REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1688.89, 79.2263, 91.0488, 50.0258, 423.788, -312, -2021.38, 0.364109, 3.532261E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.21485E-03,0.4659,1.3447,42.3397,1.88613E-03,8.621577E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 3 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:27 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -29.988 8.933 -2.354 1.00 52.21 ATOM 2 CB MET 1 -30.417 10.392 -3.867 1.00 55.35 ATOM 3 HB1 MET 1 -29.574 10.145 -4.496 1.00 37.53 ATOM 4 HB2 MET 1 -30.589 11.458 -3.917 1.00 63.13 ATOM 5 CG MET 1 -31.647 9.687 -4.423 1.00 35.53 ATOM 6 HG1 MET 1 -32.503 9.961 -3.824 1.00 37.53 ATOM 7 HG2 MET 1 -31.495 8.619 -4.364 1.00 15.44 ATOM 8 SD MET 1 -31.983 10.121 -6.139 1.00 31.01 ATOM 9 CE MET 1 -30.521 9.473 -6.953 1.00 42.33 ATOM 10 HE1 MET 1 -30.466 8.407 -6.791 1.00 32.44 ATOM 11 HE2 MET 1 -29.639 9.947 -6.546 1.00 24.14 ATOM 12 HE3 MET 1 -30.578 9.674 -8.013 1.00 1.30 ATOM 13 C MET 1 -28.753 10.642 -2.001 1.00 15.41 ATOM 14 O MET 1 -28.700 11.818 -1.635 1.00 61.41 ATOM 15 N MET 1 -31.189 10.420 -1.506 1.00 13.21 ATOM 16 HT1 MET 1 -32.081 9.966 -1.791 1.00 37.53 ATOM 17 HT2 MET 1 -31.315 11.454 -1.534 1.00 37.53 ATOM 18 HT3 MET 1 -30.968 10.138 -0.530 1.00 37.53 ATOM 19 CA MET 1 -30.087 10.008 -2.418 1.00 15.14 ATOM 20 N GLY 2 -27.678 9.864 -2.069 1.00 12.25 ATOM 21 HN GLY 2 -27.770 8.943 -2.399 1.00 37.53 ATOM 22 CA GLY 2 -26.370 10.369 -1.676 1.00 11.13 ATOM 23 HA1 GLY 2 -26.385 10.585 -0.616 1.00 37.53 ATOM 24 HA2 GLY 2 -26.176 11.287 -2.212 1.00 4.43 ATOM 25 C GLY 2 -25.237 9.391 -1.959 1.00 62.32 ATOM 26 O GLY 2 -24.837 8.617 -1.082 1.00 4.52 ATOM 27 N HIS 3 -24.711 9.417 -3.182 1.00 44.32 ATOM 28 HN HIS 3 -25.108 10.008 -3.857 1.00 37.53 ATOM 29 CA HIS 3 -23.556 8.584 -3.537 1.00 45.10 ATOM 30 HA HIS 3 -23.684 7.626 -3.050 1.00 41.43 ATOM 31 CB HIS 3 -23.486 8.358 -5.062 1.00 11.21 ATOM 32 HB1 HIS 3 -24.415 7.918 -5.394 1.00 37.53 ATOM 33 HB2 HIS 3 -22.679 7.674 -5.280 1.00 32.21 ATOM 34 CG HIS 3 -23.256 9.605 -5.864 1.00 3.10 ATOM 35 ND1 HIS 3 -22.007 10.008 -6.290 1.00 53.41 ATOM 36 HD1 HIS 3 -21.163 9.536 -6.115 1.00 52.23 ATOM 37 CD2 HIS 3 -24.121 10.538 -6.324 1.00 43.41 ATOM 38 HD2 HIS 3 -25.193 10.543 -6.184 1.00 40.44 ATOM 39 CE1 HIS 3 -22.116 11.133 -6.966 1.00 1.52 ATOM 40 HE1 HIS 3 -21.301 11.678 -7.422 1.00 1.11 ATOM 41 NE2 HIS 3 -23.386 11.474 -7.005 1.00 42.51 