7.018 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 636 23.990 -2.579 -7.760 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 637 34.787 8.978 -14.163 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 637 35.466 8.626 -14.777 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 637 35.278 9.161 -13.347 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 638 37.145 9.165 -12.553 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 638 37.953 9.550 -12.153 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 638 37.407 8.958 -13.461 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 639 36.358 8.316 -18.600 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 639 36.065 9.241 -18.488 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 639 37.265 8.396 -18.975 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 640 35.411 5.879 -19.434 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 640 35.668 6.805 -19.224 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 640 35.799 5.716 -20.304 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 641 34.354 -1.665 -23.253 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 641 35.033 -1.479 -23.951 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 641 34.699 -2.452 -22.796 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 642 38.301 5.954 -15.402 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 642 38.892 6.119 -16.174 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 642 37.565 5.430 -15.777 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 643 36.141 4.945 -16.971 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 643 35.833 5.337 -17.823 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 643 35.340 4.587 -16.576 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 644 16.062 -1.872 -3.788 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 644 15.311 -1.646 -4.384 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 644 16.810 -1.361 -4.140 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 645 39.942 -0.716 -13.513 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 645 39.409 -1.187 -12.832 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 645 39.836 0.211 -13.289 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 646 37.333 -3.477 -17.010 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 646 37.228 -4.176 -17.701 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 646 36.637 -3.675 -16.374 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 647 21.193 -2.509 -8.419 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 647 22.038 -2.149 -8.077 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 647 21.298 -2.489 -9.390 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 648 21.658 -2.500 -5.195 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 648 22.155 -2.207 -5.987 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 648 21.305 -3.381 -5.445 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 649 17.757 -0.657 -1.239 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 649 18.176 0.178 -1.010 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 649 18.195 -0.923 -2.079 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 650 19.007 -1.299 -3.649 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 650 19.909 -1.075 -3.926 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 650 18.821 -2.143 -4.114 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 651 44.273 -19.713 -41.687 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 651 44.570 -19.064 -42.364 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 651 43.689 -20.315 -42.178 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 652 42.492 -19.935 -43.984 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 652 41.692 -19.382 -44.133 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 652 43.228 -19.294 -43.995 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 653 50.336 -17.145 -41.153 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 653 50.884 -16.375 -40.917 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 653 50.168 -17.585 -40.297 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 654 44.574 -18.097 -43.841 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 654 45.214 -18.013 -44.582 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 654 43.987 -17.316 -43.943 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 655 50.626 -21.180 -41.614 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 655 50.304 -21.172 -42.548 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 655 51.518 -20.816 -41.670 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 656 38.184 -16.680 -38.142 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 656 38.797 -16.239 -37.515 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 656 38.708 -17.431 -38.498 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 657 42.525 -18.167 -40.227 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 657 42.761 -18.383 -39.316 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 657 43.118 -18.732 -40.768 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 658 47.217 -22.550 -38.095 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 658 48.156 -22.533 -38.350 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 658 46.790 -21.937 -38.723 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 659 48.922 -18.166 -43.250 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 659 48.246 -18.529 -42.657 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 659 49.542 -17.697 -42.642 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 660 44.392 -22.992 -39.968 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 660 44.371 -23.354 -40.856 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 660 45.054 -22.270 -40.017 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 661 48.556 -19.606 -40.556 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 661 48.977 -19.144 -39.803 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 661 49.269 -20.167 -40.919 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 662 39.081 -16.483 -43.075 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 662 38.283 -16.115 -42.636 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 662 39.823 -16.210 -42.493 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 663 41.502 -15.976 -41.794 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 663 41.999 -16.008 -42.642 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 663 41.876 -16.714 -41.267 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 664 46.251 -17.725 -46.055 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 664 47.085 -17.302 -45.761 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 664 46.531 -18.291 -46.802 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 665 49.739 -20.649 -44.135 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 665 49.525 -20.744 -45.069 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 665 49.502 -19.722 -43.927 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 666 48.969 -17.137 -45.899 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 666 49.653 -16.450 -46.075 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 666 49.118 -17.388 -44.966 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 667 40.477 -18.186 -44.712 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 667 39.859 -17.783 -44.062 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 667 40.057 -18.015 -45.578 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 668 42.119 -20.826 -46.558 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 668 42.300 -20.667 -45.607 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 668 41.641 -21.661 -46.571 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 669 49.767 -22.555 -39.404 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 669 50.057 -22.097 -40.224 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 669 49.803 -23.490 -39.632 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 670 40.498 -22.980 -30.070 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 670 40.943 -23.651 -29.541 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 670 40.784 -23.176 -30.998 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 671 46.453 -18.066 -24.585 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 671 46.714 -18.550 -25.404 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 671 46.372 -17.135 -24.875 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 672 48.288 -21.957 -29.470 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 672 47.553 -21.655 -28.902 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 672 49.062 -21.993 -28.865 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 673 44.275 -17.450 -32.539 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 673 44.465 -17.110 -31.640 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 673 43.325 -17.661 -32.517 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 674 52.565 -25.259 -34.716 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 674 52.335 -26.190 -34.758 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 674 52.088 -24.929 -33.947 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 675 44.479 -20.765 -30.774 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 675 44.849 -20.259 -31.527 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 675 44.158 -21.597 -31.184 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 676 45.737 -19.646 -32.987 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 676 45.322 -18.754 -32.883 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 676 46.622 -19.457 -33.319 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 677 49.979 -18.121 -38.594 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 677 49.449 -17.939 -37.801 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 677 50.904 -17.922 -38.317 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 678 57.109 -23.174 -20.235 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 678 57.312 -22.223 -20.076 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 678 56.397 -23.366 -19.622 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 679 44.498 -19.142 -22.723 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 679 44.889 -18.951 -23.592 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 679 45.051 -18.634 -22.099 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 680 41.332 -23.706 -32.519 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 680 41.103 -23.713 -33.470 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 680 42.298 -23.534 -32.505 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 681 57.012 -19.100 -24.867 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 681 57.034 -19.196 -25.847 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 681 57.749 -18.484 -24.675 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 682 46.669 -22.727 -31.577 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 682 46.597 -21.806 -31.854 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 682 47.320 -22.706 -30.846 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 683 52.652 -22.465 -35.045 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 683 52.277 -22.229 -35.922 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 683 52.826 -23.422 -35.111 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 684 44.030 -23.086 -32.280 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 684 44.057 -22.966 -33.261 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 684 44.968 -23.240 -32.033 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 685 44.681 -16.409 -27.171 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 685 45.070 -15.937 -26.414 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 685 43.723 -16.420 -26.981 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 686 43.440 -19.858 -34.680 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 686 42.797 -19.616 -33.973 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 686 44.305 -19.821 -34.235 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 687 42.792 -25.235 -36.206 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 687 43.317 -25.794 -35.628 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 687 43.458 -24.705 -36.696 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 688 47.422 -19.343 -26.760 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 688 47.635 -18.581 -27.344 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 688 46.948 -19.966 -27.346 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 689 52.946 -18.002 -34.026 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 689 53.426 -17.579 -33.308 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 689 53.260 -17.528 -34.831 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 690 40.279 -20.392 -29.194 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 690 41.197 -20.109 -29.016 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 690 40.370 -21.311 -29.516 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 691 37.865 -20.028 -36.989 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 691 38.343 -19.737 -37.778 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 691 38.542 -20.499 -36.459 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 692 40.681 -23.787 -35.240 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 692 39.983 -24.290 -35.671 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 692 41.514 -24.192 -35.584 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 693 43.965 -22.611 -34.925 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 693 43.730 -21.675 -35.069 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 693 44.241 -22.928 -35.809 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 694 41.591 -19.391 -36.731 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 694 40.973 -20.039 -36.323 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 694 42.384 -19.433 -36.158 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 695 39.888 -21.130 -35.477 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 695 40.233 -22.031 -35.299 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 695 39.676 -20.773 -34.585 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 696 57.590 -19.207 -27.478 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 696 58.564 -19.306 -27.389 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 696 57.360 -19.773 -28.225 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 697 39.153 -19.704 -33.266 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 697 38.374 -19.848 -32.692 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 697 38.923 -18.904 -33.783 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 698 44.369 -16.380 -17.347 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 698 44.449 -16.945 -16.554 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 698 43.980 -16.967 -18.025 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 699 44.768 -23.693 -37.356 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 699 44.451 -23.489 -38.264 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 699 45.714 -23.435 -37.375 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 700 47.859 -19.840 -21.129 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 700 48.086 -19.872 -22.083 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 700 48.684 -20.150 -20.679 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 701 51.652 -21.808 -37.506 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 701 51.964 -20.959 -37.833 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 701 50.908 -22.037 -38.099 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 702 37.099 -16.568 -32.557 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 702 37.623 -16.824 -33.346 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 702 36.748 -17.409 -32.224 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 703 36.915 -19.798 -31.545 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 703 37.171 -20.716 -31.289 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 703 37.381 -19.230 -30.885 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 704 50.700 -21.922 -28.144 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 704 51.490 -22.041 -27.610 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 704 51.040 -21.683 -29.027 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 705 54.750 -18.458 -23.517 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 705 55.528 -18.441 -24.111 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 705 54.666 -19.391 -23.268 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 706 53.126 -17.731 -21.482 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 706 52.356 -18.281 -21.739 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 706 53.712 -17.761 -22.274 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 707 50.931 -21.184 -30.893 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 707 51.138 -20.932 -31.829 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 707 49.981 -21.383 -30.905 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 708 42.841 -19.428 -29.048 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 708 43.452 -19.929 -29.631 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 708 42.524 -18.686 -29.617 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 709 43.275 -20.236 -20.461 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 709 44.116 -20.615 -20.113 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 709 43.482 -20.022 -21.397 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 710 48.589 -19.637 -23.840 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 710 47.911 -18.933 -23.925 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 710 48.588 -20.065 -24.709 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 711 42.107 -14.859 -26.177 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 711 41.771 -15.766 -26.304 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 711 41.962 -14.431 -27.045 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 712 41.886 -17.259 -27.484 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 712 42.226 -18.143 -27.711 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 712 41.313 -17.024 -28.241 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 713 44.632 -16.875 -29.860 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 713 44.750 -16.865 -28.882 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 713 43.673 -17.064 -29.983 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 714 45.851 -20.985 -28.360 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 714 45.500 -20.909 -29.274 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 714 45.060 -20.986 -27.805 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 715 38.544 -18.442 -29.885 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 715 39.088 -19.203 -29.577 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 715 39.159 -17.681 -29.841 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 716 41.775 -19.119 -32.625 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 716 41.728 -18.586 -31.803 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 716 40.847 -19.404 -32.777 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 717 38.444 -17.460 -34.779 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 717 37.646 -17.800 -35.244 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 717 38.932 -16.974 -35.466 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 718 51.755 -20.440 -33.381 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 718 52.153 -19.596 -33.690 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 718 52.150 -21.122 -33.970 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 719 40.003 -18.646 -38.805 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 719 40.584 -18.908 -38.053 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 719 40.614 -18.553 -39.554 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 720 53.466 -21.306 -23.127 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 720 54.446 -21.300 -23.130 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 720 53.237 -22.042 -22.552 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 721 43.193 -25.858 -6.807 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 721 43.924 -25.220 -6.880 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 721 42.668 -25.531 -6.056 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 722 53.630 -21.138 -11.122 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 722 53.547 -22.029 -11.480 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 722 53.279 -21.214 -10.200 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 723 42.242 -22.800 -6.840 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 723 41.957 -23.317 -6.059 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 723 43.214 -22.894 -6.844 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 724 43.043 -27.770 -11.109 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 724 42.510 -27.348 -10.407 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 724 43.094 -28.688 -10.846 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 725 47.192 -18.762 -6.287 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 725 47.192 -19.013 -5.337 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 725 47.056 -17.785 -6.275 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 726 51.408 -18.325 -9.397 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 726 51.766 -18.179 -8.498 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 726 52.186 -18.549 -9.931 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 727 44.021 -22.246 -9.388 