REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -533.783, 66.0768, 97.1027, 47.2809, 550.53, -540.666, -759.548, 5.00084, 0.439782 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 5.922212E-03,0.433281,1.12568,42.1525,5.69112E-03,0.220849 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 44, 12 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:27 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -13.933 -11.901 3.301 1.00 3.12 ATOM 2 CB MET 1 -14.933 -10.774 4.831 1.00 13.14 ATOM 3 HB1 MET 1 -14.744 -10.487 5.856 1.00 38.74 ATOM 4 HB2 MET 1 -15.842 -11.357 4.795 1.00 31.01 ATOM 5 CG MET 1 -15.152 -9.505 4.015 1.00 0.11 ATOM 6 HG1 MET 1 -15.375 -9.783 2.995 1.00 38.74 ATOM 7 HG2 MET 1 -14.246 -8.916 4.036 1.00 42.54 ATOM 8 SD MET 1 -16.510 -8.498 4.649 1.00 21.23 ATOM 9 CE MET 1 -16.516 -7.145 3.470 1.00 4.14 ATOM 10 HE1 MET 1 -15.553 -6.656 3.480 1.00 1.41 ATOM 11 HE2 MET 1 -17.283 -6.435 3.741 1.00 54.20 ATOM 12 HE3 MET 1 -16.715 -7.530 2.480 1.00 2.21 ATOM 13 C MET 1 -12.446 -10.872 4.454 1.00 2.41 ATOM 14 O MET 1 -11.839 -10.819 5.524 1.00 0.02 ATOM 15 N MET 1 -13.720 -12.910 5.121 1.00 24.11 ATOM 16 HT1 MET 1 -14.607 -13.441 5.001 1.00 38.74 ATOM 17 HT2 MET 1 -13.593 -12.702 6.131 1.00 38.74 ATOM 18 HT3 MET 1 -12.928 -13.504 4.802 1.00 38.74 ATOM 19 CA MET 1 -13.769 -11.646 4.339 1.00 41.42 ATOM 20 N ALA 2 -12.003 -10.283 3.345 1.00 12.04 ATOM 21 HN ALA 2 -12.513 -10.394 2.514 1.00 38.74 ATOM 22 CA ALA 2 -10.770 -9.483 3.319 1.00 52.40 ATOM 23 HA ALA 2 -10.643 -9.027 4.292 1.00 44.14 ATOM 24 CB ALA 2 -9.564 -10.383 3.054 1.00 71.24 ATOM 25 HB1 ALA 2 -9.519 -11.155 3.808 1.00 72.22 ATOM 26 HB2 ALA 2 -8.658 -9.795 3.090 1.00 31.25 ATOM 27 HB3 ALA 2 -9.658 -10.838 2.079 1.00 3.51 ATOM 28 C ALA 2 -10.854 -8.371 2.263 1.00 41.03 ATOM 29 O ALA 2 -11.836 -8.283 1.522 1.00 13.22 ATOM 30 N ALA 3 -9.829 -7.520 2.198 1.00 43.43 ATOM 31 HN ALA 3 -9.085 -7.620 2.828 1.00 38.74 ATOM 32 CA ALA 3 -9.795 -6.430 1.215 1.00 53.43 ATOM 33 HA ALA 3 -10.693 -5.839 1.350 1.00 70.42 ATOM 34 CB ALA 3 -8.597 -5.522 1.471 1.00 22.25 ATOM 35 HB1 ALA 3 -8.630 -4.679 0.795 1.00 61.31 ATOM 36 HB2 ALA 3 -7.684 -6.076 1.309 1.00 64.33 ATOM 37 HB3 ALA 3 -8.623 -5.166 2.491 1.00 4.52 ATOM 38 C ALA 3 -9.768 -6.965 -0.229 1.00 61.31 ATOM 39 O ALA 3 -10.487 -6.467 -1.095 1.00 52.42 ATOM 40 N SER 4 -8.925 -7.977 -0.478 1.00 25.20 ATOM 41 HN SER 4 -8.356 -8.303 0.248 1.00 38.74 ATOM 42 CA SER 4 -8.829 -8.623 -1.805 1.00 11.22 ATOM 43 HA SER 4 -8.013 -9.330 -1.761 1.00 61.43 ATOM 44 CB SER 4 -10.126 -9.392 -2.132 1.00 33.24 ATOM 45 HB1 SER 4 -10.083 -9.751 -3.151 1.00 38.74 ATOM 46 HB2 SER 4 -10.971 -8.729 -2.023 1.00 64.45 ATOM 47 OG SER 4 -10.313 -10.507 -1.267 1.00 64.04 ATOM 48 HG SER 4 -10.996 -11.084 -1.638 1.00 15.43 ATOM 49 C SER 4 -8.530 -7.613 -2.930 1.00 35.43 ATOM 50 O SER 4 -9.021 -7.764 -4.048 1.00 51.51 ATOM 51 N THR 5 -7.694 -6.613 -2.637 1.00 21.23 ATOM 52 HN THR 5 -7.296 -6.580 -1.743 1.00 38.74 ATOM 53 CA THR 5 -7.354 -5.556 -3.610 1.00 60.43 ATOM 54 HA THR 5 -8.227 -4.929 -3.730 1.00 24.55 ATOM 55 CB THR 5 -6.188 -4.665 -3.105 1.00 52.03 ATOM 56 HB THR 5 -5.295 -5.270 -3.036 1.00 33.22 ATOM 57 OG1 THR 5 -6.497 -4.137 -1.806 1.00 75.43 ATOM 58 HG1 THR 5 -6.318 -4.811 -1.137 1.00 30.04 ATOM 59 CG2 THR 5 -5.921 -3.510 -4.067 1.00 73.51 ATOM 60 HG21 THR 5 -6.791 -2.871 -4.115 1.00 12.14 ATOM 61 HG22 THR 5 -5.707 -3.902 -5.051 1.00 14.02 ATOM 62 HG23 THR 5 -5.074 -2.938 -3.716 1.00 71.01 ATOM 63 C THR 5 -6.971 -6.138 -4.980 1.00 64.11 ATOM 64 O THR 5 -5.881 -6.691 -5.155 1.00 25.12 ATOM 65 N VAL 6 -7.880 -6.018 -5.944 1.00 10.32 ATOM 66 HN VAL 6 -8.708 -5.529 -5.754 1.00 38.74 ATOM 67 CA VAL 6 -7.694 -6.606 -7.276 1.00 5.04 ATOM 68 HA VAL 6 -7.356 -7.625 -7.134 1.00 32.33 ATOM 69 CB VAL 6 -9.042 -6.661 -8.050 1.00 43.11 ATOM 70 HB VAL 6 -9.728 -7.270 -7.479 1.00 40.53 ATOM 71 CG1 VAL 6 -9.661 -5.271 -8.187 1.00 13.44 ATOM 72 HG11 VAL 6 -10.614 -5.348 -8.690 1.00 5.23 ATOM 73 HG12 VAL 6 -9.003 -4.637 -8.763 1.00 25.53 ATOM 74 HG13 VAL 6 -9.807 -4.841 -7.205 1.00 33.44 ATOM 75 CG2 VAL 6 -8.861 -7.319 -9.418 1.00 12.02 ATOM 76 HG21 VAL 6 -9.813 -7.361 -9.928 1.00 70.13 ATOM 77 HG22 VAL 6 -8.478 -8.322 -9.289 1.00 31.35 ATOM 78 HG23 VAL 6 -8.163 -6.743 -10.008 1.00 72.32 ATOM 79 C VAL 6 -6.639 -5.854 -8.113 1.00 44.35 ATOM 80 O VAL 6 -6.734 -4.644 -8.336 1.00 30.22 ATOM 81 N HIS 7 -5.623 -6.585 -8.576 1.00 11.23 ATOM 82 HN HIS 7 -5.564 -7.529 -8.316 1.00 38.74 ATOM 83 CA HIS 7 -4.594 -6.023 -9.463 1.00 54.55 ATOM 84 HA HIS 7 -4.469 -4.980 -9.206 1.00 0.54 ATOM 85 CB HIS 7 -3.255 -6.749 -9.259 1.00 42.32 ATOM 86 HB1 HIS 7 -2.576 -6.474 -10.054 1.00 38.74 ATOM 87 HB2 HIS 7 -3.420 -7.816 -9.288 1.00 23.02 ATOM 88 CG HIS 7 -2.591 -6.424 -7.957 1.00 4.24 ATOM 89 ND1 HIS 7 -1.533 -5.548 -7.858 1.00 3.52 ATOM 90 HD1 HIS 7 -1.120 -5.060 -8.605 1.00 64.33 ATOM 91 CD2 HIS 7 -2.831 -6.862 -6.697 1.00 14.30 ATOM 92 HD2 HIS 7 -3.594 -7.567 -6.395 1.00 24.13 ATOM 93 CE1 HIS 7 -1.151 -5.460 -6.601 1.00 70.15 ATOM 94 HE1 HIS 7 -0.347 -4.843 -6.227 1.00 63.02 ATOM 95 NE2 HIS 7 -1.921 -6.244 -5.876 1.00 13.45 ATOM 96 HE2 HIS 7 -1.935 -6.264 -4.896 1.00 38.74 ATOM 97 C HIS 7 -5.035 -6.106 -10.933 1.00 21.30 ATOM 98 O HIS 7 -4.364 -6.712 -11.773 1.00 50.24 ATOM 99 N THR 8 -6.179 -5.495 -11.224 1.00 32.54 ATOM 100 HN THR 8 -6.665 -5.039 -10.505 1.00 38.74 ATOM 101 CA THR 8 -6.745 -5.475 -12.579 1.00 60.25 ATOM 102 HA THR 8 -5.924 -5.410 -13.283 1.00 72.45 ATOM 103 CB THR 8 -7.554 -6.767 -12.885 1.00 5.22 ATOM 104 HB THR 8 -8.319 -6.879 -12.129 1.00 13.34 ATOM 105 OG1 THR 8 -6.691 -7.917 -12.844 1.00 41.21 ATOM 106 HG1 THR 8 -5.861 -7.705 -13.292 1.00 34.54 ATOM 107 CG2 THR 8 -8.231 -6.698 -14.251 1.00 73.15 ATOM 108 HG21 THR 8 -8.936 -5.878 -14.267 1.00 24.53 ATOM 109 HG22 THR 8 -8.755 -7.623 -14.441 1.00 54.34 ATOM 110 HG23 THR 8 -7.484 -6.545 -15.017 1.00 4.01 ATOM 111 C THR 8 -7.659 -4.259 -12.762 1.00 13.43 ATOM 112 O THR 8 -8.685 -4.137 -12.094 1.00 43.51 ATOM 113 N SER 9 -7.276 -3.354 -13.655 1.00 71.51 ATOM 114 HN SER 9 -6.438 -3.490 -14.143 1.00 38.74 ATOM 115 CA SER 9 -8.079 -2.161 -13.944 1.00 53.35 ATOM 116 HA SER 9 -8.449 -1.781 -13.001 1.00 40.41 ATOM 117 CB SER 9 -7.209 -1.079 -14.602 1.00 3.24 ATOM 118 HB1 SER 9 -6.687 -0.523 -13.838 1.00 38.74 ATOM 119 HB2 SER 9 -7.838 -0.408 -15.167 1.00 24.22 ATOM 120 OG SER 9 -6.255 -1.644 -15.483 1.00 14.44 ATOM 121 HG SER 9 -5.813 -0.939 -15.973 1.00 34.24 ATOM 122 C SER 9 -9.283 -2.503 -14.835 1.00 74.44 ATOM 123 O SER 9 -9.262 -3.482 -15.579 1.00 61.32 ATOM 124 N PHE 10 -10.331 -1.690 -14.757 1.00 14.45 ATOM 125 HN PHE 10 -10.266 -0.882 -14.208 1.00 38.74 ATOM 126 CA PHE 10 -11.578 -1.956 -15.485 1.00 41.31 ATOM 127 HA PHE 10 -11.447 -2.870 -16.051 1.00 33.43 ATOM 128 CB PHE 10 -12.741 -2.148 -14.500 1.00 5.00 ATOM 129 HB1 PHE 10 -13.648 -2.334 -15.059 1.00 38.74 ATOM 130 HB2 PHE 10 -12.864 -1.244 -13.921 1.00 71.33 ATOM 131 CG PHE 10 -12.546 -3.297 -13.537 1.00 43.43 ATOM 132 CD1 PHE 10 -12.825 -4.602 -13.923 1.00 64.21 ATOM 133 HD1 PHE 10 -13.182 -4.795 -14.924 1.00 3.22 ATOM 134 CD2 PHE 10 -12.085 -3.072 -12.245 1.00 24.15 ATOM 135 HD2 PHE 10 -11.863 -2.062 -11.930 1.00 12.41 ATOM 136 CE1 PHE 10 -12.650 -5.655 -13.043 1.00 51.31 ATOM 137 HE1 PHE 10 -12.874 -6.666 -13.356 1.00 12.23 ATOM 138 CE2 PHE 10 -11.910 -4.122 -11.362 1.00 71.20 ATOM 139 HE2 PHE 10 -11.552 -3.933 -10.361 1.00 40.14 ATOM 140 CZ PHE 10 -12.191 -5.414 -11.763 1.00 65.15 ATOM 141 HZ PHE 10 -12.055 -6.236 -11.074 1.00 22.32 ATOM 142 C PHE 10 -11.909 -0.818 -16.460 1.00 61.14 ATOM 143 O PHE 10 -11.708 0.359 -16.150 1.00 72.22 ATOM 144 N ILE 11 -12.412 -1.182 -17.635 1.00 43.50 ATOM 145 HN ILE 11 -12.529 -2.137 -17.821 1.00 38.74 ATOM 146 CA ILE 11 -12.799 -0.211 -18.662 1.00 44.42 ATOM 147 HA ILE 11 -12.625 0.784 -18.275 1.00 52.13 ATOM 148 CB ILE 11 -11.955 -0.391 -19.952 1.00 74.43 ATOM 149 HB ILE 11 -12.213 -1.345 -20.391 1.00 41.13 ATOM 150 CG1 ILE 11 -10.452 -0.388 -19.622 1.00 53.31 ATOM 151 HG11 ILE 11 -10.234 -1.217 -18.962 1.00 38.74 ATOM 152 HG12 ILE 11 -10.197 0.536 -19.120 1.00 35.42 ATOM 153 CG2 ILE 11 -12.286 0.701 -20.974 1.00 42.34 ATOM 154 HG21 ILE 11 -11.734 0.522 -21.887 1.00 30.34 ATOM 155 HG22 ILE 11 -12.013 1.667 -20.575 1.00 71.31 ATOM 156 HG23 ILE 11 -13.345 0.688 -21.188 1.00 11.43 ATOM 157 CD1 ILE 11 -9.560 -0.521 -20.842 1.00 1.33 ATOM 158 HD11 ILE 11 -9.738 0.308 -21.511 1.00 72.21 ATOM 159 HD12 ILE 11 -9.779 -1.448 -21.351 1.00 14.42 ATOM 160 HD13 ILE 11 -8.525 -0.517 -20.534 1.00 31.12 ATOM 161 C ILE 11 -14.286 -0.360 -19.019 1.00 52.43 ATOM 162 O ILE 11 -14.809 -1.470 -19.076 1.00 15.40 ATOM 163 N LEU 12 -14.963 0.759 -19.257 1.00 41.54 ATOM 164 HN LEU 12 -14.509 1.620 -19.158 1.00 38.74 ATOM 165 CA LEU 12 -16.376 0.738 -19.653 1.00 71.10 ATOM 166 HA LEU 12 -16.773 -0.244 -19.435 1.00 61.22 ATOM 167 CB LEU 12 -17.161 1.780 -18.839 1.00 74.53 ATOM 168 HB1 LEU 12 -16.742 2.756 -19.047 1.00 38.74 ATOM 169 HB2 LEU 12 -17.016 1.567 -17.788 1.00 62.43 ATOM 170 CG LEU 12 -18.676 1.837 -19.116 1.00 21.42 ATOM 171 HG LEU 12 -18.832 1.976 -20.177 1.00 40.35 ATOM 172 CD1 LEU 12 -19.357 0.531 -18.712 1.00 60.03 ATOM 173 HD11 LEU 12 -18.933 -0.288 -19.274 1.00 44.35 ATOM 174 HD12 LEU 12 -20.415 0.597 -18.919 1.00 62.21 ATOM 175 HD13 LEU 12 -19.208 0.357 -17.655 1.00 22.24 ATOM 176 CD2 LEU 12 -19.314 3.019 -18.392 1.00 61.40 ATOM 177 HD21 LEU 12 -19.150 2.923 -17.328 1.00 33.54 ATOM 178 HD22 LEU 12 -20.376 3.031 -18.592 1.00 53.24 ATOM 179 HD23 LEU 12 -18.873 3.940 -18.744 1.00 54.14 ATOM 180 C LEU 12 -16.536 1.017 -21.159 1.00 41.12 ATOM 181 O LEU 12 -16.274 2.130 -21.623 1.00 22.13 ATOM 182 N LYS 13 -16.941 0.002 -21.924 1.00 1.11 ATOM 183 HN LYS 13 -17.041 -0.888 -21.522 1.00 38.74 ATOM 184 CA LYS 13 -17.245 0.186 -23.348 1.00 55.35 ATOM 185 HA LYS 13 -16.761 1.102 -23.665 1.00 14.45 ATOM 186 CB LYS 13 -16.698 -0.972 -24.202 1.00 51.34 ATOM 187 HB1 LYS 13 -17.141 -0.916 -25.188 1.00 38.74 ATOM 188 HB2 LYS 13 -16.985 -1.909 -23.745 1.00 54.10 ATOM 189 CG LYS 13 -15.176 -0.956 -24.359 1.00 74.31 ATOM 190 HG1 LYS 13 -14.737 -1.462 -23.510 1.00 38.74 ATOM 191 HG2 LYS 13 -14.836 0.069 -24.378 1.00 3.10 ATOM 192 CD LYS 13 -14.715 -1.654 -25.645 1.00 15.01 ATOM 193 HD1 LYS 13 -13.791 -1.195 -25.972 1.00 38.74 ATOM 194 HD2 LYS 13 -15.468 -1.514 -26.408 1.00 31.34 ATOM 195 CE LYS 13 -14.479 -3.154 -25.461 1.00 12.23 ATOM 196 HE1 LYS 13 -13.638 -3.290 -24.796 1.00 38.74 ATOM 197 HE2 LYS 13 -14.244 -3.586 -26.421 1.00 61.23 ATOM 198 NZ LYS 13 -15.656 -3.864 -24.893 1.00 74.12 ATOM 199 HZ1 LYS 13 -15.802 -3.575 -23.903 1.00 70.42 ATOM 200 HZ2 LYS 13 -15.495 -4.893 -24.916 1.00 22.32 ATOM 201 HZ3 LYS 13 -16.510 -3.645 -25.442 1.00 74.13 ATOM 202 C LYS 13 -18.755 0.343 -23.578 1.00 73.34 ATOM 203 O LYS 13 -19.558 -0.473 -23.121 1.00 21.45 ATOM 204 N VAL 14 -19.131 1.401 -24.290 1.00 1.44 ATOM 205 HN VAL 14 -18.441 1.994 -24.652 1.00 38.74 ATOM 206 CA VAL 14 -20.539 1.709 -24.550 1.00 0.51 ATOM 207 HA VAL 14 -21.141 0.953 -24.061 1.00 44.15 ATOM 208 CB VAL 14 -20.925 3.088 -23.952 1.00 65.40 ATOM 209 HB VAL 14 -20.288 3.841 -24.398 1.00 53.24 ATOM 210 CG1 VAL 14 -22.375 3.441 -24.277 1.00 61.13 ATOM 211 HG11 VAL 14 -22.503 3.499 -25.348 1.00 3.43 ATOM 212 HG12 VAL 14 -22.622 4.396 -23.835 1.00 15.54 ATOM 213 HG13 VAL 14 -23.030 2.680 -23.877 1.00 11.41 ATOM 214 CG2 VAL 14 -20.691 3.102 -22.442 1.00 42.43 ATOM 215 HG21 VAL 14 -19.640 2.946 -22.238 1.00 23.55 ATOM 216 HG22 VAL 14 -21.267 2.313 -21.980 1.00 4.54 ATOM 217 HG23 VAL 14 -20.997 4.055 -22.038 1.00 73.14 ATOM 218 C VAL 14 -20.860 1.698 -26.055 1.00 1.21 ATOM 219 O VAL 14 -20.309 2.484 -26.830 1.00 14.31 ATOM 220 N LEU 15 -21.755 0.801 -26.459 1.00 61.42 ATOM 221 HN LEU 15 -22.130 0.177 -25.802 1.00 38.74 ATOM 222 CA LEU 15 -22.205 0.727 -27.853 1.00 12.51 ATOM 223 HA LEU 15 -21.388 1.045 -28.488 1.00 11.41 ATOM 224 CB LEU 15 -22.584 -0.727 -28.206 1.00 65.40 ATOM 225 HB1 LEU 15 -23.585 -0.913 -27.840 1.00 38.74 ATOM 226 HB2 LEU 15 -21.906 -1.385 -27.679 1.00 70.30 ATOM 227 CG LEU 15 -22.544 -1.104 -29.706 1.00 62.42 ATOM 228 HG LEU 15 -21.562 -0.878 -30.096 1.00 63.43 ATOM 229 CD1 LEU 15 -22.781 -2.602 -29.886 1.00 23.33 ATOM 230 HD11 LEU 15 -23.747 -2.868 -29.481 1.00 11.43 ATOM 231 HD12 LEU 15 -22.010 -3.154 -29.368 1.00 21.41 ATOM 232 HD13 LEU 15 -22.752 -2.848 -30.938 1.00 71.12 ATOM 233 CD2 LEU 15 -23.566 -0.305 -30.515 1.00 43.10 ATOM 234 HD21 LEU 15 -23.327 0.747 -30.461 1.00 11.30 ATOM 235 HD22 LEU 15 -24.555 -0.468 -30.111 1.00 51.44 ATOM 236 HD23 LEU 15 -23.543 -0.626 -31.547 1.00 0.31 ATOM 237 C LEU 15 -23.400 1.676 -28.060 1.00 34.32 ATOM 238 O LEU 15 -24.488 1.447 -27.527 1.00 70.12 ATOM 239 N TRP 16 -23.188 2.740 -28.829 1.00 53.02 ATOM 240 HN TRP 16 -22.328 2.829 -29.290 1.00 38.74 ATOM 241 CA TRP 16 -24.203 3.784 -29.011 1.00 4.21 ATOM 242 HA TRP 16 -24.843 3.780 -28.139 1.00 43.35 ATOM 243 CB TRP 16 -23.510 5.153 -29.108 1.00 24.43 ATOM 244 HB1 TRP 16 -22.968 5.207 -30.042 1.00 38.74 ATOM 245 HB2 TRP 16 -22.810 5.248 -28.292 1.00 63.22 ATOM 246 CG TRP 16 -24.446 6.330 -29.045 1.00 42.31 ATOM 247 CD1 TRP 16 -25.106 6.918 -30.087 1.00 13.32 ATOM 248 HD1 TRP 16 -25.036 6.590 -31.114 1.00 3.43 ATOM 249 CD2 TRP 16 -24.809 7.073 -27.873 1.00 32.31 ATOM 250 NE1 TRP 16 -25.856 7.976 -29.634 1.00 2.22 ATOM 251 HE1 TRP 16 -26.420 8.554 -30.193 1.00 62.34 ATOM 252 CE2 TRP 16 -25.692 8.090 -28.278 1.00 24.02 ATOM 253 CE3 TRP 16 -24.473 6.973 -26.518 1.00 75.53 ATOM 254 HE3 TRP 16 -23.799 6.205 -26.166 1.00 33.21 ATOM 255 CZ2 TRP 16 -26.243 9.001 -27.378 1.00 10.41 ATOM 256 HZ2 TRP 16 -26.921 9.779 -27.696 1.00 22.02 ATOM 257 CZ3 TRP 16 -25.021 7.876 -25.627 1.00 14.24 ATOM 258 HZ3 TRP 16 -24.772 7.813 -24.577 1.00 51.41 ATOM 259 CH2 TRP 16 -25.897 8.879 -26.059 1.00 35.23 ATOM 260 HH2 TRP 16 -26.301 9.564 -25.327 1.00 0.22 ATOM 261 C TRP 16 -25.066 3.529 -30.262 1.00 33.51 ATOM 262 O TRP 16 -24.562 3.516 -31.387 1.00 10.20 ATOM 263 N LEU 17 -26.366 3.318 -30.055 1.00 23.53 ATOM 264 HN LEU 17 -26.699 3.267 -29.135 1.00 38.74 ATOM 265 CA LEU 17 -27.320 3.169 -31.163 1.00 53.30 ATOM 266 HA LEU 17 -26.758 3.121 -32.087 1.00 31.10 ATOM 267 CB LEU 17 -28.142 1.878 -31.006 1.00 70.40 ATOM 268 HB1 LEU 17 -28.872 1.844 -31.804 1.00 38.74 ATOM 269 HB2 LEU 17 -28.670 1.928 -30.064 1.00 54.35 ATOM 270 CG LEU 17 -27.341 0.565 -31.037 1.00 54.21 ATOM 271 HG LEU 17 -26.576 0.600 -30.272 1.00 44.05 ATOM 272 CD1 LEU 17 -28.248 -0.627 -30.735 1.00 32.14 ATOM 273 HD11 LEU 17 -29.036 -0.682 -31.474 1.00 62.13 ATOM 274 HD12 LEU 17 -28.685 -0.509 -29.754 1.00 44.33 ATOM 275 HD13 LEU 17 -27.668 -1.539 -30.760 1.00 73.13 ATOM 276 CD2 LEU 17 -26.649 0.388 -32.387 1.00 50.23 ATOM 277 HD21 LEU 17 -27.389 0.374 -33.175 1.00 60.43 ATOM 278 HD22 LEU 17 -26.099 -0.543 -32.392 1.00 54.33 ATOM 279 HD23 LEU 17 -25.965 1.208 -32.551 1.00 24.22 ATOM 280 C LEU 17 -28.270 4.371 -31.224 1.00 35.12 ATOM 281 O LEU 17 -28.424 5.109 -30.250 1.00 30.45 ATOM 282 N ASP 18 -28.912 4.560 -32.371 1.00 23.15 ATOM 283 HN ASP 18 -28.720 3.969 -33.131 1.00 38.74 ATOM 284 CA ASP 18 -29.877 5.649 -32.541 1.00 53.11 ATOM 285 HA ASP 18 -29.404 6.563 -32.207 1.00 41.31 ATOM 286 CB ASP 18 -30.242 5.793 -34.020 1.00 11.23 ATOM 287 HB1 ASP 18 -30.882 6.656 -34.146 1.00 38.74 ATOM 288 HB2 ASP 18 -30.771 4.907 -34.342 1.00 64.04 ATOM 289 CG ASP 18 -29.016 5.965 -34.896 1.00 52.52 ATOM 290 OD1 ASP 18 -28.711 7.111 -35.293 1.00 0.22 ATOM 291 OD2 ASP 18 -28.346 4.951 -35.185 1.00 33.31 ATOM 292 C ASP 18 -31.147 5.412 -31.703 1.00 32.53 ATOM 293 O ASP 18 -31.771 6.359 -31.224 1.00 4.11 ATOM 294 N GLN 19 -31.524 4.142 -31.532 1.00 13.24 ATOM 295 HN GLN 19 -30.979 3.429 -31.924 1.00 38.74 ATOM 296 CA GLN 19 -32.741 3.787 -30.783 1.00 22.00 ATOM 297 HA GLN 19 -33.389 4.652 -30.774 1.00 75.54 ATOM 298 CB GLN 19 -33.482 2.621 -31.466 1.00 1.21 ATOM 299 HB1 GLN 19 -34.445 2.499 -30.989 1.00 38.74 ATOM 300 HB2 GLN 19 -32.910 1.715 -31.320 1.00 13.10 ATOM 301 CG GLN 19 -33.718 2.794 -32.968 1.00 34.31 ATOM 302 HG1 GLN 19 -34.079 3.798 -33.148 1.00 38.74 ATOM 303 HG2 GLN 19 -34.466 2.084 -33.286 1.00 13.13 ATOM 304 CD GLN 19 -32.461 2.572 -33.798 1.00 14.32 ATOM 305 OE1 GLN 19 -31.571 1.819 -33.411 1.00 31.10 ATOM 306 NE2 GLN 19 -32.382 3.214 -34.944 1.00 40.21 ATOM 307 HE21 GLN 19 -33.125 3.795 -35.203 1.00 50.00 ATOM 308 HE22 GLN 19 -31.576 3.083 -35.488 1.00 31.42 ATOM 309 C GLN 19 -32.428 3.391 -29.326 1.00 31.14 ATOM 310 O GLN 19 -33.255 3.578 -28.431 1.00 24.30 ATOM 311 N ASN 20 -31.238 2.827 -29.094 1.00 70.34 ATOM 312 HN ASN 20 -30.587 2.785 -29.820 1.00 38.74 ATOM 313 CA ASN 20 -30.871 2.287 -27.771 1.00 74.11 ATOM 314 HA ASN 20 -31.470 2.793 -27.026 1.00 30.24 ATOM 315 CB ASN 20 -31.171 0.780 -27.707 1.00 51.53 ATOM 316 HB1 ASN 20 -30.919 0.410 -26.722 1.00 38.74 ATOM 317 HB2 ASN 20 -30.565 0.267 -28.439 1.00 61.10 ATOM 318 CG ASN 20 -32.627 0.459 -27.984 1.00 43.34 ATOM 319 OD1 ASN 20 -33.007 0.153 -29.107 1.00 62.30 ATOM 320 ND2 ASN 20 -33.456 0.534 -26.967 1.00 61.13 ATOM 321 HD21 ASN 20 -33.093 0.784 -26.092 1.00 11.24 ATOM 322 HD22 ASN 20 -34.405 0.358 -27.134 1.00 23.53 ATOM 323 C ASN 20 -29.384 2.516 -27.445 1.00 51.04 ATOM 324 O ASN 20 -28.636 3.076 -28.241 1.00 20.24 ATOM 325 N VAL 21 -28.967 2.078 -26.263 1.00 31.15 ATOM 326 HN VAL 21 -29.622 1.715 -25.630 1.00 38.74 ATOM 327 CA VAL 21 -27.557 2.127 -25.871 1.00 0.00 ATOM 328 HA VAL 21 -26.962 2.161 -26.776 1.00 30.04 ATOM 329 CB VAL 21 -27.245 3.400 -25.038 1.00 72.53 ATOM 330 HB VAL 21 -27.568 4.257 -25.614 1.00 64.31 ATOM 331 CG1 VAL 21 -28.020 3.407 -23.723 1.00 12.03 ATOM 332 HG11 VAL 21 -27.739 2.548 -23.131 1.00 20.13 ATOM 333 HG12 VAL 21 -29.081 3.369 -23.928 1.00 12.24 ATOM 334 HG13 VAL 21 -27.793 4.309 -23.175 1.00 51.51 ATOM 335 CG2 VAL 21 -25.745 3.541 -24.788 1.00 31.23 ATOM 336 HG21 VAL 21 -25.225 3.608 -25.733 1.00 10.32 ATOM 337 HG22 VAL 21 -25.385 2.680 -24.242 1.00 63.31 ATOM 338 HG23 VAL 21 -25.556 4.435 -24.211 1.00 60.23 ATOM 339 C VAL 21 -27.172 0.865 -25.081 1.00 30.54 ATOM 340 O VAL 21 -27.994 0.305 -24.349 1.00 4.41 ATOM 341 N ALA 22 -25.936 0.404 -25.257 1.00 51.12 ATOM 342 HN ALA 22 -25.331 0.883 -25.864 1.00 38.74 ATOM 343 CA ALA 22 -25.454 -0.804 -24.577 1.00 50.02 ATOM 344 HA ALA 22 -26.235 -1.151 -23.911 1.00 3.01 ATOM 345 CB ALA 22 -25.179 -1.905 -25.592 1.00 10.23 ATOM 346 HB1 ALA 22 -24.393 -1.589 -26.263 1.00 12.11 ATOM 347 HB2 ALA 22 -26.076 -2.106 -26.158 1.00 52.32 ATOM 348 HB3 ALA 22 -24.871 -2.803 -25.076 1.00 3.20 ATOM 349 C ALA 22 -24.190 -0.529 -23.757 1.00 74.32 ATOM 350 O ALA 22 -23.291 0.183 -24.204 1.00 25.22 ATOM 351 N ILE 23 -24.120 -1.111 -22.563 1.00 51.24 ATOM 352 HN ILE 23 -24.876 -1.658 -22.257 1.00 38.74 ATOM 353 CA ILE 23 -22.952 -0.951 -21.682 1.00 31.42 ATOM 354 HA ILE 23 -22.273 -0.250 -22.153 1.00 21.44 ATOM 355 CB ILE 23 -23.365 -0.368 -20.305 1.00 23.22 ATOM 356 HB ILE 23 -22.488 -0.355 -19.671 1.00 45.14 ATOM 357 CG1 ILE 23 -24.444 -1.249 -19.644 1.00 64.34 ATOM 358 HG11 ILE 23 -24.044 -2.243 -19.497 1.00 38.74 ATOM 359 HG12 ILE 23 -25.305 -1.308 -20.295 1.00 33.15 ATOM 360 CG2 ILE 23 -23.850 1.075 -20.459 1.00 45.54 ATOM 361 HG21 ILE 23 -23.068 1.673 -20.907 1.00 44.12 ATOM 362 HG22 ILE 23 -24.098 1.480 -19.489 1.00 30.04 ATOM 363 HG23 ILE 23 -24.726 1.097 -21.092 1.00 34.34 ATOM 364 CD1 ILE 23 -24.919 -0.738 -18.300 1.00 23.13 ATOM 365 HD11 ILE 23 -25.375 0.233 -18.425 1.00 12.03 ATOM 366 HD12 ILE 23 -24.078 -0.657 -17.626 1.00 24.42 ATOM 367 HD13 ILE 23 -25.644 -1.426 -17.889 1.00 33.43 ATOM 368 C ILE 23 -22.210 -2.284 -21.469 1.00 44.04 ATOM 369 O ILE 23 -22.829 -3.348 -21.400 1.00 3.14 ATOM 370 N ALA 24 -20.880 -2.216 -21.380 1.00 21.12 ATOM 371 HN ALA 24 -20.441 -1.345 -21.488 1.00 38.74 ATOM 372 CA ALA 24 -20.045 -3.402 -21.142 1.00 14.41 ATOM 373 HA ALA 24 -20.616 -4.103 -20.548 1.00 52.31 ATOM 374 CB ALA 24 -19.690 -4.074 -22.465 1.00 61.01 ATOM 375 HB1 ALA 24 -19.142 -4.985 -22.275 1.00 21.34 ATOM 376 HB2 ALA 24 -19.079 -3.405 -23.057 1.00 51.03 ATOM 377 HB3 ALA 24 -20.596 -4.306 -23.007 1.00 25.24 ATOM 378 C ALA 24 -18.762 -3.036 -20.384 1.00 74.12 ATOM 379 O ALA 24 -18.248 -1.928 -20.519 1.00 3.31 ATOM 380 N VAL 25 -18.250 -3.970 -19.587 1.00 0.41 ATOM 381 HN VAL 25 -18.717 -4.827 -19.494 1.00 38.74 ATOM 382 CA VAL 25 -17.003 -3.755 -18.846 1.00 75.34 ATOM 383 HA VAL 25 -16.656 -2.750 -19.060 1.00 24.30 ATOM 384 CB VAL 25 -17.224 -3.874 -17.314 1.00 13.42 ATOM 385 HB VAL 25 -17.610 -4.862 -17.106 1.00 75.34 ATOM 386 CG1 VAL 25 -15.908 -3.708 -16.551 1.00 53.44 ATOM 387 HG11 VAL 25 -15.212 -4.477 -16.856 1.00 0.53 ATOM 388 HG12 VAL 25 -16.093 -3.793 -15.490 1.00 23.33 ATOM 389 HG13 VAL 25 -15.485 -2.735 -16.764 1.00 13.53 ATOM 390 CG2 VAL 25 -18.252 -2.849 -16.835 1.00 21.50 ATOM 391 HG21 VAL 25 -19.189 -3.009 -17.348 1.00 1.12 ATOM 392 HG22 VAL 25 -17.894 -1.850 -17.043 1.00 22.30 ATOM 393 HG23 VAL 25 -18.405 -2.960 -15.770 1.00 10.31 ATOM 394 C VAL 25 -15.919 -4.749 -19.285 1.00 75.21 ATOM 395 O VAL 25 -16.175 -5.948 -19.421 1.00 21.24 ATOM 396 N ASP 26 -14.715 -4.241 -19.514 1.00 24.23 ATOM 397 HN ASP 26 -14.591 -3.272 -19.434 1.00 38.74 ATOM 398 CA ASP 26 -13.571 -5.068 -19.900 1.00 51.11 ATOM 399 HA ASP 26 -13.907 -6.095 -19.985 1.00 63.30 ATOM 400 CB ASP 26 -13.029 -4.603 -21.255 1.00 50.41 ATOM 401 HB1 ASP 26 -12.262 -5.291 -21.585 1.00 38.74 ATOM 402 HB2 ASP 26 -12.598 -3.617 -21.146 1.00 64.03 ATOM 403 CG ASP 26 -14.115 -4.539 -22.315 1.00 51.53 ATOM 404 OD1 ASP 26 -14.216 -5.473 -23.137 1.00 64.33 ATOM 405 OD2 ASP 26 -14.873 -3.546 -22.333 1.00 51.04 ATOM 406 C ASP 26 -12.468 -4.989 -18.835 1.00 34.14 ATOM 407 O ASP 26 -12.253 -3.937 -18.229 1.00 10.35 ATOM 408 N GLN 27 -11.769 -6.097 -18.609 1.00 64.11 ATOM 409 HN GLN 27 -11.962 -6.897 -19.140 1.00 38.74 ATOM 410 CA GLN 27 -10.713 -6.151 -17.590 1.00 24.21 ATOM 411 HA GLN 27 -10.861 -5.316 -16.918 1.00 43.44 ATOM 412 CB GLN 27 -10.821 -7.455 -16.782 1.00 62.01 ATOM 413 HB1 GLN 27 -11.808 -7.511 -16.344 1.00 38.74 ATOM 414 HB2 GLN 27 -10.090 -7.433 -15.986 1.00 2.34 ATOM 415 CG GLN 27 -10.594 -8.721 -17.602 1.00 1.11 ATOM 416 HG1 GLN 27 -9.615 -8.669 -18.058 1.00 38.74 ATOM 417 HG2 GLN 27 -11.346 -8.773 -18.377 1.00 24.12 ATOM 418 CD GLN 27 -10.675 -9.984 -16.763 1.00 44.00 ATOM 419 OE1 GLN 27 -11.730 -10.587 -16.624 1.00 44.50 ATOM 420 NE2 GLN 27 -9.564 -10.385 -16.182 1.00 60.42 ATOM 421 HE21 GLN 27 -8.755 -9.858 -16.314 1.00 75.33 ATOM 422 HE22 GLN 27 -9.597 -11.198 -15.640 1.00 14.34 ATOM 423 C GLN 27 -9.308 -6.033 -18.214 1.00 3.31 ATOM 424 O GLN 27 -9.002 -6.676 -19.223 1.00 42.04 ATOM 425 N ILE 28 -8.459 -5.201 -17.610 1.00 45.35 ATOM 426 HN ILE 28 -8.775 -4.669 -16.850 1.00 38.74 ATOM 427 CA ILE 28 -7.068 -5.053 -18.048 1.00 44.41 ATOM 428 HA ILE 28 -7.035 -5.238 -19.114 1.00 12.13 ATOM 429 CB ILE 28 -6.543 -3.615 -17.794 1.00 42.42 ATOM 430 HB ILE 28 -6.641 -3.404 -16.737 1.00 72.12 ATOM 431 CG1 ILE 28 -7.378 -2.590 -18.584 1.00 64.34 ATOM 432 HG11 ILE 28 -8.402 -2.629 -18.241 1.00 38.74 ATOM 433 HG12 ILE 28 -7.346 -2.840 -19.634 1.00 12.34 ATOM 434 CG2 ILE 28 -5.062 -3.499 -18.158 1.00 64.14 ATOM 435 HG21 ILE 28 -4.720 -2.494 -17.955 1.00 15.41 ATOM 436 HG22 ILE 28 -4.928 -3.721 -19.208 1.00 22.11 ATOM 437 HG23 ILE 28 -4.489 -4.197 -17.567 1.00 60.22 ATOM 438 CD1 ILE 28 -6.895 -1.160 -18.437 1.00 53.23 ATOM 439 HD11 ILE 28 -7.530 -0.505 -19.014 1.00 65.13 ATOM 440 HD12 ILE 28 -5.880 -1.084 -18.795 1.00 41.44 ATOM 441 HD13 ILE 28 -6.933 -0.870 -17.396 1.00 43.43 ATOM 442 C ILE 28 -6.160 -6.075 -17.341 1.00 52.30 ATOM 443 O ILE 28 -5.777 -5.898 -16.183 1.00 21.20 ATOM 444 N VAL 29 -5.842 -7.153 -18.047 1.00 54.12 ATOM 445 HN VAL 29 -6.163 -7.222 -18.971 1.00 38.74 ATOM 446 CA VAL 29 -5.027 -8.240 -17.501 1.00 22.33 ATOM 447 HA VAL 29 -5.261 -8.345 -16.449 1.00 43.30 ATOM 448 CB VAL 29 -5.367 -9.575 -18.218 1.00 61.25 ATOM 449 HB VAL 29 -4.943 -9.538 -19.213 1.00 22.31 ATOM 450 CG1 VAL 29 -4.754 -10.770 -17.495 1.00 14.53 ATOM 451 HG11 VAL 29 -3.680 -10.659 -17.460 1.00 31.52 ATOM 452 HG12 VAL 29 -5.003 -11.678 -18.025 1.00 11.42 ATOM 453 HG13 VAL 29 -5.143 -10.824 -16.487 1.00 13.44 ATOM 454 CG2 VAL 29 -6.879 -9.742 -18.359 1.00 14.55 ATOM 455 HG21 VAL 29 -7.097 -10.680 -18.851 1.00 41.35 ATOM 456 HG22 VAL 29 -7.279 -8.929 -18.948 1.00 71.12 ATOM 457 HG23 VAL 29 -7.337 -9.734 -17.382 1.00 4.42 ATOM 458 C VAL 29 -3.523 -7.939 -17.653 1.00 32.22 ATOM 459 O VAL 29 -3.133 -7.067 -18.431 1.00 52.15 ATOM 460 N GLY 30 -2.682 -8.670 -16.914 1.00 23.21 ATOM 461 HN GLY 30 -3.047 -9.350 -16.309 1.00 38.74 ATOM 462 CA GLY 30 -1.233 -8.467 -16.977 1.00 64.01 ATOM 463 HA1 GLY 30 -0.764 -9.138 -16.273 1.00 38.74 ATOM 464 HA2 GLY 30 -1.015 -7.451 -16.681 1.00 5.32 ATOM 465 C GLY 30 -0.627 -8.709 -18.363 1.00 61.13 ATOM 466 O GLY 30 0.560 -8.452 -18.583 1.00 2.23 ATOM 467 N LYS 31 -1.429 -9.226 -19.295 1.00 53.54 ATOM 468 HN LYS 31 -2.333 -9.499 -19.042 1.00 38.74 ATOM 469 CA LYS 31 -0.988 -9.409 -20.683 1.00 1.44 ATOM 470 HA LYS 31 0.073 -9.213 -20.718 1.00 31.41 ATOM 471 CB LYS 31 -1.240 -10.854 -21.141 1.00 21.31 ATOM 472 HB1 LYS 31 -2.294 -11.070 -21.028 1.00 38.74 ATOM 473 HB2 LYS 31 -0.682 -11.521 -20.500 1.00 42.30 ATOM 474 CG LYS 31 -0.848 -11.155 -22.597 1.00 12.04 ATOM 475 HG1 LYS 31 -1.184 -10.338 -23.221 1.00 38.74 ATOM 476 HG2 LYS 31 -1.350 -12.061 -22.906 1.00 71.30 ATOM 477 CD LYS 31 0.663 -11.344 -22.802 1.00 61.12 ATOM 478 HD1 LYS 31 0.820 -11.848 -23.747 1.00 38.74 ATOM 479 HD2 LYS 31 1.047 -11.962 -22.004 1.00 42.21 ATOM 480 CE LYS 31 1.439 -10.028 -22.815 1.00 64.22 ATOM 481 HE1 LYS 31 2.479 -10.241 -23.018 1.00 38.74 ATOM 482 HE2 LYS 31 1.356 -9.562 -21.846 1.00 43.22 ATOM 483 NZ LYS 31 0.932 -9.084 -23.848 1.00 12.45 ATOM 484 HZ1 LYS 31 1.076 -9.478 -24.800 1.00 2.14 ATOM 485 HZ2 LYS 31 1.437 -8.178 -23.785 1.00 74.30 ATOM 486 HZ3 LYS 31 -0.084 -8.905 -23.712 1.00 50.11 ATOM 487 C LYS 31 -1.696 -8.422 -21.630 1.00 3.25 ATOM 488 O LYS 31 -1.049 -7.761 -22.443 1.00 43.10 ATOM 489 N GLY 32 -3.023 -8.341 -21.531 1.00 22.01 ATOM 490 HN GLY 32 -3.493 -8.922 -20.898 1.00 38.74 ATOM 491 CA GLY 32 -3.792 -7.412 -22.353 1.00 61.31 ATOM 492 HA1 GLY 32 -3.835 -7.795 -23.363 1.00 38.74 ATOM 493 HA2 GLY 32 -3.289 -6.456 -22.364 1.00 53.31 ATOM 494 C GLY 32 -5.216 -7.211 -21.840 1.00 41.21 ATOM 495 O GLY 32 -5.533 -7.568 -20.708 1.00 30.43 ATOM 496 N THR 33 -6.081 -6.646 -22.674 1.00 44.02 ATOM 497 HN THR 33 -5.781 -6.404 -23.574 1.00 38.74 ATOM 498 CA THR 33 -7.477 -6.385 -22.286 1.00 61.10 ATOM 499 HA THR 33 -7.520 -6.338 -21.204 1.00 33.45 ATOM 500 CB THR 33 -7.982 -5.032 -22.843 1.00 72.55 ATOM 501 HB THR 33 -9.022 -4.909 -22.566 1.00 64.23 ATOM 502 OG1 THR 33 -7.879 -5.015 -24.277 1.00 14.03 ATOM 503 HG1 THR 33 -8.587 -4.465 -24.638 1.00 74.54 ATOM 504 CG2 THR 33 -7.186 -3.871 -22.258 1.00 62.25 ATOM 505 HG21 THR 33 -6.144 -3.976 -22.528 1.00 13.14 ATOM 506 HG22 THR 33 -7.280 -3.875 -21.182 1.00 54.01 ATOM 507 HG23 THR 33 -7.568 -2.939 -22.649 1.00 75.13 ATOM 508 C THR 33 -8.419 -7.496 -22.767 1.00 15.44 ATOM 509 O THR 33 -8.359 -7.927 -23.920 1.00 30.24 ATOM 510 N SER 34 -9.295 -7.949 -21.875 1.00 34.32 ATOM 511 HN SER 34 -9.292 -7.566 -20.969 1.00 38.74 ATOM 512 CA SER 34 -10.270 -9.004 -22.198 1.00 63.21 ATOM 513 HA SER 34 -10.309 -9.109 -23.274 1.00 14.51 ATOM 514 CB SER 34 -9.832 -10.343 -21.583 1.00 35.12 ATOM 515 HB1 SER 34 -9.790 -10.247 -20.507 1.00 38.74 ATOM 516 HB2 SER 34 -8.853 -10.606 -21.957 1.00 55.42 ATOM 517 OG SER 34 -10.739 -11.386 -21.912 1.00 74.20 ATOM 518 HG SER 34 -11.176 -11.702 -21.112 1.00 72.02 ATOM 519 C SER 34 -11.669 -8.634 -21.682 1.00 21.43 ATOM 520 O SER 34 -11.799 -8.055 -20.603 1.00 14.34 ATOM 521 N PRO 35 -12.735 -8.965 -22.439 1.00 5.30 ATOM 522 CA PRO 35 -14.120 -8.653 -22.038 1.00 13.03 ATOM 523 HA PRO 35 -14.268 -7.584 -21.959 1.00 51.51 ATOM 524 CB PRO 35 -14.970 -9.200 -23.200 1.00 32.33 ATOM 525 HB1 PRO 35 -15.245 -8.390 -23.860 1.00 38.74 ATOM 526 HB2 PRO 35 -15.864 -9.671 -22.814 1.00 12.11 ATOM 527 CG PRO 35 -14.086 -10.186 -23.893 1.00 41.03 ATOM 528 HG1 PRO 35 -14.350 -10.249 -24.939 1.00 38.74 ATOM 529 HG2 PRO 35 -14.179 -11.157 -23.425 1.00 11.40 ATOM 530 CD PRO 35 -12.685 -9.660 -23.737 1.00 43.01 ATOM 531 HD1 PRO 35 -12.447 -8.970 -24.535 1.00 38.74 ATOM 532 HD2 PRO 35 -11.975 -10.476 -23.714 1.00 54.15 ATOM 533 C PRO 35 -14.523 -9.312 -20.705 1.00 41.33 ATOM 534 O PRO 35 -14.361 -10.523 -20.515 1.00 75.42 ATOM 535 N LEU 36 -15.039 -8.499 -19.783 1.00 73.24 ATOM 536 HN LEU 36 -15.120 -7.543 -19.989 1.00 38.74 ATOM 537 CA LEU 36 -15.488 -8.982 -18.471 1.00 10.05 ATOM 538 HA LEU 36 -14.965 -9.903 -18.253 1.00 3.22 ATOM 539 CB LEU 36 -15.146 -7.944 -17.387 1.00 2.22 ATOM 540 HB1 LEU 36 -15.702 -7.041 -17.599 1.00 38.74 ATOM 541 HB2 LEU 36 -14.091 -7.716 -17.459 1.00 23.24 ATOM 542 CG LEU 36 -15.451 -8.364 -15.938 1.00 33.32 ATOM 543 HG LEU 36 -16.474 -8.709 -15.883 1.00 24.10 ATOM 544 CD1 LEU 36 -14.550 -9.518 -15.504 1.00 10.12 ATOM 545 HD11 LEU 36 -14.734 -10.375 -16.134 1.00 11.53 ATOM 546 HD12 LEU 36 -14.763 -9.777 -14.477 1.00 13.13 ATOM 547 HD13 LEU 36 -13.513 -9.223 -15.591 1.00 53.41 ATOM 548 CD2 LEU 36 -15.308 -7.173 -14.991 1.00 2.42 ATOM 549 HD21 LEU 36 -14.302 -6.781 -15.049 1.00 2.52 ATOM 550 HD22 LEU 36 -15.512 -7.489 -13.979 1.00 63.31 ATOM 551 HD23 LEU 36 -16.011 -6.403 -15.273 1.00 45.21 ATOM 552 C LEU 36 -17.002 -9.259 -18.480 1.00 4.43 ATOM 553 O LEU 36 -17.471 -10.243 -17.903 1.00 13.52 ATOM 554 N THR 37 -17.763 -8.373 -19.129 1.00 13.34 ATOM 555 HN THR 37 -17.336 -7.578 -19.518 1.00 38.74 ATOM 556 CA THR 37 -19.219 -8.543 -19.279 1.00 54.53 ATOM 557 HA THR 37 -19.474 -9.549 -18.973 1.00 54.21 ATOM 558 CB THR 37 -20.017 -7.546 -18.397 1.00 62.15 ATOM 559 HB THR 37 -21.064 -7.818 -18.431 1.00 32.31 ATOM 560 OG1 THR 37 -19.871 -6.209 -18.902 1.00 14.35 ATOM 561 HG1 THR 37 -20.724 -5.894 -19.226 1.00 60.43 ATOM 562 CG2 THR 37 -19.553 -7.592 -16.941 1.00 43.24 ATOM 563 HG21 THR 37 -18.506 -7.334 -16.887 1.00 62.42 ATOM 564 HG22 THR 37 -19.697 -8.589 -16.547 1.00 34.30 ATOM 565 HG23 THR 37 -20.129 -6.890 -16.354 1.00 44.24 ATOM 566 C THR 37 -19.653 -8.349 -20.742 1.00 41.41 ATOM 567 O THR 37 -18.856 -7.948 -21.595 1.00 43.14 ATOM 568 N SER 38 -20.921 -8.640 -21.028 1.00 45.34 ATOM 569 HN SER 38 -21.498 -8.992 -20.318 1.00 38.74 ATOM 570 CA SER 38 -21.479 -8.467 -22.382 1.00 4.44 ATOM 571 HA SER 38 -20.670 -8.569 -23.092 1.00 44.30 ATOM 572 CB SER 38 -22.527 -9.550 -22.668 1.00 13.01 ATOM 573 HB1 SER 38 -22.904 -9.429 -23.675 1.00 38.74 ATOM 574 HB2 SER 38 -23.344 -9.455 -21.966 1.00 74.33 ATOM 575 OG SER 38 -21.972 -10.852 -22.544 1.00 3.12 ATOM 576 HG SER 38 -21.716 -11.001 -21.622 1.00 22.34 ATOM 577 C SER 38 -22.120 -7.085 -22.562 1.00 70.52 ATOM 578 O SER 38 -22.420 -6.398 -21.587 1.00 11.03 ATOM 579 N TYR 39 -22.325 -6.686 -23.819 1.00 2.52 ATOM 580 HN TYR 39 -21.998 -7.244 -24.554 1.00 38.74 ATOM 581 CA TYR 39 -23.026 -5.433 -24.128 1.00 62.11 ATOM 582 HA TYR 39 -22.630 -4.663 -23.478 1.00 24.42 ATOM 583 CB TYR 39 -22.791 -5.020 -25.591 1.00 60.52 ATOM 584 HB1 TYR 39 -23.483 -4.229 -25.850 1.00 38.74 ATOM 585 HB2 TYR 39 -22.977 -5.870 -26.232 1.00 64.25 ATOM 586 CG TYR 39 -21.391 -4.522 -25.882 1.00 61.43 ATOM 587 CD1 TYR 39 -20.422 -5.369 -26.409 1.00 23.53 ATOM 588 HD1 TYR 39 -20.675 -6.402 -26.602 1.00 22.23 ATOM 589 CD2 TYR 39 -21.042 -3.196 -25.640 1.00 73.21 ATOM 590 HD2 TYR 39 -21.783 -2.524 -25.231 1.00 32.22 ATOM 591 CE1 TYR 39 -19.147 -4.912 -26.682 1.00 32.54 ATOM 592 HE1 TYR 39 -18.408 -5.586 -27.092 1.00 74.53 ATOM 593 CE2 TYR 39 -19.771 -2.734 -25.909 1.00 42.42 ATOM 594 HE2 TYR 39 -19.520 -1.702 -25.712 1.00 3.14 ATOM 595 CZ TYR 39 -18.828 -3.593 -26.431 1.00 33.52 ATOM 596 OH TYR 39 -17.560 -3.134 -26.702 1.00 15.44 ATOM 597 HH TYR 39 -17.350 -3.315 -27.628 1.00 11.42 ATOM 598 C TYR 39 -24.532 -5.571 -23.871 1.00 34.31 ATOM 599 O TYR 39 -25.248 -6.211 -24.644 1.00 41.52 ATOM 600 N PHE 40 -25.005 -4.977 -22.782 1.00 41.31 ATOM 601 HN PHE 40 -24.384 -4.484 -22.201 1.00 38.74 ATOM 602 CA PHE 40 -26.424 -5.048 -22.416 1.00 2.11 ATOM 603 HA PHE 40 -26.826 -5.967 -22.822 1.00 3.15 ATOM 604 CB PHE 40 -26.566 -5.081 -20.889 1.00 34.30 ATOM 605 HB1 PHE 40 -27.610 -5.206 -20.633 1.00 38.74 ATOM 606 HB2 PHE 40 -26.214 -4.144 -20.482 1.00 53.41 ATOM 607 CG PHE 40 -25.789 -6.195 -20.231 1.00 23.14 ATOM 608 CD1 PHE 40 -26.140 -7.522 -20.442 1.00 61.41 ATOM 609 HD1 PHE 40 -26.978 -7.755 -21.083 1.00 72.03 ATOM 610 CD2 PHE 40 -24.709 -5.916 -19.404 1.00 74.33 ATOM 611 HD2 PHE 40 -24.424 -4.888 -19.230 1.00 5.14 ATOM 612 CE1 PHE 40 -25.429 -8.545 -19.843 1.00 41.41 ATOM 613 HE1 PHE 40 -25.713 -9.573 -20.016 1.00 71.02 ATOM 614 CE2 PHE 40 -23.996 -6.937 -18.802 1.00 63.34 ATOM 615 HE2 PHE 40 -23.158 -6.707 -18.161 1.00 30.32 ATOM 616 CZ PHE 40 -24.357 -8.252 -19.022 1.00 12.03 ATOM 617 HZ PHE 40 -23.801 -9.051 -18.554 1.00 10.04 ATOM 618 C PHE 40 -27.215 -3.863 -23.000 1.00 72.14 ATOM 619 O PHE 40 -27.048 -2.720 -22.571 1.00 12.32 ATOM 620 N PHE 41 -28.071 -4.148 -23.982 1.00 23.43 ATOM 621 HN PHE 41 -28.163 -5.081 -24.268 1.00 38.74 ATOM 622 CA PHE 41 -28.879 -3.117 -24.653 1.00 32.41 ATOM 623 HA PHE 41 -28.287 -2.216 -24.724 1.00 74.10 ATOM 624 CB PHE 41 -29.258 -3.582 -26.070 1.00 44.13 ATOM 625 HB1 PHE 41 -29.837 -2.804 -26.551 1.00 38.74 ATOM 626 HB2 PHE 41 -29.865 -4.472 -25.995 1.00 45.13 ATOM 627 CG PHE 41 -28.078 -3.902 -26.959 1.00 55.32 ATOM 628 CD1 PHE 41 -27.437 -5.132 -26.873 1.00 41.22 ATOM 629 HD1 PHE 41 -27.785 -5.862 -26.157 1.00 11.34 ATOM 630 CD2 PHE 41 -27.615 -2.977 -27.888 1.00 64.32 ATOM 631 HD2 PHE 41 -28.102 -2.015 -27.969 1.00 32.31 ATOM 632 CE1 PHE 41 -26.362 -5.428 -27.691 1.00 22.44 ATOM 633 HE1 PHE 41 -25.872 -6.389 -27.613 1.00 21.34 ATOM 634 CE2 PHE 41 -26.539 -3.272 -28.705 1.00 2.10 ATOM 635 HE2 PHE 41 -26.189 -2.543 -29.422 1.00 21.32 ATOM 636 CZ PHE 41 -25.913 -4.497 -28.607 1.00 50.51 ATOM 637 HZ PHE 41 -25.073 -4.728 -29.247 1.00 71.43 ATOM 638 C PHE 41 -30.168 -2.812 -23.868 1.00 34.45 ATOM 639 O PHE 41 -30.942 -3.717 -23.563 1.00 43.02 ATOM 640 N TRP 42 -30.417 -1.539 -23.560 1.00 54.44 ATOM 641 HN TRP 42 -29.757 -0.848 -23.795 1.00 38.74 ATOM 642 CA TRP 42 -31.651 -1.155 -22.856 1.00 54.51 ATOM 643 HA TRP 42 -32.260 -2.046 -22.763 1.00 41.30 ATOM 644 CB TRP 42 -31.322 -0.634 -21.441 1.00 63.05 ATOM 645 HB1 TRP 42 -30.387 -1.069 -21.120 1.00 38.74 ATOM 646 HB2 TRP 42 -32.102 -0.949 -20.764 1.00 64.12 ATOM 647 CG TRP 42 -31.195 0.860 -21.329 1.00 62.43 ATOM 648 CD1 TRP 42 -30.184 1.647 -21.803 1.00 2.33 ATOM 649 HD1 TRP 42 -29.325 1.276 -22.343 1.00 3.34 ATOM 650 CD2 TRP 42 -32.118 1.742 -20.679 1.00 32.42 ATOM 651 NE1 TRP 42 -30.432 2.966 -21.498 1.00 63.42 ATOM 652 HE1 TRP 42 -29.856 3.723 -21.735 1.00 34.31 ATOM 653 CE2 TRP 42 -31.612 3.049 -20.806 1.00 62.22 ATOM 654 CE3 TRP 42 -33.328 1.548 -20.007 1.00 31.44 ATOM 655 HE3 TRP 42 -33.748 0.559 -19.888 1.00 51.51 ATOM 656 CZ2 TRP 42 -32.276 4.158 -20.283 1.00 50.34 ATOM 657 HZ2 TRP 42 -31.884 5.159 -20.382 1.00 60.51 ATOM 658 CZ3 TRP 42 -33.985 2.647 -19.488 1.00 72.23 ATOM 659 HZ3 TRP 42 -34.920 2.514 -18.964 1.00 45.42 ATOM 660 CH2 TRP 42 -33.459 3.938 -19.629 1.00 3.13 ATOM 661 HH2 TRP 42 -34.007 4.767 -19.206 1.00 30.34 ATOM 662 C TRP 42 -32.453 -0.111 -23.668 1.00 75.11 ATOM 663 O TRP 42 -31.882 0.625 -24.477 1.00 21.42 ATOM 664 N PRO 43 -33.798 -0.052 -23.500 1.00 62.41 ATOM 665 CA PRO 43 -34.565 -0.959 -22.621 1.00 73.23 ATOM 666 HA PRO 43 -34.043 -1.142 -21.693 1.00 10.34 ATOM 667 CB PRO 43 -35.831 -0.141 -22.340 1.00 2.31 ATOM 668 HB1 PRO 43 -35.664 0.510 -21.493 1.00 38.74 ATOM 669 HB2 PRO 43 -36.661 -0.804 -22.131 1.00 40.45 ATOM 670 CG PRO 43 -36.052 0.641 -23.590 1.00 11.44 ATOM 671 HG1 PRO 43 -36.584 1.554 -23.365 1.00 38.74 ATOM 672 HG2 PRO 43 -36.613 0.048 -24.301 1.00 43.00 ATOM 673 CD PRO 43 -34.679 0.955 -24.137 1.00 11.41 ATOM 674 HD1 PRO 43 -34.380 1.955 -23.855 1.00 38.74 ATOM 675 HD2 PRO 43 -34.668 0.849 -25.212 1.00 71.20 ATOM 676 C PRO 43 -34.921 -2.313 -23.278 1.00 13.41 ATOM 677 O PRO 43 -35.954 -2.906 -22.973 1.00 32.52 ATOM 678 N ARG 44 -34.060 -2.803 -24.176 1.00 22.43 ATOM 679 HN ARG 44 -33.298 -2.256 -24.452 1.00 38.74 ATOM 680 CA ARG 44 -34.234 -4.141 -24.767 1.00 60.34 ATOM 681 HA ARG 44 -35.260 -4.223 -25.099 1.00 15.32 ATOM 682 CB ARG 44 -33.306 -4.313 -25.980 1.00 14.21 ATOM 683 HB1 ARG 44 -33.387 -5.329 -26.344 1.00 38.74 ATOM 684 HB2 ARG 44 -32.286 -4.132 -25.669 1.00 34.32 ATOM 685 CG ARG 44 -33.631 -3.365 -27.132 1.00 21.22 ATOM 686 HG1 ARG 44 -32.939 -3.546 -27.943 1.00 38.74 ATOM 687 HG2 ARG 44 -33.524 -2.346 -26.787 1.00 53.40 ATOM 688 CD ARG 44 -35.058 -3.567 -27.642 1.00 13.01 ATOM 689 HD1 ARG 44 -35.739 -3.497 -26.805 1.00 38.74 ATOM 690 HD2 ARG 44 -35.134 -4.551 -28.083 1.00 2.32 ATOM 691 NE ARG 44 -35.433 -2.574 -28.647 1.00 2.33 ATOM 692 HE ARG 44 -34.782 -2.371 -29.350 1.00 62.31 ATOM 693 CZ ARG 44 -36.582 -1.949 -28.665 1.00 24.33 ATOM 694 NH1 ARG 44 -37.478 -2.193 -27.764 1.00 31.24 ATOM 695 HH11 ARG 44 -37.295 -2.858 -27.042 1.00 51.33 ATOM 696 HH12 ARG 44 -38.355 -1.713 -27.790 1.00 73.03 ATOM 697 NH2 ARG 44 -36.834 -1.088 -29.595 1.00 33.14 ATOM 698 HH21 ARG 44 -36.150 -0.892 -30.295 1.00 23.45 ATOM 699 HH22 ARG 44 -37.713 -0.613 -29.609 1.00 54.23 ATOM 700 C ARG 44 -33.968 -5.241 -23.727 1.00 74.31 ATOM 701 O ARG 44 -34.447 -6.369 -23.855 1.00 61.22 ATOM 702 N ALA 45 -33.187 -4.893 -22.712 1.00 65.13 ATOM 703 HN ALA 45 -32.762 -4.012 -22.730 1.00 38.74 ATOM 704 CA ALA 45 -32.915 -5.774 -21.577 1.00 61.52 ATOM 705 HA ALA 45 -33.818 -6.325 -21.350 1.00 74.42 ATOM 706 CB ALA 45 -31.814 -6.774 -21.929 1.00 41.53 ATOM 707 HB1 ALA 45 -30.904 -6.242 -22.169 1.00 3.33 ATOM 708 HB2 ALA 45 -32.122 -7.362 -22.781 1.00 21.42 ATOM 709 HB3 ALA 45 -31.637 -7.428 -21.087 1.00 61.14 ATOM 710 C ALA 45 -32.517 -4.944 -20.349 1.00 23.01 ATOM 711 O ALA 45 -32.249 -3.745 -20.460 1.00 2.21 ATOM 712 N ASP 46 -32.494 -5.568 -19.179 1.00 3.00 ATOM 713 HN ASP 46 -32.780 -6.508 -19.130 1.00 38.74 ATOM 714 CA ASP 46 -32.070 -4.881 -17.956 1.00 3.42 ATOM 715 HA ASP 46 -32.557 -3.912 -17.934 1.00 20.11 ATOM 716 CB ASP 46 -32.496 -5.681 -16.722 1.00 10.04 ATOM 717 HB1 ASP 46 -32.268 -5.110 -15.831 1.00 38.74 ATOM 718 HB2 ASP 46 -31.947 -6.612 -16.695 1.00 23.54 ATOM 719 CG ASP 46 -33.982 -5.991 -16.726 1.00 50.31 ATOM 720 OD1 ASP 46 -34.789 -5.050 -16.583 1.00 1.51 ATOM 721 OD2 ASP 46 -34.348 -7.177 -16.870 1.00 42.24 ATOM 722 C ASP 46 -30.546 -4.669 -17.960 1.00 22.13 ATOM 723 O ASP 46 -29.790 -5.497 -17.452 1.00 14.33 ATOM 724 N ALA 47 -30.106 -3.570 -18.569 1.00 4.44 ATOM 725 HN ALA 47 -30.764 -2.932 -18.919 1.00 38.74 ATOM 726 CA ALA 47 -28.675 -3.292 -18.755 1.00 4.12 ATOM 727 HA ALA 47 -28.264 -4.102 -19.341 1.00 30.10 ATOM 728 CB ALA 47 -28.493 -2.007 -19.556 1.00 0.53 ATOM 729 HB1 ALA 47 -27.442 -1.851 -19.756 1.00 12.45 ATOM 730 HB2 ALA 47 -28.880 -1.170 -18.994 1.00 50.14 ATOM 731 HB3 ALA 47 -29.027 -2.089 -20.492 1.00 72.50 ATOM 732 C ALA 47 -27.900 -3.210 -17.431 1.00 61.11 ATOM 733 O ALA 47 -27.076 -4.075 -17.129 1.00 12.44 ATOM 734 N TRP 48 -28.175 -2.174 -16.642 1.00 42.20 ATOM 735 HN TRP 48 -28.897 -1.562 -16.895 1.00 38.74 ATOM 736 CA TRP 48 -27.433 -1.925 -15.399 1.00 12.12 ATOM 737 HA TRP 48 -26.382 -1.881 -15.647 1.00 22.22 ATOM 738 CB TRP 48 -27.858 -0.577 -14.801 1.00 3.54 ATOM 739 HB1 TRP 48 -28.845 -0.676 -14.371 1.00 38.74 ATOM 740 HB2 TRP 48 -27.888 0.165 -15.585 1.00 63.40 ATOM 741 CG TRP 48 -26.933 -0.078 -13.730 1.00 5.44 ATOM 742 CD1 TRP 48 -25.678 0.434 -13.906 1.00 71.45 ATOM 743 HD1 TRP 48 -25.190 0.534 -14.865 1.00 10.15 ATOM 744 CD2 TRP 48 -27.193 -0.030 -12.322 1.00 73.44 ATOM 745 NE1 TRP 48 -25.140 0.786 -12.695 1.00 61.21 ATOM 746 HE1 TRP 48 -24.251 1.174 -12.560 1.00 24.04 ATOM 747 CE2 TRP 48 -26.051 0.515 -11.707 1.00 21.13 ATOM 748 CE3 TRP 48 -28.282 -0.395 -11.522 1.00 70.04 ATOM 749 HE3 TRP 48 -29.178 -0.817 -11.954 1.00 33.44 ATOM 750 CZ2 TRP 48 -25.967 0.703 -10.330 1.00 44.15 ATOM 751 HZ2 TRP 48 -25.088 1.123 -9.863 1.00 74.24 ATOM 752 CZ3 TRP 48 -28.195 -0.207 -10.155 1.00 3.25 ATOM 753 HZ3 TRP 48 -29.025 -0.482 -9.520 1.00 64.34 ATOM 754 CH2 TRP 48 -27.046 0.339 -9.572 1.00 20.55 ATOM 755 HH2 TRP 48 -27.021 0.467 -8.500 1.00 12.41 ATOM 756 C TRP 48 -27.650 -3.057 -14.381 1.00 62.01 ATOM 757 O TRP 48 -26.750 -3.398 -13.609 1.00 32.12 ATOM 758 N GLN 49 -28.849 -3.641 -14.395 1.00 21.11 ATOM 759 HN GLN 49 -29.531 -3.308 -15.017 1.00 38.74 ATOM 760 CA GLN 49 -29.181 -4.759 -13.504 1.00 73.34 ATOM 761 HA GLN 49 -28.998 -4.433 -12.491 1.00 13.31 ATOM 762 CB GLN 49 -30.664 -5.136 -13.640 1.00 60.22 ATOM 763 HB1 GLN 49 -30.852 -5.456 -14.656 1.00 38.74 ATOM 764 HB2 GLN 49 -31.266 -4.261 -13.433 1.00 25.32 ATOM 765 CG GLN 49 -31.107 -6.253 -12.696 1.00 63.15 ATOM 766 HG1 GLN 49 -30.508 -7.131 -12.895 1.00 38.74 ATOM 767 HG2 GLN 49 -32.145 -6.480 -12.891 1.00 63.20 ATOM 768 CD GLN 49 -30.964 -5.889 -11.225 1.00 11.14 ATOM 769 OE1 GLN 49 -30.703 -6.742 -10.380 1.00 43.23 ATOM 770 NE2 GLN 49 -31.155 -4.626 -10.897 1.00 22.43 ATOM 771 HE21 GLN 49 -31.379 -3.989 -11.607 1.00 32.24 ATOM 772 HE22 GLN 49 -31.071 -4.381 -9.955 1.00 3.43 ATOM 773 C GLN 49 -28.301 -5.985 -13.791 1.00 60.10 ATOM 774 O GLN 49 -27.711 -6.562 -12.879 1.00 61.31 ATOM 775 N GLN 50 -28.212 -6.377 -15.061 1.00 1.31 ATOM 776 HN GLN 50 -28.722 -5.898 -15.748 1.00 38.74 ATOM 777 CA GLN 50 -27.369 -7.512 -15.453 1.00 31.04 ATOM 778 HA GLN 50 -27.626 -8.342 -14.809 1.00 12.52 ATOM 779 CB GLN 50 -27.645 -7.916 -16.907 1.00 12.12 ATOM 780 HB1 GLN 50 -26.920 -8.662 -17.206 1.00 38.74 ATOM 781 HB2 GLN 50 -27.534 -7.046 -17.540 1.00 24.11 ATOM 782 CG GLN 50 -29.041 -8.494 -17.124 1.00 3.44 ATOM 783 HG1 GLN 50 -29.774 -7.767 -16.799 1.00 38.74 ATOM 784 HG2 GLN 50 -29.139 -9.390 -16.529 1.00 40.44 ATOM 785 CD GLN 50 -29.314 -8.849 -18.576 1.00 34.30 ATOM 786 OE1 GLN 50 -29.062 -9.965 -19.015 1.00 25.43 ATOM 787 NE2 GLN 50 -29.823 -7.899 -19.335 1.00 44.41 ATOM 788 HE21 GLN 50 -29.993 -7.025 -18.930 1.00 55.52 ATOM 789 HE22 GLN 50 -30.009 -8.112 -20.271 1.00 43.31 ATOM 790 C GLN 50 -25.879 -7.196 -15.258 1.00 23.24 ATOM 791 O GLN 50 -25.098 -8.068 -14.885 1.00 75.20 ATOM 792 N LEU 51 -25.493 -5.942 -15.499 1.00 43.33 ATOM 793 HN LEU 51 -26.149 -5.296 -15.837 1.00 38.74 ATOM 794 CA LEU 51 -24.109 -5.508 -15.282 1.00 71.32 ATOM 795 HA LEU 51 -23.472 -6.119 -15.907 1.00 51.11 ATOM 796 CB LEU 51 -23.938 -4.036 -15.686 1.00 64.54 ATOM 797 HB1 LEU 51 -24.656 -3.447 -15.133 1.00 38.74 ATOM 798 HB2 LEU 51 -24.162 -3.946 -16.742 1.00 55.42 ATOM 799 CG LEU 51 -22.536 -3.450 -15.434 1.00 25.42 ATOM 800 HG LEU 51 -22.316 -3.516 -14.377 1.00 32.31 ATOM 801 CD1 LEU 51 -21.470 -4.251 -16.177 1.00 44.52 ATOM 802 HD11 LEU 51 -20.499 -3.815 -15.994 1.00 53.41 ATOM 803 HD12 LEU 51 -21.677 -4.237 -17.238 1.00 45.12 ATOM 804 HD13 LEU 51 -21.475 -5.273 -15.823 1.00 31.03 ATOM 805 CD2 LEU 51 -22.484 -1.974 -15.830 1.00 52.12 ATOM 806 HD21 LEU 51 -23.203 -1.417 -15.244 1.00 72.42 ATOM 807 HD22 LEU 51 -22.721 -1.870 -16.880 1.00 54.32 ATOM 808 HD23 LEU 51 -21.493 -1.585 -15.645 1.00 21.41 ATOM 809 C LEU 51 -23.688 -5.700 -13.817 1.00 64.21 ATOM 810 O LEU 51 -22.669 -6.334 -13.529 1.00 61.41 ATOM 811 N LYS 52 -24.474 -5.150 -12.893 1.00 0.14 ATOM 812 HN LYS 52 -25.259 -4.632 -13.175 1.00 38.74 ATOM 813 CA LYS 52 -24.183 -5.295 -11.467 1.00 70.25 ATOM 814 HA LYS 52 -23.161 -4.972 -11.313 1.00 4.04 ATOM 815 CB LYS 52 -25.111 -4.399 -10.629 1.00 44.33 ATOM 816 HB1 LYS 52 -25.046 -3.388 -11.007 1.00 38.74 ATOM 817 HB2 LYS 52 -24.765 -4.409 -9.606 1.00 51.12 ATOM 818 CG LYS 52 -26.581 -4.819 -10.637 1.00 34.44 ATOM 819 HG1 LYS 52 -26.674 -5.774 -10.138 1.00 38.74 ATOM 820 HG2 LYS 52 -26.908 -4.920 -11.663 1.00 65.32 ATOM 821 CD LYS 52 -27.480 -3.799 -9.933 1.00 13.25 ATOM 822 HD1 LYS 52 -28.486 -4.195 -9.890 1.00 38.74 ATOM 823 HD2 LYS 52 -27.483 -2.883 -10.505 1.00 54.34 ATOM 824 CE LYS 52 -27.012 -3.485 -8.511 1.00 65.23 ATOM 825 HE1 LYS 52 -27.695 -2.772 -8.072 1.00 38.74 ATOM 826 HE2 LYS 52 -26.025 -3.051 -8.557 1.00 3.43 ATOM 827 NZ LYS 52 -26.960 -4.694 -7.648 1.00 74.41 ATOM 828 HZ1 LYS 52 -27.904 -5.124 -7.569 1.00 1.21 ATOM 829 HZ2 LYS 52 -26.631 -4.437 -6.696 1.00 50.34 ATOM 830 HZ3 LYS 52 -26.305 -5.395 -8.049 1.00 24.10 ATOM 831 C LYS 52 -24.296 -6.768 -11.036 1.00 13.15 ATOM 832 O LYS 52 -23.507 -7.244 -10.222 1.00 11.50 ATOM 833 N ASP 53 -25.266 -7.486 -11.605 1.00 3.34 ATOM 834 HN ASP 53 -25.905 -7.035 -12.197 1.00 38.74 ATOM 835 CA ASP 53 -25.421 -8.926 -11.360 1.00 73.11 ATOM 836 HA ASP 53 -25.638 -9.059 -10.309 1.00 51.53 ATOM 837 CB ASP 53 -26.597 -9.471 -12.183 1.00 71.13 ATOM 838 HB1 ASP 53 -26.430 -9.251 -13.229 1.00 38.74 ATOM 839 HB2 ASP 53 -27.507 -8.983 -11.862 1.00 15.11 ATOM 840 CG ASP 53 -26.778 -10.969 -12.024 1.00 22.20 ATOM 841 OD1 ASP 53 -27.324 -11.400 -10.987 1.00 20.23 ATOM 842 OD2 ASP 53 -26.377 -11.725 -12.934 1.00 3.11 ATOM 843 C ASP 53 -24.128 -9.695 -11.698 1.00 14.31 ATOM 844 O ASP 53 -23.669 -10.536 -10.920 1.00 33.21 ATOM 845 N GLU 54 -23.548 -9.395 -12.859 1.00 10.44 ATOM 846 HN GLU 54 -23.994 -8.765 -13.463 1.00 38.74 ATOM 847 CA GLU 54 -22.269 -9.984 -13.266 1.00 45.04 ATOM 848 HA GLU 54 -22.406 -11.053 -13.344 1.00 24.13 ATOM 849 CB GLU 54 -21.845 -9.434 -14.638 1.00 51.24 ATOM 850 HB1 GLU 54 -20.836 -9.763 -14.849 1.00 38.74 ATOM 851 HB2 GLU 54 -21.856 -8.354 -14.594 1.00 1.22 ATOM 852 CG GLU 54 -22.743 -9.870 -15.793 1.00 34.33 ATOM 853 HG1 GLU 54 -22.474 -9.301 -16.673 1.00 38.74 ATOM 854 HG2 GLU 54 -23.770 -9.657 -15.533 1.00 15.04 ATOM 855 CD GLU 54 -22.621 -11.352 -16.113 1.00 32.24 ATOM 856 OE1 GLU 54 -23.345 -12.167 -15.502 1.00 52.33 ATOM 857 OE2 GLU 54 -21.799 -11.709 -16.979 1.00 71.21 ATOM 858 C GLU 54 -21.171 -9.700 -12.232 1.00 32.15 ATOM 859 O GLU 54 -20.423 -10.595 -11.842 1.00 35.02 ATOM 860 N LEU 55 -21.088 -8.451 -11.783 1.00 12.04 ATOM 861 HN LEU 55 -21.726 -7.781 -12.117 1.00 38.74 ATOM 862 CA LEU 55 -20.073 -8.045 -10.805 1.00 52.33 ATOM 863 HA LEU 55 -19.115 -8.384 -11.178 1.00 15.42 ATOM 864 CB LEU 55 -20.034 -6.516 -10.685 1.00 70.44 ATOM 865 HB1 LEU 55 -19.291 -6.255 -9.944 1.00 38.74 ATOM 866 HB2 LEU 55 -20.998 -6.177 -10.333 1.00 54.31 ATOM 867 CG LEU 55 -19.697 -5.763 -11.987 1.00 41.44 ATOM 868 HG LEU 55 -20.444 -5.996 -12.734 1.00 5.31 ATOM 869 CD1 LEU 55 -19.724 -4.254 -11.762 1.00 51.14 ATOM 870 HD11 LEU 55 -19.018 -3.989 -10.987 1.00 22.40 ATOM 871 HD12 LEU 55 -20.717 -3.951 -11.463 1.00 41.41 ATOM 872 HD13 LEU 55 -19.457 -3.747 -12.678 1.00 24.44 ATOM 873 CD2 LEU 55 -18.337 -6.203 -12.530 1.00 61.12 ATOM 874 HD21 LEU 55 -17.570 -6.001 -11.795 1.00 31.00 ATOM 875 HD22 LEU 55 -18.118 -5.659 -13.437 1.00 30.51 ATOM 876 HD23 LEU 55 -18.360 -7.262 -12.744 1.00 60.43 ATOM 877 C LEU 55 -20.309 -8.693 -9.425 1.00 34.15 ATOM 878 O LEU 55 -19.367 -8.896 -8.662 1.00 42.31 ATOM 879 N GLU 56 -21.567 -9.012 -9.105 1.00 43.10 ATOM 880 HN GLU 56 -22.296 -8.743 -9.706 1.00 38.74 ATOM 881 CA GLU 56 -21.885 -9.742 -7.866 1.00 41.35 ATOM 882 HA GLU 56 -21.319 -9.291 -7.062 1.00 13.22 ATOM 883 CB GLU 56 -23.384 -9.648 -7.531 1.00 54.51 ATOM 884 HB1 GLU 56 -23.571 -10.196 -6.616 1.00 38.74 ATOM 885 HB2 GLU 56 -23.948 -10.108 -8.331 1.00 42.24 ATOM 886 CG GLU 56 -23.904 -8.224 -7.343 1.00 73.54 ATOM 887 HG1 GLU 56 -24.956 -8.273 -7.097 1.00 38.74 ATOM 888 HG2 GLU 56 -23.786 -7.690 -8.275 1.00 4.52 ATOM 889 CD GLU 56 -23.186 -7.450 -6.245 1.00 32.21 ATOM 890 OE1 GLU 56 -22.444 -6.496 -6.568 1.00 54.25 ATOM 891 OE2 GLU 56 -23.370 -7.783 -5.057 1.00 54.45 ATOM 892 C GLU 56 -21.477 -11.219 -7.984 1.00 44.52 ATOM 893 O GLU 56 -21.083 -11.854 -7.000 1.00 13.44 ATOM 894 N ALA 57 -21.589 -11.762 -9.195 1.00 63.12 ATOM 895 HN ALA 57 -21.969 -11.221 -9.921 1.00 38.74 ATOM 896 CA ALA 57 -21.182 -13.141 -9.472 1.00 14.42 ATOM 897 HA ALA 57 -21.577 -13.771 -8.687 1.00 64.52 ATOM 898 CB ALA 57 -21.779 -13.605 -10.794 1.00 33.13 ATOM 899 HB1 ALA 57 -21.398 -12.992 -11.600 1.00 12.42 ATOM 900 HB2 ALA 57 -22.855 -13.516 -10.754 1.00 11.04 ATOM 901 HB3 ALA 57 -21.512 -14.637 -10.970 1.00 4.35 ATOM 902 C ALA 57 -19.653 -13.285 -9.499 1.00 50.31 ATOM 903 O ALA 57 -19.101 -14.288 -9.035 1.00 44.25 ATOM 904 N LYS 58 -18.973 -12.283 -10.053 1.00 53.01 ATOM 905 HN LYS 58 -19.468 -11.524 -10.433 1.00 38.74 ATOM 906 CA LYS 58 -17.511 -12.273 -10.108 1.00 71.43 ATOM 907 HA LYS 58 -17.176 -13.282 -10.316 1.00 3.05 ATOM 908 CB LYS 58 -17.043 -11.346 -11.237 1.00 63.34 ATOM 909 HB1 LYS 58 -15.967 -11.424 -11.331 1.00 38.74 ATOM 910 HB2 LYS 58 -17.299 -10.327 -10.982 1.00 52.53 ATOM 911 CG LYS 58 -17.668 -11.674 -12.591 1.00 42.15 ATOM 912 HG1 LYS 58 -18.737 -11.771 -12.467 1.00 38.74 ATOM 913 HG2 LYS 58 -17.263 -12.611 -12.946 1.00 21.32 ATOM 914 CD LYS 58 -17.388 -10.590 -13.627 1.00 53.35 ATOM 915 HD1 LYS 58 -16.328 -10.577 -13.840 1.00 38.74 ATOM 916 HD2 LYS 58 -17.684 -9.633 -13.221 1.00 51.44 ATOM 917 CE LYS 58 -18.150 -10.829 -14.927 1.00 51.40 ATOM 918 HE1 LYS 58 -17.987 -9.984 -15.583 1.00 38.74 ATOM 919 HE2 LYS 58 -19.204 -10.908 -14.704 1.00 64.42 ATOM 920 NZ LYS 58 -17.713 -12.067 -15.623 1.00 25.31 ATOM 921 HZ1 LYS 58 -17.846 -12.894 -15.008 1.00 41.20 ATOM 922 HZ2 LYS 58 -16.710 -12.001 -15.880 1.00 23.44 ATOM 923 HZ3 LYS 58 -18.269 -12.204 -16.491 1.00 41.15 ATOM 924 C LYS 58 -16.932 -11.826 -8.754 1.00 15.20 ATOM 925 O LYS 58 -16.708 -10.641 -8.514 1.00 4.41 ATOM 926 N HIS 59 -16.696 -12.793 -7.874 1.00 50.24 ATOM 927 HN HIS 59 -16.752 -13.725 -8.174 1.00 38.74 ATOM 928 CA HIS 59 -16.351 -12.517 -6.473 1.00 45.52 ATOM 929 HA HIS 59 -17.029 -11.751 -6.124 1.00 14.22 ATOM 930 CB HIS 59 -16.583 -13.777 -5.631 1.00 70.05 ATOM 931 HB1 HIS 59 -16.172 -13.627 -4.642 1.00 38.74 ATOM 932 HB2 HIS 59 -16.085 -14.614 -6.100 1.00 61.03 ATOM 933 CG HIS 59 -18.035 -14.126 -5.484 1.00 30.04 ATOM 934 ND1 HIS 59 -18.724 -14.922 -6.378 1.00 64.54 ATOM 935 HD1 HIS 59 -18.353 -15.333 -7.187 1.00 4.13 ATOM 936 CD2 HIS 59 -18.936 -13.775 -4.535 1.00 65.03 ATOM 937 HD2 HIS 59 -18.748 -13.155 -3.669 1.00 14.34 ATOM 938 CE1 HIS 59 -19.977 -15.041 -5.986 1.00 51.11 ATOM 939 HE1 HIS 59 -20.745 -15.608 -6.489 1.00 75.05 ATOM 940 NE2 HIS 59 -20.130 -14.356 -4.874 1.00 62.32 ATOM 941 HE2 HIS 59 -20.951 -14.330 -4.334 1.00 38.74 ATOM 942 C HIS 59 -14.915 -11.993 -6.279 1.00 60.21 ATOM 943 O HIS 59 -14.512 -11.698 -5.155 1.00 61.12 ATOM 944 N TRP 60 -14.149 -11.879 -7.360 1.00 43.44 ATOM 945 HN TRP 60 -14.492 -12.186 -8.221 1.00 38.74 ATOM 946 CA TRP 60 -12.796 -11.305 -7.281 1.00 73.11 ATOM 947 HA TRP 60 -12.451 -11.433 -6.263 1.00 54.40 ATOM 948 CB TRP 60 -11.832 -12.056 -8.217 1.00 41.42 ATOM 949 HB1 TRP 60 -11.776 -13.089 -7.901 1.00 38.74 ATOM 950 HB2 TRP 60 -10.850 -11.614 -8.137 1.00 74.12 ATOM 951 CG TRP 60 -12.224 -12.036 -9.666 1.00 60.11 ATOM 952 CD1 TRP 60 -13.230 -12.748 -10.255 1.00 63.14 ATOM 953 HD1 TRP 60 -13.890 -13.422 -9.726 1.00 10.20 ATOM 954 CD2 TRP 60 -11.600 -11.284 -10.715 1.00 15.34 ATOM 955 NE1 TRP 60 -13.274 -12.479 -11.599 1.00 22.14 ATOM 956 HE1 TRP 60 -13.912 -12.865 -12.238 1.00 4.12 ATOM 957 CE2 TRP 60 -12.283 -11.583 -11.906 1.00 54.11 ATOM 958 CE3 TRP 60 -10.530 -10.384 -10.757 1.00 10.40 ATOM 959 HE3 TRP 60 -9.980 -10.127 -9.862 1.00 71.32 ATOM 960 CZ2 TRP 60 -11.933 -11.012 -13.129 1.00 61.02 ATOM 961 HZ2 TRP 60 -12.462 -11.244 -14.040 1.00 54.12 ATOM 962 CZ3 TRP 60 -10.183 -9.819 -11.970 1.00 61.12 ATOM 963 HZ3 TRP 60 -9.359 -9.121 -12.020 1.00 43.11 ATOM 964 CH2 TRP 60 -10.882 -10.135 -13.141 1.00 64.21 ATOM 965 HH2 TRP 60 -10.576 -9.669 -14.068 1.00 14.02 ATOM 966 C TRP 60 -12.807 -9.793 -7.589 1.00 73.44 ATOM 967 O TRP 60 -11.759 -9.150 -7.644 1.00 44.21 ATOM 968 N ILE 61 -14.004 -9.240 -7.786 1.00 3.12 ATOM 969 HN ILE 61 -14.794 -9.819 -7.798 1.00 38.74 ATOM 970 CA ILE 61 -14.187 -7.793 -7.979 1.00 60.12 ATOM 971 HA ILE 61 -13.275 -7.389 -8.401 1.00 43.10 ATOM 972 CB ILE 61 -15.364 -7.495 -8.960 1.00 15.00 ATOM 973 HB ILE 61 -16.192 -8.138 -8.689 1.00 40.43 ATOM 974 CG1 ILE 61 -14.974 -7.782 -10.426 1.00 23.13 ATOM 975 HG11 ILE 61 -14.209 -7.082 -10.732 1.00 38.74 ATOM 976 HG12 ILE 61 -15.846 -7.644 -11.051 1.00 74.43 ATOM 977 CG2 ILE 61 -15.836 -6.049 -8.824 1.00 74.23 ATOM 978 HG21 ILE 61 -15.019 -5.378 -9.049 1.00 64.12 ATOM 979 HG22 ILE 61 -16.174 -5.872 -7.813 1.00 23.24 ATOM 980 HG23 ILE 61 -16.651 -5.866 -9.510 1.00 11.22 ATOM 981 CD1 ILE 61 -14.456 -9.178 -10.687 1.00 3.43 ATOM 982 HD11 ILE 61 -13.523 -9.322 -10.161 1.00 61.44 ATOM 983 HD12 ILE 61 -14.297 -9.311 -11.747 1.00 4.04 ATOM 984 HD13 ILE 61 -15.179 -9.901 -10.340 1.00 54.42 ATOM 985 C ILE 61 -14.460 -7.106 -6.626 1.00 21.34 ATOM 986 O ILE 61 -15.277 -7.581 -5.830 1.00 73.33 ATOM 987 N ALA 62 -13.797 -5.978 -6.374 1.00 42.32 ATOM 988 HN ALA 62 -13.239 -5.581 -7.080 1.00 38.74 ATOM 989 CA ALA 62 -13.905 -5.294 -5.080 1.00 74.15 ATOM 990 HA ALA 62 -14.068 -6.048 -4.321 1.00 14.53 ATOM 991 CB ALA 62 -12.602 -4.575 -4.751 1.00 62.23 ATOM 992 HB1 ALA 62 -12.636 -4.213 -3.734 1.00 4.03 ATOM 993 HB2 ALA 62 -12.472 -3.738 -5.424 1.00 13.11 ATOM 994 HB3 ALA 62 -11.772 -5.258 -4.863 1.00 71.31 ATOM 995 C ALA 62 -15.082 -4.305 -5.046 1.00 75.45 ATOM 996 O ALA 62 -15.763 -4.083 -6.050 1.00 44.10 ATOM 997 N GLU 63 -15.320 -3.712 -3.879 1.00 43.44 ATOM 998 HN GLU 63 -14.751 -3.928 -3.112 1.00 38.74 ATOM 999 CA GLU 63 -16.416 -2.753 -3.708 1.00 41.11 ATOM 1000 HA GLU 63 -17.313 -3.205 -4.110 1.00 62.53 ATOM 1001 CB GLU 63 -16.639 -2.458 -2.218 1.00 24.14 ATOM 1002 HB1 GLU 63 -15.728 -2.046 -1.803 1.00 38.74 ATOM 1003 HB2 GLU 63 -16.865 -3.386 -1.710 1.00 3.53 ATOM 1004 CG GLU 63 -17.776 -1.476 -1.949 1.00 31.55 ATOM 1005 HG1 GLU 63 -18.702 -1.917 -2.293 1.00 38.74 ATOM 1006 HG2 GLU 63 -17.590 -0.567 -2.505 1.00 74.33 ATOM 1007 CD GLU 63 -17.920 -1.125 -0.477 1.00 44.21 ATOM 1008 OE1 GLU 63 -18.661 -1.828 0.241 1.00 72.40 ATOM 1009 OE2 GLU 63 -17.294 -0.139 -0.030 1.00 73.32 ATOM 1010 C GLU 63 -16.149 -1.439 -4.462 1.00 42.54 ATOM 1011 O GLU 63 -16.958 -1.010 -5.285 1.00 65.41 ATOM 1012 N ALA 64 -15.006 -0.814 -4.182 1.00 42.21 ATOM 1013 HN ALA 64 -14.365 -1.248 -3.585 1.00 38.74 ATOM 1014 CA ALA 64 -14.680 0.507 -4.736 1.00 65.51 ATOM 1015 HA ALA 64 -15.406 1.211 -4.353 1.00 3.44 ATOM 1016 CB ALA 64 -13.307 0.945 -4.246 1.00 60.30 ATOM 1017 HB1 ALA 64 -13.288 0.932 -3.165 1.00 73.21 ATOM 1018 HB2 ALA 64 -13.100 1.946 -4.597 1.00 13.21 ATOM 1019 HB3 ALA 64 -12.555 0.268 -4.626 1.00 42.43 ATOM 1020 C ALA 64 -14.730 0.539 -6.274 1.00 3.35 ATOM 1021 O ALA 64 -15.371 1.415 -6.863 1.00 22.20 ATOM 1022 N ASP 65 -14.063 -0.417 -6.919 1.00 32.22 ATOM 1023 HN ASP 65 -13.568 -1.089 -6.399 1.00 38.74 ATOM 1024 CA ASP 65 -14.032 -0.487 -8.387 1.00 52.22 ATOM 1025 HA ASP 65 -13.765 0.496 -8.737 1.00 42.04 ATOM 1026 CB ASP 65 -12.953 -1.471 -8.862 1.00 3.02 ATOM 1027 HB1 ASP 65 -12.010 -0.948 -8.945 1.00 38.74 ATOM 1028 HB2 ASP 65 -13.225 -1.860 -9.835 1.00 5.33 ATOM 1029 CG ASP 65 -12.776 -2.632 -7.908 1.00 45.21 ATOM 1030 OD1 ASP 65 -13.338 -3.716 -8.159 1.00 45.35 ATOM 1031 OD2 ASP 65 -12.093 -2.439 -6.884 1.00 43.14 ATOM 1032 C ASP 65 -15.406 -0.848 -8.982 1.00 34.33 ATOM 1033 O ASP 65 -15.858 -0.217 -9.942 1.00 15.13 ATOM 1034 N ARG 66 -16.067 -1.854 -8.411 1.00 53.35 ATOM 1035 HN ARG 66 -15.631 -2.365 -7.689 1.00 38.74 ATOM 1036 CA ARG 66 -17.417 -2.243 -8.844 1.00 0.52 ATOM 1037 HA ARG 66 -17.346 -2.543 -9.881 1.00 31.23 ATOM 1038 CB ARG 66 -17.887 -3.451 -8.022 1.00 35.03 ATOM 1039 HB1 ARG 66 -17.502 -3.350 -7.016 1.00 38.74 ATOM 1040 HB2 ARG 66 -17.468 -4.343 -8.461 1.00 40.15 ATOM 1041 CG ARG 66 -19.395 -3.650 -7.931 1.00 63.12 ATOM 1042 HG1 ARG 66 -19.828 -3.524 -8.913 1.00 38.74 ATOM 1043 HG2 ARG 66 -19.807 -2.913 -7.256 1.00 43.02 ATOM 1044 CD ARG 66 -19.733 -5.050 -7.411 1.00 42.14 ATOM 1045 HD1 ARG 66 -19.777 -5.729 -8.253 1.00 38.74 ATOM 1046 HD2 ARG 66 -20.701 -5.016 -6.931 1.00 14.24 ATOM 1047 NE ARG 66 -18.745 -5.553 -6.448 1.00 44.52 ATOM 1048 HE ARG 66 -17.920 -5.041 -6.333 1.00 44.13 ATOM 1049 CZ ARG 66 -18.872 -6.668 -5.777 1.00 75.42 ATOM 1050 NH1 ARG 66 -19.970 -7.353 -5.837 1.00 63.33 ATOM 1051 HH11 ARG 66 -20.732 -7.031 -6.399 1.00 43.54 ATOM 1052 HH12 ARG 66 -20.056 -8.201 -5.327 1.00 42.11 ATOM 1053 NH2 ARG 66 -17.899 -7.088 -5.033 1.00 20.24 ATOM 1054 HH21 ARG 66 -17.052 -6.566 -4.977 1.00 31.01 ATOM 1055 HH22 ARG 66 -17.994 -7.935 -4.523 1.00 41.15 ATOM 1056 C ARG 66 -18.413 -1.073 -8.752 1.00 33.34 ATOM 1057 O ARG 66 -19.129 -0.786 -9.711 1.00 41.21 ATOM 1058 N ILE 67 -18.450 -0.388 -7.610 1.00 70.42 ATOM 1059 HN ILE 67 -17.884 -0.673 -6.862 1.00 38.74 ATOM 1060 CA ILE 67 -19.320 0.784 -7.450 1.00 11.40 ATOM 1061 HA ILE 67 -20.333 0.470 -7.667 1.00 42.43 ATOM 1062 CB ILE 67 -19.286 1.331 -5.997 1.00 45.31 ATOM 1063 HB ILE 67 -18.263 1.586 -5.759 1.00 42.41 ATOM 1064 CG1 ILE 67 -19.776 0.258 -5.008 1.00 73.15 ATOM 1065 HG11 ILE 67 -19.741 0.660 -4.004 1.00 38.74 ATOM 1066 HG12 ILE 67 -19.122 -0.598 -5.066 1.00 53.32 ATOM 1067 CG2 ILE 67 -20.127 2.601 -5.868 1.00 30.21 ATOM 1068 HG21 ILE 67 -21.149 2.388 -6.151 1.00 43.32 ATOM 1069 HG22 ILE 67 -19.728 3.369 -6.515 1.00 10.31 ATOM 1070 HG23 ILE 67 -20.103 2.949 -4.844 1.00 11.43 ATOM 1071 CD1 ILE 67 -21.194 -0.226 -5.265 1.00 64.21 ATOM 1072 HD11 ILE 67 -21.459 -0.969 -4.528 1.00 35.41 ATOM 1073 HD12 ILE 67 -21.253 -0.663 -6.251 1.00 24.41 ATOM 1074 HD13 ILE 67 -21.879 0.607 -5.200 1.00 61.12 ATOM 1075 C ILE 67 -18.933 1.899 -8.438 1.00 35.32 ATOM 1076 O ILE 67 -19.798 2.563 -9.009 1.00 11.22 ATOM 1077 N ASN 68 -17.628 2.077 -8.656 1.00 51.44 ATOM 1078 HN ASN 68 -16.984 1.523 -8.162 1.00 38.74 ATOM 1079 CA ASN 68 -17.126 3.077 -9.608 1.00 34.32 ATOM 1080 HA ASN 68 -17.424 4.052 -9.251 1.00 51.22 ATOM 1081 CB ASN 68 -15.597 3.021 -9.685 1.00 45.22 ATOM 1082 HB1 ASN 68 -15.293 2.030 -9.993 1.00 38.74 ATOM 1083 HB2 ASN 68 -15.183 3.231 -8.709 1.00 21.21 ATOM 1084 CG ASN 68 -15.032 4.027 -10.671 1.00 63.45 ATOM 1085 OD1 ASN 68 -15.498 5.158 -10.763 1.00 44.21 ATOM 1086 ND2 ASN 68 -14.048 3.615 -11.438 1.00 50.31 ATOM 1087 HD21 ASN 68 -13.734 2.694 -11.333 1.00 31.04 ATOM 1088 HD22 ASN 68 -13.682 4.242 -12.091 1.00 35.41 ATOM 1089 C ASN 68 -17.709 2.860 -11.015 1.00 31.52 ATOM 1090 O ASN 68 -18.371 3.740 -11.572 1.00 73.02 ATOM 1091 N VAL 69 -17.459 1.678 -11.583 1.00 24.31 ATOM 1092 HN VAL 69 -16.954 1.003 -11.078 1.00 38.74 ATOM 1093 CA VAL 69 -17.921 1.361 -12.938 1.00 62.12 ATOM 1094 HA VAL 69 -17.545 2.138 -13.593 1.00 22.52 ATOM 1095 CB VAL 69 -17.356 0.007 -13.439 1.00 5.51 ATOM 1096 HB VAL 69 -17.700 -0.149 -14.453 1.00 72.33 ATOM 1097 CG1 VAL 69 -15.828 0.047 -13.465 1.00 60.13 ATOM 1098 HG11 VAL 69 -15.499 0.850 -14.109 1.00 33.12 ATOM 1099 HG12 VAL 69 -15.446 -0.892 -13.840 1.00 12.14 ATOM 1100 HG13 VAL 69 -15.453 0.214 -12.464 1.00 35.32 ATOM 1101 CG2 VAL 69 -17.857 -1.155 -12.583 1.00 43.31 ATOM 1102 HG21 VAL 69 -18.937 -1.201 -12.631 1.00 64.20 ATOM 1103 HG22 VAL 69 -17.550 -1.009 -11.557 1.00 65.20 ATOM 1104 HG23 VAL 69 -17.443 -2.081 -12.954 1.00 12.21 ATOM 1105 C VAL 69 -19.454 1.362 -13.031 1.00 32.11 ATOM 1106 O VAL 69 -20.022 1.691 -14.074 1.00 70.55 ATOM 1107 N LEU 70 -20.122 1.007 -11.933 1.00 64.50 ATOM 1108 HN LEU 70 -19.624 0.675 -11.155 1.00 38.74 ATOM 1109 CA LEU 70 -21.584 1.093 -11.868 1.00 50.42 ATOM 1110 HA LEU 70 -21.976 0.585 -12.739 1.00 42.44 ATOM 1111 CB LEU 70 -22.124 0.397 -10.609 1.00 34.22 ATOM 1112 HB1 LEU 70 -23.171 0.649 -10.504 1.00 38.74 ATOM 1113 HB2 LEU 70 -21.593 0.787 -9.751 1.00 33.22 ATOM 1114 CG LEU 70 -21.999 -1.137 -10.598 1.00 15.14 ATOM 1115 HG LEU 70 -20.953 -1.404 -10.670 1.00 2.20 ATOM 1116 CD1 LEU 70 -22.539 -1.718 -9.292 1.00 51.23 ATOM 1117 HD11 LEU 70 -23.582 -1.457 -9.182 1.00 31.44 ATOM 1118 HD12 LEU 70 -21.980 -1.317 -8.460 1.00 34.04 ATOM 1119 HD13 LEU 70 -22.438 -2.794 -9.307 1.00 5.35 ATOM 1120 CD2 LEU 70 -22.720 -1.743 -11.802 1.00 63.34 ATOM 1121 HD21 LEU 70 -23.767 -1.474 -11.770 1.00 10.41 ATOM 1122 HD22 LEU 70 -22.623 -2.818 -11.777 1.00 1.41 ATOM 1123 HD23 LEU 70 -22.281 -1.366 -12.714 1.00 10.32 ATOM 1124 C LEU 70 -22.058 2.555 -11.908 1.00 2.23 ATOM 1125 O LEU 70 -23.055 2.869 -12.555 1.00 45.23 ATOM 1126 N ASN 71 -21.336 3.444 -11.224 1.00 23.32 ATOM 1127 HN ASN 71 -20.554 3.133 -10.717 1.00 38.74 ATOM 1128 CA ASN 71 -21.676 4.876 -11.207 1.00 35.42 ATOM 1129 HA ASN 71 -22.708 4.962 -10.895 1.00 21.03 ATOM 1130 CB ASN 71 -20.794 5.625 -10.203 1.00 63.44 ATOM 1131 HB1 ASN 71 -20.886 6.689 -10.373 1.00 38.74 ATOM 1132 HB2 ASN 71 -19.764 5.331 -10.349 1.00 22.01 ATOM 1133 CG ASN 71 -21.174 5.337 -8.765 1.00 10.14 ATOM 1134 OD1 ASN 71 -22.340 5.122 -8.449 1.00 31.12 ATOM 1135 ND2 ASN 71 -20.199 5.337 -7.883 1.00 4.24 ATOM 1136 HD21 ASN 71 -19.289 5.518 -8.196 1.00 72.44 ATOM 1137 HD22 ASN 71 -20.426 5.158 -6.950 1.00 43.11 ATOM 1138 C ASN 71 -21.531 5.514 -12.594 1.00 5.24 ATOM 1139 O ASN 71 -22.467 6.130 -13.101 1.00 1.54 ATOM 1140 N GLN 72 -20.360 5.354 -13.210 1.00 34.24 ATOM 1141 HN GLN 72 -19.644 4.859 -12.757 1.00 38.74 ATOM 1142 CA GLN 72 -20.114 5.921 -14.543 1.00 40.54 ATOM 1143 HA GLN 72 -20.322 6.982 -14.482 1.00 42.13 ATOM 1144 CB GLN 72 -18.642 5.738 -14.948 1.00 73.34 ATOM 1145 HB1 GLN 72 -18.025 6.288 -14.253 1.00 38.74 ATOM 1146 HB2 GLN 72 -18.499 6.147 -15.939 1.00 42.23 ATOM 1147 CG GLN 72 -18.173 4.287 -14.957 1.00 1.41 ATOM 1148 HG1 GLN 72 -18.699 3.761 -15.741 1.00 38.74 ATOM 1149 HG2 GLN 72 -18.418 3.840 -14.004 1.00 72.23 ATOM 1150 CD GLN 72 -16.675 4.133 -15.190 1.00 22.44 ATOM 1151 OE1 GLN 72 -16.225 3.153 -15.771 1.00 74.14 ATOM 1152 NE2 GLN 72 -15.888 5.088 -14.725 1.00 40.14 ATOM 1153 HE21 GLN 72 -16.298 5.847 -14.261 1.00 22.43 ATOM 1154 HE22 GLN 72 -14.925 4.989 -14.856 1.00 51.32 ATOM 1155 C GLN 72 -21.057 5.309 -15.593 1.00 21.23 ATOM 1156 O GLN 72 -21.542 6.008 -16.485 1.00 54.12 ATOM 1157 N ALA 73 -21.329 4.006 -15.476 1.00 45.22 ATOM 1158 HN ALA 73 -20.848 3.474 -14.806 1.00 38.74 ATOM 1159 CA ALA 73 -22.322 3.350 -16.333 1.00 22.42 ATOM 1160 HA ALA 73 -22.009 3.477 -17.361 1.00 53.45 ATOM 1161 CB ALA 73 -22.390 1.856 -16.035 1.00 24.10 ATOM 1162 HB1 ALA 73 -21.414 1.416 -16.175 1.00 11.13 ATOM 1163 HB2 ALA 73 -23.096 1.383 -16.704 1.00 41.20 ATOM 1164 HB3 ALA 73 -22.708 1.706 -15.013 1.00 22.12 ATOM 1165 C ALA 73 -23.702 3.995 -16.147 1.00 43.15 ATOM 1166 O ALA 73 -24.398 4.297 -17.118 1.00 65.44 ATOM 1167 N THR 74 -24.082 4.210 -14.887 1.00 0.14 ATOM 1168 HN THR 74 -23.506 3.894 -14.159 1.00 38.74 ATOM 1169 CA THR 74 -25.337 4.896 -14.556 1.00 51.45 ATOM 1170 HA THR 74 -26.150 4.315 -14.970 1.00 34.03 ATOM 1171 CB THR 74 -25.547 5.002 -13.023 1.00 4.04 ATOM 1172 HB THR 74 -24.696 5.515 -12.594 1.00 71.21 ATOM 1173 OG1 THR 74 -25.635 3.693 -12.446 1.00 11.23 ATOM 1174 HG1 THR 74 -24.785 3.446 -12.075 1.00 72.24 ATOM 1175 CG2 THR 74 -26.811 5.787 -12.679 1.00 52.34 ATOM 1176 HG21 THR 74 -27.667 5.311 -13.135 1.00 5.20 ATOM 1177 HG22 THR 74 -26.724 6.798 -13.050 1.00 4.53 ATOM 1178 HG23 THR 74 -26.941 5.809 -11.606 1.00 64.34 ATOM 1179 C THR 74 -25.377 6.303 -15.165 1.00 32.44 ATOM 1180 O THR 74 -26.407 6.733 -15.680 1.00 1.50 ATOM 1181 N GLU 75 -24.249 7.014 -15.114 1.00 60.10 ATOM 1182 HN GLU 75 -23.465 6.635 -14.662 1.00 38.74 ATOM 1183 CA GLU 75 -24.153 8.350 -15.717 1.00 32.14 ATOM 1184 HA GLU 75 -24.914 8.970 -15.264 1.00 55.54 ATOM 1185 CB GLU 75 -22.779 8.982 -15.452 1.00 31.15 ATOM 1186 HB1 GLU 75 -22.729 9.931 -15.970 1.00 38.74 ATOM 1187 HB2 GLU 75 -22.017 8.329 -15.852 1.00 72.14 ATOM 1188 CG GLU 75 -22.468 9.226 -13.981 1.00 74.22 ATOM 1189 HG1 GLU 75 -22.313 8.274 -13.493 1.00 38.74 ATOM 1190 HG2 GLU 75 -23.310 9.728 -13.523 1.00 73.53 ATOM 1191 CD GLU 75 -21.223 10.081 -13.788 1.00 24.44 ATOM 1192 OE1 GLU 75 -21.365 11.317 -13.657 1.00 53.53 ATOM 1193 OE2 GLU 75 -20.103 9.532 -13.789 1.00 51.23 ATOM 1194 C GLU 75 -24.402 8.297 -17.230 1.00 54.10 ATOM 1195 O GLU 75 -25.116 9.135 -17.773 1.00 74.23 ATOM 1196 N VAL 76 -23.804 7.314 -17.905 1.00 5.33 ATOM 1197 HN VAL 76 -23.205 6.698 -17.423 1.00 38.74 ATOM 1198 CA VAL 76 -24.009 7.130 -19.349 1.00 35.55 ATOM 1199 HA VAL 76 -23.730 8.054 -19.841 1.00 12.44 ATOM 1200 CB VAL 76 -23.117 5.992 -19.912 1.00 62.41 ATOM 1201 HB VAL 76 -23.369 5.078 -19.392 1.00 23.52 ATOM 1202 CG1 VAL 76 -23.378 5.775 -21.403 1.00 43.05 ATOM 1203 HG11 VAL 76 -23.140 6.678 -21.948 1.00 33.32 ATOM 1204 HG12 VAL 76 -24.418 5.527 -21.555 1.00 62.32 ATOM 1205 HG13 VAL 76 -22.761 4.964 -21.763 1.00 30.03 ATOM 1206 CG2 VAL 76 -21.637 6.287 -19.660 1.00 23.41 ATOM 1207 HG21 VAL 76 -21.464 6.385 -18.598 1.00 44.42 ATOM 1208 HG22 VAL 76 -21.360 7.207 -20.156 1.00 35.04 ATOM 1209 HG23 VAL 76 -21.036 5.476 -20.046 1.00 75.22 ATOM 1210 C VAL 76 -25.485 6.828 -19.668 1.00 43.31 ATOM 1211 O VAL 76 -26.061 7.391 -20.601 1.00 73.21 ATOM 1212 N ILE 77 -26.091 5.940 -18.883 1.00 54.13 ATOM 1213 HN ILE 77 -25.567 5.487 -18.186 1.00 38.74 ATOM 1214 CA ILE 77 -27.514 5.612 -19.030 1.00 3.50 ATOM 1215 HA ILE 77 -27.667 5.246 -20.037 1.00 0.32 ATOM 1216 CB ILE 77 -27.929 4.493 -18.038 1.00 41.05 ATOM 1217 HB ILE 77 -27.681 4.824 -17.039 1.00 52.02 ATOM 1218 CG1 ILE 77 -27.150 3.199 -18.342 1.00 21.31 ATOM 1219 HG11 ILE 77 -26.090 3.404 -18.291 1.00 38.74 ATOM 1220 HG12 ILE 77 -27.397 2.863 -19.338 1.00 75.33 ATOM 1221 CG2 ILE 77 -29.437 4.245 -18.090 1.00 23.44 ATOM 1222 HG21 ILE 77 -29.961 5.156 -17.840 1.00 74.35 ATOM 1223 HG22 ILE 77 -29.703 3.474 -17.380 1.00 52.23 ATOM 1224 HG23 ILE 77 -29.719 3.930 -19.085 1.00 71.25 ATOM 1225 CD1 ILE 77 -27.447 2.062 -17.386 1.00 63.01 ATOM 1226 HD11 ILE 77 -26.864 1.197 -17.664 1.00 41.23 ATOM 1227 HD12 ILE 77 -28.498 1.817 -17.431 1.00 5.42 ATOM 1228 HD13 ILE 77 -27.190 2.360 -16.380 1.00 0.43 ATOM 1229 C ILE 77 -28.400 6.852 -18.815 1.00 21.04 ATOM 1230 O ILE 77 -29.265 7.170 -19.638 1.00 31.51 ATOM 1231 N ASN 78 -28.169 7.555 -17.707 1.00 11.51 ATOM 1232 HN ASN 78 -27.496 7.230 -17.073 1.00 38.74 ATOM 1233 CA ASN 78 -28.896 8.790 -17.404 1.00 10.04 ATOM 1234 HA ASN 78 -29.951 8.556 -17.396 1.00 22.13 ATOM 1235 CB ASN 78 -28.500 9.330 -16.028 1.00 41.43 ATOM 1236 HB1 ASN 78 -29.004 10.271 -15.857 1.00 38.74 ATOM 1237 HB2 ASN 78 -27.432 9.492 -16.007 1.00 42.44 ATOM 1238 CG ASN 78 -28.860 8.385 -14.900 1.00 35.32 ATOM 1239 OD1 ASN 78 -29.778 7.580 -15.013 1.00 61.51 ATOM 1240 ND2 ASN 78 -28.160 8.494 -13.791 1.00 41.02 ATOM 1241 HD21 ASN 78 -27.452 9.169 -13.755 1.00 71.52 ATOM 1242 HD22 ASN 78 -28.384 7.900 -13.048 1.00 4.15 ATOM 1243 C ASN 78 -28.641 9.864 -18.468 1.00 44.34 ATOM 1244 O ASN 78 -29.523 10.664 -18.771 1.00 63.20 ATOM 1245 N PHE 79 -27.426 9.878 -19.016 1.00 73.23 ATOM 1246 HN PHE 79 -26.758 9.236 -18.697 1.00 38.74 ATOM 1247 CA PHE 79 -27.051 10.818 -20.078 1.00 21.11 ATOM 1248 HA PHE 79 -27.260 11.819 -19.725 1.00 2.21 ATOM 1249 CB PHE 79 -25.545 10.692 -20.370 1.00 2.41 ATOM 1250 HB1 PHE 79 -25.351 9.715 -20.792 1.00 38.74 ATOM 1251 HB2 PHE 79 -25.001 10.783 -19.441 1.00 52.44 ATOM 1252 CG PHE 79 -24.999 11.727 -21.319 1.00 53.11 ATOM 1253 CD1 PHE 79 -24.595 11.375 -22.600 1.00 75.34 ATOM 1254 HD1 PHE 79 -24.683 10.347 -22.921 1.00 64.05 ATOM 1255 CD2 PHE 79 -24.877 13.053 -20.924 1.00 33.34 ATOM 1256 HD2 PHE 79 -25.190 13.341 -19.931 1.00 13.24 ATOM 1257 CE1 PHE 79 -24.080 12.323 -23.463 1.00 3.31 ATOM 1258 HE1 PHE 79 -23.770 12.036 -24.457 1.00 3.10 ATOM 1259 CE2 PHE 79 -24.366 14.003 -21.784 1.00 51.22 ATOM 1260 HE2 PHE 79 -24.276 15.030 -21.463 1.00 24.40 ATOM 1261 CZ PHE 79 -23.966 13.638 -23.055 1.00 25.10 ATOM 1262 HZ PHE 79 -23.564 14.379 -23.729 1.00 11.25 ATOM 1263 C PHE 79 -27.874 10.557 -21.348 1.00 35.25 ATOM 1264 O PHE 79 -28.455 11.475 -21.926 1.00 71.14 ATOM 1265 N TRP 80 -27.933 9.293 -21.764 1.00 63.10 ATOM 1266 HN TRP 80 -27.414 8.612 -21.283 1.00 38.74 ATOM 1267 CA TRP 80 -28.742 8.885 -22.919 1.00 21.12 ATOM 1268 HA TRP 80 -28.359 9.400 -23.789 1.00 43.22 ATOM 1269 CB TRP 80 -28.607 7.369 -23.134 1.00 62.24 ATOM 1270 HB1 TRP 80 -28.982 6.854 -22.259 1.00 38.74 ATOM 1271 HB2 TRP 80 -27.562 7.125 -23.261 1.00 25.25 ATOM 1272 CG TRP 80 -29.349 6.848 -24.332 1.00 41.00 ATOM 1273 CD1 TRP 80 -28.900 6.810 -25.621 1.00 3.22 ATOM 1274 HD1 TRP 80 -27.931 7.169 -25.938 1.00 43.13 ATOM 1275 CD2 TRP 80 -30.668 6.282 -24.350 1.00 43.12 ATOM 1276 NE1 TRP 80 -29.856 6.260 -26.438 1.00 61.15 ATOM 1277 HE1 TRP 80 -29.768 6.124 -27.407 1.00 32.52 ATOM 1278 CE2 TRP 80 -30.951 5.928 -25.681 1.00 41.13 ATOM 1279 CE3 TRP 80 -31.634 6.044 -23.368 1.00 65.35 ATOM 1280 HE3 TRP 80 -31.454 6.300 -22.335 1.00 55.43 ATOM 1281 CZ2 TRP 80 -32.161 5.346 -26.056 1.00 73.23 ATOM 1282 HZ2 TRP 80 -32.372 5.076 -27.080 1.00 3.53 ATOM 1283 CZ3 TRP 80 -32.835 5.467 -23.740 1.00 1.54 ATOM 1284 HZ3 TRP 80 -33.593 5.275 -22.994 1.00 62.45 ATOM 1285 CH2 TRP 80 -33.090 5.124 -25.074 1.00 35.34 ATOM 1286 HH2 TRP 80 -34.042 4.675 -25.320 1.00 55.53 ATOM 1287 C TRP 80 -30.223 9.269 -22.725 1.00 21.03 ATOM 1288 O TRP 80 -30.848 9.856 -23.611 1.00 61.22 ATOM 1289 N GLN 81 -30.772 8.932 -21.557 1.00 3.24 ATOM 1290 HN GLN 81 -30.235 8.423 -20.911 1.00 38.74 ATOM 1291 CA GLN 81 -32.154 9.291 -21.207 1.00 64.45 ATOM 1292 HA GLN 81 -32.807 8.882 -21.965 1.00 43.12 ATOM 1293 CB GLN 81 -32.524 8.680 -19.845 1.00 41.01 ATOM 1294 HB1 GLN 81 -31.833 9.052 -19.100 1.00 38.74 ATOM 1295 HB2 GLN 81 -32.422 7.606 -19.908 1.00 13.41 ATOM 1296 CG GLN 81 -33.944 8.996 -19.381 1.00 65.35 ATOM 1297 HG1 GLN 81 -34.643 8.592 -20.102 1.00 38.74 ATOM 1298 HG2 GLN 81 -34.065 10.070 -19.331 1.00 10.32 ATOM 1299 CD GLN 81 -34.261 8.408 -18.015 1.00 44.44 ATOM 1300 OE1 GLN 81 -34.731 7.283 -17.902 1.00 42.23 ATOM 1301 NE2 GLN 81 -34.006 9.166 -16.964 1.00 12.43 ATOM 1302 HE21 GLN 81 -33.632 10.056 -17.113 1.00 33.32 ATOM 1303 HE22 GLN 81 -34.205 8.801 -16.076 1.00 5.14 ATOM 1304 C GLN 81 -32.338 10.819 -21.161 1.00 42.24 ATOM 1305 O GLN 81 -33.361 11.352 -21.603 1.00 13.31 ATOM 1306 N ASP 82 -31.332 11.509 -20.629 1.00 12.02 ATOM 1307 HN ASP 82 -30.550 11.019 -20.301 1.00 38.74 ATOM 1308 CA ASP 82 -31.341 12.972 -20.517 1.00 52.24 ATOM 1309 HA ASP 82 -32.179 13.257 -19.898 1.00 33.55 ATOM 1310 CB ASP 82 -30.038 13.430 -19.850 1.00 2.11 ATOM 1311 HB1 ASP 82 -29.222 13.310 -20.549 1.00 38.74 ATOM 1312 HB2 ASP 82 -29.852 12.809 -18.986 1.00 12.52 ATOM 1313 CG ASP 82 -30.078 14.873 -19.397 1.00 3.25 ATOM 1314 OD1 ASP 82 -29.610 15.751 -20.146 1.00 0.24 ATOM 1315 OD2 ASP 82 -30.579 15.133 -18.281 1.00 13.44 ATOM 1316 C ASP 82 -31.491 13.625 -21.901 1.00 51.40 ATOM 1317 O ASP 82 -32.312 14.527 -22.102 1.00 45.04 ATOM 1318 N LEU 83 -30.690 13.150 -22.853 1.00 25.41 ATOM 1319 HN LEU 83 -30.024 12.466 -22.614 1.00 38.74 ATOM 1320 CA LEU 83 -30.759 13.620 -24.238 1.00 71.11 ATOM 1321 HA LEU 83 -30.679 14.698 -24.230 1.00 62.53 ATOM 1322 CB LEU 83 -29.591 13.039 -25.049 1.00 72.03 ATOM 1323 HB1 LEU 83 -29.617 13.476 -26.039 1.00 38.74 ATOM 1324 HB2 LEU 83 -29.742 11.972 -25.144 1.00 73.14 ATOM 1325 CG LEU 83 -28.193 13.276 -24.458 1.00 61.40 ATOM 1326 HG LEU 83 -28.136 12.788 -23.494 1.00 15.42 ATOM 1327 CD1 LEU 83 -27.125 12.655 -25.350 1.00 52.41 ATOM 1328 HD11 LEU 83 -26.149 12.825 -24.917 1.00 21.11 ATOM 1329 HD12 LEU 83 -27.166 13.104 -26.332 1.00 1.44 ATOM 1330 HD13 LEU 83 -27.299 11.592 -25.432 1.00 53.42 ATOM 1331 CD2 LEU 83 -27.937 14.766 -24.243 1.00 42.54 ATOM 1332 HD21 LEU 83 -26.949 14.907 -23.830 1.00 4.03 ATOM 1333 HD22 LEU 83 -28.672 15.163 -23.556 1.00 64.13 ATOM 1334 HD23 LEU 83 -28.010 15.286 -25.188 1.00 10.11 ATOM 1335 C LEU 83 -32.090 13.223 -24.893 1.00 12.44 ATOM 1336 O LEU 83 -32.710 14.023 -25.593 1.00 32.52 ATOM 1337 N LYS 84 -32.522 11.982 -24.648 1.00 32.43 ATOM 1338 HN LYS 84 -31.991 11.406 -24.058 1.00 38.74 ATOM 1339 CA LYS 84 -33.759 11.446 -25.238 1.00 62.24 ATOM 1340 HA LYS 84 -33.641 11.449 -26.313 1.00 62.33 ATOM 1341 CB LYS 84 -33.986 9.999 -24.765 1.00 4.31 ATOM 1342 HB1 LYS 84 -34.205 10.009 -23.706 1.00 38.74 ATOM 1343 HB2 LYS 84 -33.077 9.435 -24.926 1.00 33.11 ATOM 1344 CG LYS 84 -35.128 9.276 -25.481 1.00 31.20 ATOM 1345 HG1 LYS 84 -36.022 9.879 -25.413 1.00 38.74 ATOM 1346 HG2 LYS 84 -35.299 8.324 -24.996 1.00 55.31 ATOM 1347 CD LYS 84 -34.804 9.033 -26.954 1.00 33.54 ATOM 1348 HD1 LYS 84 -33.868 8.493 -27.021 1.00 38.74 ATOM 1349 HD2 LYS 84 -34.702 9.988 -27.451 1.00 52.41 ATOM 1350 CE LYS 84 -35.891 8.229 -27.663 1.00 25.24 ATOM 1351 HE1 LYS 84 -36.063 7.314 -27.111 1.00 38.74 ATOM 1352 HE2 LYS 84 -35.548 7.985 -28.657 1.00 44.32 ATOM 1353 NZ LYS 84 -37.174 8.978 -27.769 1.00 52.50 ATOM 1354 HZ1 LYS 84 -37.018 9.891 -28.245 1.00 71.15 ATOM 1355 HZ2 LYS 84 -37.573 9.156 -26.827 1.00 64.41 ATOM 1356 HZ3 LYS 84 -37.863 8.430 -28.324 1.00 61.13 ATOM 1357 C LYS 84 -34.982 12.306 -24.873 1.00 22.33 ATOM 1358 O LYS 84 -35.786 12.658 -25.736 1.00 11.53 ATOM 1359 N ASN 85 -35.115 12.644 -23.593 1.00 4.35 ATOM 1360 HN ASN 85 -34.445 12.335 -22.945 1.00 38.74 ATOM 1361 CA ASN 85 -36.243 13.460 -23.126 1.00 63.24 ATOM 1362 HA ASN 85 -37.150 12.993 -23.483 1.00 21.52 ATOM 1363 CB ASN 85 -36.281 13.497 -21.593 1.00 25.12 ATOM 1364 HB1 ASN 85 -37.073 14.161 -21.275 1.00 38.74 ATOM 1365 HB2 ASN 85 -35.337 13.868 -21.223 1.00 4.13 ATOM 1366 CG ASN 85 -36.530 12.130 -20.981 1.00 25.52 ATOM 1367 OD1 ASN 85 -37.146 11.262 -21.594 1.00 63.52 ATOM 1368 ND2 ASN 85 -36.081 11.934 -19.759 1.00 24.30 ATOM 1369 HD21 ASN 85 -35.618 12.674 -19.310 1.00 23.22 ATOM 1370 HD22 ASN 85 -36.233 11.061 -19.350 1.00 21.44 ATOM 1371 C ASN 85 -36.182 14.892 -23.683 1.00 45.25 ATOM 1372 O ASN 85 -37.199 15.448 -24.103 1.00 33.33 ATOM 1373 N GLN 86 -34.990 15.480 -23.693 1.00 13.41 ATOM 1374 HN GLN 86 -34.208 14.979 -23.370 1.00 38.74 ATOM 1375 CA GLN 86 -34.811 16.863 -24.161 1.00 12.12 ATOM 1376 HA GLN 86 -35.721 17.406 -23.946 1.00 34.02 ATOM 1377 CB GLN 86 -33.660 17.518 -23.396 1.00 61.20 ATOM 1378 HB1 GLN 86 -33.531 18.531 -23.753 1.00 38.74 ATOM 1379 HB2 GLN 86 -32.752 16.962 -23.588 1.00 1.20 ATOM 1380 CG GLN 86 -33.882 17.565 -21.891 1.00 53.54 ATOM 1381 HG1 GLN 86 -34.077 16.563 -21.535 1.00 38.74 ATOM 1382 HG2 GLN 86 -34.738 18.191 -21.683 1.00 40.21 ATOM 1383 CD GLN 86 -32.685 18.119 -21.146 1.00 71.30 ATOM 1384 OE1 GLN 86 -32.585 19.314 -20.899 1.00 53.12 ATOM 1385 NE2 GLN 86 -31.761 17.253 -20.803 1.00 1.03 ATOM 1386 HE21 GLN 86 -31.897 16.313 -21.040 1.00 60.34 ATOM 1387 HE22 GLN 86 -30.971 17.583 -20.331 1.00 74.41 ATOM 1388 C GLN 86 -34.543 16.939 -25.672 1.00 74.25 ATOM 1389 O GLN 86 -34.319 18.020 -26.212 1.00 42.13 ATOM 1390 N ASN 87 -34.548 15.786 -26.344 1.00 54.23 ATOM 1391 HN ASN 87 -34.681 14.951 -25.846 1.00 38.74 ATOM 1392 CA ASN 87 -34.350 15.716 -27.802 1.00 10.40 ATOM 1393 HA ASN 87 -34.417 14.676 -28.086 1.00 41.52 ATOM 1394 CB ASN 87 -35.457 16.492 -28.529 1.00 74.33 ATOM 1395 HB1 ASN 87 -35.280 16.448 -29.596 1.00 38.74 ATOM 1396 HB2 ASN 87 -35.438 17.524 -28.208 1.00 41.32 ATOM 1397 CG ASN 87 -36.834 15.926 -28.247 1.00 72.12 ATOM 1398 OD1 ASN 87 -37.331 15.080 -28.977 1.00 71.10 ATOM 1399 ND2 ASN 87 -37.460 16.384 -27.185 1.00 33.51 ATOM 1400 HD21 ASN 87 -37.011 17.061 -26.640 1.00 44.24 ATOM 1401 HD22 ASN 87 -38.344 16.020 -26.981 1.00 52.15 ATOM 1402 C ASN 87 -32.968 16.243 -28.233 1.00 64.32 ATOM 1403 O ASN 87 -32.758 16.566 -29.406 1.00 40.50 ATOM 1404 N LYS 88 -32.023 16.305 -27.290 1.00 3.32 ATOM 1405 HN LYS 88 -32.242 16.012 -26.382 1.00 38.74 ATOM 1406 CA LYS 88 -30.667 16.785 -27.582 1.00 24.32 ATOM 1407 HA LYS 88 -30.757 17.718 -28.120 1.00 31.21 ATOM 1408 CB LYS 88 -29.882 17.034 -26.284 1.00 13.13 ATOM 1409 HB1 LYS 88 -28.868 17.313 -26.541 1.00 38.74 ATOM 1410 HB2 LYS 88 -29.854 16.116 -25.716 1.00 14.14 ATOM 1411 CG LYS 88 -30.465 18.127 -25.391 1.00 25.33 ATOM 1412 HG1 LYS 88 -31.473 17.852 -25.115 1.00 38.74 ATOM 1413 HG2 LYS 88 -30.482 19.058 -25.940 1.00 32.35 ATOM 1414 CD LYS 88 -29.633 18.311 -24.121 1.00 62.10 ATOM 1415 HD1 LYS 88 -28.625 18.585 -24.403 1.00 38.74 ATOM 1416 HD2 LYS 88 -29.610 17.376 -23.579 1.00 3.03 ATOM 1417 CE LYS 88 -30.203 19.391 -23.207 1.00 61.24 ATOM 1418 HE1 LYS 88 -29.633 19.405 -22.289 1.00 38.74 ATOM 1419 HE2 LYS 88 -31.232 19.151 -22.983 1.00 20.02 ATOM 1420 NZ LYS 88 -30.152 20.741 -23.824 1.00 11.42 ATOM 1421 HZ1 LYS 88 -30.580 21.439 -23.186 1.00 41.43 ATOM 1422 HZ2 LYS 88 -30.674 20.749 -24.723 1.00 53.04 ATOM 1423 HZ3 LYS 88 -29.164 21.017 -24.006 1.00 2.10 ATOM 1424 C LYS 88 -29.905 15.786 -28.464 1.00 31.50 ATOM 1425 O LYS 88 -29.212 14.898 -27.964 1.00 4.54 ATOM 1426 N GLN 89 -30.049 15.928 -29.776 1.00 23.51 ATOM 1427 HN GLN 89 -30.635 16.642 -30.114 1.00 38.74 ATOM 1428 CA GLN 89 -29.374 15.043 -30.734 1.00 11.43 ATOM 1429 HA GLN 89 -29.396 14.041 -30.329 1.00 0.01 ATOM 1430 CB GLN 89 -30.135 15.053 -32.072 1.00 75.41 ATOM 1431 HB1 GLN 89 -29.655 14.362 -32.752 1.00 38.74 ATOM 1432 HB2 GLN 89 -30.087 16.049 -32.493 1.00 40.21 ATOM 1433 CG GLN 89 -31.606 14.655 -31.940 1.00 24.25 ATOM 1434 HG1 GLN 89 -32.072 15.291 -31.199 1.00 38.74 ATOM 1435 HG2 GLN 89 -31.659 13.628 -31.609 1.00 71.40 ATOM 1436 CD GLN 89 -32.378 14.783 -33.242 1.00 41.12 ATOM 1437 OE1 GLN 89 -32.922 15.838 -33.554 1.00 14.50 ATOM 1438 NE2 GLN 89 -32.451 13.709 -34.003 1.00 42.14 ATOM 1439 HE21 GLN 89 -32.010 12.891 -33.696 1.00 44.22 ATOM 1440 HE22 GLN 89 -32.954 13.775 -34.840 1.00 70.01 ATOM 1441 C GLN 89 -27.905 15.460 -30.930 1.00 42.32 ATOM 1442 O GLN 89 -27.477 15.792 -32.041 1.00 31.13 ATOM 1443 N ILE 90 -27.138 15.426 -29.838 1.00 31.53 ATOM 1444 HN ILE 90 -27.520 15.075 -29.007 1.00 38.74 ATOM 1445 CA ILE 90 -25.743 15.882 -29.842 1.00 72.24 ATOM 1446 HA ILE 90 -25.697 16.796 -30.421 1.00 74.34 ATOM 1447 CB ILE 90 -25.247 16.201 -28.409 1.00 74.34 ATOM 1448 HB ILE 90 -24.252 16.621 -28.483 1.00 11.45 ATOM 1449 CG1 ILE 90 -25.189 14.924 -27.553 1.00 34.33 ATOM 1450 HG11 ILE 90 -24.574 14.188 -28.053 1.00 38.74 ATOM 1451 HG12 ILE 90 -26.187 14.530 -27.436 1.00 53.11 ATOM 1452 CG2 ILE 90 -26.151 17.249 -27.756 1.00 62.10 ATOM 1453 HG21 ILE 90 -25.777 17.488 -26.769 1.00 43.22 ATOM 1454 HG22 ILE 90 -27.155 16.859 -27.673 1.00 72.42 ATOM 1455 HG23 ILE 90 -26.163 18.144 -28.362 1.00 25.32 ATOM 1456 CD1 ILE 90 -24.614 15.143 -26.170 1.00 61.01 ATOM 1457 HD11 ILE 90 -24.606 14.206 -25.633 1.00 52.13 ATOM 1458 HD12 ILE 90 -25.222 15.857 -25.635 1.00 41.23 ATOM 1459 HD13 ILE 90 -23.605 15.519 -26.254 1.00 4.20 ATOM 1460 C ILE 90 -24.797 14.855 -30.484 1.00 14.23 ATOM 1461 O ILE 90 -25.217 13.775 -30.909 1.00 64.13 ATOM 1462 N SER 91 -23.514 15.202 -30.546 1.00 60.24 ATOM 1463 HN SER 91 -23.235 16.053 -30.149 1.00 38.74 ATOM 1464 CA SER 91 -22.500 14.350 -31.188 1.00 1.14 ATOM 1465 HA SER 91 -23.011 13.680 -31.865 1.00 64.02 ATOM 1466 CB SER 91 -21.516 15.209 -31.995 1.00 13.42 ATOM 1467 HB1 SER 91 -22.065 15.813 -32.704 1.00 38.74 ATOM 1468 HB2 SER 91 -20.832 14.564 -32.528 1.00 42.14 ATOM 1469 OG SER 91 -20.763 16.067 -31.150 1.00 31.53 ATOM 1470 HG SER 91 -21.198 16.926 -31.094 1.00 30.03 ATOM 1471 C SER 91 -21.714 13.511 -30.168 1.00 23.40 ATOM 1472 O SER 91 -21.738 13.776 -28.962 1.00 74.32 ATOM 1473 N MET 92 -21.010 12.497 -30.675 1.00 25.35 ATOM 1474 HN MET 92 -21.076 12.315 -31.637 1.00 38.74 ATOM 1475 CA MET 92 -20.157 11.631 -29.852 1.00 33.05 ATOM 1476 HA MET 92 -20.794 11.108 -29.152 1.00 40.54 ATOM 1477 CB MET 92 -19.457 10.600 -30.752 1.00 71.01 ATOM 1478 HB1 MET 92 -18.937 11.126 -31.542 1.00 38.74 ATOM 1479 HB2 MET 92 -20.206 9.961 -31.195 1.00 22.11 ATOM 1480 CG MET 92 -18.449 9.718 -30.026 1.00 72.25 ATOM 1481 HG1 MET 92 -18.967 9.154 -29.262 1.00 38.74 ATOM 1482 HG2 MET 92 -17.705 10.349 -29.561 1.00 42.34 ATOM 1483 SD MET 92 -17.613 8.560 -31.129 1.00 13.34 ATOM 1484 CE MET 92 -16.421 7.830 -30.007 1.00 22.31 ATOM 1485 HE1 MET 92 -15.806 7.125 -30.545 1.00 71.34 ATOM 1486 HE2 MET 92 -16.943 7.319 -29.211 1.00 60.24 ATOM 1487 HE3 MET 92 -15.799 8.608 -29.588 1.00 63.51 ATOM 1488 C MET 92 -19.107 12.436 -29.063 1.00 34.55 ATOM 1489 O MET 92 -18.719 12.051 -27.956 1.00 54.20 ATOM 1490 N ALA 93 -18.664 13.557 -29.635 1.00 35.24 ATOM 1491 HN ALA 93 -19.042 13.829 -30.498 1.00 38.74 ATOM 1492 CA ALA 93 -17.622 14.391 -29.023 1.00 33.15 ATOM 1493 HA ALA 93 -16.708 13.809 -29.004 1.00 53.43 ATOM 1494 CB ALA 93 -17.372 15.627 -29.878 1.00 44.51 ATOM 1495 HB1 ALA 93 -17.123 15.324 -30.886 1.00 24.22 ATOM 1496 HB2 ALA 93 -16.551 16.193 -29.463 1.00 53.35 ATOM 1497 HB3 ALA 93 -18.260 16.242 -29.895 1.00 44.33 ATOM 1498 C ALA 93 -17.971 14.804 -27.585 1.00 21.02 ATOM 1499 O ALA 93 -17.169 14.619 -26.668 1.00 61.51 ATOM 1500 N GLU 94 -19.170 15.351 -27.388 1.00 15.01 ATOM 1501 HN GLU 94 -19.782 15.448 -28.149 1.00 38.74 ATOM 1502 CA GLU 94 -19.594 15.811 -26.058 1.00 14.41 ATOM 1503 HA GLU 94 -18.830 16.485 -25.695 1.00 65.45 ATOM 1504 CB GLU 94 -20.916 16.581 -26.152 1.00 72.45 ATOM 1505 HB1 GLU 94 -21.228 16.865 -25.158 1.00 38.74 ATOM 1506 HB2 GLU 94 -21.667 15.934 -26.586 1.00 72.11 ATOM 1507 CG GLU 94 -20.815 17.845 -27.006 1.00 51.51 ATOM 1508 HG1 GLU 94 -20.645 17.554 -28.034 1.00 38.74 ATOM 1509 HG2 GLU 94 -19.973 18.429 -26.661 1.00 41.45 ATOM 1510 CD GLU 94 -22.062 18.713 -26.946 1.00 51.45 ATOM 1511 OE1 GLU 94 -22.161 19.558 -26.029 1.00 23.34 ATOM 1512 OE2 GLU 94 -22.932 18.577 -27.826 1.00 52.40 ATOM 1513 C GLU 94 -19.714 14.643 -25.064 1.00 65.33 ATOM 1514 O GLU 94 -19.417 14.794 -23.877 1.00 34.21 ATOM 1515 N ALA 95 -20.137 13.478 -25.555 1.00 62.35 ATOM 1516 HN ALA 95 -20.437 13.434 -26.488 1.00 38.74 ATOM 1517 CA ALA 95 -20.166 12.263 -24.733 1.00 63.12 ATOM 1518 HA ALA 95 -20.799 12.453 -23.876 1.00 24.34 ATOM 1519 CB ALA 95 -20.768 11.104 -25.524 1.00 70.21 ATOM 1520 HB1 ALA 95 -20.813 10.223 -24.898 1.00 11.03 ATOM 1521 HB2 ALA 95 -20.154 10.899 -26.390 1.00 2.34 ATOM 1522 HB3 ALA 95 -21.766 11.367 -25.845 1.00 60.00 ATOM 1523 C ALA 95 -18.753 11.908 -24.244 1.00 64.44 ATOM 1524 O ALA 95 -18.540 11.614 -23.067 1.00 51.53 ATOM 1525 N GLN 96 -17.787 11.961 -25.163 1.00 34.11 ATOM 1526 HN GLN 96 -18.030 12.154 -26.095 1.00 38.74 ATOM 1527 CA GLN 96 -16.372 11.742 -24.831 1.00 65.31 ATOM 1528 HA GLN 96 -16.308 10.833 -24.250 1.00 51.25 ATOM 1529 CB GLN 96 -15.552 11.564 -26.122 1.00 60.12 ATOM 1530 HB1 GLN 96 -14.498 11.606 -25.878 1.00 38.74 ATOM 1531 HB2 GLN 96 -15.785 12.375 -26.800 1.00 22.34 ATOM 1532 CG GLN 96 -15.823 10.246 -26.839 1.00 62.05 ATOM 1533 HG1 GLN 96 -15.322 10.260 -27.797 1.00 38.74 ATOM 1534 HG2 GLN 96 -16.889 10.144 -26.994 1.00 53.23 ATOM 1535 CD GLN 96 -15.326 9.048 -26.046 1.00 14.23 ATOM 1536 OE1 GLN 96 -14.202 8.593 -26.222 1.00 34.34 ATOM 1537 NE2 GLN 96 -16.145 8.543 -25.150 1.00 52.24 ATOM 1538 HE21 GLN 96 -17.024 8.954 -25.041 1.00 73.22 ATOM 1539 HE22 GLN 96 -15.831 7.780 -24.619 1.00 1.33 ATOM 1540 C GLN 96 -15.805 12.898 -23.991 1.00 74.12 ATOM 1541 O GLN 96 -14.779 12.749 -23.323 1.00 30.21 ATOM 1542 N GLY 97 -16.475 14.047 -24.037 1.00 31.33 ATOM 1543 HN GLY 97 -17.234 14.133 -24.653 1.00 38.74 ATOM 1544 CA GLY 97 -16.090 15.181 -23.206 1.00 23.54 ATOM 1545 HA1 GLY 97 -16.644 16.051 -23.527 1.00 38.74 ATOM 1546 HA2 GLY 97 -15.035 15.372 -23.344 1.00 45.31 ATOM 1547 C GLY 97 -16.362 14.946 -21.722 1.00 71.24 ATOM 1548 O GLY 97 -15.525 15.257 -20.871 1.00 75.30 ATOM 1549 N LYS 98 -17.538 14.402 -21.407 1.00 5.53 ATOM 1550 HN LYS 98 -18.181 14.209 -22.125 1.00 38.74 ATOM 1551 CA LYS 98 -17.904 14.099 -20.016 1.00 45.42 ATOM 1552 HA LYS 98 -17.519 14.893 -19.391 1.00 41.11 ATOM 1553 CB LYS 98 -19.428 14.047 -19.857 1.00 21.23 ATOM 1554 HB1 LYS 98 -19.804 13.177 -20.378 1.00 38.74 ATOM 1555 HB2 LYS 98 -19.856 14.935 -20.302 1.00 52.31 ATOM 1556 CG LYS 98 -19.884 13.970 -18.401 1.00 2.13 ATOM 1557 HG1 LYS 98 -19.577 14.875 -17.893 1.00 38.74 ATOM 1558 HG2 LYS 98 -19.414 13.118 -17.930 1.00 44.15 ATOM 1559 CD LYS 98 -21.394 13.824 -18.283 1.00 12.52 ATOM 1560 HD1 LYS 98 -21.685 12.873 -18.703 1.00 38.74 ATOM 1561 HD2 LYS 98 -21.864 14.622 -18.838 1.00 31.05 ATOM 1562 CE LYS 98 -21.861 13.889 -16.830 1.00 42.23 ATOM 1563 HE1 LYS 98 -22.925 13.704 -16.800 1.00 38.74 ATOM 1564 HE2 LYS 98 -21.661 14.878 -16.443 1.00 13.13 ATOM 1565 NZ LYS 98 -21.173 12.889 -15.965 1.00 54.42 ATOM 1566 HZ1 LYS 98 -20.156 13.105 -15.905 1.00 45.03 ATOM 1567 HZ2 LYS 98 -21.284 11.935 -16.353 1.00 70.12 ATOM 1568 HZ3 LYS 98 -21.572 12.907 -15.002 1.00 3.22 ATOM 1569 C LYS 98 -17.296 12.765 -19.549 1.00 41.32 ATOM 1570 O LYS 98 -16.966 12.595 -18.373 1.00 22.33 ATOM 1571 N PHE 99 -17.149 11.819 -20.480 1.00 12.54 ATOM 1572 HN PHE 99 -17.396 12.024 -21.406 1.00 38.74 ATOM 1573 CA PHE 99 -16.639 10.478 -20.155 1.00 23.21 ATOM 1574 HA PHE 99 -16.470 10.433 -19.089 1.00 52.13 ATOM 1575 CB PHE 99 -17.682 9.415 -20.534 1.00 52.33 ATOM 1576 HB1 PHE 99 -17.337 8.448 -20.196 1.00 38.74 ATOM 1577 HB2 PHE 99 -17.786 9.392 -21.610 1.00 45.35 ATOM 1578 CG PHE 99 -19.049 9.652 -19.941 1.00 70.11 ATOM 1579 CD1 PHE 99 -20.088 10.139 -20.724 1.00 44.02 ATOM 1580 HD1 PHE 99 -19.913 10.343 -21.771 1.00 53.32 ATOM 1581 CD2 PHE 99 -19.294 9.393 -18.601 1.00 24.41 ATOM 1582 HD2 PHE 99 -18.495 9.014 -17.980 1.00 30.34 ATOM 1583 CE1 PHE 99 -21.339 10.360 -20.183 1.00 15.54 ATOM 1584 HE1 PHE 99 -22.138 10.742 -20.803 1.00 12.44 ATOM 1585 CE2 PHE 99 -20.544 9.611 -18.057 1.00 21.54 ATOM 1586 HE2 PHE 99 -20.722 9.405 -17.012 1.00 33.34 ATOM 1587 CZ PHE 99 -21.567 10.096 -18.847 1.00 25.44 ATOM 1588 HZ PHE 99 -22.545 10.269 -18.421 1.00 53.03 ATOM 1589 C PHE 99 -15.309 10.175 -20.877 1.00 51.33 ATOM 1590 O PHE 99 -15.276 9.391 -21.825 1.00 23.12 ATOM 1591 N PRO 100 -14.184 10.767 -20.423 1.00 74.12 ATOM 1592 CA PRO 100 -12.876 10.594 -21.088 1.00 52.05 ATOM 1593 HA PRO 100 -12.938 10.833 -22.141 1.00 45.25 ATOM 1594 CB PRO 100 -11.986 11.629 -20.380 1.00 65.33 ATOM 1595 HB1 PRO 100 -11.998 12.559 -20.930 1.00 38.74 ATOM 1596 HB2 PRO 100 -10.970 11.259 -20.316 1.00 41.23 ATOM 1597 CG PRO 100 -12.599 11.788 -19.029 1.00 53.24 ATOM 1598 HG1 PRO 100 -12.369 12.767 -18.630 1.00 38.74 ATOM 1599 HG2 PRO 100 -12.233 11.016 -18.365 1.00 55.14 ATOM 1600 CD PRO 100 -14.086 11.641 -19.235 1.00 41.54 ATOM 1601 HD1 PRO 100 -14.540 12.602 -19.428 1.00 38.74 ATOM 1602 HD2 PRO 100 -14.543 11.173 -18.374 1.00 41.34 ATOM 1603 C PRO 100 -12.299 9.175 -20.926 1.00 64.53 ATOM 1604 O PRO 100 -11.459 8.738 -21.717 1.00 54.11 ATOM 1605 N GLU 101 -12.753 8.458 -19.895 1.00 60.55 ATOM 1606 HN GLU 101 -13.432 8.851 -19.307 1.00 38.74 ATOM 1607 CA GLU 101 -12.263 7.099 -19.618 1.00 70.44 ATOM 1608 HA GLU 101 -11.340 6.963 -20.165 1.00 11.21 ATOM 1609 CB GLU 101 -11.970 6.933 -18.118 1.00 2.11 ATOM 1610 HB1 GLU 101 -11.625 5.922 -17.940 1.00 38.74 ATOM 1611 HB2 GLU 101 -12.886 7.091 -17.565 1.00 10.33 ATOM 1612 CG GLU 101 -10.916 7.899 -17.582 1.00 44.24 ATOM 1613 HG1 GLU 101 -11.310 8.906 -17.638 1.00 38.74 ATOM 1614 HG2 GLU 101 -10.032 7.828 -18.201 1.00 61.52 ATOM 1615 CD GLU 101 -10.526 7.607 -16.139 1.00 5.31 ATOM 1616 OE1 GLU 101 -11.220 8.088 -15.218 1.00 41.12 ATOM 1617 OE2 GLU 101 -9.522 6.896 -15.923 1.00 11.23 ATOM 1618 C GLU 101 -13.259 6.019 -20.078 1.00 54.24 ATOM 1619 O GLU 101 -13.013 4.824 -19.897 1.00 35.10 ATOM 1620 N VAL 102 -14.376 6.438 -20.676 1.00 73.10 ATOM 1621 HN VAL 102 -14.519 7.401 -20.805 1.00 38.74 ATOM 1622 CA VAL 102 -15.390 5.496 -21.169 1.00 45.22 ATOM 1623 HA VAL 102 -15.194 4.529 -20.722 1.00 33.23 ATOM 1624 CB VAL 102 -16.818 5.936 -20.757 1.00 20.15 ATOM 1625 HB VAL 102 -17.008 6.911 -21.184 1.00 53.21 ATOM 1626 CG1 VAL 102 -17.869 4.970 -21.300 1.00 53.33 ATOM 1627 HG11 VAL 102 -17.681 3.978 -20.914 1.00 32.21 ATOM 1628 HG12 VAL 102 -17.820 4.950 -22.380 1.00 22.34 ATOM 1629 HG13 VAL 102 -18.852 5.295 -20.991 1.00 51.13 ATOM 1630 CG2 VAL 102 -16.923 6.055 -19.235 1.00 60.42 ATOM 1631 HG21 VAL 102 -17.919 6.374 -18.963 1.00 4.55 ATOM 1632 HG22 VAL 102 -16.204 6.779 -18.878 1.00 25.02 ATOM 1633 HG23 VAL 102 -16.717 5.094 -18.782 1.00 44.33 ATOM 1634 C VAL 102 -15.309 5.358 -22.697 1.00 15.52 ATOM 1635 O VAL 102 -15.446 6.338 -23.431 1.00 54.15 ATOM 1636 N VAL 103 -15.090 4.136 -23.170 1.00 33.45 ATOM 1637 HN VAL 103 -15.091 3.377 -22.548 1.00 38.74 ATOM 1638 CA VAL 103 -14.867 3.888 -24.596 1.00 53.12 ATOM 1639 HA VAL 103 -14.380 4.761 -25.013 1.00 15.04 ATOM 1640 CB VAL 103 -13.929 2.673 -24.807 1.00 72.13 ATOM 1641 HB VAL 103 -14.426 1.796 -24.415 1.00 24.51 ATOM 1642 CG1 VAL 103 -13.655 2.434 -26.293 1.00 41.54 ATOM 1643 HG11 VAL 103 -13.166 3.300 -26.716 1.00 41.15 ATOM 1644 HG12 VAL 103 -14.588 2.262 -26.810 1.00 52.44 ATOM 1645 HG13 VAL 103 -13.017 1.569 -26.409 1.00 72.54 ATOM 1646 CG2 VAL 103 -12.626 2.863 -24.032 1.00 4.25 ATOM 1647 HG21 VAL 103 -12.846 2.980 -22.980 1.00 65.51 ATOM 1648 HG22 VAL 103 -12.116 3.745 -24.392 1.00 41.32 ATOM 1649 HG23 VAL 103 -11.992 1.999 -24.172 1.00 72.45 ATOM 1650 C VAL 103 -16.184 3.650 -25.352 1.00 42.24 ATOM 1651 O VAL 103 -16.777 2.577 -25.269 1.00 20.11 ATOM 1652 N PHE 104 -16.635 4.659 -26.090 1.00 10.13 ATOM 1653 HN PHE 104 -16.153 5.512 -26.072 1.00 38.74 ATOM 1654 CA PHE 104 -17.833 4.530 -26.928 1.00 44.12 ATOM 1655 HA PHE 104 -18.523 3.870 -26.420 1.00 43.31 ATOM 1656 CB PHE 104 -18.509 5.898 -27.125 1.00 64.05 ATOM 1657 HB1 PHE 104 -19.232 5.821 -27.927 1.00 38.74 ATOM 1658 HB2 PHE 104 -17.758 6.624 -27.400 1.00 23.11 ATOM 1659 CG PHE 104 -19.225 6.417 -25.899 1.00 51.43 ATOM 1660 CD1 PHE 104 -18.516 6.800 -24.770 1.00 75.32 ATOM 1661 HD1 PHE 104 -17.438 6.719 -24.769 1.00 22.44 ATOM 1662 CD2 PHE 104 -20.610 6.529 -25.880 1.00 0.15 ATOM 1663 HD2 PHE 104 -21.179 6.234 -26.751 1.00 40.11 ATOM 1664 CE1 PHE 104 -19.168 7.283 -23.652 1.00 52.33 ATOM 1665 HE1 PHE 104 -18.600 7.577 -22.780 1.00 12.33 ATOM 1666 CE2 PHE 104 -21.267 7.010 -24.762 1.00 62.21 ATOM 1667 HE2 PHE 104 -22.344 7.091 -24.759 1.00 51.31 ATOM 1668 CZ PHE 104 -20.544 7.387 -23.647 1.00 75.53 ATOM 1669 HZ PHE 104 -21.054 7.765 -22.774 1.00 3.40 ATOM 1670 C PHE 104 -17.485 3.914 -28.294 1.00 63.44 ATOM 1671 O PHE 104 -16.358 4.047 -28.779 1.00 14.24 ATOM 1672 N SER 105 -18.454 3.235 -28.904 1.00 61.43 ATOM 1673 HN SER 105 -19.326 3.147 -28.459 1.00 38.74 ATOM 1674 CA SER 105 -18.258 2.606 -30.222 1.00 10.01 ATOM 1675 HA SER 105 -17.430 3.106 -30.707 1.00 