ATOM 42 HE2 HIS 3 -23.756 12.199 -7.549 1.00 37.53 ATOM 43 C HIS 3 -22.254 9.225 -3.016 1.00 55.12 ATOM 44 O HIS 3 -21.926 10.361 -3.367 1.00 30.41 ATOM 45 N HIS 4 -21.525 8.501 -2.166 1.00 71.13 ATOM 46 HN HIS 4 -21.802 7.581 -1.963 1.00 37.53 ATOM 47 CA HIS 4 -20.314 9.041 -1.530 1.00 72.02 ATOM 48 HA HIS 4 -19.818 9.682 -2.245 1.00 72.52 ATOM 49 CB HIS 4 -20.700 9.875 -0.301 1.00 24.31 ATOM 50 HB1 HIS 4 -21.318 10.703 -0.617 1.00 37.53 ATOM 51 HB2 HIS 4 -19.803 10.260 0.159 1.00 1.35 ATOM 52 CG HIS 4 -21.458 9.104 0.742 1.00 32.42 ATOM 53 ND1 HIS 4 -22.833 9.006 0.760 1.00 14.30 ATOM 54 HD1 HIS 4 -23.446 9.437 0.125 1.00 53.11 ATOM 55 CD2 HIS 4 -21.024 8.386 1.805 1.00 60.02 ATOM 56 HD2 HIS 4 -19.995 8.244 2.106 1.00 21.12 ATOM 57 CE1 HIS 4 -23.210 8.267 1.783 1.00 63.13 ATOM 58 HE1 HIS 4 -24.228 8.020 2.042 1.00 51.43 ATOM 59 NE2 HIS 4 -22.134 7.876 2.432 1.00 40.53 ATOM 60 HE2 HIS 4 -22.121 7.194 3.139 1.00 37.53 ATOM 61 C HIS 4 -19.343 7.924 -1.110 1.00 4.35 ATOM 62 O HIS 4 -19.768 6.817 -0.784 1.00 33.32 ATOM 63 N HIS 5 -18.043 8.230 -1.113 1.00 42.43 ATOM 64 HN HIS 5 -17.767 9.122 -1.418 1.00 37.53 ATOM 65 CA HIS 5 -17.010 7.281 -0.668 1.00 34.20 ATOM 66 HA HIS 5 -17.426 6.715 0.154 1.00 74.43 ATOM 67 CB HIS 5 -16.628 6.303 -1.793 1.00 1.23 ATOM 68 HB1 HIS 5 -15.676 5.846 -1.559 1.00 37.53 ATOM 69 HB2 HIS 5 -16.538 6.849 -2.721 1.00 14.21 ATOM 70 CG HIS 5 -17.624 5.204 -2.004 1.00 11.13 ATOM 71 ND1 HIS 5 -18.405 5.095 -3.135 1.00 74.02 ATOM 72 HD1 HIS 5 -18.390 5.707 -3.902 1.00 71.33 ATOM 73 CD2 HIS 5 -17.955 4.150 -1.221 1.00 52.51 ATOM 74 HD2 HIS 5 -17.542 3.916 -0.250 1.00 35.11 ATOM 75 CE1 HIS 5 -19.169 4.028 -3.038 1.00 21.43 ATOM 76 HE1 HIS 5 -19.880 3.692 -3.777 1.00 52.10 ATOM 77 NE2 HIS 5 -18.915 3.438 -1.890 1.00 65.04 ATOM 78 HE2 HIS 5 -19.331 2.605 -1.577 1.00 37.53 ATOM 79 C HIS 5 -15.749 8.004 -0.165 1.00 53.20 ATOM 80 O HIS 5 -15.149 8.808 -0.881 1.00 14.25 ATOM 81 N HIS 6 -15.360 7.713 1.076 1.00 41.13 ATOM 82 HN HIS 6 -15.924 7.119 1.618 1.00 37.53 ATOM 83 CA HIS 6 -14.122 8.246 1.664 1.00 11.24 ATOM 84 HA HIS 6 -13.418 8.402 0.857 1.00 31.31 ATOM 85 CB HIS 6 -14.372 9.593 2.372 1.00 35.23 ATOM 86 HB1 HIS 6 -13.568 9.780 3.073 1.00 37.53 ATOM 87 HB2 HIS 6 -15.303 9.534 2.917 1.00 53.14 ATOM 88 CG HIS 6 -14.458 10.776 1.448 1.00 41.54 ATOM 89 ND1 HIS 6 -15.464 11.719 1.514 1.00 40.41 ATOM 90 HD1 HIS 6 -16.229 11.702 2.131 1.00 4.32 ATOM 91 CD2 HIS 