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 727 44.538 -22.871 -8.865 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 727 44.181 -21.385 -8.956 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 728 45.395 -24.030 -3.793 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 728 46.225 -24.462 -3.503 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 728 44.724 -24.349 -3.145 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 729 52.873 -21.147 -8.540 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 729 52.104 -20.977 -7.986 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 729 53.614 -20.727 -8.060 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 730 49.776 -17.253 -17.515 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 730 48.825 -17.181 -17.292 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 730 49.862 -16.772 -18.351 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 731 46.963 -21.901 -7.194 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 731 47.691 -21.306 -6.980 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 731 46.214 -21.299 -7.389 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 732 46.911 -16.081 -5.904 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 732 45.985 -15.907 -5.654 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 732 47.378 -15.251 -5.691 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 733 43.472 -21.943 -3.956 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 733 43.698 -21.178 -4.521 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 733 44.123 -22.623 -4.205 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 734 41.588 -24.529 -4.839 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 734 41.460 -24.103 -3.969 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 734 40.844 -25.168 -4.905 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 735 51.330 -15.205 -9.319 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 735 52.293 -15.012 -9.357 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 735 51.089 -15.029 -8.387 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 736 49.056 -21.411 0.884 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 736 49.895 -20.962 0.694 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 736 49.136 -22.277 0.422 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 737 40.203 -19.559 -12.525 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 737 39.644 -20.359 -12.514 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 737 40.761 -19.667 -13.328 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 738 53.279 -17.530 -16.992 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 738 52.904 -17.127 -17.807 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 738 54.114 -17.033 -16.844 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 739 41.378 -22.933 -2.565 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 739 42.021 -22.494 -3.174 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 739 41.658 -22.629 -1.672 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 740 49.132 -23.873 -0.272 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 740 50.042 -24.180 -0.035 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 740 48.913 -24.376 -1.071 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 741 44.942 -23.610 -6.494 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 741 45.137 -23.897 -5.577 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 741 45.755 -23.127 -6.771 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 742 38.778 -25.184 -7.565 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 742 39.081 -25.477 -6.679 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 742 39.572 -24.761 -7.965 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 743 51.691 -24.483 0.387 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 743 52.458 -25.060 0.383 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 743 51.955 -23.735 0.972 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 744 51.308 -19.476 -18.002 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 744 50.714 -18.727 -17.801 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 744 52.172 -19.187 -17.667 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 745 40.693 -22.994 -13.690 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 745 41.367 -23.186 -13.007 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 745 41.215 -22.747 -14.481 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 746 44.171 -19.509 -13.392 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 746 43.317 -19.647 -13.859 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 746 44.004 -19.821 -12.497 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 747 52.585 -18.073 -6.905 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 747 52.904 -17.185 -6.617 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 747 53.399 -18.603 -6.984 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 748 56.220 -20.916 -22.958 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 748 56.607 -20.351 -23.668 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 748 56.775 -20.738 -22.184 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 749 47.275 -17.361 -16.403 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 749 46.493 -17.199 -15.819 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 749 47.247 -18.311 -16.573 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 750 45.079 -17.393 -14.840 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 750 44.694 -16.677 -14.282 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 750 44.838 -18.220 -14.363 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 751 54.000 -15.043 -9.626 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 751 54.765 -14.441 -9.757 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 751 54.391 -15.826 -9.177 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 752 38.817 -21.941 -12.030 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 752 37.997 -22.453 -12.197 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 752 39.499 -22.399 -12.570 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 753 45.794 -20.971 -19.671 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 753 46.128 -21.850 -19.480 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 753 46.528 -20.535 -20.156 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 754 47.433 -19.248 0.907 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 754 46.471 -19.462 0.939 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 754 47.874 -20.127 0.873 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 755 50.252 -20.644 -20.206 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 755 50.684 -20.320 -19.383 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 755 50.777 -20.242 -20.927 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 756 38.617 -23.099 -1.928 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 756 39.561 -22.949 -2.123 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 756 38.421 -23.959 -2.349 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 757 45.507 -22.012 -1.674 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 757 45.635 -22.451 -2.530 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 757 44.554 -21.842 -1.636 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 758 39.431 -26.168 -5.031 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 758 38.808 -25.954 -4.300 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 758 39.426 -27.133 -5.072 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 759 43.691 -24.635 -1.715 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 759 42.750 -24.465 -1.867 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 759 43.804 -24.508 -0.757 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 760 48.834 -15.440 -14.898 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 760 49.745 -15.768 -15.030 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 760 48.283 -16.053 -15.407 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 761 39.909 -16.988 -11.800 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 761 39.261 -17.007 -11.079 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 761 40.050 -17.941 -12.024 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 762 39.234 -20.705 -9.649 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 762 39.984 -20.097 -9.727 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 762 39.156 -21.108 -10.546 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 763 55.988 -19.990 -10.117 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 763 55.253 -20.371 -10.634 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 763 56.723 -19.920 -10.764 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 764 40.890 -24.021 -8.903 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 764 41.408 -23.469 -8.273 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 764 41.161 -23.695 -9.784 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 765 50.062 -17.295 -5.759 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 765 50.859 -17.732 -6.125 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 765 49.324 -17.845 -6.069 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 766 47.487 -19.157 -3.549 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 766 47.251 -19.636 -2.746 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 766 48.053 -18.437 -3.241 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 767 54.982 -19.578 -7.637 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 767 55.753 -19.522 -7.032 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 767 55.383 -19.801 -8.517 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 768 42.336 -23.406 -11.294 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 768 42.812 -24.239 -11.404 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 768 42.926 -22.867 -10.716 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 769 44.965 -20.096 -7.524 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 769 45.696 -19.455 -7.418 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 769 44.431 -19.977 -6.713 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 770 36.668 -23.432 -12.932 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 770 36.244 -24.297 -12.905 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 770 37.128 -23.414 -13.802 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 771 46.057 -17.742 -20.924 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 771 46.763 -18.427 -20.937 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 771 46.419 -17.036 -20.331 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 772 51.284 -16.550 -15.382 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 772 52.194 -16.783 -15.641 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 772 50.737 -16.877 -16.129 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 773 41.550 -22.158 -16.223 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 773 40.686 -21.822 -16.567 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 773 42.014 -22.461 -17.011 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 774 46.423 -18.965 5.956 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 774 45.871 -19.471 6.601 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 774 46.350 -19.482 5.123 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 775 50.956 -22.686 4.487 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 775 50.140 -22.190 4.229 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 775 50.629 -23.557 4.741 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 776 36.706 -21.034 2.683 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 776 37.350 -20.416 3.076 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 776 37.191 -21.438 1.940 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 777 52.311 -22.270 6.873 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 777 52.209 -21.333 7.040 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 777 51.935 -22.398 5.983 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 778 46.059 -20.478 3.662 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 778 45.302 -21.086 3.759 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 778 45.873 -20.005 2.828 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 779 40.048 -16.888 4.374 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 779 40.730 -17.310 3.811 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 779 39.946 -17.511 5.126 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 780 50.122 -16.852 3.289 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 780 49.187 -16.838 3.577 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 780 50.627 -16.828 4.132 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 781 47.521 -16.907 4.228 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 781 47.236 -17.540 4.916 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 781 47.365 -16.025 4.634 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 782 46.367 -23.837 0.163 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 782 47.327 -23.717 0.313 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 782 46.118 -23.081 -0.415 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 783 43.767 -23.778 1.150 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 783 43.466 -24.336 1.913 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 783 44.730 -23.962 1.081 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 784 41.196 -23.857 5.590 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 784 40.498 -23.273 5.270 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 784 41.656 -23.323 6.275 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 785 41.075 -26.533 5.006 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 785 41.050 -25.602 5.310 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 785 40.730 -27.034 5.747 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 786 43.593 -21.530 2.802 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 786 43.840 -20.808 2.180 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 786 43.620 -22.338 2.255 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 787 52.340 -22.461 2.103 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 787 52.850 -21.651 2.202 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 787 51.885 -22.564 2.967 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 788 41.659 -20.700 4.555 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 788 41.750 -19.778 4.243 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 788 42.283 -21.203 3.986 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 789 40.442 -19.873 -0.740 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 789 41.101 -19.437 -0.157 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 789 40.929 -20.607 -1.134 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 790 37.116 -19.191 5.210 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 790 36.202 -19.495 5.095 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 790 37.090 -18.248 4.932 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 791 48.651 -21.615 3.574 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 791 47.797 -21.180 3.751 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 791 48.753 -21.554 2.602 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 792 42.475 -21.880 -0.354 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 792 42.832 -22.561 0.257 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 792 42.560 -21.037 0.149 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 793 47.187 -25.316 -2.066 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 793 46.796 -24.927 -1.257 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 793 47.026 -26.260 -1.976 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 794 42.739 -24.941 3.400 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 794 42.444 -24.339 4.104 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 794 42.325 -25.794 3.633 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 795 38.639 -21.516 0.522 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 795 39.126 -20.845 -0.003 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 795 38.452 -22.224 -0.119 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 796 37.283 -16.625 4.248 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 796 37.146 -16.134 3.423 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 796 38.254 -16.704 4.318 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 797 39.735 -19.079 5.991 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 797 40.121 -19.819 5.489 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 797 38.763 -19.186 5.868 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 798 44.586 -20.296 7.460 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 798 44.126 -21.149 7.421 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 798 43.879 -19.655 7.660 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 799 39.233 -19.548 2.429 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 799 40.181 -19.386 2.530 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 799 39.182 -20.324 1.835 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 800 49.449 -8.422 -50.936 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 800 49.786 -7.527 -51.010 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 800 48.544 -8.368 -51.305 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 801 38.343 -13.540 -50.225 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 801 38.582 -12.951 -49.482 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 801 37.370 -13.611 -50.167 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 802 55.764 -15.884 -45.699 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 802 55.899 -16.408 -44.889 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 802 56.667 -15.585 -45.942 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 803 39.181 -16.113 -49.732 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 803 38.981 -15.159 -49.876 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 803 38.575 -16.571 -50.323 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 804 46.229 -19.901 -50.052 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 804 45.435 -20.179 -49.586 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 804 46.759 -19.440 -49.372 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 805 37.884 -13.108 -44.109 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 805 38.152 -13.859 -44.683 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 805 38.563 -12.440 -44.265 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 806 45.154 -7.470 -50.014 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 806 44.957 -6.511 -50.059 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 806 45.845 -7.605 -50.691 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 807 51.704 -14.567 -50.883 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 807 51.225 -15.396 -50.887 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 807 51.000 -13.880 -50.943 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 808 37.612 -6.616 -51.078 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 808 36.881 -6.028 -51.295 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 808 37.360 -7.002 -50.213 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 809 50.942 -15.114 -46.379 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 809 51.903 -15.183 -46.554 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 809 50.755 -14.170 -46.477 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 810 43.796 -16.715 -46.775 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 810 43.933 -16.121 -47.526 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 810 44.702 -17.023 -46.542 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 811 49.029 -1.671 -49.303 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 811 49.558 -2.211 -48.714 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 811 48.275 -2.245 -49.540 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 812 46.964 -3.541 -49.604 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 812 46.620 -4.368 -49.970 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 812 46.270 -2.880 -49.817 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 813 46.901 -8.230 -52.067 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 813 46.611 -8.073 -52.972 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 813 46.577 -9.144 -51.867 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 814 50.461 -10.448 -49.409 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 814 50.057 -9.706 -49.915 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 814 51.429 -10.271 -49.458 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 815 40.171 -9.058 -53.031 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 815 39.710 -9.908 -53.092 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 815 41.027 -9.283 -52.622 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 816 44.447 -4.850 -50.291 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 816 43.508 -5.068 -50.487 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 816 44.471 -3.870 -50.305 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 817 38.168 -9.621 -50.265 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 817 37.558 -9.122 -49.672 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 817 38.466 -8.957 -50.905 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 818 53.373 -4.325 -38.801 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 818 52.957 -3.646 -38.249 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 