2.01 ATOM 1676 CB SER 105 -17.911 1.115 -30.066 1.00 52.13 ATOM 1677 HB1 SER 105 -17.797 0.670 -31.044 1.00 38.74 ATOM 1678 HB2 SER 105 -18.707 0.614 -29.535 1.00 32.24 ATOM 1679 OG SER 105 -16.701 0.935 -29.340 1.00 4.10 ATOM 1680 HG SER 105 -16.438 1.775 -28.943 1.00 44.23 ATOM 1681 C SER 105 -19.504 2.758 -31.105 1.00 23.54 ATOM 1682 O SER 105 -20.609 2.985 -30.606 1.00 42.54 ATOM 1683 N GLY 106 -19.320 2.609 -32.419 1.00 62.24 ATOM 1684 HN GLY 106 -18.424 2.396 -32.754 1.00 38.74 ATOM 1685 CA GLY 106 -20.423 2.772 -33.362 1.00 50.42 ATOM 1686 HA1 GLY 106 -20.213 3.621 -33.995 1.00 38.74 ATOM 1687 HA2 GLY 106 -21.334 2.969 -32.811 1.00 63.21 ATOM 1688 C GLY 106 -20.642 1.549 -34.247 1.00 0.42 ATOM 1689 O GLY 106 -19.746 0.720 -34.419 1.00 24.34 ATOM 1690 N SER 107 -21.833 1.450 -34.834 1.00 40.32 ATOM 1691 HN SER 107 -22.465 2.194 -34.747 1.00 38.74 ATOM 1692 CA SER 107 -22.231 0.258 -35.606 1.00 1.35 ATOM 1693 HA SER 107 -21.672 -0.584 -35.224 1.00 65.44 ATOM 1694 CB SER 107 -23.726 -0.023 -35.407 1.00 52.44 ATOM 1695 HB1 SER 107 -24.025 -0.843 -36.044 1.00 38.74 ATOM 1696 HB2 SER 107 -24.295 0.857 -35.663 1.00 0.13 ATOM 1697 OG SER 107 -24.005 -0.371 -34.063 1.00 52.14 ATOM 1698 HG SER 107 -24.505 0.337 -33.647 1.00 12.55 ATOM 1699 C SER 107 -21.933 0.392 -37.107 1.00 40.12 ATOM 1700 O SER 107 -22.412 -0.412 -37.910 1.00 50.22 ATOM 1701 N ASN 108 -21.140 1.390 -37.488 1.00 74.21 ATOM 1702 HN ASN 108 -20.781 1.999 -36.811 1.00 38.74 ATOM 1703 CA ASN 108 -20.791 1.595 -38.902 1.00 2.42 ATOM 1704 HA ASN 108 -21.575 1.148 -39.499 1.00 43.23 ATOM 1705 CB ASN 108 -20.725 3.094 -39.229 1.00 15.22 ATOM 1706 HB1 ASN 108 -21.683 3.546 -39.010 1.00 38.74 ATOM 1707 HB2 ASN 108 -20.511 3.219 -40.281 1.00 12.31 ATOM 1708 CG ASN 108 -19.657 3.821 -38.435 1.00 23.22 ATOM 1709 OD1 ASN 108 -18.512 3.925 -38.862 1.00 22.04 ATOM 1710 ND2 ASN 108 -20.021 4.344 -37.282 1.00 23.15 ATOM 1711 HD21 ASN 108 -20.953 4.246 -36.998 1.00 24.41 ATOM 1712 HD22 ASN 108 -19.340 4.815 -36.755 1.00 22.25 ATOM 1713 C ASN 108 -19.461 0.908 -39.263 1.00 23.44 ATOM 1714 O ASN 108 -19.105 0.806 -40.436 1.00 64.12 ATOM 1715 N LEU 109 -18.737 0.430 -38.252 1.00 21.43 ATOM 1716 HN LEU 109 -19.074 0.531 -37.339 1.00 38.74 ATOM 1717 CA LEU 109 -17.453 -0.255 -38.471 1.00 2.13 ATOM 1718 HA LEU 109 -16.895 0.320 -39.199 1.00 23.40 ATOM 1719 CB LEU 109 -16.640 -0.318 -37.164 1.00 31.03 ATOM 1720 HB1 LEU 109 -15.803 -0.986 -37.322 1.00 38.74 ATOM 1721 HB2 LEU 109 -17.270 -0.742 -36.393 1.00 15.45 ATOM 1722 CG LEU 109 -16.084 1.026 -36.649 1.00 53.33 ATOM 1723 HG LEU 109 -15.547 1.510 -37.453 1.00 61.03 ATOM 1724 CD1 LEU 109 -17.205 1.968 -36.211 1.00 14.53 ATOM 1725 HD11 LEU 109 -17.793 1.497 -35.436 1.00 3.10 ATOM 1726 HD12 LEU 109 -17.839 2.192 -37.057 1.00 75.11 ATOM 1727 HD13 LEU 109 -16.778 2.885 -35.831 1.00 14.41 ATOM 1728 CD2 LEU 109 -15.097 0.795 -35.506 1.00 71.31 ATOM 1729 HD21 LEU 109 -14.283 0.177 -35.854 1.00 44.44 ATOM 1730 HD22 LEU 109 -15.600 0.299 -34.688 1.00 0.12 ATOM 1731 HD23 LEU 109 -14.708 1.744 -35.168 1.00 24.12 ATOM 1732 C LEU 109 -17.661 -1.674 -39.028 1.00 0.04 ATOM 1733 O LEU 109 -18.793 -2.129 -39.186 1.00 44.20 ATOM 1734 N GLU 110 -16.560 -2.367 -39.326 1.00 54.44 ATOM 1735 HN GLU 110 -15.683 -1.944 -39.202 1.00 38.74 ATOM 1736 CA GLU 110 -16.620 -3.740 -39.847 1.00 14.50 ATOM 1737 HA GLU 110 -17.150 -3.710 -40.790 1.00 54.34 ATOM 1738 CB GLU 110 -15.191 -4.269 -40.095 1.00 55.44 ATOM 1739 HB1 GLU 110 -14.689 -4.368 -39.141 1.00 38.74 ATOM 1740 HB2 GLU 110 -14.656 -3.540 -40.688 1.00 12.53 ATOM 1741 CG GLU 110 -15.105 -5.619 -40.820 1.00 52.25 ATOM 1742 HG1 GLU 110 -14.084 -5.767 -41.147 1.00 38.74 ATOM 1743 HG2 GLU 110 -15.750 -5.586 -41.685 1.00 73.43 ATOM 1744 CD GLU 110 -15.509 -6.808 -39.955 1.00 22.40 ATOM 1745 OE1 GLU 110 -14.857 -7.040 -38.915 1.00 45.01 ATOM 1746 OE2 GLU 110 -16.472 -7.520 -40.311 1.00 45.22 ATOM 1747 C GLU 110 -17.384 -4.663 -38.884 1.00 13.04 ATOM 1748 O GLU 110 -18.253 -5.427 -39.301 1.00 51.32 ATOM 1749 N HIS 111 -17.057 -4.589 -37.595 1.00 62.35 ATOM 1750 HN HIS 111 -16.359 -3.956 -37.316 1.00 38.74 ATOM 1751 CA HIS 111 -17.716 -5.429 -36.589 1.00 32.33 ATOM 1752 HA HIS 111 -17.637 -6.456 -36.919 1.00 32.15 ATOM 1753 CB HIS 111 -17.020 -5.294 -35.228 1.00 41.23 ATOM 1754 HB1 HIS 111 -17.492 -5.968 -34.525 1.00 38.74 ATOM 1755 HB2 HIS 111 -17.135 -4.280 -34.873 1.00 70.24 ATOM 1756 CG HIS 111 -15.553 -5.605 -35.248 1.00 42.34 ATOM 1757 ND1 HIS 111 -14.957 -6.435 -36.177 1.00 72.52 ATOM 1758 HD1 HIS 111 -15.412 -6.899 -36.915 1.00 34.10 ATOM 1759 CD2 HIS 111 -14.554 -5.181 -34.438 1.00 75.52 ATOM 1760 HD2 HIS 111 -14.654 -4.514 -33.592 1.00 73.50 ATOM 1761 CE1 HIS 111 -13.663 -6.508 -35.933 1.00 14.54 ATOM 1762 HE1 HIS 111 -12.946 -7.089 -36.496 1.00 24.50 ATOM 1763 NE2 HIS 111 -13.394 -5.756 -34.886 1.00 43.01 ATOM 1764 HE2 HIS 111 -12.533 -5.743 -34.411 1.00 38.74 ATOM 1765 C HIS 111 -19.208 -5.075 -36.447 1.00 13.44 ATOM 1766 O HIS 111 -19.575 -4.174 -35.691 1.00 20.24 ATOM 1767 N HIS 112 -20.058 -5.773 -37.196 1.00 35.42 ATOM 1768 HN HIS 112 -19.700 -6.436 -37.829 1.00 38.74 ATOM 1769 CA HIS 112 -21.510 -5.577 -37.108 1.00 14.34 ATOM 1770 HA HIS 112 -21.687 -4.607 -36.662 1.00 45.11 ATOM 1771 CB HIS 112 -22.140 -5.599 -38.506 1.00 63.21 ATOM 1772 HB1 HIS 112 -23.215 -5.548 -38.407 1.00 38.74 ATOM 1773 HB2 HIS 112 -21.875 -6.522 -39.002 1.00 10.21 ATOM 1774 CG HIS 112 -21.705 -4.462 -39.380 1.00 41.44 ATOM 1775 ND1 HIS 112 -22.284 -3.214 -39.327 1.00 74.25 ATOM 1776 HD1 HIS 112 -23.018 -2.950 -38.735 1.00 12.41 ATOM 1777 CD2 HIS 112 -20.743 -4.383 -40.330 1.00 62.33 ATOM 1778 HD2 HIS 112 -20.084 -5.182 -40.643 1.00 44.44 ATOM 1779 CE1 HIS 112 -21.701 -2.420 -40.199 1.00 62.42 ATOM 1780 HE1 HIS 112 -21.952 -1.385 -40.373 1.00 62.20 ATOM 1781 NE2 HIS 112 -20.761 -3.099 -40.823 1.00 24.14 ATOM 1782 HE2 HIS 112 -20.024 -2.684 -41.320 1.00 38.74 ATOM 1783 C HIS 112 -22.161 -6.649 -36.219 1.00 64.33 ATOM 1784 O HIS 112 -21.702 -7.791 -36.170 1.00 34.23 ATOM 1785 N HIS 113 -23.233 -6.277 -35.519 1.00 44.10 ATOM 1786 HN HIS 113 -23.556 -5.354 -35.603 1.00 38.74 ATOM 1787 CA HIS 113 -23.942 -7.208 -34.627 1.00 64.41 ATOM 1788 HA HIS 113 -23.208 -7.645 -33.963 1.00 53.04 ATOM 1789 CB HIS 113 -24.986 -6.453 -33.781 1.00 15.23 ATOM 1790 HB1 HIS 113 -24.484 -5.687 -33.205 1.00 38.74 ATOM 1791 HB2 HIS 113 -25.459 -7.147 -33.102 1.00 74.40 ATOM 1792 CG HIS 113 -26.071 -5.789 -34.581 1.00 21.24 ATOM 1793 ND1 HIS 113 -26.004 -4.479 -35.005 1.00 11.12 ATOM 1794 HD1 HIS 113 -25.260 -3.862 -34.843 1.00 70.12 ATOM 1795 CD2 HIS 113 -27.263 -6.260 -35.026 1.00 23.22 ATOM 1796 HD2 HIS 113 -27.656 -7.255 -34.875 1.00 31.32 ATOM 1797 CE1 HIS 113 -27.098 -4.174 -35.671 1.00 63.13 ATOM 1798 HE1 HIS 113 -27.319 -3.216 -36.116 1.00 41.24 ATOM 1799 NE2 HIS 113 -27.878 -5.234 -35.700 1.00 45.41 ATOM 1800 HE2 HIS 113 -28.814 -5.231 -35.995 1.00 38.74 ATOM 1801 C HIS 113 -24.618 -8.342 -35.420 1.00 44.14 ATOM 1802 O HIS 113 -25.135 -8.122 -36.516 1.00 64.22 ATOM 1803 N HIS 114 -24.606 -9.554 -34.865 1.00 70.32 ATOM 1804 HN HIS 114 -24.166 -9.675 -33.995 1.00 38.74 ATOM 1805 CA HIS 114 -25.231 -10.714 -35.519 1.00 45.33 ATOM 1806 HA HIS 114 -25.870 -10.340 -36.308 1.00 72.13 ATOM 1807 CB HIS 114 -24.157 -11.618 -36.149 1.00 52.33 ATOM 1808 HB1 HIS 114 -23.674 -11.079 -36.954 1.00 38.74 ATOM 1809 HB2 HIS 114 -24.632 -12.500 -36.555 1.00 52.25 ATOM 1810 CG HIS 114 -23.090 -12.070 -35.193 1.00 52.01 ATOM 1811 ND1 HIS 114 -21.873 -11.438 -35.078 1.00 73.21 ATOM 1812 HD1 HIS 114 -21.584 -10.658 -35.595 1.00 51.43 ATOM 1813 CD2 HIS 114 -23.056 -13.100 -34.313 1.00 61.41 ATOM 1814 HD2 HIS 114 -23.843 -13.822 -34.140 1.00 33.51 ATOM 1815 CE1 HIS 114 -21.139 -12.052 -34.174 1.00 1.41 ATOM 1816 HE1 HIS 114 -20.136 -11.778 -33.883 1.00 11.43 ATOM 1817 NE2 HIS 114 -21.831 -13.064 -33.690 1.00 60.11 ATOM 1818 HE2 HIS 114 -21.614 -13.530 -32.855 1.00 38.74 ATOM 1819 C HIS 114 -26.098 -11.521 -34.538 1.00 61.30 ATOM 1820 O HIS 114 -25.659 -11.868 -33.443 1.00 31.44 ATOM 1821 N HIS 115 -27.336 -11.804 -34.935 1.00 65.22 ATOM 1822 HN HIS 115 -27.654 -11.440 -35.789 1.00 38.74 ATOM 1823 CA HIS 115 -28.243 -12.634 -34.129 1.00 1.31 ATOM 1824 HA HIS 115 -27.952 -12.527 -33.092 1.00 13.20 ATOM 1825 CB HIS 115 -29.691 -12.149 -34.289 1.00 12.55 ATOM 1826 HB1 HIS 115 -30.348 -12.809 -33.741 1.00 38.74 ATOM 1827 HB2 HIS 115 -29.959 -12.173 -35.336 1.00 54.22 ATOM 1828 CG HIS 115 -29.916 -10.748 -33.787 1.00 45.11 ATOM 1829 ND1 HIS 115 -30.377 -10.467 -32.518 1.00 63.32 ATOM 1830 HD1 HIS 115 -30.606 -11.131 -31.831 1.00 71.01 ATOM 1831 CD2 HIS 115 -29.743 -9.546 -34.390 1.00 21.40 ATOM 1832 HD2 HIS 115 -29.396 -9.378 -35.399 1.00 61.12 ATOM 1833 CE1 HIS 115 -30.477 -9.162 -32.363 1.00 10.33 ATOM 1834 HE1 HIS 115 -30.814 -8.655 -31.470 1.00 44.24 ATOM 1835 NE2 HIS 115 -30.099 -8.580 -33.481 1.00 45.21 ATOM 1836 HE2 HIS 115 -30.219 -7.625 -33.685 1.00 38.74 ATOM 1837 C HIS 115 -28.127 -14.119 -34.517 1.00 1.12 ATOM 1838 O HIS 115 -28.211 -15.004 -33.665 1.00 63.14 ATOM 1839 N HIS 116 -27.949 -14.382 -35.811 1.00 71.24 ATOM 1840 HN HIS 116 -27.958 -13.639 -36.449 1.00 38.74 ATOM 1841 HA HIS 116 -27.887 -16.432 -35.490 1.00 31.21 ATOM 1842 CB HIS 116 -28.766 -16.081 -37.412 1.00 72.42 ATOM 1843 HB1 HIS 116 -28.525 -17.045 -37.836 1.00 38.74 ATOM 1844 HB2 HIS 116 -28.706 -15.331 -38.186 1.00 45.24 ATOM 1845 CG HIS 116 -30.190 -16.130 -36.933 1.00 71.12 ATOM 1846 ND1 HIS 116 -31.264 -16.283 -37.786 1.00 25.24 ATOM 1847 HD1 HIS 116 -31.212 -16.370 -38.762 1.00 2.44 ATOM 1848 CD2 HIS 116 -30.718 -16.059 -35.687 1.00 52.21 ATOM 1849 HD2 HIS 116 -30.169 -15.937 -34.762 1.00 24.13 ATOM 1850 CE1 HIS 116 -32.382 -16.299 -37.091 1.00 1.45 ATOM 1851 HE1 HIS 116 -33.379 -16.403 -37.497 1.00 62.14 ATOM 1852 NE2 HIS 116 -32.080 -16.167 -35.818 1.00 2.03 ATOM 1853 HE2 HIS 116 -32.720 -16.244 -35.077 1.00 38.74 ATOM 1854 CA HIS 116 -27.742 -15.750 -36.317 1.00 21.10 ATOM 1855 C HIS 116 -26.311 -15.937 -36.863 1.00 13.35 ATOM 1856 OT1 HIS 116 -25.565 -16.785 -36.328 1.00 38.74 ATOM 1857 OT2 HIS 116 -25.934 -15.219 -37.815 1.00 38.74 ATOM 1858 OH2 TIP3 1 -34.153 -14.172 -41.292 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -35.009 -13.863 -40.938 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -34.244 -14.059 -42.258 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -33.471 -20.136 -37.614 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -32.776 -20.368 -38.271 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -32.998 -20.140 -36.754 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -35.793 -11.181 -42.785 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -35.452 -12.035 -43.130 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -36.086 -10.709 -43.574 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -35.209 -13.728 -43.845 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -34.634 -14.276 -44.435 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -36.083 -14.120 -43.945 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -37.317 -19.902 -36.852 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -36.802 -19.084 -36.756 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -38.229 -19.599 -36.937 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -36.504 -12.862 -40.631 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -36.430 -12.136 -41.279 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -36.279 -12.441 -39.770 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -36.195 -21.349 -34.760 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -36.648 -20.908 -35.507 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -36.592 -22.223 -34.726 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -35.571 -12.014 -38.205 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -35.947 -11.179 -37.849 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -35.681 -12.657 -37.468 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -32.070 -15.659 -40.395 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -32.871 -15.235 -40.774 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -31.419 -15.617 -41.106 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -37.591 -15.254 -39.952 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -37.253 -14.360 -40.181 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -38.074 -15.531 -40.735 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -33.053 -11.932 -35.847 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -33.079 -12.263 -36.758 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -32.860 -10.972 -35.944 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -32.120 -17.463 -44.875 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -31.927 -18.401 -45.082 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -31.306 -17.145 -44.442 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -33.099 -12.889 -38.794 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -33.988 -12.496 -38.655 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -33.205 -13.436 -39.592 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -38.191 -12.015 -35.384 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -38.050 -11.893 -34.411 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -39.144 -11.939 -35.494 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -34.473 -15.190 -34.578 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -34.958 -14.530 -35.124 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -34.291 -14.719 -33.739 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -36.629 -16.127 -37.580 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -37.085 -15.838 -38.404 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -35.913 -16.724 -37.903 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -30.541 -13.098 -38.010 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -31.496 -13.000 -38.231 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -30.138 -13.430 -38.846 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -30.925 -19.953 -45.202 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -30.276 -19.946 -44.477 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -30.666 -20.700 -45.747 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -34.058 -15.617 -45.426 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -34.177 -15.826 -46.357 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -33.392 -16.276 -45.116 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -34.876 -17.989 -38.531 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -34.760 -18.159 -39.478 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -34.387 -18.722 -38.098 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -31.807 -20.624 -39.738 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -32.620 -20.387 -40.238 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -31.267 -21.130 -40.386 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -29.676 -16.819 -43.698 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -29.637 -16.571 -42.748 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -29.083 -16.193 -44.130 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -35.748 -21.085 -38.847 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -34.932 -20.959 -38.322 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -36.461 -20.814 -38.242 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -32.626 -9.241 -35.661 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -33.557 -9.129 -35.367 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -32.246 -8.342 -35.596 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -36.745 -10.051 -36.735 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -36.128 -9.756 -36.027 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -37.317 -10.711 -36.292 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -36.405 -7.811 -38.288 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -36.621 -8.605 -37.754 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -36.216 -8.170 -39.176 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -36.628 -11.266 -21.564 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -37.364 -11.338 -22.198 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -36.169 -10.440 -21.817 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -32.718 -7.998 -25.072 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -33.399 -7.432 -24.651 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -32.742 -8.825 -24.544 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -26.081 -14.348 -16.584 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -26.047 -14.845 -15.738 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -26.093 -13.402 -16.305 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -38.621 -7.453 -31.566 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -39.519 -7.232 -31.230 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -38.142 -6.609 -31.526 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -34.242 -10.823 -30.809 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -34.393 -10.986 -31.768 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -35.125 -10.596 -30.466 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -36.314 -10.053 -28.500 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -36.268 -9.275 -27.901 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -36.348 -10.807 -27.903 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -36.160 -17.282 -35.164 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -35.605 -16.554 -34.813 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -36.540 -16.911 -35.985 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -32.162 -20.010 -35.236 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -32.990 -19.797 -34.757 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -31.468 -19.510 -34.747 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -28.712 -13.867 -17.434 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -27.906 -14.257 -17.051 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -28.385 -13.095 -17.929 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -34.348 -11.671 -33.424 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -33.940 -11.760 -34.317 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -34.188 -12.541 -33.004 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -36.169 -13.733 -36.168 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -36.962 -13.226 -35.883 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -36.534 -14.512 -36.638 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -31.407 -10.511 -21.021 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -30.576 -10.583 -20.534 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -32.098 -10.646 -20.333 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -33.853 -14.036 -32.148 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -34.335 -13.941 -31.319 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -32.992 -14.435 -31.880 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -29.849 -7.921 -25.172 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -30.802 -7.771 -25.028 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -29.817 -8.502 -25.955 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -38.065 -11.703 -32.705 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -38.255 -12.320 -31.995 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -37.688 -10.918 -32.246 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -35.982 -9.165 -16.187 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -35.425 -8.401 -16.480 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -35.435 -9.937 -16.362 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -32.711 -17.361 -33.279 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -32.974 -16.812 -32.527 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -33.462 -17.985 -33.400 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -31.060 -14.695 -16.363 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -31.206 -15.451 -16.939 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -30.208 -14.311 -16.685 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -31.622 -15.362 -31.272 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -31.148 -14.640 -30.835 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -31.063 -16.150 -31.108 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -30.958 -12.560 -27.911 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -31.438 -12.296 -27.099 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -30.180 -13.036 -27.579 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -30.777 -13.345 -23.462 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -29.971 -13.423 -22.891 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -31.507 -13.308 -22.832 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -33.173 -10.810 -18.928 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -33.890 -11.454 -19.150 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -32.947 -11.017 -17.992 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -30.342 -18.649 -33.724 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -31.054 -18.068 -33.380 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -29.742 -18.764 -32.972 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -34.596 -19.224 -34.045 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -35.073 -20.084 -34.104 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -35.229 -18.577 -34.431 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -38.973 -11.956 -23.206 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -39.305 -12.826 -23.446 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -39.765 -11.426 -23.074 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -35.130 -12.526 -19.680 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -35.686 -12.019 -20.319 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -35.397 -13.437 -19.809 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -33.866 -8.209 -19.364 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -33.595 -9.134 -19.175 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -34.253 -7.895 -18.514 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -36.922 -7.127 -21.632 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -37.790 -6.764 -21.895 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -37.071 -7.454 -20.715 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -32.925 -10.132 -23.314 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -33.762 -9.815 -22.901 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -32.326 -10.282 -22.549 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -34.964 -9.005 -21.809 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -34.537 -8.744 -20.966 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -35.628 -8.296 -21.964 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -36.816 -7.390 -33.805 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -36.441 -6.720 -33.192 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -37.607 -7.714 -33.342 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -31.737 -12.095 -30.531 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -31.466 -12.252 -29.599 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -32.644 -11.732 -30.461 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -32.595 -11.493 -16.359 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -32.473 -11.211 -15.428 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -32.248 -12.394 -16.379 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -27.778 -14.019 -13.043 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -27.259 -13.177 -13.052 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -28.250 -13.992 -12.207 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -35.647 -4.362 -14.156 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -35.265 -5.025 -13.523 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -35.302 -4.650 -15.039 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -31.176 -9.321 -9.962 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -30.863 -8.399 -10.085 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -30.609 -9.848 -10.562 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -32.220 -11.126 -13.654 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -32.316 -10.905 -12.720 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -32.198 -12.112 -13.668 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -33.459 -8.212 -14.298 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -33.800 -7.989 -15.188 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -33.105 -9.107 -14.393 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -32.138 -13.842 -14.012 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -31.659 -14.158 -14.813 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -32.652 -14.604 -13.730 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -29.887 -7.615 -4.829 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -29.014 -8.071 -4.804 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -30.516 -8.323 -5.013 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -24.271 -15.644 -11.940 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -24.747 -15.319 -11.159 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -24.076 -14.825 -12.455 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -26.066 -15.780 -14.215 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -25.431 -15.888 -13.479 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -26.802 -15.254 -13.817 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -27.809 -9.664 -8.895 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -28.113 -10.213 -8.148 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -27.594 -10.316 -9.600 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -33.854 -9.673 -9.936 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -32.886 -9.489 -9.959 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -33.932 -10.451 -9.380 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -29.968 -11.393 -11.429 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -30.009 -11.555 -12.380 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -28.996 -11.406 -11.225 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -27.114 -2.456 -39.078 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -28.026 -2.712 -39.283 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -26.572 -2.959 -39.730 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -27.947 -9.068 -37.045 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -27.297 -8.646 -37.633 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -28.081 -9.956 -37.431 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -33.121 6.128 -40.029 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -32.193 5.833 -40.170 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -33.036 7.049 -39.762 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -32.106 -5.906 -38.064 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -33.050 -5.651 -38.018 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -31.852 -5.710 -38.996 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -30.415 -2.398 -39.142 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -30.243 -1.445 -39.320 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -31.350 -2.415 -38.821 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -34.161 -0.022 -35.670 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -34.644 0.755 -36.017 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -33.251 0.280 -35.598 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -30.161 -4.257 -37.128 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -30.785 -4.903 -37.522 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -30.100 -3.546 -37.797 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -34.306 -2.672 -33.950 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -33.551 -3.164 -34.342 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -34.338 -1.841 -34.459 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -29.030 9.392 -33.746 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -28.282 9.327 -33.115 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -28.967 8.563 -34.278 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -29.992 0.265 -39.738 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -29.916 1.173 -39.343 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -30.129 0.431 -40.676 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -35.557 5.767 -41.307 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -34.717 5.902 -40.828 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -35.374 5.044 -41.905 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -37.372 4.312 -36.997 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -38.257 4.398 -37.369 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -37.496 4.490 -36.031 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -35.581 6.469 -37.284 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -36.304 5.811 -37.278 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -34.771 5.927 -37.320 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -31.483 -6.732 -35.453 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -31.768 -5.910 -35.012 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -31.652 -6.562 -36.404 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -29.700 10.683 -38.564 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -29.995 11.294 -37.857 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -30.189 10.986 -39.359 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -37.659 4.433 -34.334 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -37.250 3.559 -34.179 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -38.397 4.465 -33.695 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -33.596 4.562 -37.725 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -32.662 4.802 -37.515 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -33.711 4.862 -38.647 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -36.685 0.730 -31.903 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -36.752 1.144 -32.789 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -35.760 0.419 -31.852 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -34.009 -3.222 -31.138 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -33.811 -4.147 -30.876 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -34.134 -3.270 -32.109 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -35.228 2.482 -36.659 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -36.039 3.014 -36.794 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -34.532 2.998 -37.113 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -36.835 -3.851 -34.335 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -36.713 -4.492 -35.063 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -35.950 -3.452 -34.217 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -33.108 -8.303 -30.806 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -32.399 -8.307 -30.135 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -33.497 -9.199 -30.752 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -31.085 12.196 -40.461 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -30.974 12.968 -39.872 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -31.944 12.336 -40.876 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -30.250 8.183 -37.277 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -29.768 8.888 -37.753 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -29.601 7.852 -36.607 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -29.496 2.691 -38.721 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -28.954 3.454 -39.007 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -29.663 2.860 -37.771 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -31.115 5.569 -37.614 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -30.811 6.476 -37.411 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -30.784 5.405 -38.521 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -29.928 -2.939 -33.617 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -29.305 -2.414 -34.169 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -30.475 -2.256 -33.167 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -34.696 -4.811 -38.058 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -35.201 -5.064 -37.255 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -35.205 -5.195 -38.786 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -32.957 -2.608 -38.125 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -33.554 -3.387 -38.156 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -33.474 -1.935 -37.666 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -35.606 9.143 -37.675 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -35.940 9.139 -38.581 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -35.603 8.187 -37.419 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -31.775 10.795 -33.852 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -31.028 10.287 -33.492 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -31.936 10.391 -34.731 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -35.590 -9.436 -40.496 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -34.802 -9.801 -40.080 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -35.658 -9.915 -41.342 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -35.156 -9.348 -34.668 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -35.044 -10.044 -33.989 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -35.713 -8.666 -34.228 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -39.653 1.438 -22.808 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -39.740 1.605 -21.854 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -39.229 2.248 -23.155 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -40.923 -2.225 -23.602 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -40.724 -1.282 -23.555 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -41.097 -2.477 -22.685 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -37.488 -3.744 -25.241 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -37.244 -3.342 -24.383 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -37.433 -4.715 -25.071 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -39.700 1.052 -19.622 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -39.840 0.214 -19.154 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -39.685 1.718 -18.910 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -39.343 -6.164 -22.430 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -39.409 -5.295 -21.976 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -40.038 -6.709 -21.997 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -38.895 -3.425 -32.581 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -38.130 -3.484 -33.205 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -39.588 -3.942 -33.010 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -41.476 2.614 -27.294 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -42.001 3.174 -26.717 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -41.138 1.910 -26.703 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -38.200 6.485 -24.684 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -37.540 6.456 -23.954 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -38.712 7.287 -24.504 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -38.365 3.698 -24.109 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -38.466 4.639 -24.349 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -37.941 3.721 -23.221 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -40.521 7.416 -17.289 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -40.409 6.484 -17.043 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -40.847 7.383 -18.217 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -38.891 0.568 -30.402 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -38.106 0.823 -30.946 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -39.114 1.385 -29.905 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -39.622 9.742 -16.182 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -39.020 9.416 -15.487 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -40.002 8.919 -16.575 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -37.146 11.704 -27.716 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -36.748 12.205 -26.969 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -38.101 11.936 -27.679 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -32.857 8.265 -29.794 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -32.238 8.334 -29.037 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -32.460 7.571 -30.365 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -37.634 -8.261 -19.267 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -37.759 -9.206 -19.390 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -37.940 -8.096 -18.354 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -36.366 -5.979 -36.186 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -36.513 -6.536 -35.393 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -36.473 -6.604 -36.939 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -40.172 0.898 -25.530 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -39.344 1.311 -25.875 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -40.093 0.986 -24.557 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -40.038 -1.293 -27.222 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -40.316 -2.038 -26.656 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -40.236 -0.496 -26.685 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -35.944 -1.089 -15.979 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -36.141 -0.179 -16.291 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -35.745 -1.589 -16.800 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -40.222 -3.683 -25.838 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -40.665 -3.350 -25.023 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -39.289 -3.796 -25.570 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -40.615 -4.282 -28.557 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -40.483 -4.323 -27.584 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -41.098 -3.455 -28.692 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -39.922 -0.838 -32.479 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -39.536 -1.734 -32.459 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -39.633 -0.432 -31.631 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -39.521 -3.918 -20.849 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -39.233 -3.035 -21.174 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -38.950 -4.079 -20.067 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -37.984 2.218 -26.456 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -37.065 2.272 -26.799 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -38.004 2.867 -25.720 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -36.248 -5.711 -31.731 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -36.683 -4.895 -31.439 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -35.388 -5.704 -31.262 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -36.194 6.050 -19.770 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -35.656 6.461 -19.062 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -36.658 5.316 -19.321 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -35.528 2.434 -27.637 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -35.961 2.975 -28.338 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -34.589 2.700 -27.688 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -37.888 5.467 -27.176 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -38.009 5.754 -26.246 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -38.511 6.028 -27.683 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -39.327 2.825 -28.902 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -38.698 2.705 -28.163 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -40.211 2.777 -28.470 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -37.920 8.954 -22.723 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -37.605 9.813 -22.378 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -38.852 8.901 -22.419 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -39.600 9.532 -26.639 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -39.979 9.457 -27.537 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -40.247 10.080 -26.155 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -36.594 4.303 -29.284 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -37.195 4.613 -29.980 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -36.967 4.687 -28.460 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -39.063 5.048 -30.426 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -39.157 4.672 -31.322 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -39.187 4.273 -29.828 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -36.883 -6.564 -29.056 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -37.471 -5.807 -29.267 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -36.647 -6.924 -29.921 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -31.134 8.566 -27.698 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -30.463 9.254 -27.756 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -30.882 8.050 -26.921 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -38.348 -4.509 -30.128 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -38.560 -3.991 -30.934 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -39.124 -4.370 -29.545 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -37.945 -3.781 -18.581 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -37.958 -4.539 -17.959 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -37.033 -3.433 -18.512 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -36.218 -7.870 -26.807 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -36.590 -7.481 -25.991 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -36.608 -7.328 -27.532 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -39.204 7.219 -28.790 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -39.849 7.898 -29.079 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -39.204 6.557 -29.521 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -37.509 9.664 -30.390 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -36.530 9.731 -30.414 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -37.787 9.972 -31.272 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -37.478 3.804 -21.540 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -37.174 4.722 -21.668 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -37.516 3.699 -20.568 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -37.226 1.719 -34.379 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -38.158 1.417 -34.419 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -36.849 1.445 -35.228 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -39.748 3.677 -32.745 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -40.648 3.690 -32.405 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -39.684 2.819 -33.220 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -39.953 1.258 -34.134 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -39.940 0.489 -33.506 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -40.679 1.057 -34.733 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -38.563 -1.664 -15.411 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -37.617 -1.441 -15.555 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -38.547 -2.283 -14.652 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -41.652 -2.577 -19.612 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -41.059 -2.108 -19.008 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -41.079 -3.227 -20.051 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -38.848 -1.305 -21.131 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -39.030 -0.415 -21.469 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -38.863 -1.199 -20.166 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -37.615 3.910 -18.719 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -37.217 3.259 -18.123 