6 -13.626 11.195 0.462 1.00 11.15 ATOM 92 HD2 HIS 6 -12.724 10.700 0.130 1.00 14.21 ATOM 93 CE1 HIS 6 -15.248 12.658 0.615 1.00 62.42 ATOM 94 HE1 HIS 6 -15.870 13.524 0.444 1.00 53.02 ATOM 95 NE2 HIS 6 -14.142 12.365 -0.037 1.00 11.35 ATOM 96 HE2 HIS 6 -13.840 12.814 -0.856 1.00 37.53 ATOM 97 C HIS 6 -13.506 7.248 2.657 1.00 52.31 ATOM 98 O HIS 6 -13.934 7.155 3.810 1.00 62.42 ATOM 99 N HIS 7 -12.507 6.494 2.203 1.00 53.11 ATOM 100 HN HIS 7 -12.248 6.563 1.258 1.00 37.53 ATOM 101 CA HIS 7 -11.791 5.557 3.076 1.00 2.23 ATOM 102 HA HIS 7 -12.479 5.251 3.853 1.00 12.34 ATOM 103 CB HIS 7 -11.364 4.312 2.292 1.00 34.52 ATOM 104 HB1 HIS 7 -10.599 3.784 2.846 1.00 37.53 ATOM 105 HB2 HIS 7 -10.966 4.613 1.334 1.00 73.10 ATOM 106 CG HIS 7 -12.494 3.359 2.045 1.00 20.41 ATOM 107 ND1 HIS 7 -12.787 2.317 2.894 1.00 43.21 ATOM 108 HD1 HIS 7 -12.302 2.097 3.719 1.00 61.03 ATOM 109 CD2 HIS 7 -13.408 3.293 1.047 1.00 44.31 ATOM 110 HD2 HIS 7 -13.484 3.961 0.201 1.00 43.01 ATOM 111 CE1 HIS 7 -13.824 1.652 2.435 1.00 54.50 ATOM 112 HE1 HIS 7 -14.272 0.787 2.899 1.00 23.33 ATOM 113 NE2 HIS 7 -14.224 2.220 1.316 1.00 33.45 ATOM 114 HE2 HIS 7 -14.819 1.791 0.663 1.00 37.53 ATOM 115 C HIS 7 -10.579 6.219 3.748 1.00 52.21 ATOM 116 O HIS 7 -10.115 5.758 4.792 1.00 11.23 ATOM 117 N HIS 8 -10.065 7.294 3.151 1.00 63.14 ATOM 118 HN HIS 8 -10.424 7.583 2.288 1.00 37.53 ATOM 119 CA HIS 8 -8.974 8.055 3.765 1.00 4.22 ATOM 120 HA HIS 8 -8.254 7.344 4.149 1.00 21.03 ATOM 121 CB HIS 8 -8.280 8.954 2.732 1.00 52.42 ATOM 122 HB1 HIS 8 -8.988 9.685 2.366 1.00 37.53 ATOM 123 HB2 HIS 8 -7.939 8.347 1.905 1.00 60.55 ATOM 124 CG HIS 8 -7.093 9.693 3.279 1.00 23.41 ATOM 125 ND1 HIS 8 -7.133 11.020 3.644 1.00 25.52 ATOM 126 HD1 HIS 8 -7.914 11.611 3.578 1.00 0.23 ATOM 127 CD2 HIS 8 -5.830 9.277 3.536 1.00 21.20 ATOM 128 HD2 HIS 8 -5.437 8.284 3.373 1.00 71.51 ATOM 129 CE1 HIS 8 -5.952 11.386 4.095 1.00 43.44 ATOM 130 HE1 HIS 8 -5.692 12.372 4.452 1.00 71.14 ATOM 131 NE2 HIS 8 -5.142 10.351 4.044 1.00 52.31 ATOM 132 HE2 HIS 8 -4.292 10.287 4.535 1.00 37.53 ATOM 133 C HIS 8 -9.505 8.892 4.938 1.00 11.33 ATOM 134 O HIS 8 -10.061 9.974 4.745 1.00 31.33 ATOM 135 N SER 9 -9.344 8.367 6.147 1.00 33.52 ATOM 136 HN SER 9 -8.852 7.523 6.234 1.00 37.53 ATOM 137 CA SER 9 -9.884 9.004 7.356 1.00 50.34 ATOM 138 HA SER 9 -10.907 9.285 7.147 1.00 63.13 ATOM 139 CB SER 9 -9.884 8.012 8.528 1.00 73.54 ATOM 140 HB1 SER 9 -10.517 7.172 