818 54.124 -4.650 -38.261 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 819 44.657 -2.139 -49.961 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 819 45.136 -1.270 -49.966 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 819 43.720 -1.887 -49.817 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 820 40.049 0.518 -49.080 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 820 39.442 0.698 -49.803 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 820 39.469 0.203 -48.349 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 821 42.514 -16.384 -44.351 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 821 41.749 -16.977 -44.506 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 821 42.861 -16.204 -45.249 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 822 46.220 -20.946 -40.161 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 822 47.064 -20.467 -40.317 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 822 45.553 -20.421 -40.652 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 823 42.043 -10.441 -51.482 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 823 41.154 -10.858 -51.480 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 823 42.647 -11.172 -51.735 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 824 43.998 -9.900 -49.559 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 824 44.322 -8.973 -49.592 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 824 43.224 -9.906 -50.155 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 825 51.374 -11.949 -47.262 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 825 50.825 -11.380 -47.838 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 825 51.963 -12.419 -47.888 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 826 35.681 -13.915 -49.320 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 826 36.256 -13.859 -48.516 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 826 35.075 -14.637 -49.125 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 827 43.452 -15.343 -51.855 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 827 43.762 -16.040 -52.438 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 827 42.858 -15.806 -51.221 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 828 39.523 -11.516 -51.718 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 828 39.251 -12.408 -51.430 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 828 38.949 -10.913 -51.201 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 829 45.716 -10.630 -51.556 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 829 45.160 -11.342 -51.920 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 829 45.277 -10.397 -50.711 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 830 47.888 -18.711 -48.078 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 830 48.397 -18.183 -47.430 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 830 48.573 -19.032 -48.714 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 831 41.862 -16.802 -50.170 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 831 40.941 -16.500 -50.043 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 831 41.974 -17.513 -49.507 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 832 41.829 -5.515 -50.513 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 832 41.810 -6.346 -50.025 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 832 41.258 -5.692 -51.304 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 833 42.542 -4.349 -46.947 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 833 42.325 -4.421 -47.885 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 833 43.524 -4.251 -46.932 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 834 40.050 -6.396 -52.306 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 834 39.145 -6.395 -51.928 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 834 40.112 -7.255 -52.774 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 835 42.224 -1.147 -49.246 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 835 41.470 -0.517 -49.278 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 835 42.794 -0.800 -48.524 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 836 36.659 -7.912 -48.835 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 836 35.732 -7.744 -49.137 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 836 36.590 -7.896 -47.854 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 837 43.700 -12.626 -51.694 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 837 43.811 -12.663 -50.736 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 837 43.568 -13.568 -51.955 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 838 38.852 -15.246 -45.535 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 838 39.224 -15.886 -46.182 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 838 38.956 -15.697 -44.669 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 839 40.536 -3.309 -49.446 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 839 41.183 -2.592 -49.607 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 839 40.847 -4.044 -50.007 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 840 41.385 -13.625 -40.362 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 840 41.506 -14.378 -40.977 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 840 40.428 -13.407 -40.436 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 841 34.068 -7.416 -49.297 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 841 33.726 -6.563 -48.950 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 841 33.677 -8.090 -48.707 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 842 53.912 -1.916 -45.782 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 842 53.026 -1.489 -45.723 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 842 54.053 -2.294 -44.881 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 843 52.261 -2.880 -40.988 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 843 51.948 -2.281 -40.281 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 843 52.737 -3.580 -40.509 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 844 53.167 -10.363 -49.454 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 844 53.211 -11.346 -49.388 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 844 54.044 -10.071 -49.201 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 845 49.742 -12.688 -50.773 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 845 50.040 -11.935 -50.215 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 845 48.971 -12.347 -51.235 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 846 37.306 -10.504 -39.867 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 846 37.092 -11.281 -39.310 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 846 36.773 -9.783 -39.485 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 847 52.572 -17.148 -38.134 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 847 52.412 -16.333 -38.649 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 847 53.040 -16.831 -37.316 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 848 37.445 -13.752 -47.329 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 848 37.974 -14.285 -46.700 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 848 37.960 -12.925 -47.438 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 849 38.729 -11.453 -48.189 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 849 39.266 -10.942 -47.544 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 849 38.516 -10.800 -48.888 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 850 47.223 1.897 -47.937 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 850 48.083 1.572 -48.303 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 850 47.408 2.035 -46.981 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 851 36.844 -15.006 -42.339 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 851 37.232 -14.280 -42.868 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 851 35.879 -14.870 -42.421 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 852 56.320 -17.638 -40.723 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 852 55.721 -18.151 -40.135 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 852 56.905 -17.165 -40.105 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 853 39.089 -2.719 -44.545 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 853 39.569 -3.382 -44.010 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 853 39.634 -2.630 -45.358 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 854 40.437 -2.568 -46.851 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 854 40.268 -2.796 -47.795 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 854 41.264 -3.046 -46.639 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 855 49.712 -19.558 -49.900 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 855 50.625 -19.662 -50.178 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 855 49.189 -19.876 -50.671 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 856 39.772 -17.182 -47.254 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 856 39.437 -16.773 -48.083 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 856 40.552 -17.704 -47.547 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 857 42.040 -18.499 -47.993 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 857 42.711 -17.996 -47.488 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 857 42.070 -19.403 -47.599 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 858 48.134 -20.411 -51.938 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 858 47.741 -20.697 -52.765 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 858 47.363 -20.248 -51.347 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 859 38.741 -13.022 -40.458 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 859 38.249 -12.438 -41.050 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 859 38.187 -13.072 -39.661 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 860 36.446 -6.840 -26.652 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 860 36.389 -6.190 -25.920 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 860 36.554 -6.285 -27.454 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 861 37.950 -15.206 -30.351 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 861 37.579 -15.646 -31.148 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 861 38.779 -15.703 -30.169 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 862 38.709 -10.960 -22.129 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 862 39.388 -10.774 -22.805 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 862 38.196 -11.710 -22.505 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 863 39.168 -15.217 -27.552 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 863 39.611 -15.799 -28.202 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 863 38.251 -15.542 -27.525 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 864 34.481 -8.994 -40.848 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 864 33.558 -8.670 -40.741 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 864 34.937 -8.685 -40.039 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 865 37.104 -12.390 -18.002 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 865 38.034 -12.740 -18.050 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 865 37.077 -11.692 -18.694 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 866 40.707 -19.993 -19.222 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 866 41.537 -20.223 -19.684 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 866 40.562 -19.055 -19.444 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 867 39.650 -15.080 -20.888 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 867 39.003 -14.992 -21.606 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 867 39.402 -14.384 -20.256 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 868 34.530 -11.843 -32.988 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 868 35.150 -12.605 -32.918 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 868 34.566 -11.595 -33.930 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 869 36.401 -16.229 -25.529 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 869 35.845 -16.987 -25.727 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 869 36.415 -15.719 -26.368 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 870 47.575 -17.000 -28.239 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 870 47.082 -16.334 -27.742 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 870 47.371 -16.806 -29.162 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 871 36.516 -13.801 -33.145 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 871 36.618 -14.750 -32.930 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 871 36.975 -13.700 -34.003 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 872 48.464 -14.828 -31.721 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 872 48.983 -14.129 -31.319 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 872 47.598 -14.789 -31.249 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 873 40.795 -17.160 -19.480 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 873 40.452 -16.466 -20.091 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 873 41.767 -17.132 -19.610 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 874 43.543 -17.650 -19.668 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 874 43.325 -18.592 -19.837 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 874 44.405 -17.525 -20.113 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 875 51.223 -19.536 -22.545 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 875 51.856 -20.101 -23.028 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 875 50.416 -19.549 -23.098 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 876 43.274 -14.337 -15.955 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 876 43.767 -14.965 -16.535 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 876 42.751 -13.783 -16.590 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 877 39.822 -13.851 -11.717 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 877 39.542 -14.521 -12.367 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 877 39.750 -12.999 -12.209 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 878 53.277 -15.577 -6.010 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 878 53.720 -14.816 -5.608 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 878 52.396 -15.230 -6.266 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 879 55.305 -17.401 -4.841 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 879 55.685 -16.595 -5.245 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 879 54.385 -17.160 -4.660 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 880 50.638 -8.644 -5.845 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 880 50.792 -9.569 -5.606 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 880 49.661 -8.588 -5.966 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 881 52.535 -11.516 -7.720 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 881 52.139 -11.474 -8.626 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 881 53.498 -11.588 -7.892 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 882 43.907 -1.170 -7.576 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 882 43.102 -1.313 -7.030 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 882 44.019 -2.007 -8.049 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 883 39.767 -6.225 -5.572 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 883 40.307 -6.072 -4.784 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 883 40.422 -6.215 -6.319 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 884 52.222 -16.337 -19.263 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 884 52.576 -16.883 -20.000 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 884 52.044 -15.483 -19.667 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 885 52.292 -7.493 -7.803 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 885 51.639 -7.880 -7.185 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 885 52.676 -8.260 -8.251 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 886 50.725 -14.799 -6.707 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 886 50.277 -15.582 -6.318 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 886 50.053 -14.096 -6.669 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 887 42.076 -11.955 -14.770 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 887 42.821 -12.573 -14.765 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 887 41.761 -11.975 -15.699 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 888 53.116 2.674 -4.327 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 888 52.332 2.484 -3.763 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 888 52.829 3.402 -4.899 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 889 41.721 -8.714 -6.212 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 889 42.641 -8.617 -5.926 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 889 41.588 -7.964 -6.842 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 890 50.214 -4.745 -4.059 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 890 50.945 -5.386 -4.178 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 890 49.469 -5.136 -4.558 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 891 51.846 -14.784 -1.904 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 891 51.113 -15.068 -2.492 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 891 51.501 -14.939 -1.005 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 892 39.644 -3.079 -4.237 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 892 39.575 -3.098 -5.213 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 892 38.844 -3.531 -3.935 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 893 39.460 -5.877 -2.493 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 893 39.113 -6.509 -1.839 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 893 40.427 -5.977 -2.431 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 894 48.046 -5.732 -5.449 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 894 47.985 -6.658 -5.759 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 894 48.104 -5.205 -6.274 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 895 40.748 -8.767 -2.560 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 895 41.369 -8.031 -2.372 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 895 40.895 -8.965 -3.494 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 896 44.340 -7.715 -5.721 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 896 44.535 -7.578 -6.672 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 896 44.829 -8.550 -5.498 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 897 47.924 -8.628 -6.296 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 897 47.834 -9.016 -7.181 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 897 47.207 -9.063 -5.773 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 898 46.053 -9.733 -2.488 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 898 45.918 -9.748 -3.471 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 898 46.559 -10.555 -2.311 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 899 48.375 -13.726 -5.240 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 899 47.543 -13.209 -5.086 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 899 48.995 -13.059 -5.604 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 900 48.962 -11.210 -0.364 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 900 49.851 -10.910 -0.671 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 900 48.523 -11.536 -1.182 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 901 50.566 -15.591 0.602 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 901 50.694 -15.642 1.565 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 901 50.397 -16.515 0.341 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 902 38.277 -1.512 -11.524 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 902 38.396 -2.449 -11.236 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 902 37.525 -1.206 -11.013 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 903 54.430 -1.353 -10.714 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 903 54.618 -1.820 -9.875 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 903 53.657 -0.802 -10.504 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 904 54.272 -2.382 -8.108 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 904 55.061 -2.596 -7.583 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 904 53.685 -3.149 -7.974 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 905 52.990 -7.027 -10.555 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 905 52.757 -6.243 -11.097 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 905 52.774 -6.763 -9.650 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 906 53.007 -4.836 -7.189 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 906 52.636 -4.738 -6.300 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 906 52.756 -5.747 -7.454 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 907 53.980 -13.555 -3.136 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 907 53.349 -14.123 -2.634 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 907 53.436 -13.187 -3.870 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 908 49.874 -11.995 -6.691 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 908 49.111 -11.706 -7.241 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 908 50.656 -11.686 -7.183 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 909 38.932 -15.585 -13.962 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 909 39.602 -15.491 -14.681 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 909 39.323 -16.252 -13.356 