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -38.515 4.021 -18.381 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -41.281 -7.130 -20.714 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -41.424 -6.276 -20.298 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -41.496 -7.778 -20.008 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -38.390 -8.024 -16.594 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -38.165 -7.070 -16.518 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -37.563 -8.487 -16.316 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -42.060 -8.539 -18.493 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -41.535 -8.832 -17.713 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -42.968 -8.715 -18.242 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -40.687 9.516 -29.240 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -41.614 9.795 -29.243 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -40.288 10.014 -29.987 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -34.427 -0.569 -31.139 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -33.852 -0.192 -30.432 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -34.122 -1.498 -31.228 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -29.672 -5.742 -32.915 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -29.781 -4.794 -33.130 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -29.701 -5.769 -31.932 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -33.948 -5.822 -30.206 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -34.011 -6.086 -29.272 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -33.578 -6.621 -30.651 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -41.499 7.363 -19.837 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -40.983 7.854 -20.510 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -42.348 7.214 -20.257 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -38.811 5.874 -14.182 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -37.865 6.114 -14.258 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -39.061 6.184 -13.303 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -42.487 9.906 -23.570 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -43.230 10.481 -23.316 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -42.267 10.186 -24.481 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -36.780 6.508 -22.362 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -37.127 7.425 -22.403 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -36.437 6.424 -21.440 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -37.336 -6.344 -24.438 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -38.159 -6.358 -23.900 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -36.636 -6.602 -23.804 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -31.225 -7.796 -28.847 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -30.849 -8.474 -28.241 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -32.047 -7.504 -28.394 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -29.759 -5.846 -30.176 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -30.287 -6.550 -29.739 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -29.508 -5.260 -29.457 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -33.607 -7.313 -27.585 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -33.205 -7.572 -26.725 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -34.542 -7.595 -27.499 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -37.134 -9.735 -31.074 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -36.954 -9.755 -30.108 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -37.694 -8.937 -31.198 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -40.930 -6.357 -30.504 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -40.767 -5.702 -29.797 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -41.852 -6.601 -30.391 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -34.815 10.007 -30.354 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -34.081 9.375 -30.150 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -34.631 10.293 -31.284 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -37.459 -5.462 -16.446 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -36.487 -5.562 -16.606 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -37.513 -4.819 -15.729 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -25.819 -7.146 -4.119 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -24.944 -7.419 -4.505 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -26.460 -7.761 -4.525 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -34.229 -2.708 -10.131 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -35.142 -2.756 -10.501 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -34.121 -3.560 -9.646 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -25.452 -5.242 -0.472 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -25.241 -4.394 -0.916 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -26.331 -5.101 -0.102 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -33.927 -5.069 -8.808 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -34.300 -5.833 -9.302 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -34.121 -5.277 -7.862 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -35.366 -2.879 -18.044 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -34.801 -2.992 -18.817 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -35.143 -3.656 -17.465 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -31.860 -5.646 -4.545 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -31.147 -6.314 -4.489 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -31.446 -4.833 -4.238 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -37.350 1.580 -13.429 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -37.078 2.487 -13.213 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -37.078 1.056 -12.643 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -39.631 0.824 -14.839 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -38.977 1.113 -14.173 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -39.436 -0.126 -14.968 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -36.159 6.684 -13.970 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -35.898 5.759 -13.751 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -35.414 7.218 -13.666 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -34.130 9.226 -13.891 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -34.009 9.652 -13.007 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -33.374 8.601 -13.958 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -33.873 -2.273 -14.482 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -34.495 -1.654 -14.917 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -34.429 -3.053 -14.272 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -40.736 -9.342 -16.258 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -39.911 -8.823 -16.406 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -40.504 -9.957 -15.559 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -36.772 0.560 -10.877 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -37.358 1.107 -10.341 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -36.003 0.386 -10.290 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -38.009 -3.422 -13.328 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -37.114 -3.733 -13.615 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -38.411 -4.200 -12.926 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -38.052 6.939 -10.361 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -37.648 7.003 -9.496 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -38.022 7.854 -10.710 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -32.131 7.423 -14.013 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -32.389 6.495 -14.030 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -31.257 7.438 -14.474 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -35.393 4.014 -13.577 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -35.283 3.534 -14.405 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -34.699 3.635 -12.986 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -33.307 2.906 -12.224 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -33.240 1.974 -11.907 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -32.536 3.337 -11.844 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -40.359 4.769 -16.135 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -39.726 5.148 -15.474 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -41.204 4.760 -15.671 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -36.724 -2.237 -11.166 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -36.858 -1.271 -11.157 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -37.230 -2.541 -11.942 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -37.909 9.496 -11.379 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -38.265 10.382 -11.290 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -37.847 9.359 -12.345 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -31.248 -5.397 -8.098 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -31.061 -6.063 -8.790 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -32.203 -5.206 -8.206 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -39.585 2.318 -17.108 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -39.820 1.734 -16.350 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -39.912 3.203 -16.836 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -36.982 1.488 -16.265 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -37.880 1.657 -16.606 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -37.090 1.492 -15.293 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -39.394 -1.501 -18.178 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -39.356 -1.408 -17.205 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -38.920 -2.346 -18.352 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -32.424 -2.177 -12.103 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -32.951 -2.153 -12.928 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -33.073 -2.438 -11.412 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -32.899 0.489 -11.087 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -32.557 -0.380 -11.365 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -33.522 0.282 -10.364 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -29.740 0.512 -2.459 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -29.730 0.518 -1.498 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -29.853 1.435 -2.703 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -34.733 -0.230 -9.137 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -34.593 -1.159 -9.437 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -34.486 -0.244 -8.205 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -31.187 -2.106 -15.347 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -32.137 -2.315 -15.233 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -31.001 -1.478 -14.639 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -34.079 -5.709 -6.187 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -34.714 -5.974 -5.518 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -33.226 -5.656 -5.699 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -33.559 10.433 -11.507 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -34.223 10.793 -10.914 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -32.734 10.432 -10.971 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -34.999 -7.247 -10.146 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -35.934 -7.471 -10.131 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -34.542 -8.122 -10.106 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -29.267 -5.360 -6.278 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -29.396 -6.183 -5.760 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -30.066 -5.316 -6.857 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -30.613 -11.746 -8.747 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -30.362 -11.990 -9.658 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -30.945 -10.833 -8.833 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -34.518 -6.260 -12.676 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -34.550 -6.606 -11.763 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -34.123 -6.995 -13.199 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -37.595 9.275 -14.172 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -37.079 8.450 -14.253 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -36.990 9.968 -14.484 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -30.579 9.008 -12.258 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -31.188 8.416 -12.734 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -30.333 9.680 -12.921 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -29.037 16.205 -37.608 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -28.190 15.864 -37.256 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -28.880 17.167 -37.700 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -35.477 20.342 -35.033 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -35.586 20.565 -34.084 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -35.421 21.214 -35.477 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -27.779 18.711 -37.352 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -27.188 19.260 -37.913 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -27.283 18.593 -36.537 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -33.029 15.997 -37.106 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -33.542 16.736 -36.705 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -32.109 16.219 -36.915 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -30.575 24.826 -34.130 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -30.000 24.931 -34.891 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -31.375 24.378 -34.493 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -34.941 12.591 -40.076 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -35.353 12.875 -40.896 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -34.324 13.325 -39.850 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -36.382 15.395 -33.751 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -36.769 16.122 -34.289 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -35.769 14.946 -34.371 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -26.163 22.568 -39.941 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -25.912 23.215 -40.605 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -27.067 22.804 -39.706 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -29.698 20.858 -31.069 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -30.219 20.055 -30.829 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -30.001 21.079 -31.957 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -30.539 14.157 -38.596 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -30.622 13.607 -37.779 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -30.101 14.988 -38.282 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -35.234 22.832 -36.304 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -35.395 23.758 -36.003 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -35.528 22.829 -37.221 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -34.279 17.951 -35.682 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -33.953 17.675 -34.813 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -34.574 18.882 -35.545 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -36.975 17.603 -35.293 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -36.056 17.574 -35.619 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -37.173 18.546 -35.237 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -36.643 13.250 -31.989 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -36.346 13.993 -32.558 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -35.923 13.149 -31.325 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -37.780 16.392 -31.507 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -37.300 16.089 -32.307 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -37.334 15.936 -30.775 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -34.778 14.204 -35.858 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -34.209 14.796 -36.389 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -34.976 13.458 -36.459 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -37.826 10.951 -32.898 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -37.369 11.787 -32.647 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -37.324 10.633 -33.675 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -43.688 10.649 -30.639 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -43.631 10.183 -31.478 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -44.102 11.511 -30.871 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -33.157 14.489 -39.381 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -32.196 14.400 -39.246 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -33.427 15.138 -38.700 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -28.775 12.072 -34.555 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -28.978 11.223 -34.108 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -27.982 11.869 -35.102 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -32.121 9.958 -36.418 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -31.513 9.251 -36.740 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -32.991 9.685 -36.738 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -35.163 11.877 -37.443 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -35.273 10.909 -37.518 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -35.114 12.183 -38.376 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -32.822 23.590 -35.014 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -33.100 23.299 -34.117 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -33.521 23.246 -35.600 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -37.235 19.111 -26.126 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -36.653 19.875 -25.970 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -37.477 18.810 -25.218 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -43.236 13.181 -24.588 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -43.959 13.698 -25.001 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -43.681 12.675 -23.873 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -41.479 15.229 -24.546 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -41.998 15.925 -25.005 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -42.083 14.455 -24.524 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -46.011 13.899 -23.262 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -45.708 14.419 -24.036 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -46.770 14.390 -22.931 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -37.117 22.105 -26.835 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -36.817 22.038 -25.905 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -38.078 21.946 -26.786 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -41.823 19.132 -25.008 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -41.481 19.812 -24.396 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -41.100 19.010 -25.656 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -44.957 15.183 -25.515 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -45.603 15.355 -26.210 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -44.241 15.844 -25.684 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -34.307 21.984 -27.116 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -34.363 22.564 -27.907 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -35.231 21.919 -26.811 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -40.571 8.983 -21.861 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -41.284 9.197 -22.508 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -40.383 9.841 -21.422 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -40.507 25.082 -22.091 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -39.978 25.310 -22.858 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -40.744 25.927 -21.705 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -34.649 23.321 -29.505 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -34.942 24.026 -30.124 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -33.788 23.036 -29.859 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -33.441 17.708 -31.759 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -33.417 17.231 -30.906 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -33.403 16.998 -32.434 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -40.417 21.087 -23.554 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -40.027 20.530 -22.845 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -40.678 21.897 -23.098 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -39.464 15.587 -22.822 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -38.648 15.600 -23.370 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -40.195 15.611 -23.482 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -35.983 21.384 -24.498 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -36.524 21.216 -23.695 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -35.105 21.616 -24.141 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -35.316 12.584 -29.649 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -35.985 12.434 -28.957 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -35.012 11.682 -29.882 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -42.932 16.932 -26.113 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -42.725 17.798 -25.682 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -42.451 16.972 -26.968 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -32.317 21.956 -30.364 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -31.364 21.779 -30.289 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -32.735 21.235 -29.842 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -30.163 23.173 -19.580 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -29.520 22.728 -18.996 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -30.418 23.959 -19.090 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -44.502 11.734 -22.622 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -45.174 12.443 -22.759 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -44.789 11.289 -21.817 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -40.120 11.318 -31.299 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -39.602 12.039 -30.884 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -39.573 11.046 -32.063 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -40.872 13.763 -21.405 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -41.693 13.813 -21.910 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -40.284 14.426 -21.838 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -44.432 13.205 -31.231 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -43.523 13.510 -31.012 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -44.848 13.972 -31.632 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -40.407 19.901 -18.515 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -40.507 18.964 -18.208 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -41.230 20.324 -18.249 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -41.846 13.720 -30.554 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -41.287 13.053 -30.992 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -41.364 14.567 -30.693 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -41.143 16.781 -28.297 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -40.734 16.028 -27.812 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -41.014 16.555 -29.241 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -40.501 16.128 -30.927 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -39.593 15.850 -31.156 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -40.502 17.091 -31.106 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -42.474 11.894 -28.553 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -42.339 12.726 -29.051 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -43.033 11.348 -29.152 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -39.556 21.538 -29.103 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -40.337 21.034 -29.352 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -39.672 21.701 -28.145 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -38.751 13.397 -30.285 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -38.068 13.272 -30.984 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -38.340 14.050 -29.671 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -35.514 18.684 -18.478 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -36.336 19.223 -18.507 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -35.567 18.219 -17.612 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -37.058 21.847 -30.196 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -36.526 22.509 -29.714 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -37.960 21.933 -29.809 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -37.795 18.537 -23.526 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -38.015 17.991 -22.752 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -37.486 19.381 -23.140 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -34.817 20.652 -20.529 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -35.162 20.250 -19.711 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -33.940 20.223 -20.649 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -27.739 19.639 -17.240 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -28.441 18.954 -17.233 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -27.270 19.508 -16.393 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -35.162 24.958 -31.656 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -34.854 25.824 -31.990 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -34.700 24.309 -32.215 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -39.765 21.434 -26.323 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -39.808 20.476 -26.538 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -39.992 21.473 -25.372 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -36.084 19.648 -28.844 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -36.553 19.499 -28.007 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -36.470 20.475 -29.193 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -35.608 20.827 -32.295 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -36.206 21.257 -31.638 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -35.372 19.983 -31.881 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -31.616 25.751 -31.800 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -31.149 25.502 -32.632 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -31.453 25.010 -31.208 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -31.385 18.886 -30.405 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -31.929 19.148 -29.631 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -32.043 18.546 -31.049 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -39.755 12.414 -27.935 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -39.505 12.687 -28.843 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -40.638 12.013 -28.041 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -33.696 22.747 -32.581 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -33.124 22.483 -31.828 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -34.430 22.094 -32.561 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -35.259 25.436 -35.473 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -35.779 26.133 -35.059 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -34.352 25.615 -35.187 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -37.079 20.794 -22.105 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -36.342 20.809 -21.457 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -37.879 20.661 -21.556 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -39.872 18.776 -26.910 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -40.168 18.098 -27.557 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -38.905 18.639 -26.840 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -39.509 19.870 -21.158 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -39.184 18.941 -21.128 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -39.920 20.005 -20.281 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -39.447 18.685 -31.026 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -39.009 19.508 -30.779 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -38.712 18.074 -31.230 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -37.677 20.313 -18.371 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -37.679 21.047 -17.752 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -38.625 20.107 -18.502 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -40.787 14.350 -18.652 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -40.440 13.464 -18.423 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -40.907 14.312 -19.619 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -39.741 11.348 -20.814 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -38.809 11.443 -21.091 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -40.159 12.201 -21.073 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -38.517 17.317 -21.028 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -38.140 16.807 -20.276 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -38.955 16.635 -21.583 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -36.352 13.686 -17.327 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -35.646 14.179 -16.863 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -36.696 13.075 -16.653 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -37.499 15.594 -19.114 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -36.549 15.813 -19.232 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -37.490 14.848 -18.490 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -39.861 11.766 -18.105 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -39.828 11.462 -19.036 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -39.805 10.937 -17.580 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -40.735 17.328 -17.732 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -40.502 16.669 -18.403 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -40.780 16.816 -16.907 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -37.001 12.108 -15.049 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -37.956 12.054 -15.258 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -36.927 12.923 -14.492 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -39.724 12.434 -15.495 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -39.971 11.541 -15.196 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -39.779 12.378 -16.473 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -40.518 15.051 -16.014 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -40.283 14.177 -15.638 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -40.734 14.855 -16.952 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -33.706 21.780 -22.826 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -32.889 22.208 -22.490 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -34.174 21.490 -22.016 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -34.842 16.088 -19.162 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -35.048 17.046 -19.137 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -34.055 16.003 -18.591 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -31.208 22.779 -22.101 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -30.889 22.843 -21.168 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -30.772 23.532 -22.553 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -34.381 10.800 -32.869 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -34.928 10.668 -33.667 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -33.467 10.850 -33.209 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -36.064 10.463 -35.093 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -36.080 9.728 -35.728 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -35.884 11.247 -35.643 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -41.878 11.201 -25.956 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -42.156 11.332 -26.888 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -42.255 11.973 -25.486 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -39.976 14.877 -26.803 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -39.888 13.936 -27.069 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -40.398 14.840 -25.921 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -30.167 11.342 -13.990 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -30.325 11.635 -14.905 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -30.651 11.984 -13.449 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -36.019 17.152 -16.265 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -35.469 16.388 -16.001 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -36.912 16.794 -16.321 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -39.068 16.183 -13.985 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -39.576 15.862 -14.762 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -39.729 16.597 -13.426 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -36.908 14.502 -13.821 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -36.168 15.100 -13.975 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -37.693 15.095 -13.785 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -30.431 14.072 -12.737 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -31.208 14.006 -13.330 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -29.995 14.904 -13.008 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -32.723 16.435 -17.446 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -31.932 15.915 -17.751 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -32.459 17.356 -17.569 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -34.372 15.024 -15.792 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -33.764 14.504 -15.233 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -33.770 15.540 -16.380 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -29.434 16.525 -13.769 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -28.784 16.419 -14.496 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -30.169 16.997 -14.178 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -32.297 13.446 -14.726 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -31.703 13.265 -15.486 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -32.998 12.755 -14.800 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -29.346 12.446 -10.784 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -29.396 13.062 -10.046 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -29.695 12.961 -11.549 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -30.577 12.675 -16.719 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -30.539 13.555 -17.160 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -30.210 12.065 -17.381 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -31.205 10.410 -10.071 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -30.539 11.113 -10.156 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -30.939 9.746 -10.746 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -34.256 11.622 -15.167 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -35.212 11.835 -15.146 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -34.193 10.764 -14.695 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -29.295 -16.521 -41.015 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -29.675 -17.218 -40.427 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -28.382 -16.846 -41.210 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -18.878 -7.296 -41.705 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -17.939 -7.199 -41.430 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -19.347 -7.458 -40.871 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -20.754 -9.736 -40.048 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -19.912 -9.293 -39.824 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -21.063 -10.095 -39.195 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -29.082 -19.450 -43.155 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -28.526 -19.271 -42.378 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -29.398 -18.557 -43.430 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -23.141 -15.052 -37.336 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -24.117 -15.100 -37.414 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -22.826 -15.804 -37.860 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -30.267 -21.610 -41.762 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -29.851 -22.374 -42.169 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -29.973 -20.857 -42.306 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -23.487 -14.134 -48.706 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -23.408 -13.208 -48.939 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -23.571 -14.586 -49.546 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -13.964 -12.814 -40.908 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -13.600 -13.652 -40.554 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -13.248 -12.455 -41.450 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -17.783 -9.508 -43.248 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -16.893 -9.446 -42.853 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -18.274 -8.769 -42.847 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -17.734 -12.230 -43.478 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -18.058 -12.488 -44.345 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -17.853 -11.251 -43.458 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -26.244 -19.321 -43.734 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -27.153 -19.579 -43.948 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -25.756 -19.464 -44.551 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -25.295 -15.797 -40.384 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -25.570 -15.557 -39.467 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -24.985 -14.955 -40.768 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -22.640 -19.888 -38.812 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -23.086 -19.010 -38.706 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -23.283 -20.422 -39.290 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -17.921 -13.395 -38.900 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -18.414 -14.026 -39.436 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -17.518 -12.784 -39.561 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -8.939 -8.804 -36.434 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -9.135 -9.161 -35.545 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -9.777 -8.869 -36.905 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -19.240 -13.104 -36.511 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -19.430 -14.056 -36.394 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -18.874 -13.043 -37.418 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -20.138 -5.701 -44.521 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -20.662 -4.879 -44.465 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -19.768 -5.812 -43.635 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -30.075 -18.535 -39.381 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -30.729 -19.245 -39.555 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -29.528 -18.892 -38.643 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -22.488 -19.959 -36.002 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -22.547 -20.060 -36.971 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -23.116 -20.636 -35.653 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -28.844 -19.601 -37.202 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -28.022 -19.444 -36.697 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -29.256 -20.368 -36.756 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -24.030 -17.587 -38.535 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -24.587 -17.388 -37.748 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -24.480 -17.126 -39.267 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -29.110 -13.914 -40.116 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -29.107 -14.810 -40.509 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -28.165 -13.690 -40.017 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -20.765 -17.885 -36.584 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -20.335 -18.336 -37.344 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -21.411 -18.542 -36.255 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -18.330 -9.593 -36.600 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -17.388 -9.572 -36.888 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -18.278 -9.694 -35.623 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -26.933 -17.523 -41.777 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -26.453 -18.097 -42.410 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -26.225 -16.991 -41.348 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -20.933 -9.971 -37.304 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -19.963 -9.990 -37.137 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -21.204 -9.068 -37.032 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -15.743 -12.936 -37.105 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -15.180 -12.282 -37.567 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -16.466 -13.117 -37.735 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -25.173 -19.230 -33.263 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -24.201 -19.097 -33.170 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -25.430 -19.697 -32.440 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -26.073 -10.601 -41.955 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -26.769 -10.305 -41.343 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -26.414 -10.345 -42.840 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -17.208 -12.521 -34.825 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -16.416 -12.656 -35.390 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -17.960 -12.574 -35.458 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -23.302 -16.434 -34.912 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -24.139 -16.662 -35.395 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -22.738 -16.038 -35.600 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -19.338 -15.764 -35.811 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -18.514 -16.153 -36.127 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -20.020 -16.455 -36.011 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -26.677 -19.097 -35.503 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -26.138 -19.153 -34.683 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -26.311 -18.310 -35.969 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -19.961 -19.401 -38.727 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -19.524 -20.133 -39.168 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -20.919 -19.583 -38.850 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -29.927 -17.573 -30.668 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -30.290 -17.920 -29.843 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -29.336 -18.295 -30.993 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -24.367 -21.518 -34.802 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -24.939 -22.246 -34.488 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -24.738 -20.729 -34.377 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -28.335 -19.531 -31.684 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -28.354 -20.047 -32.522 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -27.541 -19.868 -31.221 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -27.393 -9.423 -44.059 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -27.735 -8.599 -43.650 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -27.724 -9.396 -44.960 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -12.416 -7.893 -39.661 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -13.297 -7.607 -39.313 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -11.938 -7.052 -39.815 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -12.916 -15.071 -39.655 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -13.397 -15.340 -38.861 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -12.667 -15.903 -40.076 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -26.418 -22.954 -33.628 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -26.949 -23.748 -33.722 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -27.064 -22.219 -33.710 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -34.247 -19.997 -40.846 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -34.870 -20.467 -40.244 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -34.638 -20.103 -41.719 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -16.624 -12.206 -40.989 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -15.695 -12.490 -41.129 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -17.043 -12.299 -41.878 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -18.792 -8.169 -38.961 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -18.519 -8.695 -38.182 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -17.939 -7.891 -39.378 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -15.834 -9.144 -37.573 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -15.576 -8.458 -38.234 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -15.325 -9.936 -37.846 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -28.401 -7.321 -42.622 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -29.139 -6.719 -42.420 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -28.367 -7.930 -41.847 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -28.288 -11.679 -37.681 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -27.715 -12.089 -38.375 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -29.175 -12.089 -37.826 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -26.616 -13.080 -39.218 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -25.912 -13.006 -39.901 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -26.326 -13.840 -38.655 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -12.070 -5.666 -47.150 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -12.232 -6.449 -46.580 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -12.858 -5.630 -47.733 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -15.535 -9.681 -41.608 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -15.877 -8.923 -41.070 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -15.971 -10.465 -41.220 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -19.655 -11.284 -23.760 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -20.527 -11.131 -23.344 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -19.313 -10.381 -23.943 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -24.098 -12.356 -23.096 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -23.297 -11.837 -22.866 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -24.658 -12.300 -22.289 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -22.844 -13.770 -19.899 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -23.165 -14.110 -19.027 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -23.163 -14.433 -20.552 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -19.450 -12.383 -26.192 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -19.472 -11.998 -25.284 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -20.080 -13.108 -26.154 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -23.278 -15.554 -22.015 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -23.200 -15.164 -22.916 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -22.717 -16.334 -22.050 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -23.384 -14.323 -17.316 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -24.287 -14.484 -16.994 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -23.105 -13.506 -16.843 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -28.189 -13.367 -30.150 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -28.217 -14.264 -30.539 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -27.933 -13.524 -29.209 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -18.878 -9.174 -29.331 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -18.560 -9.925 -28.781 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -19.712 -9.502 -29.721 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -18.218 -12.423 -31.242 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -18.345 -13.092 -31.941 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -17.971 -12.950 -30.447 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -15.435 -13.316 -16.081 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -14.746 -12.886 -16.652 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -15.390 -14.268 -16.328 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -19.901 -15.259 -29.171 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -19.784 -15.689 -30.048 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -20.862 -15.313 -29.007 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -19.500 -16.212 -31.683 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -19.170 -15.527 -32.302 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -19.435 -17.032 -32.179 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -24.409 -17.256 -30.009 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -25.323 -17.237 -29.698 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -24.466 -16.941 -30.938 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -23.223 -14.502 -24.542 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -23.532 -14.424 -25.455 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -23.535 -13.677 -24.111 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -18.323 -14.670 -21.218 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -18.636 -14.029 -21.864 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -19.007 -14.652 -20.510 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -26.201 -14.838 -22.010 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -26.127 -14.949 -21.038 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -25.308 -15.016 -22.333 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -27.819 -15.825 -31.199 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -28.519 -16.473 -30.986 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -27.894 -15.700 -32.170 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -14.490 -9.904 -31.994 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -15.437 -9.963 -31.759 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -14.025 -10.152 -31.175 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -28.530 -13.436 -21.943 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -28.232 -12.887 -21.212 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -27.762 -14.028 -22.124 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -27.671 -9.034 -23.893 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -28.393 -8.544 -24.343 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -28.118 -9.540 -23.210 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -22.919 -10.102 -32.379 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -22.071 -10.025 -31.904 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -23.468 -10.660 -31.794 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -25.161 -8.872 -24.964 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -26.027 -9.081 -24.548 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -25.140 -7.897 -24.981 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -17.008 -7.131 -31.927 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -17.938 -7.212 -32.170 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -16.702 -8.050 -31.849 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -20.525 -10.905 -30.873 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -19.653 -11.314 -31.040 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -21.109 -11.665 -30.689 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -25.177 -12.014 -20.499 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -25.850 -11.898 -19.801 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -24.505 -12.579 -20.088 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -25.822 -20.770 -31.055 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -24.898 -20.541 -30.798 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -25.789 -21.720 -31.234 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -30.045 -21.649 -35.825 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -30.353 -22.508 -36.135 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -30.874 -21.137 -35.671 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -23.319 -19.710 -30.948 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -23.429 -18.896 -30.423 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -22.729 -19.447 -31.679 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -25.737 -15.132 -19.320 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -25.282 -15.895 -18.953 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -26.019 -14.625 -18.537 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -22.031 -13.239 -30.894 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -22.120 -14.008 -30.287 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -22.853 -12.724 -30.747 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -17.413 -17.089 -17.966 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -17.062 -16.877 -18.859 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -18.376 -17.087 -18.082 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -21.830 -11.208 -19.622 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -21.750 -11.238 -18.639 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -22.206 -12.085 -19.851 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -17.604 -13.865 -29.008 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -17.011 -14.514 -28.615 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -18.497 -14.295 -28.956 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -22.646 -18.166 -16.331 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -23.545 -17.759 -16.302 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -22.819 -19.109 -16.416 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -12.653 -12.636 -20.000 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -13.210 -13.430 -19.845 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -13.290 -11.952 -20.305 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -17.794 -11.242 -27.961 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -18.428 -11.539 -27.263 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -17.527 -12.073 -28.399 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -20.273 -14.736 -19.285 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -21.170 -14.415 -19.507 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -20.429 -15.575 -18.801 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -24.541 -13.676 -27.450 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -24.544 -12.910 -26.826 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -24.663 -13.271 -28.319 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -22.681 -15.269 -29.145 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -23.210 -14.930 -28.400 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -23.171 -16.065 -29.442 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -24.601 -11.587 -25.673 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -24.483 -11.841 -24.733 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -24.743 -10.619 -25.640 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -20.612 -16.944 -14.925 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -21.438 -17.357 -15.260 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -20.858 -16.002 -14.779 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -17.994 -10.079 -33.942 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -17.619 -10.956 -34.181 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -17.718 -9.947 -33.019 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -12.186 -9.042 -33.212 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -11.865 -8.860 -32.301 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -13.109 -9.352 -33.077 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -25.461 -14.175 -31.278 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -26.321 -14.492 -30.951 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -25.120 -14.925 -31.808 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -28.126 -20.870 -34.040 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -28.882 -21.154 -34.598 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -27.638 -20.231 -34.606 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -27.415 -14.028 -27.664 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -26.502 -14.082 -27.336 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -27.952 -13.857 -26.860 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -14.229 -11.176 -38.633 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -14.395 -11.634 -39.479 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -13.285 -10.931 -38.681 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -26.042 -11.764 -15.661 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -25.055 -11.778 -15.650 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -26.288 -11.635 -14.715 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -18.717 -14.330 -33.496 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -18.061 -13.699 -33.871 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -19.055 -14.815 -34.281 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -19.687 -13.268 -17.037 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -19.715 -13.791 -17.866 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -20.477 -12.664 -17.107 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -24.744 -16.463 -32.609 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -25.274 -17.231 -32.896 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -24.114 -16.322 -33.350 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -22.509 -18.707 -33.514 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -22.638 -17.820 -33.908 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -22.320 -19.282 -34.285 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -16.514 -16.695 -14.137 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -15.947 -16.518 -14.918 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -17.048 -17.473 -14.399 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -20.362 -17.018 -17.703 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -21.215 -17.463 -17.546 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -20.057 -16.775 -16.810 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -15.299 -15.995 -16.653 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -16.067 -16.425 -17.099 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -14.619 -15.949 -17.344 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -30.530 -9.800 -27.120 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -30.176 -10.529 -27.652 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -31.052 -10.250 -26.421 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -31.757 -11.586 -25.385 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -31.338 -12.254 -24.804 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -32.351 -11.090 -24.782 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -14.888 -13.947 -13.517 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -14.283 -14.718 -13.650 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -15.095 -13.651 -14.429 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -16.313 -16.253 -20.330 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -17.022 -15.691 -20.731 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -15.649 -16.336 -21.033 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -14.121 -14.948 -19.278 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -15.067 -15.158 -19.372 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -13.701 -15.415 -20.034 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -18.744 -8.755 -24.292 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -18.517 -8.284 -23.468 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -18.068 -8.467 -24.930 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -27.096 -11.741 -18.352 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -26.748 -11.561 -17.452 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -27.743 -11.026 -18.509 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -29.003 -13.253 -25.591 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -28.381 -12.734 -25.064 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -29.681 -13.536 -24.944 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -27.026 -11.152 -31.234 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -27.517 -11.887 -30.797 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -26.578 -11.580 -31.991 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -17.335 -8.530 -26.864 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -17.910 -8.292 -27.610 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -17.183 -9.484 -26.980 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -27.925 -14.657 -2.966 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -27.557 -15.093 -3.741 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -28.788 -15.066 -2.850 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -16.447 -17.609 -5.535 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -15.613 -17.079 -5.562 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -16.169 -18.470 -5.145 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -15.766 -19.907 -4.278 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -14.831 -20.123 -4.146 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -16.121 -19.831 -3.370 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -21.620 -19.286 -7.143 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -20.794 -19.546 -6.671 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -21.502 -19.646 -8.048 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -21.004 -13.374 -2.289 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -21.195 -12.453 -2.026 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -21.043 -13.873 -1.452 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -22.802 -12.417 0.439 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -22.380 -11.724 -0.111 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -23.664 -12.564 0.015 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -25.336 -13.288 -10.319 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -26.122 -12.725 -10.500 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -24.627 -12.872 -10.832 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -16.264 -9.426 -0.365 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -16.735 -9.891 -1.081 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -16.806 -8.643 -0.194 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -21.141 -19.695 -9.823 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -21.147 -20.341 -10.538 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -21.422 -18.858 -10.253 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -18.446 -18.575 -14.579 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -19.246 -18.004 -14.661 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -18.521 -19.196 -15.313 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -12.542 -18.042 -4.072 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -12.886 -18.637 -3.368 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -11.997 -18.631 -4.637 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -17.608 -17.029 -7.935 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -17.961 -17.836 -8.370 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -17.183 -17.366 -7.113 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -16.247 -19.497 -1.593 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -17.051 -20.012 -1.376 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -16.495 -18.568 -1.379 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -21.821 -16.732 -8.186 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -21.848 -16.879 -9.153 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -21.673 -17.623 -7.813 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -22.592 -15.765 -4.121 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -22.956 -14.984 -4.591 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -22.973 -16.531 -4.599 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -23.384 -18.133 -5.402 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -23.891 -18.881 -5.075 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -22.729 -18.538 -6.020 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -21.265 -10.795 -1.228 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -21.785 -10.204 -1.831 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -20.786 -10.166 -0.634 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -18.972 -16.104 -11.070 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -19.125 -15.647 -10.222 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -18.121 -15.736 -11.385 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -21.037 -14.229 -14.764 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -21.859 -13.709 -14.740 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -20.568 -13.897 -15.557 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -28.755 -11.233 -6.810 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -28.284 -12.052 -6.615 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -29.503 -11.515 -7.388 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -18.298 -10.731 -1.948 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -18.266 -11.249 -1.120 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -19.228 -10.488 -2.036 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -18.223 -14.460 -14.227 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -19.151 -14.730 -14.136 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -17.716 -15.289 -14.119 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -18.421 -19.369 -9.198 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -18.274 -19.204 -10.160 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -19.367 -19.601 -9.145 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -18.499 -19.533 1.419 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -19.084 -18.772 1.649 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -17.811 -19.509 2.088 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -15.829 -19.936 -8.552 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -16.773 -19.857 -8.809 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -15.858 -20.217 -7.634 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -18.398 -16.933 -3.704 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -17.745 -17.089 -4.422 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -18.908 -17.769 -3.660 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -19.331 -19.821 -5.758 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -18.418 -20.125 -5.752 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -19.543 -19.677 -4.809 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -19.762 -19.224 -3.125 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -19.411 -19.801 -2.410 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -20.417 -18.656 -2.673 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -17.224 -16.941 -1.252 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -17.570 -16.157 -0.778 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -17.577 -16.846 -2.163 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -24.324 -16.246 -7.229 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -24.235 -16.929 -6.543 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -23.457 -16.254 -7.685 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -22.043 -16.973 0.379 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -21.724 -17.088 -0.547 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -22.945 -17.311 0.362 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -9.031 -15.857 -2.444 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -9.832 -15.752 -3.018 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -8.624 -14.965 -2.439 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -25.281 -17.451 -16.282 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -25.506 -16.860 -15.529 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -26.135 -17.745 -16.614 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -22.934 -13.463 -5.665 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -23.713 -13.449 -6.266 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -22.312 -12.832 -6.069 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -13.810 -9.956 0.905 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -14.652 -9.815 0.413 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -13.352 -9.094 0.847 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -15.879 -15.296 -9.113 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -16.449 -16.016 -8.762 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -16.021 -15.333 -10.086 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -25.801 -10.838 -4.060 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -25.049 -11.363 -4.357 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -25.698 -10.803 -3.088 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -24.173 -13.240 -13.187 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -24.981 -12.697 -13.028 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -23.788 -12.855 -14.009 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -18.728 -20.671 -1.013 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -18.728 -20.206 -0.138 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -18.971 -21.577 -0.795 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -14.072 -16.327 -5.564 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -13.593 -16.929 -4.955 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -13.362 -15.888 -6.068 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -16.768 -12.377 2.629 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -17.130 -12.509 1.740 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -16.155 -13.132 2.754 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -20.954 -14.471 0.255 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -21.619 -13.818 0.555 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -21.365 -15.341 0.456 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -21.954 -17.215 -10.925 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -22.771 -16.806 -11.282 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -21.236 -16.758 -11.393 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -18.455 -18.709 -11.811 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -18.673 -17.773 -11.622 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -18.347 -18.739 -12.782 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -18.244 -14.761 0.163 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -19.218 -14.860 0.255 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -18.110 -13.796 0.148 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -16.419 -15.357 -11.782 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -16.430 -16.068 -12.463 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -15.933 -14.627 -12.221 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -21.086 -16.939 -2.181 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -20.254 -16.487 -2.381 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -21.738 -16.526 -2.801 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -16.379 -16.230 1.520 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -16.189 -16.819 0.775 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -17.135 -15.691 1.206 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -26.729 -7.235 -8.432 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -25.843 -7.621 -8.453 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -27.324 -8.003 -8.601 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -12.393 -14.172 1.605 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -12.156 -13.305 1.204 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -11.543 -14.655 1.643 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -13.232 -16.078 -9.180 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -13.431 -16.995 -9.495 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -14.116 -15.666 -9.085 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -11.840 -15.359 -11.467 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -12.303 -15.661 -10.658 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -11.665 -14.425 -11.305 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -14.188 -18.423 -10.113 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -14.696 -19.017 -9.514 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -14.599 -18.551 -10.974 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -12.045 -16.336 3.712 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -12.808 -16.191 3.137 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -11.278 -16.330 3.097 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -10.921 -19.525 -5.719 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -10.105 -19.007 -5.902 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -11.227 -19.801 -6.590 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -13.573 -19.853 -2.302 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -14.464 -19.726 -1.909 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -13.073 -20.305 -1.615 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -22.694 -9.043 -2.745 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -23.419 -8.672 -2.212 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -22.842 -8.660 -3.645 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -19.922 -9.058 0.348 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -20.357 -8.875 1.201 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -19.380 -8.256 0.180 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -18.563 -10.383 2.890 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -18.269 -9.723 3.538 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -17.915 -11.119 2.986 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -25.574 -10.631 -1.324 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -25.832 -10.740 -0.403 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -25.340 -9.678 -1.397 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -18.618 -11.993 0.510 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -19.552 -12.252 0.521 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -18.588 -11.188 1.073 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -27.659 -9.208 -5.141 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -26.952 -9.760 -4.725 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -28.051 -9.800 -5.815 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -24.955 -13.622 -7.543 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -24.873 -14.598 -7.464 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -25.138 -13.474 -8.492 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -15.103 -14.731 8.377 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -14.618 -15.578 8.469 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -15.942 -14.879 8.865 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -17.954 -8.533 12.974 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -18.640 -8.660 13.668 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -17.974 -9.368 12.463 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -17.647 -14.850 9.439 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -18.347 -15.495 9.294 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -17.905 -14.399 10.280 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -17.483 -10.887 11.523 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -17.606 -10.540 10.607 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -16.527 -10.866 11.654 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -12.430 -10.079 8.827 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -12.840 -10.892 8.462 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -12.874 -9.954 9.691 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -18.493 -13.464 11.612 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -18.203 -12.532 11.513 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -18.848 -13.506 12.503 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -17.443 -9.966 8.998 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -16.769 -9.563 8.404 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -17.632 -10.841 8.583 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -20.001 -17.397 2.195 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -20.788 -17.306 1.621 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -20.070 -16.642 2.815 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -21.938 -13.241 2.996 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -22.052 -12.523 3.660 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -22.346 -12.884 2.186 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -16.182 -13.833 5.981 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -16.710 -14.501 5.481 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -15.789 -14.341 6.722 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -17.636 -15.636 4.505 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -17.326 -16.134 3.737 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -18.571 -15.429 4.296 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -22.226 -11.089 4.672 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -21.932 -10.369 4.082 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -22.235 -10.689 5.548 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -13.656 -8.917 11.013 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -14.147 -8.393 10.368 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -14.167 -8.805 11.849 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -17.629 -12.463 7.893 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -17.690 -13.271 8.435 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -17.199 -12.764 7.068 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -20.320 -15.244 3.895 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -20.802 -14.501 3.456 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -20.817 -15.398 4.705 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -14.843 -14.307 2.716 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -15.312 -15.078 2.326 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -13.985 -14.276 2.229 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -21.317 -5.947 5.447 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -21.969 -6.420 4.873 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -21.647 -5.043 5.481 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -13.321 -12.644 7.941 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -12.455 -13.082 8.015 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -13.968 -13.344 8.193 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -19.585 -7.998 4.890 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -20.111 -7.190 5.069 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -18.969 -8.048 5.633 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -20.595 1.535 -44.054 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -20.664 2.480 -44.317 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -19.723 1.479 -43.608 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -23.988 2.906 -37.325 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -24.894 3.099 -36.997 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -23.408 3.419 -36.732 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -16.870 3.212 -41.096 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -16.683 4.133 -41.382 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -17.315 3.316 -40.235 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -28.365 3.790 -44.210 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -27.533 3.780 -43.724 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -28.135 3.461 -45.084 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -17.614 5.469 -44.254 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -16.977 5.103 -44.911 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -17.081 5.565 -43.433 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -24.117 -2.117 -42.208 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -23.512 -1.359 -42.332 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -24.251 -2.466 -43.118 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -16.390 -2.286 -43.166 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -15.701 -1.814 -42.651 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -15.887 -2.989 -43.649 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -30.080 -5.090 -42.861 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -29.233 -4.819 -43.241 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -30.696 -5.056 -43.603 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -22.375 0.086 -42.475 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -22.906 0.814 -42.141 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -21.745 0.515 -43.096 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -20.120 4.228 -44.505 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -20.510 5.111 -44.544 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -19.160 4.396 -44.442 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -23.537 -3.310 -35.594 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -23.022 -2.640 -35.121 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -23.865 -2.842 -36.395 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -22.621 4.297 -35.444 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -21.880 4.923 -35.238 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -23.400 4.726 -35.062 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -26.125 -7.967 -38.897 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -25.549 -8.055 -38.103 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -25.502 -8.054 -39.658 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -15.804 4.275 -45.927 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -15.682 3.335 -45.667 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -15.310 4.360 -46.746 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -15.374 1.698 -45.178 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -15.102 1.809 -44.241 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -16.064 0.995 -45.145 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -13.863 0.347 -46.985 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -14.357 0.914 -46.356 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -14.257 0.540 -47.837 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -25.194 4.209 -39.417 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -24.691 5.042 -39.302 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -24.701 3.559 -38.884 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -27.881 4.874 -39.424 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -27.678 5.606 -38.798 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -27.002 4.492 -39.632 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -24.614 -2.113 -37.838 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -25.511 -2.231 -38.223 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -24.351 -1.217 -38.110 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -27.271 1.263 -35.732 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -27.472 0.772 -36.561 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -26.868 2.101 -36.043 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -14.559 -5.744 -48.372 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -15.308 -5.111 -48.232 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -14.631 -5.993 -49.299 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -29.638 2.739 -35.973 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -28.945 2.087 -35.763 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -29.219 3.609 -35.760 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -30.614 4.589 -42.846 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -31.247 4.770 -43.543 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -29.806 4.297 -43.324 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -11.480 6.232 -34.943 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -11.403 5.543 -35.643 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -10.971 5.865 -34.192 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -26.426 3.740 -36.572 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -27.044 4.191 -35.936 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -26.470 4.297 -37.369 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -25.502 -5.262 -38.238 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -25.923 -6.097 -38.496 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -25.457 -4.749 -39.069 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -24.628 -8.243 -41.170 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -23.679 -8.124 -41.416 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -24.877 -9.091 -41.589 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -19.883 -0.878 -45.259 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -20.327 -0.033 -45.034 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -18.949 -0.623 -45.409 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -19.142 -2.309 -43.000 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -19.321 -1.786 -43.807 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -18.160 -2.385 -42.978 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -25.466 -3.897 -40.652 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -24.974 -3.246 -41.209 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -25.656 -4.645 -41.272 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -24.178 -3.033 -44.772 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -24.438 -3.466 -45.589 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -23.200 -3.089 -44.771 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -13.667 11.910 -33.367 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -13.049 12.322 -33.980 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -13.091 11.532 -32.663 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -28.083 -0.285 -37.794 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -28.750 0.058 -38.423 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -27.632 -1.000 -38.291 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -32.054 -3.965 -35.028 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -31.670 -3.878 -35.920 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -31.354 -3.620 -34.435 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -18.099 6.450 -35.898 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -17.593 6.910 -35.187 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -17.914 6.978 -36.703 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -27.022 6.570 -37.493 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -26.517 7.398 -37.510 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -27.533 6.613 -36.650 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -18.886 -5.655 -46.902 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -19.564 -6.025 -47.473 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -19.281 -5.699 -46.000 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -21.393 -3.145 -44.569 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -21.014 -2.486 -45.186 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -21.026 -2.894 -43.707 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -21.965 -8.040 -41.787 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -21.595 -8.746 -41.206 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -21.251 -7.848 -42.408 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -14.309 9.041 -41.329 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -13.557 9.343 -41.847 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -14.133 8.085 -41.185 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -28.148 -8.947 -40.436 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -27.467 -8.533 -39.863 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -28.851 -9.201 -39.824 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -31.537 -0.841 -32.839 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -32.487 -0.875 -32.680 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -31.362 0.098 -33.047 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -13.857 6.416 -40.702 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -14.404 6.305 -39.887 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -12.936 6.308 -40.380 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -13.217 7.455 -36.704 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -13.648 8.169 -36.211 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -12.581 7.071 -36.063 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -18.192 1.420 -42.734 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -18.559 1.034 -41.905 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -17.653 2.174 -42.421 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -14.768 2.103 -42.503 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -15.508 2.425 -41.940 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -14.079 2.768 -42.390 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -17.271 -0.199 -44.700 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -17.606 0.357 -43.958 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -16.873 -0.978 -44.253 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -28.369 -1.246 -35.182 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -27.958 -0.406 -34.909 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -28.495 -1.142 -36.144 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -14.920 -4.059 -44.576 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -13.991 -3.858 -44.802 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -15.054 -4.967 -44.898 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -15.392 -6.521 -45.816 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -15.160 -6.289 -46.740 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -16.353 -6.636 -45.835 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -26.022 -6.062 -42.133 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -26.835 -6.492 -42.464 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -25.459 -6.809 -41.845 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -31.235 -4.805 -40.375 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -30.841 -4.931 -41.262 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -30.901 -3.935 -40.087 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -20.657 6.047 -34.998 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -20.830 6.756 -34.336 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -19.741 6.221 -35.296 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -16.650 7.585 -33.830 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -15.876 8.165 -33.955 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -17.051 7.898 -32.998 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -17.414 7.950 -38.158 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -17.790 7.349 -38.844 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -17.096 8.724 -38.673 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -26.579 9.458 -32.273 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -26.121 10.324 -32.352 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -25.900 8.812 -32.489 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -20.551 6.549 -41.511 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -21.465 6.302 -41.672 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -20.212 6.809 -42.399 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -18.233 6.278 -40.109 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -18.340 5.423 -39.645 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -19.082 6.396 -40.597 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -14.451 9.406 -34.470 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -14.342 10.276 -34.032 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -14.889 9.623 -35.328 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -30.443 5.476 -40.292 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -30.509 5.152 -41.221 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -29.496 5.350 -40.064 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -23.726 6.550 -38.887 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -23.087 7.095 -39.355 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -24.389 7.189 -38.557 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -24.734 -12.958 -41.158 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -25.177 -12.178 -41.567 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -23.793 -12.762 -41.238 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -16.705 -4.284 -47.717 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -16.704 -3.485 -47.180 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -17.540 -4.744 -47.463 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -15.105 6.364 -38.335 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -14.428 6.707 -37.711 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -15.920 6.826 -38.082 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -13.219 4.728 -28.831 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -13.288 5.201 -27.967 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -14.139 4.522 -29.061 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -16.729 -5.648 -29.598 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -16.190 -6.143 -28.967 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -16.735 -6.207 -30.404 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -13.268 6.169 -26.542 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -12.779 6.119 -25.710 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -13.594 7.095 -26.570 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -17.282 4.619 -33.881 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -16.731 5.319 -33.509 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -17.639 5.008 -34.694 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -17.561 -3.104 -29.704 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -18.097 -3.049 -30.502 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -17.248 -4.042 -29.688 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -15.681 -6.287 -26.323 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -14.753 -6.580 -26.471 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -16.208 -7.103 -26.428 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -27.046 -8.620 -32.229 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -27.028 -9.512 -31.819 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -27.156 -8.021 -31.486 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -17.142 -9.919 -31.292 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -17.400 -10.870 -31.251 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -17.654 -9.504 -30.560 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -24.344 -11.803 -30.652 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -25.109 -11.243 -30.432 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -24.752 -12.658 -30.943 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -24.225 -2.349 -5.382 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -24.681 -3.094 -4.931 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -23.341 -2.351 -5.002 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -25.119 4.087 -3.988 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -25.625 4.320 -3.189 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -24.523 3.368 -3.691 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -17.443 5.340 -6.876 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -17.071 6.229 -7.047 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -18.164 5.503 -6.230 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -21.187 0.628 -1.756 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -21.303 -0.215 -1.284 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -20.529 1.113 -1.215 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -23.515 2.097 -2.655 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -23.647 2.030 -1.691 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -22.634 1.709 -2.796 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -15.708 3.754 -5.519 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -15.635 2.941 -6.054 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -16.345 4.316 -6.021 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -15.062 4.131 -2.791 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -15.383 4.036 -3.710 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -15.215 5.080 -2.581 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -21.081 6.394 -3.031 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -21.601 7.214 -3.069 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -21.086 6.151 -2.077 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -23.957 4.649 -0.370 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -24.922 4.558 -0.405 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -23.757 5.312 -1.067 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -23.893 -0.744 -0.275 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -22.960 -1.020 -0.184 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -23.878 0.213 -0.069 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -25.775 -0.726 -3.666 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -25.286 -1.081 -4.436 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -25.331 0.112 -3.468 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -19.824 5.351 1.884 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -19.766 4.896 2.756 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -19.426 6.211 2.042 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -24.021 9.371 -5.992 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -23.513 10.201 -6.063 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -23.560 8.756 -6.603 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -19.364 12.970 -12.875 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -20.020 12.260 -13.093 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -19.370 13.551 -13.665 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -24.195 -4.540 -7.357 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -23.529 -5.243 -7.169 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -23.919 -3.797 -6.802 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -24.788 -4.544 -3.831 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -25.150 -4.112 -3.035 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -25.332 -5.356 -3.933 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -19.483 1.599 0.190 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -18.676 1.036 0.154 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -19.198 2.389 0.663 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -27.455 -3.598 -5.191 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -28.217 -4.198 -5.301 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -27.833 -2.810 -4.739 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -21.318 -1.698 -0.160 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -21.541 -2.553 0.265 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -20.336 -1.630 -0.054 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -21.380 5.780 -0.356 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -22.212 5.345 -0.106 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -20.773 5.582 0.388 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -12.442 3.603 -2.109 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -12.599 3.233 -1.237 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -13.339 3.834 -2.436 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -24.038 6.437 -2.479 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -23.679 5.881 -3.189 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -23.709 7.342 -2.697 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -22.226 -4.624 -4.656 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -23.154 -4.663 -4.321 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -22.176 -5.381 -5.296 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -14.051 6.049 -8.432 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -14.112 7.024 -8.351 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -14.651 5.837 -9.167 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -19.381 4.253 4.310 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -19.158 4.507 5.208 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -19.175 3.289 4.274 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -23.281 2.007 0.139 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -23.503 2.965 0.124 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -22.325 1.988 0.286 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -21.518 -4.607 -1.976 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -21.844 -3.704 -1.867 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -21.795 -4.853 -2.882 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -15.286 1.579 -0.746 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -16.115 1.085 -0.539 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -15.567 2.275 -1.360 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -21.419 -4.310 0.754 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -20.507 -4.407 1.099 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -21.373 -4.676 -0.153 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -19.673 -3.522 -4.343 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -20.538 -3.943 -4.535 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -19.885 -2.592 -4.224 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -18.912 -5.424 -2.451 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -19.824 -5.372 -2.108 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -18.907 -4.794 -3.196 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -18.435 -6.714 -0.030 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -18.495 -5.925 0.547 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -18.426 -6.345 -0.938 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -21.009 -9.244 2.959 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -20.337 -9.931 2.759 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -20.563 -8.672 3.628 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -22.871 -7.318 3.695 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -22.447 -8.101 3.300 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -23.232 -6.825 2.922 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -28.065 8.496 -9.335 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -28.926 8.154 -9.078 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -27.507 8.373 -8.536 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -26.224 8.169 -7.316 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -26.234 7.287 -6.877 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -25.655 8.716 -6.736 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -11.195 0.547 -1.536 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -10.495 -0.127 -1.654 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -10.988 1.222 -2.204 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -15.400 6.859 -2.392 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -15.986 6.985 -3.177 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -15.530 7.654 -1.875 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -28.452 -1.406 -3.943 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -29.025 -0.770 -3.463 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -27.548 -1.051 -3.819 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -13.097 0.460 0.372 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -13.845 0.950 -0.051 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -12.381 0.479 -0.310 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -15.003 -1.443 0.820 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -15.772 -0.899 0.534 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -14.228 -0.881 0.627 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -25.233 -2.707 -1.705 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -24.768 -2.091 -1.093 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -25.660 -2.112 -2.355 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -17.614 6.633 -10.144 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -16.869 6.075 -10.438 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -17.935 7.061 -10.972 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -26.090 -13.433 -1.226 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -26.035 -12.508 -1.507 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -26.756 -13.828 -1.825 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -26.376 5.286 -1.758 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -25.623 5.867 -2.018 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -27.103 5.896 -1.603 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -20.913 10.005 -4.646 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -20.624 9.297 -5.254 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -21.254 10.701 -5.242 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -22.947 8.646 -3.522 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -22.161 9.221 -3.666 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -23.540 8.869 -4.268 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -26.128 5.648 -6.149 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -25.755 5.210 -5.356 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -26.103 4.966 -6.826 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -23.007 7.809 -8.004 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -23.000 6.838 -8.125 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -23.511 8.144 -8.771 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -25.044 -7.920 -1.610 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -25.072 -7.100 -1.083 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -25.382 -7.647 -2.494 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -11.743 -11.689 0.661 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -12.546 -11.127 0.601 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -11.049 -11.159 0.232 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -17.743 2.317 11.183 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -18.633 2.494 11.503 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -17.721 1.344 11.057 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -15.758 -8.674 7.346 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -15.019 -8.032 7.332 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -16.128 -8.628 6.445 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -18.400 -2.372 5.033 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -17.560 -2.496 4.557 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -18.900 -1.758 4.469 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -18.973 -0.744 2.715 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -19.891 -0.447 2.769 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -18.849 -0.968 1.757 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -17.251 -3.173 9.543 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -16.489 -2.625 9.839 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -17.661 -3.478 10.369 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -14.030 -3.500 7.456 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -14.837 -3.973 7.747 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -14.319 -2.567 7.358 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -16.568 -2.180 2.907 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -15.969 -2.103 2.127 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -17.310 -1.577 2.697 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -19.459 -6.302 7.443 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -19.272 -5.340 7.497 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -20.259 -6.354 6.885 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -19.047 -3.576 7.442 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -18.833 -3.130 6.588 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -18.313 -3.324 8.036 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -17.578 -0.397 10.620 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -17.820 -0.752 9.752 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -16.625 -0.604 10.703 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -23.525 -6.004 1.407 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -22.804 -5.361 1.252 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -24.198 -5.776 0.737 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -20.814 -2.567 9.312 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -20.855 -3.271 10.000 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -20.285 -2.973 8.592 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -20.218 -4.248 11.385 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -19.524 -4.883 11.659 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -20.094 -3.487 11.978 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -15.254 2.799 10.202 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -16.139 2.750 10.629 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -14.709 3.266 10.841 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -21.991 -0.642 7.703 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -21.543 -1.308 8.271 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -22.817 -0.461 8.162 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -17.700 -7.171 9.321 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -17.658 -8.148 9.298 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -18.424 -6.948 8.689 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -18.080 -5.985 11.797 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -18.081 -6.788 12.352 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -17.918 -6.325 10.891 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -18.927 1.595 4.387 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -19.707 1.137 4.773 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -18.519 0.924 3.817 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -21.166 0.333 5.280 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -21.316 -0.115 6.145 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -21.987 0.805 5.117 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -14.600 -1.227 4.650 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -15.275 -1.630 4.068 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -14.001 -0.757 4.034 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -16.166 1.198 8.192 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -15.687 1.744 8.858 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -16.985 1.679 8.041 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -15.065 -1.609 10.041 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -14.216 -2.050 10.264 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -14.882 -1.164 9.191 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -14.613 -0.822 7.318 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -14.678 -0.909 6.334 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -15.170 -0.032 7.527 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -16.033 -5.227 8.314 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -16.522 -4.493 8.743 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -16.513 -6.034 8.609 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -10.057 -3.926 9.745 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -9.252 -3.614 10.166 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -9.788 -4.762 9.305 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -19.821 -1.497 11.822 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -20.261 -1.637 10.967 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -18.995 -1.033 11.593 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -15.239 -8.306 13.134 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -15.093 -7.677 13.846 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -16.217 -8.380 13.077 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -13.971 -6.602 7.133 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -13.592 -6.038 6.428 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -14.654 -6.034 7.554 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -19.856 -8.936 14.886 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -20.701 -9.394 14.841 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -19.913 -8.407 15.688 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -18.682 -4.287 1.397 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -18.642 -3.422 0.913 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -18.198 -4.117 2.217 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -24.374 13.106 -35.925 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -25.266 12.774 -35.702 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -24.265 13.905 -35.355 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -16.192 9.953 -39.639 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -15.495 9.566 -40.227 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -16.558 10.678 -40.157 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -25.519 17.311 -33.024 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -25.389 17.978 -32.307 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -26.305 16.804 -32.735 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -25.792 20.157 -38.580 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -25.795 20.999 -39.082 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -24.973 19.718 -38.854 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -15.308 17.660 -34.279 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -15.357 17.623 -35.239 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -14.865 18.526 -34.097 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -24.367 19.361 -34.437 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -24.447 19.061 -35.367 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -24.743 18.620 -33.918 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -25.284 8.886 -38.073 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -25.970 9.453 -38.485 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -24.574 9.516 -37.833 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -21.072 8.194 -33.392 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -21.557 8.932 -33.805 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -20.788 8.544 -32.541 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -21.963 16.866 -35.698 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -21.864 16.635 -36.648 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -21.143 16.524 -35.284 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -25.855 14.294 -39.099 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -26.110 14.852 -38.339 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -26.707 14.060 -39.520 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -25.169 19.200 -31.148 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -24.602 20.007 -31.111 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -25.973 19.451 -30.629 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -26.411 15.700 -36.712 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -25.830 16.490 -36.745 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -26.133 15.236 -35.906 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -24.102 15.480 -34.622 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -24.588 16.085 -34.028 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -23.307 15.985 -34.881 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -26.567 11.329 -36.010 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -26.273 10.439 -35.784 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -26.671 11.307 -36.987 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -21.875 16.113 -38.345 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -22.383 15.279 -38.480 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -20.940 15.813 -38.279 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -26.985 11.003 -38.719 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -27.942 10.779 -38.763 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -26.921 11.852 -39.194 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -21.821 20.245 -33.803 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -21.365 19.651 -34.408 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -22.771 20.028 -33.927 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -23.366 18.329 -39.112 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -23.046 18.604 -39.975 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -22.836 17.526 -38.905 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -18.435 19.016 -31.593 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -19.302 19.286 -31.238 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -17.864 19.784 -31.433 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -23.306 13.787 -38.399 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -24.150 13.968 -38.875 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -23.585 13.646 -37.473 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -23.541 10.971 -37.425 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -23.885 11.701 -36.858 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -23.110 11.433 -38.163 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -24.476 17.778 -36.662 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -24.257 18.062 -37.576 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -23.632 17.436 -36.310 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -19.555 15.635 -34.837 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -19.459 14.807 -34.330 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -18.979 16.272 -34.357 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -14.147 20.090 -33.912 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -14.593 20.248 -33.045 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -13.669 20.904 -34.084 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -26.730 13.869 -33.935 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -27.600 13.449 -34.082 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -26.905 14.553 -33.264 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -22.631 9.668 -35.170 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -22.660 8.749 -35.465 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -22.909 10.182 -35.958 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -19.396 15.264 -37.582 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -19.448 15.372 -36.608 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -18.567 14.802 -37.724 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -18.311 14.107 -32.754 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -17.451 13.674 -32.569 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -18.099 15.061 -32.762 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -25.194 11.852 -32.637 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -25.174 12.424 -31.835 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -25.590 12.426 -33.323 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -22.432 11.340 -32.948 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -23.369 11.537 -32.758 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -22.460 10.859 -33.796 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -30.678 12.353 -36.565 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -31.308 11.629 -36.363 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -30.090 12.387 -35.777 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -11.774 10.635 -31.828 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -10.835 10.812 -31.700 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -11.795 9.786 -32.332 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -28.251 13.364 -39.957 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -28.643 13.147 -40.811 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -28.995 13.730 -39.439 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -27.341 20.094 -29.811 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -28.150 20.467 -30.216 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -27.482 20.204 -28.849 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -15.572 9.659 -36.896 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -15.472 9.993 -37.805 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -16.331 9.054 -36.952 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -19.748 7.127 -44.057 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -19.610 7.880 -44.639 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -18.938 6.577 -44.178 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -20.175 20.474 -24.343 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -19.677 20.983 -25.015 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -20.907 20.054 -24.853 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -16.611 19.710 -22.365 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -16.141 20.186 -23.065 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -15.959 19.051 -22.042 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -23.059 19.267 -23.402 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -22.919 19.341 -24.369 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -23.797 19.871 -23.216 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -23.678 22.149 -24.782 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -23.331 22.971 -25.204 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -22.903 21.755 -24.358 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -22.053 21.697 -27.764 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -22.141 20.993 -27.076 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -22.091 21.211 -28.602 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -22.285 21.754 -21.254 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -23.225 21.724 -21.502 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -22.071 20.827 -21.024 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -24.998 20.898 -21.922 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -25.788 21.136 -22.431 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -25.356 20.523 -21.093 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -27.507 20.158 -27.050 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -27.561 19.285 -26.657 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -26.555 20.402 -26.962 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -14.281 20.028 -19.712 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -13.975 20.308 -20.605 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -14.822 20.781 -19.397 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -14.860 17.822 -21.372 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -14.640 18.329 -20.567 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -15.032 16.916 -21.047 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -18.837 21.980 -26.219 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -19.282 22.827 -26.441 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -18.946 21.435 -27.031 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -23.116 26.314 -27.849 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -22.761 27.174 -28.088 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -23.323 25.892 -28.710 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -26.908 20.082 -19.925 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -27.563 19.388 -20.171 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -26.879 20.042 -18.952 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -20.988 24.063 -30.075 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -21.019 23.355 -30.743 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -21.866 24.492 -30.141 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -12.769 10.764 -29.237 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -13.699 11.050 -29.389 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -12.377 10.750 -30.135 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -32.438 21.258 -25.178 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -33.021 21.507 -25.928 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -32.996 21.406 -24.384 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -28.688 22.587 -25.018 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -27.965 22.886 -25.580 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -28.957 23.387 -24.524 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -14.953 15.229 -18.309 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -15.155 15.100 -19.259 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -14.816 16.202 -18.224 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -28.323 22.299 -17.545 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -28.318 22.442 -16.578 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -28.167 21.336 -17.639 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -17.769 16.870 -33.177 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -16.920 17.207 -33.527 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -18.050 17.558 -32.527 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -29.422 17.455 -17.409 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -28.785 16.995 -16.825 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -29.869 16.718 -17.894 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -14.378 17.850 -18.067 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -14.271 18.707 -18.538 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -14.134 18.049 -17.153 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -19.758 22.249 -22.259 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -19.910 21.614 -22.986 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -20.633 22.316 -21.818 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -20.500 23.855 -27.333 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -21.092 23.074 -27.423 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -20.474 24.234 -28.235 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -21.668 19.032 -21.069 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -22.285 18.947 -21.832 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -20.777 19.013 -21.483 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -12.875 15.622 -30.179 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -13.464 15.739 -30.957 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -12.683 16.535 -29.883 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -19.228 18.902 -22.252 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -19.572 19.377 -23.038 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -18.273 19.118 -22.244 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -24.853 20.557 -26.755 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -24.446 21.061 -26.017 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -24.169 19.891 -26.997 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -24.430 22.740 -28.658 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -23.606 22.574 -28.156 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -25.068 22.119 -28.271 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -17.322 22.032 -21.058 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -17.125 21.150 -21.440 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -18.243 22.222 -21.357 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -17.484 21.519 -30.266 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -17.554 22.469 -30.121 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -17.949 21.125 -29.498 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -15.041 18.077 -29.970 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -15.491 18.032 -29.100 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -14.096 18.188 -29.738 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -26.722 23.678 -19.292 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -25.898 23.734 -18.802 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -27.324 23.185 -18.695 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -21.011 22.163 -32.103 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -21.322 21.505 -32.775 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -20.286 22.622 -32.544 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -22.768 18.098 -30.420 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -22.842 18.240 -29.436 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -23.612 18.451 -30.773 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -20.748 19.981 -30.343 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -21.539 19.398 -30.389 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -20.982 20.743 -30.911 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -23.644 24.881 -30.136 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -24.074 24.205 -29.564 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -24.068 24.750 -31.016 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -25.483 21.673 -33.389 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -26.327 21.291 -33.133 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -24.994 20.925 -33.793 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -33.343 19.974 -28.751 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -33.497 20.565 -27.985 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -34.220 19.558 -28.904 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -27.855 21.769 -14.767 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -27.394 20.911 -14.751 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -27.789 22.090 -13.863 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -23.472 21.293 -30.811 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -23.916 21.897 -30.182 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -23.008 21.884 -31.423 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -20.030 17.568 -19.394 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -20.836 18.025 -19.712 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -19.406 17.662 -20.125 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -18.968 20.305 -28.341 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -19.696 20.215 -29.003 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -18.717 19.392 -28.139 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -15.951 22.021 -18.728 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -15.774 22.944 -18.518 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -16.513 22.064 -19.542 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -28.925 18.284 -20.095 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -29.007 17.320 -20.322 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -29.098 18.311 -19.139 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -16.896 20.327 -16.717 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -17.755 20.758 -16.669 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -16.426 20.812 -17.426 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -15.443 20.273 -31.554 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -16.092 20.815 -31.059 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -15.343 19.463 -31.010 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -16.931 17.831 -15.680 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -16.933 18.742 -16.061 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -15.989 17.662 -15.479 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -27.544 16.316 -15.770 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -26.689 16.564 -16.147 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -27.373 15.445 -15.343 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -24.824 24.135 -32.469 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -25.031 23.214 -32.751 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -25.227 24.683 -33.147 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -29.498 24.617 -23.287 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -29.520 25.575 -23.382 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -28.705 24.449 -22.719 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -16.449 20.397 -25.923 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -17.311 20.731 -26.213 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -16.183 21.018 -25.218 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -16.662 22.327 -23.986 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -16.844 22.633 -23.083 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -17.457 22.569 -24.485 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -13.528 20.563 -22.347 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -13.339 21.252 -22.991 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -13.208 19.742 -22.772 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -15.377 18.205 -27.246 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -15.752 18.963 -26.745 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -14.563 17.977 -26.760 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -14.794 16.107 -32.057 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -15.030 16.806 -31.412 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -14.930 16.533 -32.929 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -14.326 14.056 -28.450 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -14.570 14.613 -27.701 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -13.826 14.654 -29.043 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -14.284 17.043 -15.068 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -13.790 17.463 -14.353 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -14.761 16.296 -14.624 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -12.710 15.156 -16.756 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -13.453 14.982 -17.374 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -13.074 15.807 -16.130 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -15.708 13.412 -32.177 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -15.356 14.327 -32.146 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -15.025 12.909 -32.670 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -11.157 13.619 -29.533 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -11.809 14.276 -29.861 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -11.615 13.178 -28.791 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -27.856 21.398 -22.200 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -27.732 22.364 -22.106 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -27.652 21.043 -21.309 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -27.243 24.068 -21.916 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -27.016 24.022 -20.954 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -26.373 24.203 -22.362 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -24.937 24.239 -23.395 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -24.688 23.355 -23.726 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -24.258 24.823 -23.756 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -22.749 24.526 -25.773 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -23.113 25.186 -26.404 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -21.818 24.434 -26.044 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -33.811 27.151 -32.612 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -33.677 28.044 -32.286 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -32.996 26.670 -32.336 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -20.108 13.064 -7.866 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -19.301 13.476 -7.554 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -20.180 13.354 -8.801 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -18.866 8.599 -8.775 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -19.194 9.179 -9.475 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -18.411 7.870 -9.260 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -19.488 6.145 -5.211 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -20.013 6.056 -4.378 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -19.940 6.871 -5.699 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -21.343 17.486 -14.419 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -20.512 17.340 -13.929 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -21.050 17.561 -15.354 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -19.222 14.585 -15.041 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -19.272 15.460 -14.606 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -18.450 14.669 -15.654 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -17.129 15.219 -16.594 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -16.988 16.155 -16.365 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -16.401 15.012 -17.212 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -24.050 17.882 -14.128 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -23.086 17.893 -14.328 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -24.092 17.652 -13.179 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -21.497 16.021 -11.713 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -21.101 16.875 -11.927 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -22.455 16.212 -11.647 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -26.818 14.184 -14.247 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -27.006 13.235 -14.063 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -25.870 14.199 -14.498 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -22.064 11.417 -6.735 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -21.324 12.011 -6.990 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -22.598 11.342 -7.558 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -23.138 12.162 -11.842 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -23.946 11.738 -12.148 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -22.421 11.736 -12.378 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -24.230 16.644 -11.625 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -24.313 16.375 -10.703 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -25.152 16.593 -11.972 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -23.348 11.236 -9.117 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -23.126 11.677 -9.958 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -23.910 10.485 -9.382 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -19.112 11.306 -15.737 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -19.374 10.687 -15.014 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -18.156 11.147 -15.854 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -18.717 16.954 -13.669 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -18.093 16.627 -13.007 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -18.145 17.330 -14.372 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -13.075 13.879 -12.860 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -12.846 13.044 -12.418 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -12.399 13.965 -13.565 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -26.813 16.452 -12.640 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -26.742 15.616 -13.147 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -27.769 16.634 -12.620 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -16.723 12.565 -13.425 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -16.427 11.981 -12.716 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -17.683 12.688 -13.248 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -19.932 14.112 -10.428 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -20.511 14.802 -10.807 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -19.642 13.591 -11.205 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -26.530 19.182 -14.701 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -26.911 18.468 -14.169 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -25.565 19.012 -14.665 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -19.839 17.492 -16.673 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -18.886 17.569 -16.537 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -19.944 17.495 -17.653 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -24.380 15.215 -14.937 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -24.322 16.181 -14.797 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -23.606 14.857 -14.449 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -22.290 14.172 -13.584 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -21.828 14.847 -13.043 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -22.543 13.483 -12.935 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -16.375 11.298 -15.903 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -16.381 11.851 -15.093 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -16.487 11.939 -16.632 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -15.399 15.049 -13.606 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -15.997 14.277 -13.655 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -14.561 14.675 -13.246 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -16.263 8.173 -14.171 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -15.298 8.341 -14.112 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -16.581 8.840 -14.793 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -27.379 10.455 -11.062 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -28.019 11.173 -10.868 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -27.695 9.701 -10.512 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -20.578 8.172 -6.686 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -21.434 8.077 -7.157 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -19.943 8.419 -7.394 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -16.751 8.027 -7.083 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -15.945 8.369 -7.527 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -17.488 8.373 -7.627 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -14.435 8.786 -8.508 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -13.534 8.961 -8.149 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -14.360 9.018 -9.456 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -25.008 9.075 -9.713 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -25.505 8.741 -8.938 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -25.694 9.450 -10.291 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -17.103 7.263 -4.427 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -17.997 6.886 -4.540 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -16.905 7.672 -5.294 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -18.379 8.071 -12.296 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -19.084 8.583 -12.768 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -17.609 8.128 -12.893 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -27.417 11.548 -13.585 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -28.390 11.514 -13.717 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -27.286 11.178 -12.686 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -10.918 -13.174 -40.148 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -11.553 -13.833 -39.814 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -11.237 -12.326 -39.782 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -8.457 -12.508 -41.125 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -7.905 -13.290 -41.199 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -9.327 -12.853 -40.820 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -9.837 -10.040 -34.081 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -10.771 -9.807 -33.869 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -9.847 -11.000 -34.171 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -13.101 -8.580 -42.357 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -12.788 -8.538 -41.433 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -13.970 -9.034 -42.292 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -11.601 -10.495 -39.449 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -11.974 -9.586 -39.447 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -10.724 -10.385 -39.885 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -6.708 -5.740 -35.692 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -6.544 -4.959 -36.240 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -6.694 -6.481 -36.328 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -6.858 -4.800 -38.434 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -6.989 -5.762 -38.297 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -6.465 -4.737 -39.311 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -11.249 -5.490 -40.564 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -11.632 -5.658 -41.453 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -10.306 -5.361 -40.735 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -9.338 -9.986 -40.878 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -9.233 -9.590 -41.746 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -8.884 -10.859 -40.955 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 0.191 -17.304 -25.683 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -0.726 -17.199 -25.354 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 0.093 -17.801 -26.499 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 4.479 -18.281 -24.177 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 4.849 -19.166 -24.088 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 3.558 -18.432 -24.421 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -6.868 -16.801 -20.299 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -7.071 -15.938 -19.890 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -5.886 -16.838 -20.308 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 0.979 -14.752 -25.034 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 0.866 -15.685 -25.330 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 1.929 -14.683 -24.804 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -2.626 -16.345 -22.477 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -2.681 -16.662 -23.402 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -1.719 -15.983 -22.405 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -2.510 -16.700 -25.197 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -2.303 -15.798 -25.555 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -3.376 -16.905 -25.567 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -4.142 -16.702 -20.219 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -3.633 -16.710 -21.057 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -3.463 -16.552 -19.531 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -4.598 -10.730 -21.343 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -5.413 -11.139 -21.038 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -4.403 -11.184 -22.186 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -13.106 -10.648 -29.514 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -12.526 -10.496 -28.730 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -13.730 -11.318 -29.218 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -2.373 -11.030 -25.535 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -1.564 -11.534 -25.779 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -2.069 -10.094 -25.500 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -0.047 -12.391 -26.003 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 0.171 -13.295 -25.681 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 0.823 -11.976 -26.136 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 3.183 -14.821 -19.187 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 4.021 -15.072 -19.647 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 2.855 -15.652 -18.826 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -4.140 -12.129 -23.735 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -4.851 -12.293 -24.378 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -3.417 -11.741 -24.277 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -1.210 -14.237 -20.112 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -0.593 -14.483 -20.828 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -2.040 -14.007 -20.585 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -10.182 -13.899 -18.872 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -10.861 -13.435 -19.391 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -10.677 -14.320 -18.164 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -4.762 -14.225 -27.216 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -4.872 -13.263 -27.030 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -5.540 -14.456 -27.727 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -13.353 -16.169 -21.575 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -12.720 -16.920 -21.466 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -12.987 -15.659 -22.304 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 3.278 -13.059 -21.393 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 3.153 -13.654 -20.631 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 4.228 -12.837 -21.371 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -1.815 -6.763 -29.110 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -2.569 -6.746 -28.492 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -2.164 -6.368 -29.919 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -6.329 -6.620 -25.651 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -6.937 -6.028 -25.148 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -6.768 -7.485 -25.623 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 0.744 -6.852 -28.147 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 0.881 -7.759 -27.830 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -0.102 -6.897 -28.649 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -7.366 -14.387 -18.940 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -7.205 -14.001 -18.071 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -8.332 -14.259 -19.082 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 4.367 -9.277 -16.881 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 3.640 -9.836 -16.535 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 4.784 -8.904 -16.074 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -7.204 -11.548 -14.860 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -6.876 -11.383 -13.971 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -6.608 -12.242 -15.211 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 3.435 -14.055 -23.939 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 3.296 -13.686 -23.035 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 4.162 -14.702 -23.823 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -4.620 -16.267 -16.948 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -3.824 -16.122 -17.504 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -5.296 -16.552 -17.576 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -8.782 -18.522 -21.209 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -8.165 -17.824 -20.887 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -8.230 -19.301 -21.291 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 5.336 -15.235 -20.786 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 5.380 -15.691 -21.645 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 5.824 -14.406 -20.935 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 5.509 -15.854 -23.530 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 6.381 -15.922 -23.934 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 5.081 -16.719 -23.737 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -4.839 -11.587 -26.586 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -3.950 -11.291 -26.302 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -5.181 -10.832 -27.119 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -2.192 -14.278 -26.295 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -3.066 -14.208 -26.743 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -1.689 -13.522 -26.633 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -5.429 -9.351 -28.098 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -4.780 -8.636 -28.112 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -6.085 -9.089 -28.776 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -0.462 -14.678 -22.722 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 0.163 -14.778 -23.472 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -1.074 -13.994 -23.018 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -11.386 -10.439 -27.361 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -11.128 -9.636 -26.858 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -10.703 -11.080 -27.143 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -1.437 -15.010 -15.977 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -1.969 -15.388 -15.254 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -1.235 -14.113 -15.681 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -13.646 -12.023 -17.522 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -12.969 -11.463 -17.080 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -13.269 -12.200 -18.399 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -3.246 -16.736 -14.620 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -2.963 -17.654 -14.686 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -3.842 -16.611 -15.396 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -2.238 -16.055 -18.338 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -1.773 -15.494 -18.992 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -1.851 -15.782 -17.474 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -10.247 -8.335 -25.911 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -9.673 -8.276 -25.123 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -9.711 -7.932 -26.627 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 3.813 -7.415 -22.794 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 2.998 -7.045 -22.384 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 4.117 -8.092 -22.149 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 4.448 -9.291 -20.938 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 3.726 -9.717 -20.416 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 5.151 -9.114 -20.271 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 1.934 -12.574 -18.209 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 1.097 -12.950 -17.902 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 2.440 -13.351 -18.540 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 6.225 -9.991 -22.761 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 6.745 -9.235 -22.421 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 5.391 -9.952 -22.245 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -11.480 -18.159 -21.532 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -10.509 -18.143 -21.364 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -11.652 -19.059 -21.817 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -1.237 -8.549 -25.370 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -1.713 -7.689 -25.255 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -0.584 -8.368 -26.064 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -3.374 -13.811 -21.707 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -3.400 -14.727 -22.059 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -3.700 -13.258 -22.451 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -8.881 -8.782 -31.804 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -9.749 -8.799 -31.348 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -9.052 -9.224 -32.659 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 2.512 -11.179 -28.252 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 2.464 -11.903 -28.883 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 2.696 -11.616 -27.395 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -7.022 -7.511 -37.821 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -6.754 -8.211 -38.426 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -7.740 -7.925 -37.279 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 2.350 -10.214 -19.594 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 1.627 -9.709 -19.184 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 2.264 -11.113 -19.212 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -8.292 -18.334 -3.343 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -8.384 -18.258 -4.318 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -8.752 -17.541 -2.997 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -8.418 -18.422 -6.077 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -7.841 -17.731 -6.492 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -7.929 -19.245 -6.210 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -2.034 -13.836 -8.202 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -1.352 -13.325 -7.710 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -2.440 -14.394 -7.528 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -6.232 -16.407 -2.013 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -7.137 -16.497 -2.362 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -5.841 -17.297 -2.135 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 1.322 -13.347 -4.443 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 1.125 -13.104 -3.514 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 1.436 -14.303 -4.418 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -0.138 -8.920 -5.967 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 0.709 -8.838 -5.498 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 0.089 -9.415 -6.781 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -0.281 -12.480 -6.582 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 0.288 -12.734 -5.827 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 0.219 -11.772 -7.031 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -5.660 -18.965 -2.951 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -5.461 -19.899 -2.819 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -6.636 -18.941 -3.075 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -5.048 -9.310 -7.625 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -4.998 -10.206 -7.974 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -5.556 -9.407 -6.783 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 1.103 -12.308 -1.848 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 0.428 -11.618 -2.064 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 1.304 -12.157 -0.908 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -7.196 -13.789 -2.190 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -6.646 -14.587 -2.073 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -6.541 -13.052 -2.241 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -2.374 -9.662 -4.576 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -1.603 -9.315 -5.082 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -2.683 -10.412 -5.102 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 -5.287 -11.892 -1.893 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 -4.546 -12.010 -1.294 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 -5.167 -10.980 -2.242 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -5.055 -16.899 -4.729 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -5.083 -16.203 -4.064 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -5.107 -17.726 -4.212 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -8.196 -16.287 0.124 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -7.283 -16.362 -0.185 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -8.716 -16.170 -0.695 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -4.355 -9.373 -2.511 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -3.703 -9.381 -3.237 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -3.971 -8.758 -1.852 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 3.702 -10.779 -13.374 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 4.569 -11.142 -13.619 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 3.187 -10.814 -14.199 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 0.867 -10.406 -8.093 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 0.550 -10.683 -8.962 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 1.684 -9.888 -8.292 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -10.023 -15.600 2.014 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -9.459 -14.969 2.510 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -9.414 -15.982 1.341 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -11.119 -13.809 4.468 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -10.222 -13.699 4.094 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -11.309 -14.759 4.353 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -9.031 -20.899 -4.210 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -8.817 -20.152 -3.631 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -9.862 -20.637 -4.641 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -3.325 -14.026 -10.608 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -2.745 -14.048 -9.809 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -3.462 -13.086 -10.770 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -4.021 -9.218 -12.750 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -3.958 -8.303 -12.410 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -4.729 -9.626 -12.210 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -13.089 -15.950 -13.809 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -12.744 -16.783 -14.137 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -12.568 -15.777 -12.993 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -4.772 -16.064 -9.176 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -4.372 -15.296 -9.622 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -4.625 -16.792 -9.787 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -5.885 -6.616 -0.309 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -5.058 -7.062 -0.583 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -5.762 -6.458 0.652 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 2.315 -11.445 0.713 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 2.733 -12.082 1.303 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 3.035 -11.188 0.088 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -2.940 -10.809 -14.721 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -3.545 -11.558 -14.632 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -3.214 -10.194 -14.002 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -6.370 -10.087 -11.530 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -6.611 -9.252 -12.003 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -7.178 -10.340 -11.074 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -6.465 -16.836 -7.079 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -5.918 -16.497 -7.820 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -5.871 -16.780 -6.297 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -0.637 -11.844 -15.962 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -1.298 -11.410 -15.384 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -1.148 -12.084 -16.768 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -5.342 -13.533 -15.543 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -4.821 -13.785 -14.750 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -5.070 -14.175 -16.217 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 3.110 -11.300 -3.445 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 2.416 -11.607 -2.821 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 3.019 -11.897 -4.206 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -5.932 -10.073 2.669 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -6.190 -10.129 3.611 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -6.188 -10.942 2.300 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -2.110 -12.601 -18.130 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -1.625 -13.137 -18.789 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -3.040 -12.897 -18.224 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 2.304 -11.028 -15.948 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 2.359 -11.566 -16.764 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 1.372 -11.108 -15.678 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -13.204 -15.404 6.064 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -13.192 -15.944 6.877 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -12.765 -15.966 5.396 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -4.517 -13.694 -19.156 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -4.156 -13.743 -20.063 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -5.422 -14.036 -19.241 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -3.723 -14.311 -13.451 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -3.576 -14.297 -12.487 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -3.545 -15.242 -13.706 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -11.075 -15.725 -4.181 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -11.660 -16.494 -4.017 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -11.280 -15.462 -5.097 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -11.737 -15.580 -6.951 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -12.273 -15.719 -7.766 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -10.825 -15.657 -7.255 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 2.862 -8.759 -8.884 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 3.442 -8.909 -9.674 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 3.464 -8.382 -8.211 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -8.281 -11.920 -0.409 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -8.052 -12.519 -1.146 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -8.986 -11.346 -0.774 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -6.507 -9.320 -5.350 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -7.410 -9.377 -5.011 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -6.196 -8.443 -5.057 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -1.277 -7.721 2.604 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -0.730 -8.522 2.520 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -2.201 -8.049 2.528 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 0.902 -9.443 2.020 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 1.559 -9.258 2.701 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 1.274 -10.210 1.531 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -0.423 -10.233 -2.663 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -0.001 -9.361 -2.762 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -1.227 -10.171 -3.212 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 4.406 -11.069 -1.001 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 5.365 -11.112 -1.066 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 4.100 -11.076 -1.931 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 4.327 -9.202 -11.125 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 3.882 -9.679 -11.856 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 5.273 -9.236 -11.363 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -12.253 -19.371 8.575 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -11.659 -19.616 7.861 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -12.220 -20.138 9.187 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -8.546 -8.665 10.119 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -9.306 -8.615 10.741 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -8.860 -9.268 9.410 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -7.796 -12.754 5.915 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -7.169 -13.118 6.548 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -7.426 -11.867 5.694 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -13.232 -16.811 8.545 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -12.624 -16.553 9.246 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -13.077 -17.779 8.442 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -6.688 -10.272 5.371 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -7.458 -9.687 5.552 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -5.912 -9.737 5.659 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -8.557 -13.714 3.451 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -8.234 -13.426 4.333 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -7.928 -13.302 2.822 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -9.762 -10.067 8.112 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -10.692 -9.892 8.368 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -9.763 -11.015 7.867 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -6.742 -12.571 1.678 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -7.355 -12.257 0.966 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -6.226 -13.264 1.254 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -4.884 -8.349 6.071 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -5.494 -7.706 6.492 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -4.076 -7.849 5.930 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -10.390 -12.519 7.118 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -10.894 -12.018 6.448 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -9.606 -12.839 6.635 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -11.657 -7.501 8.208 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -11.871 -8.411 8.499 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -12.528 -7.116 7.975 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -11.882 -21.663 10.098 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -11.778 -21.682 11.055 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -11.891 -22.591 9.840 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -14.389 -3.050 -36.994 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -13.958 -2.303 -36.562 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -13.957 -3.101 -37.860 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -14.400 -0.616 -42.200 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -14.501 0.356 -42.262 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -13.959 -0.866 -43.050 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -11.526 -2.886 -39.669 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -11.549 -3.841 -39.887 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -11.243 -2.862 -38.727 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -9.164 -2.537 -41.274 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -9.329 -3.148 -42.023 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -10.008 -2.525 -40.786 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -6.708 -0.653 -37.810 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -6.989 -0.601 -38.753 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -5.919 -0.109 -37.770 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -7.430 -0.575 -40.429 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -7.661 0.088 -41.084 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -7.947 -1.369 -40.699 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -9.949 2.799 -33.175 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -10.109 3.752 -33.033 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -9.569 2.494 -32.331 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -16.226 5.738 -41.907 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -16.802 6.199 -41.260 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -15.316 6.016 -41.660 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -11.546 4.271 -36.853 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -12.431 3.981 -37.104 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -11.126 3.459 -36.479 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -8.108 -2.821 -36.993 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -7.685 -3.498 -37.566 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -7.618 -1.989 -37.203 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -10.605 -2.321 -32.388 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -10.009 -2.507 -33.146 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -11.253 -3.046 -32.418 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -12.289 -3.534 -45.415 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -11.355 -3.521 -45.153 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -12.304 -4.112 -46.203 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -13.406 -1.124 -44.662 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -13.507 -0.635 -45.503 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -12.961 -1.956 -44.923 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -10.212 5.550 -32.528 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -10.747 6.253 -32.140 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -9.506 5.393 -31.866 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -10.855 -2.881 -36.989 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -9.898 -2.752 -37.163 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -10.894 -3.057 -36.038 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -11.796 6.253 -38.908 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -12.204 6.868 -38.274 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -11.408 5.559 -38.347 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -9.699 -4.734 -45.990 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -8.981 -4.650 -46.623 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -10.429 -5.138 -46.506 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -12.053 8.469 -33.423 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -12.950 8.706 -33.736 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -11.806 7.697 -33.972 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -9.698 -0.576 -30.453 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -9.749 0.260 -30.942 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -10.018 -1.252 -31.097 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -10.732 1.974 -35.643 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -10.480 2.216 -34.721 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -10.286 1.135 -35.797 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -9.309 -3.371 -34.575 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -8.782 -3.161 -35.377 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -8.955 -4.226 -34.275 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -12.199 -4.693 -32.360 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -12.727 -4.201 -31.690 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -11.444 -5.053 -31.851 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -13.792 -1.316 -39.605 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -13.995 -1.004 -40.513 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -12.913 -1.741 -39.692 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -9.741 -4.465 -43.213 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -9.480 -4.490 -44.155 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -10.521 -5.051 -43.169 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -12.926 -7.520 -45.271 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -12.951 -8.198 -44.574 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -13.867 -7.259 -45.385 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -8.643 5.064 -30.283 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -7.906 5.419 -29.762 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -9.440 5.337 -29.783 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -11.904 -6.229 -43.098 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -12.336 -7.028 -42.721 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -12.124 -6.273 -44.046 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -10.882 -6.949 -34.596 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -11.157 -7.740 -34.099 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -9.981 -6.759 -34.272 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -8.411 -5.974 -33.618 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -7.787 -5.904 -34.383 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -7.890 -6.415 -32.931 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -2.834 -0.274 -23.230 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -3.634 0.278 -23.099 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -3.158 -1.041 -23.729 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -7.248 4.499 -25.910 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -8.202 4.498 -25.708 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -7.155 5.175 -26.600 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -8.694 -7.246 -27.869 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -8.132 -7.720 -28.521 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -8.244 -6.382 -27.749 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -10.252 -0.446 -24.150 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -10.021 0.332 -24.707 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -10.116 -0.136 -23.247 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 6.145 -4.215 -21.649 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 5.445 -4.407 -20.991 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 6.006 -4.888 -22.347 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -1.778 -4.818 -18.775 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -2.378 -5.592 -18.752 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -1.316 -4.852 -17.903 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 4.064 -3.456 -26.487 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 4.448 -2.857 -27.135 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 4.831 -3.728 -25.928 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -3.036 -3.704 -23.866 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -2.758 -3.861 -22.933 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -3.833 -3.137 -23.789 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 4.484 -5.205 -19.655 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 4.386 -4.656 -18.842 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 4.034 -6.052 -19.427 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -8.200 2.559 -21.227 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -9.045 2.978 -20.991 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -8.082 2.763 -22.173 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 1.331 -6.771 -21.907 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 1.420 -5.985 -21.313 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 0.377 -6.804 -22.113 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -7.314 2.518 -23.966 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -8.054 2.117 -24.464 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -7.016 3.256 -24.539 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -11.434 2.657 -29.488 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -11.980 3.450 -29.309 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -12.037 1.921 -29.350 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 0.034 -2.735 -19.055 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -0.706 -3.351 -18.875 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -0.380 -2.011 -19.583 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -7.041 -0.077 -29.669 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -7.892 -0.405 -30.030 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -6.879 0.743 -30.154 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -5.411 0.744 -22.937 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -5.413 1.043 -21.996 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -6.023 1.371 -23.385 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -5.359 3.544 -18.232 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -4.562 4.080 -18.153 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -6.065 4.195 -18.453 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -7.289 5.428 -18.760 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -7.156 6.272 -18.279 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -8.084 5.037 -18.339 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -8.175 -2.263 -26.644 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -8.551 -1.431 -27.003 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -8.827 -2.544 -25.967 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.986 4.630 -25.542 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -10.409 5.172 -26.219 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -10.167 5.113 -24.700 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -0.318 -4.933 -16.479 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 0.602 -5.254 -16.599 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -0.396 -4.788 -15.529 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -10.431 3.855 -19.893 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -10.136 3.985 -18.964 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -11.397 3.990 -19.858 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -5.064 -1.815 -23.947 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -5.291 -0.971 -23.495 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -5.641 -1.831 -24.718 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -0.539 -4.816 -26.785 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 0.201 -4.489 -26.234 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -0.112 -5.434 -27.410 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -4.268 -0.219 -12.929 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -4.048 -0.017 -13.855 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -4.642 0.625 -12.585 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -0.306 -2.695 -24.115 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -0.298 -2.034 -23.413 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -1.227 -3.016 -24.132 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -11.155 -6.699 -28.936 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -10.906 -6.117 -29.680 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -10.304 -6.896 -28.493 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -1.182 -0.927 -20.652 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -0.746 -0.219 -21.170 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -2.033 -1.050 -21.092 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -2.360 -6.045 -25.210 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -1.737 -5.607 -25.831 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -2.708 -5.308 -24.670 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -10.080 -3.073 -24.819 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -10.183 -2.139 -24.514 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -10.946 -3.468 -24.665 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -5.715 -1.771 -27.851 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -6.544 -1.928 -27.361 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -5.975 -1.153 -28.565 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -1.829 -4.134 -21.478 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -0.874 -4.149 -21.622 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -1.929 -4.348 -20.525 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -7.411 -4.814 -27.631 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -6.704 -5.091 -27.021 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -7.641 -3.907 -27.338 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -3.423 0.822 -15.442 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -2.700 1.021 -14.798 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -2.956 0.530 -16.233 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -9.497 1.801 -25.514 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -9.421 1.429 -26.418 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -9.757 2.735 -25.657 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -15.386 -1.390 -29.511 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -15.788 -0.497 -29.437 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -16.155 -1.994 -29.535 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -9.099 0.139 -27.781 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -8.212 0.321 -28.141 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -9.622 -0.122 -28.566 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 1.663 -4.210 -25.272 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 2.454 -3.720 -25.577 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 1.116 -3.529 -24.812 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -3.859 -3.770 -27.865 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -4.452 -2.981 -27.823 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -3.032 -3.470 -27.460 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -4.320 -6.485 -27.741 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -4.829 -6.709 -26.938 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -4.084 -5.539 -27.616 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -7.191 -5.356 -30.326 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -7.284 -5.052 -29.397 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -6.267 -5.123 -30.561 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 2.299 -5.790 -16.695 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 2.511 -6.419 -17.415 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 2.888 -5.029 -16.866 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -0.472 0.874 -22.602 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -1.328 0.526 -22.943 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -0.339 1.690 -23.089 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -13.260 -2.834 -30.658 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -14.018 -2.401 -30.209 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -12.606 -2.132 -30.747 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -8.113 6.512 -27.786 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -8.016 7.446 -27.571 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -9.059 6.415 -28.012 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -5.259 6.632 -15.719 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -4.444 7.182 -15.795 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -5.864 7.012 -16.392 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -5.925 1.632 -16.316 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -5.695 2.245 -17.049 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -5.064 1.431 -15.895 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -1.271 0.725 -13.809 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -1.504 -0.194 -13.574 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -0.496 0.923 -13.247 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -5.702 1.825 -20.448 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -5.519 2.371 -19.662 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -6.636 2.039 -20.675 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -1.579 -2.062 -13.540 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -1.121 -2.921 -13.416 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -2.418 -2.171 -13.059 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 0.731 -1.215 -14.855 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -0.168 -1.501 -14.588 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 0.803 -0.311 -14.504 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -8.969 2.314 -30.619 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -8.604 3.218 -30.540 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -9.817 2.356 -30.120 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 1.586 -4.611 -20.316 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 2.510 -4.424 -20.104 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 1.083 -3.924 -19.826 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 4.083 -3.794 -17.395 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 3.315 -3.167 -17.342 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 4.723 -3.437 -16.771 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 5.550 -8.491 -14.534 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 5.937 -8.523 -13.642 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 4.818 -7.829 -14.452 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 6.221 -4.092 -24.981 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 6.573 -3.560 -24.260 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 6.297 -5.014 -24.655 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 6.856 -9.582 -12.191 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 7.784 -9.617 -11.941 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 6.742 -10.340 -12.802 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -13.087 -7.131 -26.934 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -12.527 -6.918 -27.709 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -12.458 -7.425 -26.262 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -9.484 4.508 -17.374 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -9.214 3.765 -16.789 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -9.584 5.272 -16.761 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -7.533 9.725 -19.068 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -7.843 10.639 -19.038 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -8.048 9.319 -19.811 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 3.244 -7.446 -18.662 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 3.680 -8.140 -18.120 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 2.429 -7.870 -18.981 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -10.527 6.179 -23.332 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -10.834 7.093 -23.229 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -9.923 6.043 -22.578 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -11.795 9.129 -25.307 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -11.850 10.007 -24.882 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -12.723 8.904 -25.504 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 2.046 -6.898 -24.959 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 2.896 -6.876 -24.483 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 1.841 -5.950 -25.126 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -11.405 -8.809 -30.653 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -11.439 -8.078 -29.997 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -11.985 -9.501 -30.268 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -7.077 -8.096 -29.908 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -7.634 -8.508 -30.609 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -7.024 -7.155 -30.171 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 3.465 -6.026 -27.649 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 2.520 -6.110 -27.882 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 3.532 -5.148 -27.231 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -10.720 6.167 -28.773 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -10.960 7.097 -28.524 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -11.583 5.719 -28.873 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -9.838 -5.509 -31.214 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -9.605 -5.686 -32.143 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -8.977 -5.325 -30.788 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -4.432 -5.168 -30.206 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -4.524 -5.881 -29.550 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -4.117 -4.408 -29.684 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 1.297 -1.035 -6.892 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 0.740 -0.521 -6.267 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 1.487 -1.875 -6.403 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -2.433 -3.583 -4.239 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -2.891 -3.184 -3.471 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -2.266 -2.830 -4.827 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -10.463 2.552 -3.674 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -11.118 3.016 -3.104 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -10.716 2.818 -4.590 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -13.436 5.331 -5.845 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -14.214 4.828 -5.530 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -13.683 5.602 -6.757 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 1.585 -3.279 -5.447 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 1.866 -4.209 -5.341 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 1.210 -3.037 -4.568 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -1.082 -5.706 -3.151 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -1.247 -5.684 -2.179 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -1.396 -4.829 -3.465 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -5.241 -0.465 -5.996 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -6.185 -0.294 -6.064 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -4.951 -0.593 -6.928 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -0.249 0.001 -4.877 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -0.282 0.919 -4.591 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -1.200 -0.273 -4.916 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 2.516 -8.860 -4.603 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 2.798 -9.715 -4.212 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 1.985 -8.436 -3.891 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -12.895 0.867 -11.683 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -12.254 1.081 -10.965 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -13.337 0.066 -11.375 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 0.792 -7.693 -2.882 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 0.777 -7.773 -1.899 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 0.171 -6.953 -3.069 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -3.742 -2.526 -11.654 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -3.955 -1.682 -12.124 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -4.549 -2.719 -11.139 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 1.047 0.339 -12.355 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 1.212 0.708 -11.460 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 1.345 -0.585 -12.286 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 3.569 -1.014 -8.448 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 2.805 -1.029 -7.829 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 4.321 -0.787 -7.890 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -6.053 -2.679 -10.007 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -6.850 -2.256 -10.363 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -6.387 -3.256 -9.286 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -8.279 0.948 -3.569 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -7.554 1.490 -3.891 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -9.068 1.538 -3.635 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 1.637 0.580 -9.681 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 2.497 0.180 -9.459 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 1.063 0.321 -8.952 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -9.811 -1.707 2.050 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -10.180 -1.459 2.927 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -10.578 -1.715 1.466 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 6.323 -11.124 -14.418 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 6.497 -11.605 -15.233 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 6.120 -10.210 -14.715 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -8.573 0.977 -11.008 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -8.487 1.464 -11.856 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -9.517 1.034 -10.796 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -9.134 -1.142 -2.087 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -8.735 -0.428 -2.644 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -8.878 -1.958 -2.530 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -11.748 8.853 -8.149 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -11.541 8.302 -8.934 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -11.091 8.572 -7.481 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -9.881 5.282 -10.005 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -9.589 5.082 -10.920 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -10.235 6.189 -10.062 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -11.617 7.117 -4.845 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -11.870 7.176 -3.918 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -12.278 6.500 -5.233 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -0.322 -5.219 2.315 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -0.726 -6.109 2.458 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 0.416 -5.194 2.930 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -1.004 -1.730 -0.860 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -1.288 -2.359 -0.151 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -0.459 -1.086 -0.397 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -1.711 -3.936 -10.380 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -2.435 -3.427 -10.806 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -1.227 -3.263 -9.846 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -1.850 -3.401 1.066 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -1.325 -3.972 1.675 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -2.768 -3.463 1.410 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 0.375 -2.236 -3.226 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -0.122 -2.144 -2.390 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 0.188 -1.410 -3.707 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -4.531 -0.859 -8.584 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -4.994 -1.503 -9.152 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -4.048 -0.300 -9.204 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -6.945 2.989 -10.300 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -7.689 3.601 -10.235 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -7.368 2.107 -10.381 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -0.244 -4.342 -12.738 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -0.784 -4.450 -11.927 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 0.446 -5.038 -12.661 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -0.213 -2.671 -8.565 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 0.134 -1.916 -8.055 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 0.468 -3.363 -8.458 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -11.460 3.437 -6.055 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -12.075 4.134 -5.752 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -11.478 3.516 -7.026 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -12.833 0.282 3.088 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -12.910 0.260 2.105 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -12.806 1.222 3.299 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -7.854 -2.045 4.005 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -8.358 -2.134 3.175 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -8.508 -1.734 4.644 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -9.693 8.060 -6.518 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -10.406 7.705 -5.931 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -8.879 7.777 -6.093 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -5.176 4.652 -13.715 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -5.841 5.205 -13.286 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -4.965 5.132 -14.538 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -5.302 2.248 -12.405 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -5.741 2.546 -11.580 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -5.017 3.084 -12.840 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -10.873 0.930 -13.612 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -11.655 0.967 -13.026 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -11.237 1.055 -14.507 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 0.141 -8.059 -0.266 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 0.482 -8.455 0.560 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -0.744 -8.435 -0.360 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -3.349 -1.842 -2.284 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -4.070 -1.894 -1.617 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -2.533 -1.762 -1.746 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 1.563 -4.746 -8.259 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 2.235 -4.274 -8.810 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 1.970 -4.799 -7.374 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -7.994 2.425 -13.342 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -7.019 2.372 -13.325 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -8.220 2.398 -14.295 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -11.312 1.652 -9.654 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -11.052 1.189 -8.844 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -11.574 2.550 -9.343 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -8.541 2.260 -16.064 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -9.046 1.489 -16.352 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -7.598 2.000 -16.208 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -11.824 -1.004 7.087 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -12.776 -0.827 7.205 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -11.531 -1.308 7.954 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -7.737 -1.161 0.290 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -8.393 -1.245 1.010 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -8.281 -1.070 -0.517 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -2.823 -0.745 -4.756 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -3.113 -1.016 -3.858 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -3.666 -0.569 -5.236 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -5.369 -2.253 -0.444 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -5.828 -2.876 -1.051 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -6.097 -1.694 -0.083 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -4.506 -3.596 1.789 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -4.676 -2.945 2.512 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -4.815 -3.135 0.978 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -1.471 -5.639 -0.493 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -1.641 -4.789 -0.033 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -0.723 -6.027 -0.004 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -3.343 -7.651 -0.565 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -3.439 -7.915 0.378 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -2.715 -6.896 -0.542 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -3.889 -8.359 2.048 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -4.530 -9.081 2.247 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -4.387 -7.536 2.263 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -9.091 4.750 -12.558 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -8.462 5.317 -13.055 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -8.820 3.834 -12.791 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -11.556 7.482 -10.514 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -11.414 7.089 -11.408 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -12.297 8.105 -10.647 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -11.961 4.137 -8.698 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -12.655 4.828 -8.656 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -11.196 4.591 -9.129 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 2.910 -3.179 -10.046 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 3.245 -2.378 -9.592 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 2.669 -2.864 -10.941 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 1.890 -2.333 -17.074 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 1.169 -2.428 -17.737 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 1.459 -1.889 -16.313 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 1.786 -2.436 -12.574 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 1.772 -2.110 -13.494 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 1.050 -3.080 -12.541 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 2.273 -5.917 -5.633 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 1.998 -6.470 -4.889 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 2.948 -6.457 -6.094 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 1.956 -5.904 -12.172 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 1.608 -6.489 -11.464 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 2.629 -5.371 -11.727 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 4.077 -7.811 -6.570 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 3.583 -8.340 -5.902 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 4.984 -7.810 -6.247 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 0.997 -6.950 -9.790 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 1.590 -7.663 -9.467 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 1.181 -6.197 -9.194 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 3.453 -6.797 -14.397 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 2.980 -6.473 -15.190 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 2.858 -6.569 -13.655 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -11.252 6.431 -12.972 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -11.134 6.918 -13.817 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -10.546 5.754 -12.984 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -7.559 6.323 -14.181 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -8.301 6.477 -14.821 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -6.749 6.421 -14.727 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -10.909 -8.415 11.543 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -11.823 -8.650 11.292 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -11.016 -7.839 12.303 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -5.393 -6.157 2.369 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -5.996 -6.211 3.145 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -5.091 -5.221 2.360 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -8.736 -8.573 5.956 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -9.476 -7.948 5.778 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -9.039 -9.081 6.740 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -6.504 -6.501 7.331 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -6.171 -6.882 8.176 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -7.424 -6.255 7.531 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -10.816 -0.990 4.493 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -11.036 -1.048 5.450 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -11.573 -0.506 4.106 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -9.200 -6.339 8.731 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -10.089 -6.678 8.490 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -8.813 -7.057 9.269 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -12.602 -2.935 9.763 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -11.686 -3.290 9.837 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -12.944 -3.328 8.939 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -7.101 -6.693 4.545 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -6.777 -6.216 5.327 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -7.582 -7.453 4.919 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -12.670 -4.776 5.463 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -13.025 -4.220 6.195 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -12.533 -4.151 4.739 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -5.201 -1.657 3.515 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -5.148 -0.704 3.621 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -6.135 -1.872 3.740 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -10.911 -6.948 5.644 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -11.423 -6.140 5.449 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -11.130 -7.148 6.578 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -5.971 -7.841 9.636 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -5.385 -8.514 9.989 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -6.869 -8.138 9.906 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -12.510 18.152 -28.969 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -12.067 19.009 -28.976 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -12.622 17.948 -28.014 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -12.778 17.675 -26.204 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -12.145 16.924 -26.213 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -12.875 17.893 -25.250 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -9.444 16.786 -24.420 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -9.994 16.308 -25.072 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -9.293 17.643 -24.821 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -8.931 5.849 -20.984 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -8.119 5.702 -20.456 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -9.532 5.129 -20.697 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -9.506 15.038 -22.343 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -8.944 15.217 -21.556 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -9.234 15.723 -22.995 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -2.838 9.331 -18.713 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -2.257 9.829 -19.292 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -3.649 9.188 -19.253 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -8.198 15.466 -19.963 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -7.467 15.551 -19.348 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -8.998 15.481 -19.391 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -12.605 11.675 -24.514 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -13.353 12.036 -23.999 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -11.804 12.052 -24.073 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -9.038 14.564 -28.187 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -9.744 14.166 -28.755 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -8.344 14.804 -28.809 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 -10.974 15.578 -26.433 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 -11.418 14.727 -26.293 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 -10.236 15.363 -27.043 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -10.560 15.648 -18.519 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -11.176 15.462 -17.784 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -11.105 16.092 -19.176 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -9.371 12.719 -26.073 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -10.214 12.479 -26.506 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -8.946 13.326 -26.702 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 -8.891 8.573 -21.072 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 -8.815 7.595 -21.110 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 -9.752 8.759 -21.493 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -5.087 9.131 -20.264 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -5.435 8.914 -21.135 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -5.881 9.363 -19.740 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -3.158 8.329 -16.192 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -3.092 8.674 -17.113 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -2.383 8.686 -15.753 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 -8.519 10.578 -15.700 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 -7.632 10.240 -15.849 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 -8.429 11.147 -14.899 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -13.092 17.994 -23.444 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -12.598 17.147 -23.337 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -13.806 17.935 -22.772 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -10.388 12.757 -23.516 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -9.837 12.674 -24.326 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -9.956 13.477 -23.006 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -12.131 15.493 -23.020 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -11.193 15.381 -22.752 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -12.447 14.593 -23.146 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 -15.156 11.880 -29.867 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 -15.507 12.318 -30.663 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 -14.896 12.625 -29.280 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -11.911 12.383 -27.116 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -12.313 12.111 -26.264 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -12.279 11.749 -27.767 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 -11.380 8.667 -27.990 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 -11.900 9.384 -28.409 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 -11.397 8.887 -27.032 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 -7.250 7.699 -17.231 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 -7.403 8.488 -17.796 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 -8.112 7.557 -16.776 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 -8.669 8.730 -13.237 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 -9.219 8.752 -14.034 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 -8.141 7.919 -13.335 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -13.599 9.235 -11.235 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -13.792 8.853 -12.112 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -13.108 10.059 -11.439 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -13.559 8.808 -14.059 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -13.381 9.738 -14.255 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -12.760 8.335 -14.397 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -9.473 10.617 -11.419 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -9.137 9.876 -11.978 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -9.179 10.384 -10.511 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 -8.817 12.227 -13.578 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 -9.440 12.967 -13.596 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 -8.975 11.799 -12.710 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 -11.320 13.654 -14.910 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 -11.338 12.715 -15.171 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 -11.693 14.126 -15.683 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 -11.992 11.225 -12.355 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 -11.156 11.071 -11.858 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 -11.728 11.135 -13.292 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -9.135 9.843 -8.775 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -8.973 9.161 -8.104 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -10.065 10.079 -8.650 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -11.208 10.789 -15.079 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -11.318 9.811 -15.139 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -10.267 10.931 -15.322 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 5.991 -12.781 -22.064 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 5.998 -13.148 -22.956 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 6.290 -11.857 -22.184 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 4.540 -10.091 -24.992 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 5.277 -10.033 -24.350 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 4.724 -9.366 -25.635 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 6.229 -8.743 -18.932 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 5.708 -9.016 -18.150 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 6.529 -7.831 -18.714 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 2.780 -12.020 -25.676 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 3.028 -12.778 -25.102 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 3.432 -11.317 -25.437 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 1.478 -9.161 -26.635 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 1.937 -9.767 -27.262 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 2.148 -8.481 -26.424 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 7.002 -6.159 -18.860 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 6.177 -5.763 -19.198 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 7.701 -5.763 -19.414 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 7.613 -7.849 -21.479 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 8.162 -7.055 -21.314 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 7.420 -8.193 -20.588 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 6.218 -6.315 -23.385 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 5.334 -6.744 -23.337 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 6.808 -6.936 -22.915 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 4.917 -8.218 -26.951 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 5.423 -8.393 -27.749 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 4.434 -7.381 -27.152 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 8.564 -5.220 -20.932 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 9.304 -4.645 -21.149 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 7.771 -4.728 -21.252 1.00 0.00 WAT1 END