8.284 1.00 37.53 ATOM 141 HB2 SER 9 -10.265 8.502 9.413 1.00 74.32 ATOM 142 OG SER 9 -8.575 7.533 8.801 1.00 10.44 ATOM 143 HG SER 9 -8.544 7.184 9.704 1.00 21.02 ATOM 144 C SER 9 -9.104 10.266 7.754 1.00 65.15 ATOM 145 O SER 9 -7.951 10.459 7.367 1.00 14.15 ATOM 146 N HIS 10 -9.751 11.122 8.543 1.00 61.00 ATOM 147 HN HIS 10 -10.676 10.919 8.805 1.00 37.53 ATOM 148 CA HIS 10 -9.126 12.348 9.043 1.00 22.40 ATOM 149 HA HIS 10 -8.434 12.702 8.290 1.00 74.14 ATOM 150 CB HIS 10 -10.191 13.427 9.280 1.00 72.01 ATOM 151 HB1 HIS 10 -9.742 14.259 9.808 1.00 37.53 ATOM 152 HB2 HIS 10 -10.985 13.014 9.885 1.00 73.31 ATOM 153 CG HIS 10 -10.809 13.959 8.023 1.00 30.55 ATOM 154 ND1 HIS 10 -11.581 13.195 7.175 1.00 51.35 ATOM 155 HD1 HIS 10 -11.802 12.249 7.299 1.00 11.14 ATOM 156 CD2 HIS 10 -10.762 15.193 7.465 1.00 64.11 ATOM 157 HD2 HIS 10 -10.245 16.055 7.861 1.00 73.14 ATOM 158 CE1 HIS 10 -11.983 13.932 6.160 1.00 64.31 ATOM 159 HE1 HIS 10 -12.603 13.595 5.342 1.00 35.32 ATOM 160 NE2 HIS 10 -11.501 15.150 6.311 1.00 71.00 ATOM 161 HE2 HIS 10 -11.831 15.939 5.831 1.00 37.53 ATOM 162 C HIS 10 -8.356 12.085 10.345 1.00 4.11 ATOM 163 O HIS 10 -8.957 11.816 11.383 1.00 60.43 ATOM 164 N MET 11 -7.025 12.159 10.277 1.00 41.42 ATOM 165 HN MET 11 -6.605 12.308 9.406 1.00 37.53 ATOM 166 CA MET 11 -6.168 11.988 11.462 1.00 13.14 ATOM 167 HA MET 11 -6.293 10.971 11.810 1.00 23.40 ATOM 168 CB MET 11 -4.694 12.202 11.083 1.00 32.33 ATOM 169 HB1 MET 11 -4.410 11.453 10.359 1.00 37.53 ATOM 170 HB2 MET 11 -4.085 12.080 11.968 1.00 31.54 ATOM 171 CG MET 11 -4.401 13.578 10.488 1.00 62.13 ATOM 172 HG1 MET 11 -4.649 14.333 11.220 1.00 37.53 ATOM 173 HG2 MET 11 -5.014 13.717 9.610 1.00 53.04 ATOM 174 SD MET 11 -2.673 13.786 10.015 1.00 12.41 ATOM 175 CE MET 11 -2.494 12.501 8.777 1.00 21.14 ATOM 176 HE1 MET 11 -3.187 12.683 7.967 1.00 23.04 ATOM 177 HE2 MET 11 -2.706 11.540 9.222 1.00 72.25 ATOM 178 HE3 MET 11 -1.485 12.505 8.395 1.00 40.13 ATOM 179 C MET 11 -6.566 12.947 12.602 1.00 12.31 ATOM 180 O MET 11 -6.390 12.635 13.781 1.00 64.22 ATOM 181 N ALA 12 -7.100 14.113 12.235 1.00 42.44 ATOM 182 HN ALA 12 -7.177 14.315 11.283 1.00 37.53 ATOM 183 CA ALA 12 -7.582 15.099 13.209 1.00 73.34 ATOM 184 HA ALA 12 -7.451 14.686 14.202 1.00 71.51 ATOM 185 CB ALA 12 -6.758 16.381 13.116 1.00 11.13 ATOM 186 HB1 ALA 12 -7.077 17.072 13.885 1.00 14.11 ATOM 187 HB2 ALA 12 -6.897 16.835 12.145 1.00 60.51 ATOM 188 HB3 