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 910 35.426 -8.116 -3.830 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 910 36.137 -7.513 -3.557 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 910 34.915 -8.264 -3.006 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 911 44.826 -2.248 -3.375 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 911 43.887 -2.497 -3.546 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 911 45.295 -3.108 -3.340 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 912 57.190 -18.949 -6.032 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 912 56.537 -18.452 -5.481 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 912 57.706 -19.452 -5.392 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 913 43.278 4.038 -6.927 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 913 43.220 3.623 -6.041 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 913 42.566 4.699 -6.924 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 914 53.032 -15.109 -12.205 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 914 53.806 -15.189 -12.796 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 914 53.421 -15.056 -11.307 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 915 38.257 -22.843 -15.079 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 915 38.467 -22.442 -15.947 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 915 39.133 -23.004 -14.672 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 916 50.050 -18.389 1.019 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 916 50.187 -17.966 1.894 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 916 49.104 -18.627 1.013 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 917 54.048 0.147 -4.794 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 917 53.798 1.085 -4.650 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 917 53.518 -0.344 -4.137 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 918 43.886 -13.401 0.993 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 918 44.729 -13.862 0.774 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 918 44.034 -12.480 0.682 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 919 42.145 -21.735 7.031 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 919 41.976 -20.990 7.638 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 919 42.037 -21.342 6.139 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 920 47.415 -12.175 -2.379 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 920 47.329 -13.116 -2.178 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 920 47.135 -12.104 -3.329 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 921 51.425 -10.383 -1.139 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 921 51.739 -9.531 -0.835 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 921 52.241 -10.932 -1.196 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 922 44.156 -10.956 -0.226 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 922 44.878 -10.530 0.284 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 922 44.380 -10.766 -1.147 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 923 49.883 -1.312 -1.407 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 923 49.482 -0.487 -1.759 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 923 49.360 -2.027 -1.830 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 924 53.898 -11.546 -1.211 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 924 54.822 -11.442 -0.971 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 924 53.899 -12.289 -1.849 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 925 44.623 -17.254 2.913 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 925 45.402 -16.769 2.572 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 925 44.676 -18.124 2.466 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 926 46.840 -14.439 5.251 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 926 45.873 -14.607 5.240 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 926 46.962 -13.701 4.607 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 927 37.214 -17.898 1.417 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 927 37.503 -16.968 1.482 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 927 37.967 -18.409 1.779 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 928 48.866 -15.026 6.988 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 928 48.160 -14.821 6.338 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 928 48.648 -14.488 7.750 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 929 44.253 -15.275 4.810 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 929 44.367 -15.938 4.099 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 929 43.603 -14.633 4.437 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 930 46.292 -14.424 0.245 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 930 47.085 -13.911 0.503 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 930 46.444 -15.307 0.648 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 931 41.634 -12.633 -0.351 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 931 42.258 -13.049 0.275 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 931 41.949 -11.720 -0.422 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 932 42.526 -13.748 3.390 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 932 42.998 -13.619 2.540 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 932 41.592 -13.836 3.136 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 933 46.938 -16.668 1.588 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 933 47.324 -16.698 2.492 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 933 47.200 -17.526 1.189 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 934 35.006 -14.556 1.000 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 934 35.551 -14.389 0.218 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 934 35.628 -14.930 1.643 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 935 46.613 -9.880 0.322 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 935 46.533 -9.487 -0.562 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 935 47.498 -10.298 0.316 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 936 38.741 -8.055 -0.864 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 936 38.967 -8.432 -0.007 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 936 39.384 -8.473 -1.487 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 937 48.664 -13.436 1.150 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 937 49.368 -14.073 0.913 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 937 48.913 -12.613 0.672 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 938 47.109 -12.592 3.257 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 938 47.748 -12.951 2.604 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 938 46.754 -11.806 2.832 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 939 43.824 -17.629 6.142 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 939 44.725 -17.980 6.037 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 939 43.899 -16.694 5.860 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 940 46.262 -4.728 -3.456 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 940 46.813 -5.129 -4.161 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 940 45.727 -5.477 -3.119 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 941 52.484 -1.108 -2.803 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 941 52.684 -0.518 -2.046 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 941 51.580 -1.422 -2.620 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 942 42.324 -3.088 -3.947 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 942 41.345 -3.116 -3.835 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 942 42.537 -3.936 -4.405 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 943 42.868 -5.332 -5.367 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 943 42.903 -4.964 -6.276 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 943 43.342 -6.180 -5.437 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 944 42.236 -6.449 -2.159 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 944 42.410 -5.656 -1.641 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 944 43.119 -6.705 -2.507 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 945 44.810 -7.139 -3.028 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 945 45.250 -7.952 -2.703 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 945 44.670 -7.308 -3.984 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 946 36.413 -6.711 -1.497 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 946 37.231 -7.138 -1.165 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 946 35.696 -7.302 -1.197 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 947 49.780 -15.544 -3.611 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 947 49.906 -16.243 -4.283 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 947 49.240 -14.870 -4.068 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 948 37.765 -15.221 1.752 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 948 37.776 -14.821 0.860 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 948 38.519 -14.794 2.217 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 949 49.089 -18.889 6.927 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 949 49.081 -19.595 7.576 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 949 48.165 -18.836 6.618 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 950 39.758 -14.359 3.445 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 950 39.642 -13.831 4.243 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 950 39.953 -15.265 3.782 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 951 41.991 -19.027 7.583 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 951 42.535 -18.378 7.084 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 951 41.086 -18.897 7.235 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 952 50.708 -16.847 5.980 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 952 50.213 -16.125 6.419 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 952 50.278 -17.662 6.309 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 953 42.035 -18.336 3.134 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 953 42.837 -17.831 3.383 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 953 42.242 -18.683 2.230 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 954 48.456 -3.037 -2.920 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 954 47.682 -3.633 -2.901 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 954 49.178 -3.595 -3.297 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 955 55.898 4.273 -45.141 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 955 55.939 5.090 -45.643 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 955 56.802 4.174 -44.769 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 956 48.886 5.945 -44.357 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 956 47.936 5.756 -44.515 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 956 48.889 6.492 -43.542 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 957 44.648 2.769 -50.467 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 957 45.252 3.443 -50.107 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 957 43.942 2.697 -49.795 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 958 54.280 6.046 -41.501 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 958 55.025 5.920 -42.097 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 958 54.684 5.999 -40.598 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 959 44.002 2.259 -45.268 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 959 43.305 1.570 -45.194 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 959 44.630 1.892 -45.906 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 960 42.994 2.237 -48.323 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 960 42.056 2.006 -48.358 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 960 43.429 1.421 -48.001 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 961 51.778 1.826 -44.131 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 961 51.161 2.504 -44.485 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 961 52.625 1.996 -44.616 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 962 51.406 8.734 -42.776 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 962 51.864 8.286 -43.495 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 962 51.510 9.690 -42.985 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 963 51.817 6.875 -37.908 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 963 52.035 7.355 -38.745 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 963 52.317 6.034 -37.980 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 964 42.101 0.285 -45.059 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 964 42.014 -0.603 -44.642 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 964 41.357 0.799 -44.682 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 965 49.688 5.347 -40.367 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 965 49.319 6.066 -40.920 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 965 50.517 5.091 -40.837 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 966 43.877 4.483 -43.741 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 966 43.917 3.604 -44.196 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 966 43.345 5.029 -44.334 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 967 44.909 6.365 -38.649 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 967 45.535 5.629 -38.446 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 967 44.545 6.131 -39.525 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 968 42.924 1.264 -41.320 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 968 42.080 0.777 -41.401 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 968 42.649 2.191 -41.187 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 969 49.025 7.515 -42.059 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 969 48.475 8.203 -41.618 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 969 49.865 7.979 -42.268 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 970 46.458 4.276 -48.971 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 970 47.270 4.632 -49.343 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 970 46.727 3.402 -48.594 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 971 50.369 3.874 -45.250 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 971 49.927 4.683 -44.888 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 971 50.757 4.169 -46.081 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 972 44.627 4.747 -46.991 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 972 43.994 4.020 -47.101 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 972 45.200 4.687 -47.784 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 973 41.948 3.790 -40.710 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 973 42.751 4.350 -40.726 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 973 41.814 3.588 -39.753 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 974 39.962 1.500 -43.724 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 974 40.169 1.060 -42.868 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 974 39.141 1.081 -44.013 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 975 51.909 4.638 -41.775 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 975 52.749 5.129 -41.660 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 975 52.104 3.994 -42.466 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 976 46.333 5.028 -44.879 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 976 45.609 4.905 -44.236 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 976 45.873 5.040 -45.750 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 977 45.726 0.332 -49.765 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 977 45.339 1.094 -50.242 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 977 46.266 0.743 -49.063 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 978 50.625 3.174 -38.776 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 978 50.265 3.915 -39.306 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 978 50.952 3.597 -37.968 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 979 38.457 -0.628 -47.138 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 979 39.170 -1.271 -46.940 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 979 37.661 -1.033 -46.765 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 980 44.377 5.087 -41.122 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 980 45.331 4.955 -41.120 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 980 44.113 4.917 -42.057 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 981 46.883 8.397 -38.275 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 981 46.127 7.779 -38.290 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 981 47.661 7.822 -38.128 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 982 47.600 9.440 -40.679 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 982 47.328 9.077 -39.805 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 982 47.399 10.375 -40.616 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 983 49.073 6.688 -38.016 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 983 50.017 6.930 -37.886 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 983 49.085 6.114 -38.812 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 984 41.683 3.092 -38.108 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 984 41.191 3.681 -37.500 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 984 41.412 2.202 -37.836 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 985 40.316 4.138 -36.024 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 985 40.003 3.206 -35.920 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 985 40.246 4.521 -35.114 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 986 52.457 7.835 -40.362 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 986 53.141 7.264 -40.758 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 986 51.982 8.203 -41.130 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 987 39.298 1.194 -39.119 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 987 39.433 1.086 -38.146 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 987 39.204 2.163 -39.237 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 988 53.569 1.995 -39.299 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 988 52.634 1.997 -39.041 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 988 53.564 1.613 -40.200 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 989 37.454 0.655 -41.817 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 989 37.592 0.970 -40.909 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 989 37.889 -0.227 -41.832 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 990 52.963 0.789 -41.885 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 990 52.491 1.181 -42.656 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 990 53.535 0.117 -42.276 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 991 47.825 2.735 -45.388 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 991 47.335 3.537 -45.119 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 991 48.763 2.982 -45.278 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 992 51.586 -0.515 -45.617 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 992 51.586 0.279 -45.041 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 992 50.676 -0.870 -45.534 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 993 54.874 0.208 -47.218 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 993 54.590 -0.519 -46.619 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 993 55.567 -0.189 -47.756 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 994 43.790 -0.192 -47.156 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 994 44.575 -0.647 -46.778 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 994 43.157 -0.145 -46.406 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 995 49.576 1.010 -48.913 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 995 49.331 0.104 -49.203 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 995 50.534 0.945 -48.719 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 996 46.130 7.274 -30.176 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 996 46.831 7.230 -30.857 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 996 45.316 6.981 -30.648 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 997 44.849 8.614 -28.063 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 997 45.332 8.297 -28.857 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 997 44.012 8.976 -28.419 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 998 45.917 10.780 -26.732 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 998 46.187 11.214 -27.566 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 998 45.458 9.971 -27.030 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 999 36.659 4.061 -34.208 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 999 36.880 3.412 -34.917 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 999 37.359 3.936 -33.540 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1000 38.553 3.969 -31.825 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1000 39.219 3.268 -31.687 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1000 38.342 4.283 -30.924 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1001 46.837 5.709 -27.992 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1001 46.718 6.228 -28.816 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1001 47.656 5.200 -28.146 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1002 42.525 4.234 -32.179 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1002 