ALA 12 -5.713 16.149 13.256 1.00 15.42 ATOM 189 C ALA 12 -9.072 15.398 12.991 1.00 2.52 ATOM 190 O ALA 12 -9.521 15.568 11.854 1.00 22.42 ATOM 191 N LYS 13 -9.836 15.448 14.084 1.00 70.11 ATOM 192 HN LYS 13 -9.415 15.335 14.962 1.00 37.53 ATOM 193 CA LYS 13 -11.284 15.694 14.014 1.00 12.34 ATOM 194 HA LYS 13 -11.578 15.624 12.975 1.00 54.35 ATOM 195 CB LYS 13 -12.064 14.634 14.817 1.00 52.43 ATOM 196 HB1 LYS 13 -13.090 14.961 14.914 1.00 37.53 ATOM 197 HB2 LYS 13 -11.631 14.563 15.804 1.00 42.34 ATOM 198 CG LYS 13 -12.071 13.232 14.198 1.00 5.12 ATOM 199 HG1 LYS 13 -12.346 13.316 13.155 1.00 37.53 ATOM 200 HG2 LYS 13 -12.807 12.629 14.711 1.00 33.00 ATOM 201 CD LYS 13 -10.715 12.533 14.295 1.00 33.33 ATOM 202 HD1 LYS 13 -9.973 13.137 13.790 1.00 37.53 ATOM 203 HD2 LYS 13 -10.784 11.571 13.809 1.00 32.52 ATOM 204 CE LYS 13 -10.280 12.322 15.742 1.00 20.32 ATOM 205 HE1 LYS 13 -10.189 13.285 16.226 1.00 37.53 ATOM 206 HE2 LYS 13 -9.320 11.829 15.747 1.00 60.43 ATOM 207 NZ LYS 13 -11.250 11.488 16.505 1.00 44.11 ATOM 208 HZ1 LYS 13 -11.383 10.570 16.038 1.00 23.23 ATOM 209 HZ2 LYS 13 -12.169 11.968 16.565 1.00 53.53 ATOM 210 HZ3 LYS 13 -10.898 11.325 17.471 1.00 64.40 ATOM 211 C LYS 13 -11.639 17.105 14.528 1.00 24.23 ATOM 212 O LYS 13 -11.686 17.344 15.738 1.00 74.34 ATOM 213 N PRO 14 -11.881 18.063 13.611 1.00 52.51 ATOM 214 CA PRO 14 -12.237 19.442 13.965 1.00 1.42 ATOM 215 HA PRO 14 -11.755 19.759 14.880 1.00 34.30 ATOM 216 CB PRO 14 -11.655 20.218 12.783 1.00 30.10 ATOM 217 HB1 PRO 14 -10.607 20.417 12.956 1.00 37.53 ATOM 218 HB2 PRO 14 -12.187 21.151 12.656 1.00 60.03 ATOM 219 CG PRO 14 -11.850 19.308 11.610 1.00 71.41 ATOM 220 HG1 PRO 14 -11.055 19.461 10.892 1.00 37.53 ATOM 221 HG2 PRO 14 -12.809 19.505 11.149 1.00 72.43 ATOM 222 CD PRO 14 -11.807 17.891 12.147 1.00 61.52 ATOM 223 HD1 PRO 14 -10.882 17.407 11.864 1.00 37.53 ATOM 224 HD2 PRO 14 -12.653 17.325 11.785 1.00 14.21 ATOM 225 C PRO 14 -13.758 19.680 14.076 1.00 51.03 ATOM 226 O PRO 14 -14.571 18.792 13.803 1.00 24.03 ATOM 227 N THR 15 -14.130 20.892 14.487 1.00 12.11 ATOM 228 HN THR 15 -13.436 21.536 14.744 1.00 37.53 ATOM 229 CA THR 15 -15.542 21.299 14.562 1.00 31.23 ATOM 230 HA THR 15 -16.150 20.434 14.319 1.00 64.15 ATOM 231 CB THR 15 -15.932 21.775 15.987 1.00 61.24 ATOM 232 HB THR 15 -15.850 20.932 16.660 1.00 61.52 ATOM 233 OG1 THR 15 -17.288 22.241 16.005 1.00 11.23 ATOM 234 HG1 THR 15 -17.769 21.800 16.718 