41.952 3.583 -31.727 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1002 42.705 3.820 -33.050 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1003 45.297 8.590 -24.533 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1003 45.533 8.385 -23.595 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1003 46.001 9.188 -24.830 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1004 46.408 12.576 -24.657 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1004 46.967 13.109 -25.226 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1004 46.070 11.871 -25.248 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1005 54.209 10.945 -22.877 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1005 53.578 11.688 -22.775 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1005 53.887 10.471 -23.672 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1006 44.695 7.255 -33.782 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1006 44.412 6.763 -34.582 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1006 45.580 7.596 -34.011 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1007 47.796 5.933 -35.764 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1007 47.529 6.678 -35.179 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1007 48.294 6.368 -36.495 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1008 51.676 7.393 -21.732 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1008 51.440 8.200 -22.255 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1008 51.371 6.639 -22.300 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1009 48.456 7.053 -31.852 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1009 49.043 6.413 -32.310 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1009 49.034 7.452 -31.158 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1010 43.810 6.479 -31.360 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1010 44.028 6.877 -32.238 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1010 43.395 5.616 -31.589 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1011 43.309 11.797 -29.357 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1011 42.580 12.422 -29.380 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1011 42.891 10.949 -29.081 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1012 43.158 10.164 -23.818 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1012 43.710 10.726 -23.231 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1012 43.808 9.574 -24.253 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1013 47.330 8.059 -34.111 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1013 47.688 7.728 -33.253 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1013 47.724 8.932 -34.210 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1014 41.508 9.151 -25.811 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1014 42.028 9.647 -25.143 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1014 40.746 8.827 -25.322 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1015 41.622 12.682 -21.382 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1015 41.702 12.155 -22.186 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1015 40.693 13.013 -21.401 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1016 35.856 5.466 -36.557 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1016 35.959 5.003 -35.706 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1016 36.774 5.601 -36.865 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1017 47.166 13.025 -21.994 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1017 46.780 12.710 -22.845 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1017 46.451 13.555 -21.590 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1018 51.949 11.280 -43.631 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1018 52.675 11.815 -43.292 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1018 51.385 11.908 -44.094 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1019 42.380 2.836 -34.561 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1019 41.689 2.148 -34.407 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1019 41.997 3.399 -35.249 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1020 49.151 3.999 -28.373 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1020 49.212 3.162 -27.896 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1020 49.566 3.807 -29.248 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1021 40.424 0.221 -41.357 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1021 39.907 -0.600 -41.487 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1021 40.105 0.568 -40.488 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1022 40.856 2.088 -31.879 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1022 41.586 1.450 -31.760 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1022 40.457 1.833 -32.752 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1023 37.097 2.471 -36.372 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1023 38.003 2.110 -36.470 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1023 36.757 2.516 -37.288 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1024 40.269 5.191 -33.562 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1024 41.063 5.154 -33.001 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1024 39.548 4.878 -32.978 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1025 42.504 9.277 -21.181 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1025 42.661 9.471 -22.123 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1025 43.391 9.112 -20.822 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1026 51.368 9.771 -23.031 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1026 51.883 9.687 -23.859 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1026 51.375 10.724 -22.844 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1027 44.959 10.803 -21.855 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1027 44.950 11.032 -20.909 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1027 45.403 9.925 -21.883 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1028 42.239 9.478 -28.462 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1028 41.900 9.434 -27.540 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1028 42.025 8.591 -28.837 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1029 38.245 8.029 -22.153 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1029 37.560 8.378 -22.726 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1029 38.392 7.111 -22.483 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1030 49.837 13.631 -21.755 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1030 48.918 13.418 -22.031 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1030 49.729 14.038 -20.870 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1031 50.310 5.583 -33.361 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1031 49.944 4.841 -33.883 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1031 50.769 6.145 -34.033 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1032 56.647 9.679 -23.426 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1032 55.921 10.282 -23.168 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1032 56.301 9.213 -24.217 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1033 47.908 6.888 -22.874 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1033 47.195 7.417 -22.443 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1033 48.644 6.934 -22.256 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1034 45.996 11.392 -29.459 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1034 45.051 11.660 -29.398 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1034 46.070 10.986 -30.325 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1035 46.651 5.432 -24.775 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1035 47.108 5.894 -24.030 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1035 47.372 5.102 -25.323 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1036 51.115 5.794 -27.412 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1036 50.348 5.221 -27.614 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1036 51.498 5.404 -26.584 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1037 38.463 5.566 -37.528 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1037 38.610 4.912 -38.252 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1037 39.105 5.301 -36.840 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1038 43.418 13.126 -19.401 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1038 43.804 12.226 -19.283 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1038 42.718 12.998 -20.084 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1039 48.152 11.725 -19.751 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1039 47.680 11.945 -20.583 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1039 48.847 12.402 -19.690 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1040 39.502 6.508 -17.784 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1040 40.482 6.431 -17.869 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1040 39.270 7.255 -18.382 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1041 44.781 10.791 -19.046 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1041 45.020 10.863 -18.099 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1041 44.867 9.826 -19.243 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1042 52.070 12.693 -22.982 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1042 52.101 13.329 -23.704 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1042 51.294 12.982 -22.443 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1043 38.280 5.506 -23.127 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1043 38.637 4.785 -23.677 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1043 37.462 5.127 -22.738 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1044 43.911 5.924 -36.060 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1044 42.968 5.780 -36.201 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1044 44.244 6.206 -36.936 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1045 46.609 4.488 -37.783 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1045 46.797 3.580 -37.472 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1045 46.975 5.060 -37.076 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1046 51.503 10.729 -17.514 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1046 51.589 10.138 -18.291 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1046 52.319 11.270 -17.540 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1047 52.605 6.487 -29.565 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1047 52.087 6.151 -28.796 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1047 53.517 6.138 -29.406 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1048 53.150 9.696 -25.175 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1048 53.994 9.213 -25.314 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1048 52.604 9.445 -25.952 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1049 51.829 6.932 -35.163 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1049 51.705 7.015 -36.135 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1049 52.785 6.914 -35.050 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1050 50.273 7.915 -30.041 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1050 50.312 8.444 -29.235 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1050 51.101 7.396 -30.027 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1051 42.048 6.906 -29.272 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1051 41.586 6.049 -29.158 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1051 42.641 6.759 -30.038 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1052 53.790 6.667 -23.890 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1052 53.319 7.058 -23.140 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1052 53.146 6.022 -24.269 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1053 49.267 3.723 -35.155 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1053 48.753 4.542 -35.348 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1053 48.735 3.014 -35.554 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1054 40.675 4.557 -28.701 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1054 39.782 4.880 -28.944 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1054 40.514 3.688 -28.321 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1055 53.195 4.487 -37.892 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1055 53.453 3.736 -38.463 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1055 52.900 4.058 -37.056 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1056 39.010 13.338 -21.221 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1056 38.398 14.068 -21.342 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1056 38.585 12.780 -20.529 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1057 43.453 7.876 -11.432 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1057 43.082 8.492 -12.077 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1057 43.216 6.988 -11.782 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1058 44.391 10.887 -13.804 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1058 44.613 11.076 -14.740 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1058 45.227 10.575 -13.422 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1059 39.997 5.441 -13.157 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1059 39.399 5.518 -13.928 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1059 39.679 6.129 -12.536 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1060 39.711 9.818 -11.452 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1060 39.727 8.839 -11.368 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1060 40.612 10.047 -11.775 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1061 46.788 14.132 -12.567 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1061 46.057 14.269 -13.179 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1061 47.200 13.292 -12.869 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1062 45.059 9.682 -8.255 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1062 45.835 9.148 -7.990 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1062 45.348 10.608 -8.101 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1063 39.354 7.136 -11.084 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1063 38.429 7.210 -10.750 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1063 39.862 6.814 -10.309 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1064 42.813 8.196 -8.821 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1064 43.022 8.071 -9.777 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1064 43.610 8.654 -8.466 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1065 42.226 10.634 -12.195 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1065 42.585 10.865 -11.301 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1065 43.000 10.749 -12.800 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1066 37.915 11.854 -19.175 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1066 38.641 11.255 -18.945 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1066 37.184 11.586 -18.582 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1067 51.752 13.043 -7.074 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1067 52.409 13.334 -7.746 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1067 51.400 13.885 -6.711 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1068 54.444 5.404 -11.132 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1068 54.559 5.746 -12.039 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1068 55.288 4.939 -10.945 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1069 46.693 9.436 -12.924 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1069 46.119 8.755 -12.549 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1069 46.924 9.093 -13.823 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1070 42.941 11.093 -9.627 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1070 42.140 10.945 -9.095 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1070 43.638 10.605 -9.154 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1071 41.384 9.077 -6.692 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1071 41.818 8.644 -7.460 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1071 40.804 9.744 -7.099 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1072 47.974 11.783 -13.438 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1072 47.527 10.919 -13.302 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1072 48.580 11.625 -14.198 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1073 53.019 14.483 -18.124 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1073 53.284 13.538 -18.188 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1073 52.916 14.761 -19.036 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1074 56.208 17.674 -3.978 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1074 55.252 17.885 -3.941 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1074 56.545 17.952 -3.122 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1075 46.858 13.303 -5.314 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1075 47.762 13.169 -4.965 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1075 46.953 14.066 -5.933 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1076 44.269 14.009 -16.921 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1076 43.560 14.165 -16.250 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1076 43.778 13.807 -17.749 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1077 54.261 14.339 -12.998 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1077 54.300 14.539 -13.967 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1077 55.176 14.130 -12.763 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1078 46.666 14.679 -18.166 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1078 46.294 14.714 -19.073 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1078 45.874 14.610 -17.588 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1079 52.347 7.388 -17.219 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1079 51.441 7.478 -16.863 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1079 52.365 8.013 -17.978 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1080 45.212 5.627 -3.316 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1080 44.324 5.598 -3.731 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1080 45.030 5.454 -2.364 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1081 40.789 5.201 -6.340 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1081 40.532 4.361 -6.797 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1081 39.999 5.447 -5.838 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1082 40.825 3.931 -10.494 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1082 40.800 4.735 -9.930 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1082 40.241 4.145 -11.240 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1083 42.578 5.343 -12.200 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1083 41.780 5.390 -12.768 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1083 42.349 4.685 -11.527 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1084 47.442 8.601 -7.228 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1084 46.977 8.140 -6.494 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1084 48.373 8.648 -6.927 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1085 40.737 12.573 -13.594 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1085 41.307 11.974 -13.071 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1085 39.861 12.185 -13.525 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1086 47.434 8.910 -15.464 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1086 47.099 9.187 -16.334 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1086 48.331 8.571 -15.655 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1087 42.775 10.530 -3.333 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1087 43.654 10.971 -3.430 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1087 42.235 11.184 -2.878 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1088 46.222 12.104 -7.758 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1088 46.228 12.481 -6.853 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1088 46.303 12.878 -8.336 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1089 55.003 13.988 -5.514 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1089 54.432 13.242 -5.714 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1089 54.429 14.769 -5.632 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1090 54.000 10.513 -14.362 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1090 54.334 10.471 -13.441 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1090 54.105 9.598 -14.699 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1091 42.300 14.356 -15.047 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1091 41.899 15.177 -14.753 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1091 41.790 13.659 -14.579 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1092 42.163 6.395 -18.139 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1092 42.955 5.947 -17.785 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1092 42.517 7.030 -18.777 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1093 46.077 18.950 -5.501 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1093 45.750 18.590 -4.670 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1093 45.443 19.636 -5.730 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1094 35.995 10.786 -17.381 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1094 35.049 10.875 -17.119 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1094 36.413 10.376 -16.610 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1095 48.841 11.422 -7.134 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1095 49.037 10.510 -6.827 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1095 47.896 11.390 -7.400 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1096 49.732 8.641 -17.019 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1096 48.978 8.785 -17.628 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1096 50.241 9.472 -17.069 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1097 51.294 15.668 -6.572 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1097 50.936 16.233 -7.291 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1097 52.213 15.999 -6.443 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1098 41.984 1.205 -6.684 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1098 41.755 0.281 -6.427 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1098 42.215 1.639 -5.834 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1099 54.478 7.938 -15.364 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1099 54.608 7.146 -14.796 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1099 53.735 7.691 -15.955 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1100 45.350 11.538 -16.353 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1100 46.309 11.733 -16.409 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1100 44.920 12.409 -16.494 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1101 47.821 12.367 -17.134 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1101 47.504 13.269 -17.342 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1101 47.934 11.946 -18.015 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1102 45.320 14.609 -20.611 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1102 44.603 14.073 -20.196 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1102 44.851 15.244 -21.162 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1103 40.658 10.574 -19.691 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1103 40.880 11.470 -19.987 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1103 41.334 10.007 -20.130 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1104 38.208 4.296 -18.735 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1104 38.786 5.055 -18.518 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1104 37.447 4.402 -18.138 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1105 33.573 10.451 -16.125 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1105 33.901 9.933 -15.356 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1105 32.617 10.412 -16.044 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1106 49.262 14.356 -19.172 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1106 48.388 14.643 -18.831 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1106 49.875 14.560 -18.454 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1107 54.452 14.547 -15.677 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1107 54.920 13.709 -15.876 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1107 53.905 14.708 -16.472 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1108 45.240 11.616 -3.782 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1108 45.661 12.352 -4.275 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1108 45.901 10.916 -3.798 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1109 47.362 9.227 -18.426 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1109 47.550 9.996 -18.998 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1109 46.636 8.754 -18.892 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1110 49.576 12.743 -4.909 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1110 50.482 12.447 -4.766 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1110 49.313 12.306 -5.752 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1111 43.861 8.843 -5.300 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1111 43.088 8.844 -5.890 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1111 43.597 9.427 -4.567 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1112 48.023 5.520 -3.538 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1112 48.095 6.293 -4.117 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1112 47.076 5.499 -3.284 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1113 52.249 8.933 -19.488 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1113 53.098 9.351 -19.758 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1113 51.940 8.479 -20.300 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1114 46.034 7.258 -5.317 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1114 45.825 6.674 -4.558 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1114 45.247 7.855 -5.379 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1115 45.444 0.444 -5.889 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1115 46.260 0.099 -5.473 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1115 45.104 -0.313 -6.409 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1116 48.519 2.944 -4.245 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1116 48.262 3.867 -4.043 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1116 48.520 2.904 -5.221 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1117 49.993 9.045 -6.443 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1117 50.292 8.275 -5.901 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1117 50.809 9.347 -6.902 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1118 42.540 5.655 -4.156 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1118 42.198 6.500 -3.795 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1118 42.016 5.517 -4.965 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1119 44.146 4.930 -0.889 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1119 43.964 3.967 -0.978 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1119 43.552 5.219 -0.194 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1120 53.756 -3.237 -4.319 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1120 53.473 -2.388 -3.928 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1120 53.332 -3.902 -3.767 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1121 44.282 0.601 -3.361 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1121 44.727 0.683 -4.232 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1121 44.387 -0.342 -3.130 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1122 43.516 2.296 -1.226 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1122 42.829 1.699 -0.919 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1122 44.010 1.772 -1.888 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1123 38.901 8.518 -19.550 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1123 39.559 9.250 -19.564 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1123 38.742 8.321 -20.506 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1124 53.445 14.055 -8.938 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1124 53.030 14.594 -9.646 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1124 54.276 14.538 -8.730 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1125 53.529 18.277 -3.981 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1125 52.832 17.869 -3.409 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1125 53.185 19.155 -4.179 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1126 54.906 10.617 -11.746 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1126 54.165 11.096 -11.324 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1126 55.061 9.853 -11.148 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1127 54.952 5.738 -13.800 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1127 55.533 4.952 -13.689 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1127 54.085 5.353 -14.068 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1128 40.219 10.762 -8.761 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1128 39.662 11.544 -8.683 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1128 39.977 10.381 -9.628 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1129 51.953 5.734 -7.418 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1129 52.756 5.323 -7.027 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1129 52.304 6.284 -8.157 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1130 54.278 4.694 -6.406 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1130 54.856 4.428 -7.152 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1130 54.877 5.182 -5.805 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1131 56.675 -0.016 -5.568 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1131 55.744 -0.093 -5.263 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1131 56.998 0.796 -5.140 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1132 40.842 6.238 -8.964 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1132 41.558 6.913 -8.946 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1132 40.762 5.954 -8.032 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1133 52.618 15.496 -11.118 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1133 53.047 15.029 -11.869 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1133 53.178 16.288 -10.982 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1134 31.205 -1.233 -7.971 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1134 31.570 -1.833 -8.651 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1134 31.721 -1.440 -7.169 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1135 50.237 15.335 -4.065 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1135 50.555 15.559 -4.965 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1135 49.850 14.447 -4.168 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1136 47.275 15.038 -10.033 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1136 46.857 14.702 -10.857 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1136 48.103 15.446 -10.341 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1137 47.267 15.123 -7.321 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1137 47.131 15.081 -8.293 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1137 47.507 16.057 -7.157 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1138 50.202 17.220 -8.541 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1138 49.396 17.407 -8.007 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1138 50.383 18.065 -9.004 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1139 52.300 12.421 -12.739 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1139 52.274 11.893 -13.554 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1139 52.966 13.115 -12.925 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1140 41.642 -1.419 -6.080 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1140 40.947 -1.999 -6.459 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1140 41.892 -1.863 -5.243 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1141 51.419 17.304 -2.590 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1141 50.917 17.326 -1.772 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1141 50.994 16.583 -3.113 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1142 50.875 -0.819 1.059 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1142 50.253 -1.121 1.725 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1142 50.472 -1.103 0.205 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1143 50.678 6.724 -5.206 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1143 51.112 6.301 -5.978 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1143 50.798 6.081 -4.481 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1144 47.108 -0.972 -4.144 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1144 47.731 -1.672 -3.856 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1144 46.229 -1.312 -3.868 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1145 42.956 2.749 -4.539 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1145 42.877 3.536 -3.968 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1145 43.416 2.091 -3.979 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1146 48.786 0.724 -2.802 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1146 48.115 0.147 -3.221 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1146 48.647 1.601 -3.236 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1147 41.272 8.150 -3.951 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1147 41.142 8.421 -4.880 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1147 41.735 8.905 -3.547 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1148 55.251 6.942 -2.820 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1148 54.626 6.187 -2.698 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1148 54.845 7.664 -2.335 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1149 50.720 4.768 -3.146 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1149 49.773 5.026 -3.111 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1149 50.721 3.830 -2.867 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1150 51.218 2.050 -2.479 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1150 51.694 1.613 -1.741 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1150 50.381 1.545 -2.554 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1151 52.570 0.542 -0.576 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1151 53.334 0.811 -0.055 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1151 51.991 0.073 0.072 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1152 47.882 17.835 -7.252 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1152 47.942 18.635 -7.822 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1152 47.309 18.121 -6.507 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1153 53.843 16.467 -6.027 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1153 54.765 16.600 -6.327 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1153 53.734 17.113 -5.298 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1154 48.405 20.097 -8.700 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1154 48.322 21.053 -8.676 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1154 49.188 19.937 -9.267 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1155 50.582 19.402 -10.219 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1155 51.559 19.553 -10.203 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1155 50.365 19.372 -11.158 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1156 49.941 15.537 -10.639 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1156 50.862 15.470 -10.985 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1156 50.009 16.206 -9.921 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1157 49.816 11.564 -15.442 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1157 49.130 11.905 -16.056 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1157 50.550 11.296 -16.030 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1158 54.837 -18.694 -38.718 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1158 55.358 -18.618 -37.892 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1158 53.995 -18.244 -38.512 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1159 59.011 -17.154 -43.987 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1159 59.394 -17.146 -43.104 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1159 58.055 -17.294 -43.833 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1160 58.384 -22.636 -23.903 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1160 57.472 -22.355 -23.745 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1160 58.462 -23.481 -23.411 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1161 55.994 -20.147 -31.036 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1161 55.839 -20.490 -31.922 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1161 55.172 -20.370 -30.545 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1162 60.345 -19.306 -27.164 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1162 60.262 -19.858 -26.343 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1162 61.236 -19.489 -27.479 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1163 60.179 -20.759 -24.920 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1163 60.202 -20.160 -24.143 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1163 59.615 -21.509 -24.628 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1164 60.038 -18.710 -23.042 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1164 59.707 -18.020 -23.650 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1164 59.698 -18.445 -22.178 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1165 63.667 -12.881 -30.816 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1165 64.585 -13.084 -31.019 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1165 63.646 -11.907 -30.748 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1166 57.139 -17.656 -31.207 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1166 56.809 -18.581 -31.174 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1166 56.824 -17.262 -30.357 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1167 53.466 -20.506 -30.018 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1167 52.652 -20.866 -30.430 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1167 53.210 -19.626 -29.725 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1168 58.141 -24.794 -22.178 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1168 57.804 -24.171 -21.495 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1168 58.398 -25.571 -21.680 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1169 59.720 -16.585 -27.285 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1169 59.550 -16.383 -28.235 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1169 60.025 -17.516 -27.292 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1170 59.822 -14.272 -25.780 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1170 59.236 -13.686 -26.276 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1170 59.916 -15.059 -26.357 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1171 56.601 -16.867 -28.683 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1171 56.925 -17.501 -28.016 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1171 56.769 -15.985 -28.277 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1172 57.073 -16.972 -33.919 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1172 57.046 -17.139 -32.952 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1172 56.302 -16.365 -34.080 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1173 59.576 -18.038 -34.214 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1173 58.685 -17.622 -34.181 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1173 59.926 -17.913 -33.327 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1174 55.433 -16.035 -16.304 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1174 56.299 -15.849 -16.717 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1174 55.501 -15.629 -15.410 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1175 57.489 -19.091 -14.777 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1175 57.506 -18.955 -15.751 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1175 56.653 -18.680 -14.496 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1176 64.618 -15.283 -20.125 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1176 63.693 -15.322 -19.787 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1176 64.761 -16.146 -20.518 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1177 53.083 -18.530 -11.787 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1177 53.262 -19.484 -11.645 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1177 53.785 -18.246 -12.412 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1178 55.441 -16.992 -8.467 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1178 56.179 -17.109 -9.109 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1178 55.226 -17.900 -8.185 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1179 58.774 -14.622 -9.223 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1179 59.068 -13.747 -8.891 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1179 58.852 -15.213 -8.448 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1180 57.612 -17.350 -10.109 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1180 57.970 -16.684 -10.732 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1180 57.532 -18.162 -10.653 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1181 57.948 -19.328 -12.011 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1181 57.706 -19.427 -12.955 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1181 58.857 -18.968 -12.038 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1182 54.982 -17.794 -13.808 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1182 54.596 -17.751 -14.694 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1182 55.294 -16.873 -13.637 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1183 57.260 -20.543 -19.571 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1183 57.787 -20.118 -18.877 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1183 56.595 -19.861 -19.814 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1184 55.296 -9.895 -45.259 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1184 56.024 -10.223 -44.712 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1184 55.654 -9.085 -45.672 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1185 53.103 -13.064 -49.097 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1185 53.405 -13.707 -48.418 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1185 52.739 -13.629 -49.817 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1186 61.171 -10.072 -47.904 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1186 61.281 -10.932 -47.436 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1186 61.690 -10.171 -48.705 