1.00 31.51 ATOM 235 CG2 THR 15 -15.004 22.879 16.489 1.00 60.03 ATOM 236 HG21 THR 15 -15.054 23.726 15.819 1.00 71.42 ATOM 237 HG22 THR 15 -13.990 22.509 16.525 1.00 72.51 ATOM 238 HG23 THR 15 -15.310 23.187 17.478 1.00 55.02 ATOM 239 C THR 15 -15.847 22.410 13.546 1.00 31.44 ATOM 240 O THR 15 -15.194 23.457 13.535 1.00 44.44 ATOM 241 N ALA 16 -16.831 22.171 12.682 1.00 5.14 ATOM 242 HN ALA 16 -17.346 21.340 12.765 1.00 37.53 ATOM 243 CA ALA 16 -17.175 23.116 11.612 1.00 35.42 ATOM 244 HA ALA 16 -16.330 23.775 11.461 1.00 51.14 ATOM 245 CB ALA 16 -17.419 22.359 10.309 1.00 35.33 ATOM 246 HB1 ALA 16 -18.271 21.705 10.424 1.00 34.10 ATOM 247 HB2 ALA 16 -16.545 21.772 10.065 1.00 52.33 ATOM 248 HB3 ALA 16 -17.611 23.065 9.513 1.00 13.31 ATOM 249 C ALA 16 -18.405 23.962 11.971 1.00 54.50 ATOM 250 O ALA 16 -19.547 23.544 11.754 1.00 63.21 ATOM 251 N ARG 17 -18.181 25.155 12.520 1.00 33.23 ATOM 252 HN ARG 17 -17.258 25.452 12.659 1.00 37.53 ATOM 253 CA ARG 17 -19.291 26.022 12.930 1.00 70.52 ATOM 254 HA ARG 17 -20.107 25.379 13.238 1.00 3.23 ATOM 255 CB ARG 17 -18.888 26.902 14.127 1.00 14.14 ATOM 256 HB1 ARG 17 -18.237 27.693 13.780 1.00 37.53 ATOM 257 HB2 ARG 17 -18.352 26.295 14.843 1.00 44.21 ATOM 258 CG ARG 17 -20.082 27.537 14.836 1.00 54.23 ATOM 259 HG1 ARG 17 -20.705 26.750 15.239 1.00 37.53 ATOM 260 HG2 ARG 17 -20.652 28.108 14.117 1.00 44.11 ATOM 261 CD ARG 17 -19.661 28.461 15.972 1.00 13.03 ATOM 262 HD1 ARG 17 -19.202 29.345 15.551 1.00 37.53 ATOM 263 HD2 ARG 17 -18.944 27.946 16.597 1.00 32.44 ATOM 264 NE ARG 17 -20.805 28.858 16.792 1.00 60.13 ATOM 265 HE ARG 17 -21.513 28.195 16.922 1.00 72.05 ATOM 266 CZ ARG 17 -20.928 30.014 17.386 1.00 0.04 ATOM 267 NH1 ARG 17 -20.053 30.951 17.209 1.00 33.12 ATOM 268 HH11 ARG 17 -19.271 30.801 16.613 1.00 1.11 ATOM 269 HH12 ARG 17 -20.171 31.827 17.671 1.00 32.22 ATOM 270 NH2 ARG 17 -21.946 30.238 18.151 1.00 62.21 ATOM 271 HH21 ARG 17 -22.633 29.529 18.285 1.00 1.14 ATOM 272 HH22 ARG 17 -22.038 31.118 18.612 1.00 23.25 ATOM 273 C ARG 17 -19.790 26.898 11.762 1.00 54.44 ATOM 274 O ARG 17 -19.723 28.127 11.814 1.00 32.45 ATOM 275 N GLY 18 -20.262 26.248 10.700 1.00 32.03 ATOM 276 HN GLY 18 -20.155 25.275 10.649 1.00 37.53 ATOM 277 CA GLY 18 -20.933 26.958 9.614 1.00 22.11 ATOM 278 HA1 GLY 18 -20.727 26.455 8.680 1.00 37.53 ATOM 279 HA2 GLY 18 -20.557 27.970 9.561 1.00 54.32 ATOM 280 C GLY 18 -22.441 26.991 9.835 1.00 62.33 ATOM 