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1187 58.466 -15.273 -45.903 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1187 58.909 -14.516 -45.480 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1187 58.785 -16.048 -45.396 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1188 60.047 -14.923 -41.791 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1188 60.039 -15.801 -41.355 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1188 59.919 -14.295 -41.058 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1189 57.961 -9.346 -44.141 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1189 58.817 -9.292 -44.625 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1189 57.423 -8.636 -44.539 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1190 61.477 -12.237 -46.285 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1190 61.723 -11.757 -45.473 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1190 60.910 -12.960 -45.968 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1191 56.298 -5.255 -47.064 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1191 56.911 -4.595 -46.731 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1191 55.605 -4.730 -47.520 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1192 54.285 -5.533 -42.654 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1192 54.093 -5.957 -41.789 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1192 54.613 -6.253 -43.200 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1193 58.086 -11.991 -40.435 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1193 57.697 -11.444 -39.718 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1193 58.714 -12.584 -39.971 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1194 53.702 -6.693 -40.221 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1194 53.516 -5.882 -39.710 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1194 53.702 -7.399 -39.555 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1195 54.641 -3.325 -47.999 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1195 54.383 -2.848 -47.178 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1195 53.877 -3.230 -48.576 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1196 56.810 -7.710 -46.065 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1196 57.573 -7.884 -46.630 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1196 56.480 -6.832 -46.373 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1197 59.376 -11.122 -42.607 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1197 58.835 -11.501 -41.867 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1197 58.744 -10.540 -43.090 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1198 59.853 -13.524 -44.208 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1198 59.963 -14.191 -43.495 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1198 59.513 -12.742 -43.747 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1199 60.297 -9.134 -45.478 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1199 60.537 -9.305 -46.416 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1199 60.962 -9.634 -44.969 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1200 61.874 -10.225 -38.329 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1200 61.616 -10.071 -39.267 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1200 62.326 -11.099 -38.348 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1201 53.856 -2.876 -43.238 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1201 53.245 -2.723 -42.490 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1201 54.094 -3.827 -43.157 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1202 56.033 0.287 -33.046 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1202 55.687 0.182 -32.134 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1202 56.369 -0.598 -33.280 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1203 56.454 -3.064 -37.341 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1203 56.031 -3.949 -37.377 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1203 56.252 -2.669 -38.198 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1204 60.293 -8.105 -37.342 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1204 60.722 -8.824 -37.849 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1204 60.832 -8.028 -36.546 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1205 61.226 -9.812 -40.958 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1205 61.576 -9.227 -41.638 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1205 60.484 -10.272 -41.396 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1206 62.537 -14.923 -39.554 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1206 62.656 -15.495 -40.321 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1206 62.180 -15.525 -38.856 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1207 59.957 -17.143 -40.211 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1207 59.067 -17.170 -39.811 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1207 60.556 -17.082 -39.445 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1208 57.817 -16.709 -38.457 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1208 58.296 -16.055 -37.906 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1208 57.252 -17.189 -37.815 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1209 64.378 -9.301 -36.895 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1209 63.699 -9.543 -36.239 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1209 63.938 -9.421 -37.744 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1210 59.132 -15.081 -36.554 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1210 58.522 -14.922 -35.814 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1210 59.674 -14.263 -36.594 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1211 58.437 4.119 -44.132 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1211 58.570 3.708 -43.270 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1211 59.328 4.256 -44.470 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1212 53.637 -12.084 -45.595 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1212 54.181 -11.272 -45.531 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1212 52.815 -11.790 -46.031 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1213 61.774 -10.899 -43.883 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1213 60.916 -11.072 -43.432 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1213 62.423 -11.360 -43.339 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1214 53.670 -14.540 -46.838 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1214 54.411 -15.101 -46.508 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1214 53.740 -13.716 -46.303 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1215 56.329 -17.534 -43.437 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1215 56.306 -17.474 -42.451 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1215 55.905 -18.374 -43.632 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1216 55.503 -5.615 -37.561 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1216 56.416 -5.965 -37.632 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1216 54.947 -6.422 -37.480 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1217 52.158 0.419 -48.135 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1217 51.883 0.063 -47.267 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1217 53.120 0.515 -48.057 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1218 56.232 -17.895 -36.479 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1218 55.406 -17.380 -36.296 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1218 56.738 -17.825 -35.649 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1219 61.199 -16.512 -37.803 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1219 60.521 -15.994 -37.319 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1219 61.152 -17.408 -37.390 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1220 60.923 -5.572 -29.253 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1220 60.786 -5.118 -30.104 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1220 60.424 -5.015 -28.610 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1221 61.158 -8.347 -29.770 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1221 60.264 -8.527 -29.432 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1221 61.273 -7.385 -29.638 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1222 55.553 -13.907 -25.011 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1222 54.682 -13.658 -24.639 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1222 55.833 -13.120 -25.513 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1223 66.041 -10.869 -35.365 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1223 65.730 -10.134 -35.930 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1223 65.500 -10.788 -34.552 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1224 57.115 -4.756 -29.592 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1224 56.944 -4.644 -28.630 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1224 56.811 -5.670 -29.784 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1225 59.384 -4.867 -25.151 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1225 58.590 -4.447 -24.767 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1225 59.070 -5.756 -25.439 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1226 62.089 -4.967 -24.881 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1226 62.217 -5.379 -24.001 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1226 61.110 -4.942 -24.991 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1227 58.680 -13.656 -30.842 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1227 57.902 -13.737 -31.435 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1227 58.433 -12.938 -30.219 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1228 63.170 -12.631 -38.194 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1228 63.105 -13.452 -38.729 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1228 64.120 -12.598 -37.922 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1229 58.604 -9.478 -23.886 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1229 58.519 -10.245 -23.273 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1229 58.251 -9.812 -24.737 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1230 60.160 -13.479 -39.397 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1230 61.040 -13.885 -39.537 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1230 60.165 -13.228 -38.448 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1231 59.327 -16.223 -30.026 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1231 59.141 -15.298 -30.290 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1231 58.656 -16.745 -30.501 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1232 57.986 -13.004 -34.556 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1232 57.586 -12.147 -34.832 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1232 57.352 -13.364 -33.910 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1233 58.664 -8.562 -28.463 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1233 59.011 -7.813 -27.957 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1233 58.201 -9.117 -27.781 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1234 60.518 -12.048 -34.214 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1234 60.747 -12.207 -33.275 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1234 59.594 -12.386 -34.296 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1235 58.109 -11.346 -29.357 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1235 57.583 -11.579 -28.553 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1235 58.627 -10.573 -29.081 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1236 64.103 -10.378 -33.446 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1236 63.743 -10.218 -32.552 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1236 63.357 -10.190 -34.043 1.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1237 64.432 -7.598 -22.282 1.00 0.00 WAT1 ATOM 5753 H1 TIP3 1237 64.783 -6.684 -22.304 1.00 0.00 WAT1 ATOM 5754 H2 TIP3 1237 64.877 -8.006 -21.514 1.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1238 58.384 -7.337 -22.210 1.00 0.00 WAT1 ATOM 5756 H1 TIP3 1238 58.487 -8.096 -22.832 1.00 0.00 WAT1 ATOM 5757 H2 TIP3 1238 58.104 -6.606 -22.774 1.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1239 57.884 -4.780 -33.179 1.00 0.00 WAT1 ATOM 5759 H1 TIP3 1239 57.375 -5.566 -32.943 1.00 0.00 WAT1 ATOM 5760 H2 TIP3 1239 58.013 -4.859 -34.156 1.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1240 62.769 -10.234 -30.970 1.00 0.00 WAT1 ATOM 5762 H1 TIP3 1240 62.363 -9.479 -30.483 1.00 0.00 WAT1 ATOM 5763 H2 TIP3 1240 62.022 -10.840 -31.126 1.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1241 63.087 -5.231 -27.502 1.00 0.00 WAT1 ATOM 5765 H1 TIP3 1241 62.390 -5.400 -28.166 1.00 0.00 WAT1 ATOM 5766 H2 TIP3 1241 62.599 -5.123 -26.664 1.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1242 59.653 -1.352 -31.365 1.00 0.00 WAT1 ATOM 5768 H1 TIP3 1242 59.662 -2.304 -31.116 1.00 0.00 WAT1 ATOM 5769 H2 TIP3 1242 60.498 -1.001 -30.986 1.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1243 58.092 -6.590 -37.992 1.00 0.00 WAT1 ATOM 5771 H1 TIP3 1243 57.884 -6.940 -38.868 1.00 0.00 WAT1 ATOM 5772 H2 TIP3 1243 58.916 -7.073 -37.732 1.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1244 58.127 -4.782 -35.878 1.00 0.00 WAT1 ATOM 5774 H1 TIP3 1244 58.264 -5.433 -36.593 1.00 0.00 WAT1 ATOM 5775 H2 TIP3 1244 57.744 -4.010 -36.330 1.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1245 59.393 -4.054 -31.009 1.00 0.00 WAT1 ATOM 5777 H1 TIP3 1245 59.019 -4.409 -31.840 1.00 0.00 WAT1 ATOM 5778 H2 TIP3 1245 58.709 -4.259 -30.334 1.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1246 65.787 -12.601 -37.445 1.00 0.00 WAT1 ATOM 5780 H1 TIP3 1246 66.681 -12.925 -37.578 1.00 0.00 WAT1 ATOM 5781 H2 TIP3 1246 65.865 -11.993 -36.672 1.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1247 59.765 -13.615 -23.113 1.00 0.00 WAT1 ATOM 5783 H1 TIP3 1247 60.130 -13.717 -24.019 1.00 0.00 WAT1 ATOM 5784 H2 TIP3 1247 58.912 -14.106 -23.150 1.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1248 57.805 -2.019 -33.224 1.00 0.00 WAT1 ATOM 5786 H1 TIP3 1248 58.614 -1.789 -32.712 1.00 0.00 WAT1 ATOM 5787 H2 TIP3 1248 57.779 -3.001 -33.199 1.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1249 58.673 -10.535 -32.026 1.00 0.00 WAT1 ATOM 5789 H1 TIP3 1249 59.582 -10.868 -31.997 1.00 0.00 WAT1 ATOM 5790 H2 TIP3 1249 58.308 -10.770 -31.155 1.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1250 68.866 -5.826 -20.151 1.00 0.00 WAT1 ATOM 5792 H1 TIP3 1250 68.162 -6.047 -19.524 1.00 0.00 WAT1 ATOM 5793 H2 TIP3 1250 68.501 -5.103 -20.672 1.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1251 60.454 -6.767 -20.316 1.00 0.00 WAT1 ATOM 5795 H1 TIP3 1251 59.688 -6.913 -20.904 1.00 0.00 WAT1 ATOM 5796 H2 TIP3 1251 61.147 -6.409 -20.912 1.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1252 58.549 -7.382 -25.662 1.00 0.00 WAT1 ATOM 5798 H1 TIP3 1252 57.897 -7.981 -26.077 1.00 0.00 WAT1 ATOM 5799 H2 TIP3 1252 58.971 -7.936 -24.980 1.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1253 62.144 -10.250 -35.489 1.00 0.00 WAT1 ATOM 5801 H1 TIP3 1253 61.532 -10.832 -34.985 1.00 0.00 WAT1 ATOM 5802 H2 TIP3 1253 61.871 -10.365 -36.418 1.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1254 56.889 -14.507 -27.388 1.00 0.00 WAT1 ATOM 5804 H1 TIP3 1254 56.958 -13.525 -27.402 1.00 0.00 WAT1 ATOM 5805 H2 TIP3 1254 56.430 -14.698 -26.552 1.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1255 62.326 -5.902 -22.207 1.00 0.00 WAT1 ATOM 5807 H1 TIP3 1255 62.828 -6.742 -22.303 1.00 0.00 WAT1 ATOM 5808 H2 TIP3 1255 63.018 -5.239 -22.007 1.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1256 57.401 -14.903 -23.263 1.00 0.00 WAT1 ATOM 5810 H1 TIP3 1256 57.087 -14.853 -22.328 1.00 0.00 WAT1 ATOM 5811 H2 TIP3 1256 56.642 -14.569 -23.793 1.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1257 60.540 -11.573 -18.873 1.00 0.00 WAT1 ATOM 5813 H1 TIP3 1257 61.348 -11.847 -18.387 1.00 0.00 WAT1 ATOM 5814 H2 TIP3 1257 60.409 -12.283 -19.540 1.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1258 58.688 -16.910 -24.656 1.00 0.00 WAT1 ATOM 5816 H1 TIP3 1258 58.337 -16.053 -24.332 1.00 0.00 WAT1 ATOM 5817 H2 TIP3 1258 59.018 -16.707 -25.559 1.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1259 60.020 -13.762 -20.404 1.00 0.00 WAT1 ATOM 5819 H1 TIP3 1259 59.043 -13.710 -20.287 1.00 0.00 WAT1 ATOM 5820 H2 TIP3 1259 60.142 -13.767 -21.380 1.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1260 56.916 -3.772 -24.251 1.00 0.00 WAT1 ATOM 5822 H1 TIP3 1260 57.479 -3.004 -23.987 1.00 0.00 WAT1 ATOM 5823 H2 TIP3 1260 55.997 -3.474 -24.057 1.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1261 64.927 -4.885 -22.142 1.00 0.00 WAT1 ATOM 5825 H1 TIP3 1261 65.614 -4.406 -21.632 1.00 0.00 WAT1 ATOM 5826 H2 TIP3 1261 65.072 -4.596 -23.075 1.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1262 64.959 -4.350 -24.794 1.00 0.00 WAT1 ATOM 5828 H1 TIP3 1262 65.451 -4.323 -25.642 1.00 0.00 WAT1 ATOM 5829 H2 TIP3 1262 64.064 -4.620 -25.049 1.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1263 58.790 -1.974 -23.565 1.00 0.00 WAT1 ATOM 5831 H1 TIP3 1263 59.741 -2.177 -23.677 1.00 0.00 WAT1 ATOM 5832 H2 TIP3 1263 58.746 -0.997 -23.624 1.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1264 59.588 -3.824 -27.675 1.00 0.00 WAT1 ATOM 5834 H1 TIP3 1264 59.127 -2.962 -27.661 1.00 0.00 WAT1 ATOM 5835 H2 TIP3 1264 59.614 -4.095 -26.737 1.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1265 60.976 -12.314 -31.484 1.00 0.00 WAT1 ATOM 5837 H1 TIP3 1265 60.267 -12.923 -31.171 1.00 0.00 WAT1 ATOM 5838 H2 TIP3 1265 61.810 -12.773 -31.240 1.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1266 60.528 -18.835 -36.618 1.00 0.00 WAT1 ATOM 5840 H1 TIP3 1266 59.970 -19.591 -36.808 1.00 0.00 WAT1 ATOM 5841 H2 TIP3 1266 60.241 -18.541 -35.721 1.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1267 60.834 -12.976 -36.773 1.00 0.00 WAT1 ATOM 5843 H1 TIP3 1267 60.860 -12.675 -35.839 1.00 0.00 WAT1 ATOM 5844 H2 TIP3 1267 61.757 -12.861 -37.090 1.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1268 57.632 -17.328 -21.686 1.00 0.00 WAT1 ATOM 5846 H1 TIP3 1268 57.512 -16.497 -21.167 1.00 0.00 WAT1 ATOM 5847 H2 TIP3 1268 57.718 -17.022 -22.601 1.00 0.00 WAT1 ATOM 5848 OH2 TIP3 1269 57.301 -1.028 -35.735 1.00 0.00 WAT1 ATOM 5849 H1 TIP3 1269 57.534 -1.443 -34.880 1.00 0.00 WAT1 ATOM 5850 H2 TIP3 1269 56.962 -1.769 -36.278 1.00 0.00 WAT1 ATOM 5851 OH2 TIP3 1270 57.454 -10.584 -4.331 1.00 0.00 WAT1 ATOM 5852 H1 TIP3 1270 57.199 -11.500 -4.137 1.00 0.00 WAT1 ATOM 5853 H2 TIP3 1270 57.271 -10.484 -5.274 1.00 0.00 WAT1 ATOM 5854 OH2 TIP3 1271 56.169 -2.469 -12.594 1.00 0.00 WAT1 ATOM 5855 H1 TIP3 1271 55.752 -2.239 -13.449 1.00 0.00 WAT1 ATOM 5856 H2 TIP3 1271 55.563 -2.089 -11.922 1.00 0.00 WAT1 ATOM 5857 OH2 TIP3 1272 60.230 -12.124 -12.773 1.00 0.00 WAT1 ATOM 5858 H1 TIP3 1272 60.169 -12.767 -13.508 1.00 0.00 WAT1 ATOM 5859 H2 TIP3 1272 61.083 -11.652 -12.931 1.00 0.00 WAT1 ATOM 5860 OH2 TIP3 1273 59.250 -11.948 -8.833 1.00 0.00 WAT1 ATOM 5861 H1 TIP3 1273 58.691 -11.780 -9.626 1.00 0.00 WAT1 ATOM 5862 H2 TIP3 1273 60.000 -11.352 -8.944 1.00 0.00 WAT1 ATOM 5863 OH2 TIP3 1274 66.367 -6.115 -18.818 1.00 0.00 WAT1 ATOM 5864 H1 TIP3 1274 65.726 -6.120 -18.093 1.00 0.00 WAT1 ATOM 5865 H2 TIP3 1274 66.167 -6.938 -19.318 1.00 0.00 WAT1 ATOM 5866 OH2 TIP3 1275 59.258 -13.690 -14.892 1.00 0.00 WAT1 ATOM 5867 H1 TIP3 1275 58.868 -13.340 -15.722 1.00 0.00 WAT1 ATOM 5868 H2 TIP3 1275 58.492 -13.816 -14.301 1.00 0.00 WAT1 ATOM 5869 OH2 TIP3 1276 62.237 -10.433 -13.397 1.00 0.00 WAT1 ATOM 5870 H1 TIP3 1276 62.095 -10.186 -14.331 1.00 0.00 WAT1 ATOM 5871 H2 TIP3 1276 62.365 -9.579 -12.939 1.00 0.00 WAT1 ATOM 5872 OH2 TIP3 1277 59.187 -10.073 -14.447 1.00 0.00 WAT1 ATOM 5873 H1 TIP3 1277 59.316 -10.688 -13.707 1.00 0.00 WAT1 ATOM 5874 H2 TIP3 1277 59.958 -10.238 -15.030 1.00 0.00 WAT1 ATOM 5875 OH2 TIP3 1278 62.621 -7.934 -12.155 1.00 0.00 WAT1 ATOM 5876 H1 TIP3 1278 62.224 -7.136 -11.737 1.00 0.00 WAT1 ATOM 5877 H2 TIP3 1278 63.493 -8.003 -11.748 1.00 0.00 WAT1 ATOM 5878 OH2 TIP3 1279 58.041 -11.642 -11.325 1.00 0.00 WAT1 ATOM 5879 H1 TIP3 1279 57.519 -12.355 -11.753 1.00 0.00 WAT1 ATOM 5880 H2 TIP3 1279 58.925 -11.712 -11.751 1.00 0.00 WAT1 ATOM 5881 OH2 TIP3 1280 63.606 -8.492 -18.131 1.00 0.00 WAT1 ATOM 5882 H1 TIP3 1280 63.591 -7.721 -17.522 1.00 0.00 WAT1 ATOM 5883 H2 TIP3 1280 62.662 -8.691 -18.283 1.00 0.00 WAT1 ATOM 5884 OH2 TIP3 1281 52.104 -6.602 -4.699 1.00 0.00 WAT1 ATOM 5885 H1 TIP3 1281 51.543 -7.317 -5.075 1.00 0.00 WAT1 ATOM 5886 H2 TIP3 1281 52.911 -7.054 -4.429 1.00 0.00 WAT1 ATOM 5887 OH2 TIP3 1282 59.424 -0.663 -13.215 1.00 0.00 WAT1 ATOM 5888 H1 TIP3 1282 59.363 -0.064 -13.982 1.00 0.00 WAT1 ATOM 5889 H2 TIP3 1282 58.817 -0.263 -12.555 1.00 0.00 WAT1 ATOM 5890 OH2 TIP3 1283 61.739 -3.510 -17.623 1.00 0.00 WAT1 ATOM 5891 H1 TIP3 1283 61.778 -2.608 -17.989 1.00 0.00 WAT1 ATOM 5892 H2 TIP3 1283 62.300 -3.469 -16.823 1.00 0.00 WAT1 ATOM 5893 OH2 TIP3 1284 58.760 -15.511 -11.827 1.00 0.00 WAT1 ATOM 5894 H1 TIP3 1284 58.070 -14.960 -12.276 1.00 0.00 WAT1 ATOM 5895 H2 TIP3 1284 58.948 -15.026 -10.997 1.00 0.00 WAT1 ATOM 5896 OH2 TIP3 1285 62.044 -15.229 -19.220 1.00 0.00 WAT1 ATOM 5897 H1 TIP3 1285 61.392 -14.678 -19.702 1.00 0.00 WAT1 ATOM 5898 H2 TIP3 1285 61.650 -15.340 -18.333 1.00 0.00 WAT1 ATOM 5899 OH2 TIP3 1286 57.201 -11.600 -6.980 1.00 0.00 WAT1 ATOM 5900 H1 TIP3 1286 58.037 -11.816 -7.439 1.00 0.00 WAT1 ATOM 5901 H2 TIP3 1286 57.113 -12.291 -6.294 1.00 0.00 WAT1 ATOM 5902 OH2 TIP3 1287 56.378 -13.194 -4.729 1.00 0.00 WAT1 ATOM 5903 H1 TIP3 1287 56.348 -14.028 -5.245 1.00 0.00 WAT1 ATOM 5904 H2 TIP3 1287 55.654 -13.291 -4.079 1.00 0.00 WAT1 ATOM 5905 OH2 TIP3 1288 58.413 -11.466 -22.039 1.00 0.00 WAT1 ATOM 5906 H1 TIP3 1288 57.968 -11.947 -21.296 1.00 0.00 WAT1 ATOM 5907 H2 TIP3 1288 59.011 -12.136 -22.430 1.00 0.00 WAT1 ATOM 5908 OH2 TIP3 1289 60.237 -17.704 -12.417 1.00 0.00 WAT1 ATOM 5909 H1 TIP3 1289 61.115 -17.419 -12.145 1.00 0.00 WAT1 ATOM 5910 H2 TIP3 1289 59.683 -16.893 -12.329 1.00 0.00 WAT1 ATOM 5911 OH2 TIP3 1290 58.552 -12.908 -17.489 1.00 0.00 WAT1 ATOM 5912 H1 TIP3 1290 59.348 -12.384 -17.716 1.00 0.00 WAT1 ATOM 5913 H2 TIP3 1290 58.022 -12.904 -18.323 1.00 0.00 WAT1 ATOM 5914 OH2 TIP3 1291 57.950 -9.758 -17.639 1.00 0.00 WAT1 ATOM 5915 H1 TIP3 1291 57.851 -10.715 -17.584 1.00 0.00 WAT1 ATOM 5916 H2 TIP3 1291 58.131 -9.589 -18.595 1.00 0.00 WAT1 ATOM 5917 OH2 TIP3 1292 61.369 -10.235 -16.072 1.00 0.00 WAT1 ATOM 5918 H1 TIP3 1292 61.903 -10.987 -16.410 1.00 0.00 WAT1 ATOM 5919 H2 TIP3 1292 61.268 -9.649 -16.850 1.00 0.00 WAT1 ATOM 5920 OH2 TIP3 1293 55.697 -10.280 -11.908 1.00 0.00 WAT1 ATOM 5921 H1 TIP3 1293 55.379 -10.364 -11.000 1.00 0.00 WAT1 ATOM 5922 H2 TIP3 1293 56.629 -10.572 -11.860 1.00 0.00 WAT1 ATOM 5923 OH2 TIP3 1294 65.575 -8.520 -19.928 1.00 0.00 WAT1 ATOM 5924 H1 TIP3 1294 64.814 -8.582 -19.295 1.00 0.00 WAT1 ATOM 5925 H2 TIP3 1294 66.068 -9.334 -19.784 1.00 0.00 WAT1 ATOM 5926 OH2 TIP3 1295 52.465 -12.801 -5.243 1.00 0.00 WAT1 ATOM 5927 H1 TIP3 1295 51.539 -13.075 -5.282 1.00 0.00 WAT1 ATOM 5928 H2 TIP3 1295 52.602 -12.305 -6.076 1.00 0.00 WAT1 ATOM 5929 OH2 TIP3 1296 61.079 -4.632 -13.734 1.00 0.00 WAT1 ATOM 5930 H1 TIP3 1296 61.370 -4.899 -12.836 1.00 0.00 WAT1 ATOM 5931 H2 TIP3 1296 60.224 -4.178 -13.580 1.00 0.00 WAT1 ATOM 5932 OH2 TIP3 1297 61.220 -7.277 -14.439 1.00 0.00 WAT1 ATOM 5933 H1 TIP3 1297 61.247 -6.305 -14.330 1.00 0.00 WAT1 ATOM 5934 H2 TIP3 1297 61.774 -7.614 -13.709 1.00 0.00 WAT1 ATOM 5935 OH2 TIP3 1298 56.333 -15.373 -6.372 1.00 0.00 WAT1 ATOM 5936 H1 TIP3 1298 55.704 -15.657 -7.067 1.00 0.00 WAT1 ATOM 5937 H2 TIP3 1298 57.190 -15.741 -6.668 1.00 0.00 WAT1 ATOM 5938 OH2 TIP3 1299 57.837 -4.031 -7.847 1.00 0.00 WAT1 ATOM 5939 H1 TIP3 1299 58.390 -4.778 -7.592 1.00 0.00 WAT1 ATOM 5940 H2 TIP3 1299 57.025 -4.134 -7.300 1.00 0.00 WAT1 ATOM 5941 OH2 TIP3 1300 60.645 -5.964 -17.685 1.00 0.00 WAT1 ATOM 5942 H1 TIP3 1300 60.616 -6.227 -18.634 1.00 0.00 WAT1 ATOM 5943 H2 TIP3 1300 60.909 -5.013 -17.707 1.00 0.00 WAT1 ATOM 5944 OH2 TIP3 1301 63.371 -6.139 -16.822 1.00 0.00 WAT1 ATOM 5945 H1 TIP3 1301 63.469 -5.392 -16.202 1.00 0.00 WAT1 ATOM 5946 H2 TIP3 1301 62.432 -6.109 -17.081 1.00 0.00 WAT1 ATOM 5947 OH2 TIP3 1302 61.184 -14.900 -16.612 1.00 0.00 WAT1 ATOM 5948 H1 TIP3 1302 61.185 -15.778 -16.211 1.00 0.00 WAT1 ATOM 5949 H2 TIP3 1302 60.596 -14.374 -16.033 1.00 0.00 WAT1 ATOM 5950 OH2 TIP3 1303 60.261 -19.426 -14.570 1.00 0.00 WAT1 ATOM 5951 H1 TIP3 1303 60.343 -18.848 -13.794 1.00 0.00 WAT1 ATOM 5952 H2 TIP3 1303 59.309 -19.425 -14.767 1.00 0.00 WAT1 ATOM 5953 OH2 TIP3 1304 57.793 -15.698 -17.790 1.00 0.00 WAT1 ATOM 5954 H1 TIP3 1304 58.302 -14.901 -17.557 1.00 0.00 WAT1 ATOM 5955 H2 TIP3 1304 57.571 -15.570 -18.736 1.00 0.00 WAT1 ATOM 5956 OH2 TIP3 1305 56.310 -13.788 -10.117 1.00 0.00 WAT1 ATOM 5957 H1 TIP3 1305 57.142 -14.145 -9.742 1.00 0.00 WAT1 ATOM 5958 H2 TIP3 1305 56.450 -13.830 -11.092 1.00 0.00 WAT1 ATOM 5959 OH2 TIP3 1306 55.561 -4.090 -6.311 1.00 0.00 WAT1 ATOM 5960 H1 TIP3 1306 54.806 -4.555 -6.719 1.00 0.00 WAT1 ATOM 5961 H2 TIP3 1306 55.174 -3.663 -5.517 1.00 0.00 WAT1 ATOM 5962 OH2 TIP3 1307 66.667 -3.837 -20.301 1.00 0.00 WAT1 ATOM 5963 H1 TIP3 1307 66.507 -4.639 -19.756 1.00 0.00 WAT1 ATOM 5964 H2 TIP3 1307 66.568 -3.108 -19.684 1.00 0.00 WAT1 ATOM 5965 OH2 TIP3 1308 60.887 -8.883 -18.469 1.00 0.00 WAT1 ATOM 5966 H1 TIP3 1308 60.609 -8.273 -19.185 1.00 0.00 WAT1 ATOM 5967 H2 TIP3 1308 60.598 -9.771 -18.787 1.00 0.00 WAT1 ATOM 5968 OH2 TIP3 1309 64.562 -12.730 -19.162 1.00 0.00 WAT1 ATOM 5969 H1 TIP3 1309 64.460 -12.305 -20.017 1.00 0.00 WAT1 ATOM 5970 H2 TIP3 1309 64.746 -13.670 -19.382 1.00 0.00 WAT1 ATOM 5971 OH2 TIP3 1310 58.482 -9.327 -20.245 1.00 0.00 WAT1 ATOM 5972 H1 TIP3 1310 58.355 -8.589 -20.870 1.00 0.00 WAT1 ATOM 5973 H2 TIP3 1310 58.526 -10.119 -20.817 1.00 0.00 WAT1 ATOM 5974 OH2 TIP3 1311 55.147 -11.652 -8.772 1.00 0.00 WAT1 ATOM 5975 H1 TIP3 1311 55.524 -12.404 -9.272 1.00 0.00 WAT1 ATOM 5976 H2 TIP3 1311 55.836 -11.442 -8.104 1.00 0.00 WAT1 ATOM 5977 OH2 TIP3 1312 58.381 -16.847 -7.506 1.00 0.00 WAT1 ATOM 5978 H1 TIP3 1312 58.099 -17.634 -6.999 1.00 0.00 WAT1 ATOM 5979 H2 TIP3 1312 58.212 -17.094 -8.442 1.00 0.00 WAT1 ATOM 5980 OH2 TIP3 1313 57.778 -1.262 -7.722 1.00 0.00 WAT1 ATOM 5981 H1 TIP3 1313 57.809 -2.242 -7.757 1.00 0.00 WAT1 ATOM 5982 H2 TIP3 1313 57.438 -1.061 -6.822 1.00 0.00 WAT1 ATOM 5983 OH2 TIP3 1314 59.171 -4.668 -10.358 1.00 0.00 WAT1 ATOM 5984 H1 TIP3 1314 58.610 -4.301 -9.653 1.00 0.00 WAT1 ATOM 5985 H2 TIP3 1314 58.931 -4.150 -11.151 1.00 0.00 WAT1 ATOM 5986 OH2 TIP3 1315 59.333 0.079 -9.526 1.00 0.00 WAT1 ATOM 5987 H1 TIP3 1315 58.817 -0.541 -8.962 1.00 0.00 WAT1 ATOM 5988 H2 TIP3 1315 58.766 0.208 -10.320 1.00 0.00 WAT1 ATOM 5989 OH2 TIP3 1316 58.769 -3.292 -12.843 1.00 0.00 WAT1 ATOM 5990 H1 TIP3 1316 57.799 -3.149 -12.731 1.00 0.00 WAT1 ATOM 5991 H2 TIP3 1316 59.124 -2.387 -12.987 1.00 0.00 WAT1 ATOM 5992 OH2 TIP3 1317 61.655 -5.502 -11.182 1.00 0.00 WAT1 ATOM 5993 H1 TIP3 1317 60.754 -5.364 -10.806 1.00 0.00 WAT1 ATOM 5994 H2 TIP3 1317 62.171 -4.730 -10.848 1.00 0.00 WAT1 ATOM 5995 OH2 TIP3 1318 55.618 -18.483 -20.175 1.00 0.00 WAT1 ATOM 5996 H1 TIP3 1318 56.253 -18.056 -20.791 1.00 0.00 WAT1 ATOM 5997 H2 TIP3 1318 54.742 -18.217 -20.513 1.00 0.00 WAT1 ATOM 5998 OH2 TIP3 1319 57.319 -18.433 -17.481 1.00 0.00 WAT1 ATOM 5999 H1 TIP3 1319 57.629 -17.506 -17.547 1.00 0.00 WAT1 ATOM 6000 H2 TIP3 1319 56.491 -18.442 -17.985 1.00 0.00 WAT1 ATOM 6001 OH2 TIP3 1320 62.561 -12.431 -17.314 1.00 0.00 WAT1 ATOM 6002 H1 TIP3 1320 62.352 -13.364 -17.117 1.00 0.00 WAT1 ATOM 6003 H2 TIP3 1320 63.398 -12.476 -17.836 1.00 0.00 WAT1 ATOM 6004 OH2 TIP3 1321 61.519 -0.720 -15.977 1.00 0.00 WAT1 ATOM 6005 H1 TIP3 1321 60.625 -0.432 -15.742 1.00 0.00 WAT1 ATOM 6006 H2 TIP3 1321 61.516 -0.740 -16.958 1.00 0.00 WAT1 ATOM 6007 OH2 TIP3 1322 55.272 5.873 -39.002 1.00 0.00 WAT1 ATOM 6008 H1 TIP3 1322 55.982 5.682 -38.354 1.00 0.00 WAT1 ATOM 6009 H2 TIP3 1322 54.468 5.508 -38.581 1.00 0.00 WAT1 ATOM 6010 OH2 TIP3 1323 54.088 2.205 -45.435 1.00 0.00 WAT1 ATOM 6011 H1 TIP3 1323 54.476 1.612 -46.110 1.00 0.00 WAT1 ATOM 6012 H2 TIP3 1323 54.748 2.924 -45.336 1.00 0.00 WAT1 ATOM 6013 OH2 TIP3 1324 56.672 4.733 -36.939 1.00 0.00 WAT1 ATOM 6014 H1 TIP3 1324 56.021 4.004 -36.918 1.00 0.00 WAT1 ATOM 6015 H2 TIP3 1324 57.436 4.377 -36.481 1.00 0.00 WAT1 ATOM 6016 OH2 TIP3 1325 55.210 2.354 -36.981 1.00 0.00 WAT1 ATOM 6017 H1 TIP3 1325 54.825 2.048 -37.827 1.00 0.00 WAT1 ATOM 6018 H2 TIP3 1325 56.097 1.930 -36.949 1.00 0.00 WAT1 ATOM 6019 OH2 TIP3 1326 56.578 5.476 -26.654 1.00 0.00 WAT1 ATOM 6020 H1 TIP3 1326 55.966 4.939 -26.106 1.00 0.00 WAT1 ATOM 6021 H2 TIP3 1326 57.269 5.777 -26.015 1.00 0.00 WAT1 ATOM 6022 OH2 TIP3 1327 52.526 4.929 -31.865 1.00 0.00 WAT1 ATOM 6023 H1 TIP3 1327 52.598 5.604 -31.159 1.00 0.00 WAT1 ATOM 6024 H2 TIP3 1327 51.793 5.249 -32.430 1.00 0.00 WAT1 ATOM 6025 OH2 TIP3 1328 54.859 5.212 -28.805 1.00 0.00 WAT1 ATOM 6026 H1 TIP3 1328 55.511 5.397 -28.097 1.00 0.00 WAT1 ATOM 6027 H2 TIP3 1328 54.926 4.250 -28.945 1.00 0.00 WAT1 ATOM 6028 OH2 TIP3 1329 57.434 3.497 -30.696 1.00 0.00 WAT1 ATOM 6029 H1 TIP3 1329 56.606 3.622 -31.196 1.00 0.00 WAT1 ATOM 6030 H2 TIP3 1329 57.810 2.664 -31.056 1.00 0.00 WAT1 ATOM 6031 OH2 TIP3 1330 55.891 2.169 -26.844 1.00 0.00 WAT1 ATOM 6032 H1 TIP3 1330 55.399 2.314 -27.681 1.00 0.00 WAT1 ATOM 6033 H2 TIP3 1330 55.463 2.782 -26.204 1.00 0.00 WAT1 ATOM 6034 OH2 TIP3 1331 56.670 -0.108 -25.375 1.00 0.00 WAT1 ATOM 6035 H1 TIP3 1331 56.569 0.745 -25.842 1.00 0.00 WAT1 ATOM 6036 H2 TIP3 1331 55.870 -0.173 -24.827 1.00 0.00 WAT1 ATOM 6037 OH2 TIP3 1332 57.949 0.940 -28.350 1.00 0.00 WAT1 ATOM 6038 H1 TIP3 1332 57.341 1.538 -27.867 1.00 0.00 WAT1 ATOM 6039 H2 TIP3 1332 57.999 1.322 -29.241 1.00 0.00 WAT1 ATOM 6040 OH2 TIP3 1333 56.584 -4.044 -26.991 1.00 0.00 WAT1 ATOM 6041 H1 TIP3 1333 56.641 -4.134 -26.021 1.00 0.00 WAT1 ATOM 6042 H2 TIP3 1333 57.039 -3.195 -27.178 1.00 0.00 WAT1 ATOM 6043 OH2 TIP3 1334 58.204 6.265 -24.610 1.00 0.00 WAT1 ATOM 6044 H1 TIP3 1334 58.549 7.072 -24.175 1.00 0.00 WAT1 ATOM 6045 H2 TIP3 1334 58.361 5.558 -23.954 1.00 0.00 WAT1 ATOM 6046 OH2 TIP3 1335 55.453 8.170 -25.393 1.00 0.00 WAT1 ATOM 6047 H1 TIP3 1335 55.939 7.629 -26.034 1.00 0.00 WAT1 ATOM 6048 H2 TIP3 1335 54.947 7.510 -24.858 1.00 0.00 WAT1 ATOM 6049 OH2 TIP3 1336 57.872 -1.632 -27.316 1.00 0.00 WAT1 ATOM 6050 H1 TIP3 1336 57.562 -1.182 -26.496 1.00 0.00 WAT1 ATOM 6051 H2 TIP3 1336 57.951 -0.904 -27.965 1.00 0.00 WAT1 ATOM 6052 OH2 TIP3 1337 65.660 -4.390 -27.473 1.00 0.00 WAT1 ATOM 6053 H1 TIP3 1337 64.748 -4.758 -27.549 1.00 0.00 WAT1 ATOM 6054 H2 TIP3 1337 65.809 -3.959 -28.316 1.00 0.00 WAT1 ATOM 6055 OH2 TIP3 1338 58.461 4.306 -28.244 1.00 0.00 WAT1 ATOM 6056 H1 TIP3 1338 58.083 4.139 -29.132 1.00 0.00 WAT1 ATOM 6057 H2 TIP3 1338 57.730 4.727 -27.747 1.00 0.00 WAT1 ATOM 6058 OH2 TIP3 1339 58.716 4.525 -22.525 1.00 0.00 WAT1 ATOM 6059 H1 TIP3 1339 58.446 5.196 -21.869 1.00 0.00 WAT1 ATOM 6060 H2 TIP3 1339 58.137 3.749 -22.324 1.00 0.00 WAT1 ATOM 6061 OH2 TIP3 1340 51.922 3.186 -35.878 1.00 0.00 WAT1 ATOM 6062 H1 TIP3 1340 51.048 3.345 -35.471 1.00 0.00 WAT1 ATOM 6063 H2 TIP3 1340 52.463 2.821 -35.155 1.00 0.00 WAT1 ATOM 6064 OH2 TIP3 1341 61.789 2.111 -29.479 1.00 0.00 WAT1 ATOM 6065 H1 TIP3 1341 61.501 2.755 -30.131 1.00 0.00 WAT1 ATOM 6066 H2 TIP3 1341 61.565 2.524 -28.619 1.00 0.00 WAT1 ATOM 6067 OH2 TIP3 1342 54.876 2.418 -29.415 1.00 0.00 WAT1 ATOM 6068 H1 TIP3 1342 54.813 2.848 -30.297 1.00 0.00 WAT1 ATOM 6069 H2 TIP3 1342 55.039 1.477 -29.626 1.00 0.00 WAT1 ATOM 6070 OH2 TIP3 1343 58.930 8.342 -22.888 1.00 0.00 WAT1 ATOM 6071 H1 TIP3 1343 58.188 8.947 -23.116 1.00 0.00 WAT1 ATOM 6072 H2 TIP3 1343 59.314 8.726 -22.096 1.00 0.00 WAT1 ATOM 6073 OH2 TIP3 1344 58.294 1.073 -31.590 1.00 0.00 WAT1 ATOM 6074 H1 TIP3 1344 58.854 0.272 -31.521 1.00 0.00 WAT1 ATOM 6075 H2 TIP3 1344 57.641 0.852 -32.280 1.00 0.00 WAT1 ATOM 6076 OH2 TIP3 1345 60.740 3.269 -27.197 1.00 0.00 WAT1 ATOM 6077 H1 TIP3 1345 59.955 3.743 -27.568 1.00 0.00 WAT1 ATOM 6078 H2 TIP3 1345 60.643 3.374 -26.226 1.00 0.00 WAT1 ATOM 6079 OH2 TIP3 1346 56.170 8.013 -21.026 1.00 0.00 WAT1 ATOM 6080 H1 TIP3 1346 56.666 7.212 -20.761 1.00 0.00 WAT1 ATOM 6081 H2 TIP3 1346 56.474 8.193 -21.929 1.00 0.00 WAT1 ATOM 6082 OH2 TIP3 1347 57.759 1.557 -36.373 1.00 0.00 WAT1 ATOM 6083 H1 TIP3 1347 58.510 1.770 -35.814 1.00 0.00 WAT1 ATOM 6084 H2 TIP3 1347 57.568 0.609 -36.169 1.00 0.00 WAT1 ATOM 6085 OH2 TIP3 1348 54.608 10.095 -20.236 1.00 0.00 WAT1 ATOM 6086 H1 TIP3 1348 55.223 9.334 -20.376 1.00 0.00 WAT1 ATOM 6087 H2 TIP3 1348 54.483 10.466 -21.136 1.00 0.00 WAT1 ATOM 6088 OH2 TIP3 1349 57.851 5.959 -20.064 1.00 0.00 WAT1 ATOM 6089 H1 TIP3 1349 58.082 6.338 -19.195 1.00 0.00 WAT1 ATOM 6090 H2 TIP3 1349 57.975 4.991 -19.941 1.00 0.00 WAT1 ATOM 6091 OH2 TIP3 1350 61.769 0.012 -24.768 1.00 0.00 WAT1 ATOM 6092 H1 TIP3 1350 61.198 0.207 -25.547 1.00 0.00 WAT1 ATOM 6093 H2 TIP3 1350 61.377 0.535 -24.053 1.00 0.00 WAT1 ATOM 6094 OH2 TIP3 1351 60.141 3.069 -24.470 1.00 0.00 WAT1 ATOM 6095 H1 TIP3 1351 59.635 3.689 -23.909 1.00 0.00 WAT1 ATOM 6096 H2 TIP3 1351 59.788 2.187 -24.227 1.00 0.00 WAT1 ATOM 6097 OH2 TIP3 1352 60.316 0.581 -26.951 1.00 0.00 WAT1 ATOM 6098 H1 TIP3 1352 60.569 1.520 -27.079 1.00 0.00 WAT1 ATOM 6099 H2 TIP3 1352 59.432 0.518 -27.369 1.00 0.00 WAT1 ATOM 6100 OH2 TIP3 1353 58.600 3.378 -19.688 1.00 0.00 WAT1 ATOM 6101 H1 TIP3 1353 58.230 2.816 -20.413 1.00 0.00 WAT1 ATOM 6102 H2 TIP3 1353 58.956 2.725 -19.036 1.00 0.00 WAT1 ATOM 6103 OH2 TIP3 1354 62.419 -1.130 -27.470 1.00 0.00 WAT1 ATOM 6104 H1 TIP3 1354 61.592 -0.617 -27.368 1.00 0.00 WAT1 ATOM 6105 H2 TIP3 1354 62.883 -0.996 -26.637 1.00 0.00 WAT1 ATOM 6106 OH2 TIP3 1355 61.311 3.458 -21.785 1.00 0.00 WAT1 ATOM 6107 H1 TIP3 1355 61.469 3.348 -22.733 1.00 0.00 WAT1 ATOM 6108 H2 TIP3 1355 60.409 3.816 -21.737 1.00 0.00 WAT1 ATOM 6109 OH2 TIP3 1356 61.535 -2.485 -23.786 1.00 0.00 WAT1 ATOM 6110 H1 TIP3 1356 61.897 -3.233 -24.299 1.00 0.00 WAT1 ATOM 6111 H2 TIP3 1356 61.785 -1.689 -24.309 1.00 0.00 WAT1 ATOM 6112 OH2 TIP3 1357 61.082 -0.804 -21.664 1.00 0.00 WAT1 ATOM 6113 H1 TIP3 1357 61.450 -1.392 -22.356 1.00 0.00 WAT1 ATOM 6114 H2 TIP3 1357 60.451 -1.374 -21.179 1.00 0.00 WAT1 ATOM 6115 OH2 TIP3 1358 51.984 8.439 -27.375 1.00 0.00 WAT1 ATOM 6116 H1 TIP3 1358 52.551 8.206 -28.123 1.00 0.00 WAT1 ATOM 6117 H2 TIP3 1358 51.527 7.602 -27.153 1.00 0.00 WAT1 ATOM 6118 OH2 TIP3 1359 54.791 3.994 -25.126 1.00 0.00 WAT1 ATOM 6119 H1 TIP3 1359 55.052 4.090 -24.196 1.00 0.00 WAT1 ATOM 6120 H2 TIP3 1359 53.828 4.218 -25.131 1.00 0.00 WAT1 ATOM 6121 OH2 TIP3 1360 54.834 3.409 -31.973 1.00 0.00 WAT1 ATOM 6122 H1 TIP3 1360 54.075 4.032 -31.945 1.00 0.00 WAT1 ATOM 6123 H2 TIP3 1360 54.722 2.940 -32.827 1.00 0.00 WAT1 ATOM 6124 OH2 TIP3 1361 61.904 -0.550 -30.113 1.00 0.00 WAT1 ATOM 6125 H1 TIP3 1361 62.216 -0.959 -29.279 1.00 0.00 WAT1 ATOM 6126 H2 TIP3 1361 61.926 0.414 -29.928 1.00 0.00 WAT1 ATOM 6127 OH2 TIP3 1362 54.336 2.071 -34.372 1.00 0.00 WAT1 ATOM 6128 H1 TIP3 1362 54.932 1.368 -34.035 1.00 0.00 WAT1 ATOM 6129 H2 TIP3 1362 54.621 2.200 -35.304 1.00 0.00 WAT1 ATOM 6130 OH2 TIP3 1363 59.664 13.877 -9.957 1.00 0.00 WAT1 ATOM 6131 H1 TIP3 1363 60.260 13.600 -9.258 1.00 0.00 WAT1 ATOM 6132 H2 TIP3 1363 59.844 13.251 -10.692 1.00 0.00 WAT1 ATOM 6133 OH2 TIP3 1364 54.999 9.014 -9.544 1.00 0.00 WAT1 ATOM 6134 H1 TIP3 1364 55.857 8.525 -9.632 1.00 0.00 WAT1 ATOM 6135 H2 TIP3 1364 55.128 9.578 -8.773 1.00 0.00 WAT1 ATOM 6136 OH2 TIP3 1365 56.754 3.995 -10.843 1.00 0.00 WAT1 ATOM 6137 H1 TIP3 1365 56.645 3.634 -11.759 1.00 0.00 WAT1 ATOM 6138 H2 TIP3 1365 57.695 3.822 -10.630 1.00 0.00 WAT1 ATOM 6139 OH2 TIP3 1366 60.138 9.423 -12.215 1.00 0.00 WAT1 ATOM 6140 H1 TIP3 1366 59.915 8.625 -11.686 1.00 0.00 WAT1 ATOM 6141 H2 TIP3 1366 60.676 9.083 -12.937 1.00 0.00 WAT1 ATOM 6142 OH2 TIP3 1367 59.378 3.721 -9.906 1.00 0.00 WAT1 ATOM 6143 H1 TIP3 1367 60.030 3.034 -9.649 1.00 0.00 WAT1 ATOM 6144 H2 TIP3 1367 59.630 4.500 -9.366 1.00 0.00 WAT1 ATOM 6145 OH2 TIP3 1368 57.652 0.609 -11.592 1.00 0.00 WAT1 ATOM 6146 H1 TIP3 1368 57.775 1.380 -12.205 1.00 0.00 WAT1 ATOM 6147 H2 TIP3 1368 56.721 0.370 -11.694 1.00 0.00 WAT1 ATOM 6148 OH2 TIP3 1369 57.232 8.260 -15.489 1.00 0.00 WAT1 ATOM 6149 H1 TIP3 1369 57.393 7.743 -14.687 1.00 0.00 WAT1 ATOM 6150 H2 TIP3 1369 56.254 8.249 -15.589 1.00 0.00 WAT1 ATOM 6151 OH2 TIP3 1370 61.890 -1.095 -12.043 1.00 0.00 WAT1 ATOM 6152 H1 TIP3 1370 62.383 -0.677 -12.782 1.00 0.00 WAT1 ATOM 6153 H2 TIP3 1370 60.953 -1.045 -12.327 1.00 0.00 WAT1 ATOM 6154 OH2 TIP3 1371 56.983 12.259 -12.599 1.00 0.00 WAT1 ATOM 6155 H1 TIP3 1371 57.200 11.885 -13.483 1.00 0.00 WAT1 ATOM 6156 H2 TIP3 1371 56.285 11.658 -12.254 1.00 0.00 WAT1 ATOM 6157 OH2 TIP3 1372 57.316 7.688 -9.649 1.00 0.00 WAT1 ATOM 6158 H1 TIP3 1372 57.483 7.150 -8.849 1.00 0.00 WAT1 ATOM 6159 H2 TIP3 1372 58.085 7.506 -10.224 1.00 0.00 WAT1 ATOM 6160 OH2 TIP3 1373 60.351 11.877 -14.685 1.00 0.00 WAT1 ATOM 6161 H1 TIP3 1373 61.087 12.448 -14.914 1.00 0.00 WAT1 ATOM 6162 H2 TIP3 1373 60.229 12.014 -13.723 1.00 0.00 WAT1 ATOM 6163 OH2 TIP3 1374 51.766 10.457 -7.972 1.00 0.00 WAT1 ATOM 6164 H1 TIP3 1374 52.240 10.642 -8.810 1.00 0.00 WAT1 ATOM 6165 H2 TIP3 1374 51.774 11.316 -7.500 1.00 0.00 WAT1 ATOM 6166 OH2 TIP3 1375 52.879 11.694 -10.195 1.00 0.00 WAT1 ATOM 6167 H1 TIP3 1375 53.124 12.528 -9.742 1.00 0.00 WAT1 ATOM 6168 H2 TIP3 1375 52.479 11.990 -11.047 1.00 0.00 WAT1 ATOM 6169 OH2 TIP3 1376 62.721 -3.119 -10.390 1.00 0.00 WAT1 ATOM 6170 H1 TIP3 1376 62.383 -2.457 -11.033 1.00 0.00 WAT1 ATOM 6171 H2 TIP3 1376 63.036 -2.590 -9.653 1.00 0.00 WAT1 ATOM 6172 OH2 TIP3 1377 61.377 -0.924 -18.696 1.00 0.00 WAT1 ATOM 6173 H1 TIP3 1377 61.734 -0.351 -19.395 1.00 0.00 WAT1 ATOM 6174 H2 TIP3 1377 60.664 -1.426 -19.145 1.00 0.00 WAT1 ATOM 6175 OH2 TIP3 1378 60.158 5.911 -8.500 1.00 0.00 WAT1 ATOM 6176 H1 TIP3 1378 60.732 5.362 -7.915 1.00 0.00 WAT1 ATOM 6177 H2 TIP3 1378 59.360 6.086 -7.956 1.00 0.00 WAT1 ATOM 6178 OH2 TIP3 1379 59.524 4.654 -12.445 1.00 0.00 WAT1 ATOM 6179 H1 TIP3 1379 59.022 3.931 -12.893 1.00 0.00 WAT1 ATOM 6180 H2 TIP3 1379 59.666 4.311 -11.539 1.00 0.00 WAT1 ATOM 6181 OH2 TIP3 1380 57.616 6.080 -7.430 1.00 0.00 WAT1 ATOM 6182 H1 TIP3 1380 57.248 6.204 -6.528 1.00 0.00 WAT1 ATOM 6183 H2 TIP3 1380 57.142 5.295 -7.771 1.00 0.00 WAT1 ATOM 6184 OH2 TIP3 1381 59.405 0.746 -23.185 1.00 0.00 WAT1 ATOM 6185 H1 TIP3 1381 58.686 1.205 -22.676 1.00 0.00 WAT1 ATOM 6186 H2 TIP3 1381 59.981 0.362 -22.489 1.00 0.00 WAT1 ATOM 6187 OH2 TIP3 1382 62.838 1.320 -11.076 1.00 0.00 WAT1 ATOM 6188 H1 TIP3 1382 62.415 0.449 -11.194 1.00 0.00 WAT1 ATOM 6189 H2 TIP3 1382 63.234 1.507 -11.939 1.00 0.00 WAT1 ATOM 6190 OH2 TIP3 1383 59.784 5.555 -15.055 1.00 0.00 WAT1 ATOM 6191 H1 TIP3 1383 60.512 4.995 -15.397 1.00 0.00 WAT1 ATOM 6192 H2 TIP3 1383 59.768 5.363 -14.094 1.00 0.00 WAT1 ATOM 6193 OH2 TIP3 1384 59.839 1.951 -17.771 1.00 0.00 WAT1 ATOM 6194 H1 TIP3 1384 59.602 1.552 -16.916 1.00 0.00 WAT1 ATOM 6195 H2 TIP3 1384 60.805 1.924 -17.790 1.00 0.00 WAT1 ATOM 6196 OH2 TIP3 1385 59.689 12.057 -12.000 1.00 0.00 WAT1 ATOM 6197 H1 TIP3 1385 58.718 12.104 -12.122 1.00 0.00 WAT1 ATOM 6198 H2 TIP3 1385 59.881 11.088 -11.962 1.00 0.00 WAT1 ATOM 6199 OH2 TIP3 1386 59.676 7.030 -10.970 1.00 0.00 WAT1 ATOM 6200 H1 TIP3 1386 59.600 6.243 -11.549 1.00 0.00 WAT1 ATOM 6201 H2 TIP3 1386 60.051 6.677 -10.132 1.00 0.00 WAT1 ATOM 6202 OH2 TIP3 1387 53.077 7.033 -9.499 1.00 0.00 WAT1 ATOM 6203 H1 TIP3 1387 53.669 7.814 -9.493 1.00 0.00 WAT1 ATOM 6204 H2 TIP3 1387 53.540 6.388 -10.080 1.00 0.00 WAT1 ATOM 6205 OH2 TIP3 1388 60.501 4.970 -18.518 1.00 0.00 WAT1 ATOM 6206 H1 TIP3 1388 59.885 4.409 -19.037 1.00 0.00 WAT1 ATOM 6207 H2 TIP3 1388 59.946 5.715 -18.219 1.00 0.00 WAT1 ATOM 6208 OH2 TIP3 1389 56.166 3.824 -8.190 1.00 0.00 WAT1 ATOM 6209 H1 TIP3 1389 56.173 3.957 -9.166 1.00 0.00 WAT1 ATOM 6210 H2 TIP3 1389 56.741 3.036 -8.056 1.00 0.00 WAT1 ATOM 6211 OH2 TIP3 1390 56.617 16.159 -6.251 1.00 0.00 WAT1 ATOM 6212 H1 TIP3 1390 56.736 16.738 -5.465 1.00 0.00 WAT1 ATOM 6213 H2 TIP3 1390 56.435 15.277 -5.871 1.00 0.00 WAT1 ATOM 6214 OH2 TIP3 1391 58.544 6.546 -17.313 1.00 0.00 WAT1 ATOM 6215 H1 TIP3 1391 58.044 7.307 -16.960 1.00 0.00 WAT1 ATOM 6216 H2 TIP3 1391 58.945 6.136 -16.511 1.00 0.00 WAT1 ATOM 6217 OH2 TIP3 1392 61.615 3.898 -16.277 1.00 0.00 WAT1 ATOM 6218 H1 TIP3 1392 61.190 4.235 -17.100 1.00 0.00 WAT1 ATOM 6219 H2 TIP3 1392 62.506 3.647 -16.558 1.00 0.00 WAT1 ATOM 6220 OH2 TIP3 1393 63.159 -3.792 -15.278 1.00 0.00 WAT1 ATOM 6221 H1 TIP3 1393 63.460 -2.961 -14.892 1.00 0.00 WAT1 ATOM 6222 H2 TIP3 1393 62.394 -4.056 -14.714 1.00 0.00 WAT1 ATOM 6223 OH2 TIP3 1394 55.520 12.035 -16.000 1.00 0.00 WAT1 ATOM 6224 H1 TIP3 1394 54.933 11.528 -15.391 1.00 0.00 WAT1 ATOM 6225 H2 TIP3 1394 56.425 11.755 -15.744 1.00 0.00 WAT1 ATOM 6226 OH2 TIP3 1395 56.417 5.791 -4.977 1.00 0.00 WAT1 ATOM 6227 H1 TIP3 1395 56.954 5.142 -4.499 1.00 0.00 WAT1 ATOM 6228 H2 TIP3 1395 56.038 6.361 -4.264 1.00 0.00 WAT1 ATOM 6229 OH2 TIP3 1396 62.473 3.235 -19.265 1.00 0.00 WAT1 ATOM 6230 H1 TIP3 1396 62.302 3.103 -20.219 1.00 0.00 WAT1 ATOM 6231 H2 TIP3 1396 61.944 4.023 -19.042 1.00 0.00 WAT1 ATOM 6232 OH2 TIP3 1397 61.228 1.897 -8.955 1.00 0.00 WAT1 ATOM 6233 H1 TIP3 1397 60.645 1.111 -9.080 1.00 0.00 WAT1 ATOM 6234 H2 TIP3 1397 61.931 1.783 -9.637 1.00 0.00 WAT1 ATOM 6235 OH2 TIP3 1398 61.385 3.909 -7.109 1.00 0.00 WAT1 ATOM 6236 H1 TIP3 1398 61.816 3.566 -6.323 1.00 0.00 WAT1 ATOM 6237 H2 TIP3 1398 61.375 3.147 -7.731 1.00 0.00 WAT1 ATOM 6238 OH2 TIP3 1399 53.922 11.915 -18.202 1.00 0.00 WAT1 ATOM 6239 H1 TIP3 1399 54.603 11.892 -17.492 1.00 0.00 WAT1 ATOM 6240 H2 TIP3 1399 54.278 11.321 -18.896 1.00 0.00 WAT1 ATOM 6241 OH2 TIP3 1400 54.660 17.324 -10.749 1.00 0.00 WAT1 ATOM 6242 H1 TIP3 1400 55.311 17.137 -11.439 1.00 0.00 WAT1 ATOM 6243 H2 TIP3 1400 54.998 16.834 -9.962 1.00 0.00 WAT1 ATOM 6244 OH2 TIP3 1401 53.268 19.665 -10.421 1.00 0.00 WAT1 ATOM 6245 H1 TIP3 1401 53.759 18.818 -10.518 1.00 0.00 WAT1 ATOM 6246 H2 TIP3 1401 53.957 20.337 -10.420 1.00 0.00 WAT1 ATOM 6247 OH2 TIP3 1402 57.150 14.471 -10.832 1.00 0.00 WAT1 ATOM 6248 H1 TIP3 1402 58.067 14.408 -10.479 1.00 0.00 WAT1 ATOM 6249 H2 TIP3 1402 57.093 13.740 -11.477 1.00 0.00 WAT1 ATOM 6250 OH2 TIP3 1403 57.247 2.803 -5.336 1.00 0.00 WAT1 ATOM 6251 H1 TIP3 1403 57.649 2.477 -6.165 1.00 0.00 WAT1 ATOM 6252 H2 TIP3 1403 56.442 3.246 -5.622 1.00 0.00 WAT1 ATOM 6253 OH2 TIP3 1404 55.673 15.671 -8.834 1.00 0.00 WAT1 ATOM 6254 H1 TIP3 1404 56.315 15.220 -9.432 1.00 0.00 WAT1 ATOM 6255 H2 TIP3 1404 56.192 15.859 -8.019 1.00 0.00 WAT1 ATOM 6256 OH2 TIP3 1405 62.930 0.521 -13.979 1.00 0.00 WAT1 ATOM 6257 H1 TIP3 1405 62.701 0.016 -14.786 1.00 0.00 WAT1 ATOM 6258 H2 TIP3 1405 62.256 1.241 -13.954 1.00 0.00 WAT1 ATOM 6259 OH2 TIP3 1406 57.777 10.938 -14.920 1.00 0.00 WAT1 ATOM 6260 H1 TIP3 1406 57.741 9.995 -15.183 1.00 0.00 WAT1 ATOM 6261 H2 TIP3 1406 58.732 11.171 -14.988 1.00 0.00 WAT1 ATOM 6262 OH2 TIP3 1407 60.816 2.164 -14.216 1.00 0.00 WAT1 ATOM 6263 H1 TIP3 1407 59.874 2.279 -13.952 1.00 0.00 WAT1 ATOM 6264 H2 TIP3 1407 60.947 2.813 -14.934 1.00 0.00 WAT1 ATOM 6265 OH2 TIP3 1408 57.784 1.684 -7.817 1.00 0.00 WAT1 ATOM 6266 H1 TIP3 1408 58.487 1.592 -8.486 1.00 0.00 WAT1 ATOM 6267 H2 TIP3 1408 57.536 0.761 -7.609 1.00 0.00 WAT1 ATOM 6268 OH2 TIP3 1409 53.437 4.962 -2.650 1.00 0.00 WAT1 ATOM 6269 H1 TIP3 1409 52.465 5.061 -2.711 1.00 0.00 WAT1 ATOM 6270 H2 TIP3 1409 53.599 4.047 -2.932 1.00 0.00 WAT1 END