281 O GLY 18 -23.056 28.057 9.849 1.00 30.24 ATOM 282 N GLU 19 -23.029 25.799 9.977 1.00 10.23 ATOM 283 HN GLU 19 -22.521 24.997 9.727 1.00 37.53 ATOM 284 CA GLU 19 -24.406 25.629 10.479 1.00 62.40 ATOM 285 HA GLU 19 -24.589 24.566 10.540 1.00 33.20 ATOM 286 CB GLU 19 -24.512 26.213 11.901 1.00 45.43 ATOM 287 HB1 GLU 19 -25.490 25.985 12.302 1.00 37.53 ATOM 288 HB2 GLU 19 -24.394 27.287 11.850 1.00 4.00 ATOM 289 CG GLU 19 -23.457 25.659 12.862 1.00 71.50 ATOM 290 HG1 GLU 19 -22.478 25.863 12.452 1.00 37.53 ATOM 291 HG2 GLU 19 -23.594 24.589 12.940 1.00 70.44 ATOM 292 CD GLU 19 -23.532 26.261 14.258 1.00 40.22 ATOM 293 OE1 GLU 19 -23.387 25.506 15.245 1.00 43.24 ATOM 294 OE2 GLU 19 -23.735 27.486 14.376 1.00 3.05 ATOM 295 C GLU 19 -25.481 26.244 9.558 1.00 64.53 ATOM 296 O GLU 19 -26.652 26.327 9.934 1.00 2.12 ATOM 297 N ALA 20 -25.095 26.651 8.350 1.00 43.05 ATOM 298 HN ALA 20 -24.148 26.578 8.099 1.00 37.53 ATOM 299 CA ALA 20 -26.052 27.204 7.380 1.00 3.13 ATOM 300 HA ALA 20 -26.865 27.655 7.934 1.00 42.44 ATOM 301 CB ALA 20 -25.389 28.295 6.547 1.00 64.14 ATOM 302 HB1 ALA 20 -24.972 29.046 7.204 1.00 65.43 ATOM 303 HB2 ALA 20 -26.122 28.753 5.899 1.00 41.32 ATOM 304 HB3 ALA 20 -24.600 27.863 5.948 1.00 63.10 ATOM 305 C ALA 20 -26.625 26.106 6.471 1.00 10.51 ATOM 306 O ALA 20 -26.022 25.046 6.299 1.00 25.05 ATOM 307 N GLY 21 -27.788 26.363 5.879 1.00 45.01 ATOM 308 HN GLY 21 -28.217 27.233 6.021 1.00 37.53 ATOM 309 CA GLY 21 -28.430 25.363 5.029 1.00 1.44 ATOM 310 HA1 GLY 21 -29.499 25.436 5.162 1.00 37.53 ATOM 311 HA2 GLY 21 -28.112 24.379 5.345 1.00 51.33 ATOM 312 C GLY 21 -28.106 25.527 3.545 1.00 73.33 ATOM 313 O GLY 21 -29.011 25.613 2.713 1.00 34.20 ATOM 314 N SER 22 -26.817 25.553 3.205 1.00 35.14 ATOM 315 HN SER 22 -26.139 25.449 3.906 1.00 37.53 ATOM 316 CA SER 22 -26.386 25.738 1.808 1.00 34.22 ATOM 317 HA SER 22 -27.269 25.912 1.207 1.00 34.35 ATOM 318 CB SER 22 -25.455 26.956 1.682 1.00 31.30 ATOM 319 HB1 SER 22 -25.207 27.111 0.641 1.00 37.53 ATOM 320 HB2 SER 22 -24.549 26.776 2.240 1.00 33.42 ATOM 321 OG SER 22 -26.065 28.137 2.182 1.00 31.21 ATOM 322 HG SER 22 -25.397 28.680 2.621 1.00 53.25 ATOM 323 C SER 22 -25.663 24.498 1.265 1.00 31.12 ATOM 324 O SER 22 -25.029 23.751 2.016 1.00 40.34 ATOM 325 N ARG 23 -25.763 24.292 -0.050 1.00 54.31 ATOM 326 HN ARG 23 -26.369 24.866 -0.571 1.00 37.53 ATOM 327 CA ARG 23 -25.019 23.230 -0.747 1.00 73.41 ATOM 328 HA ARG 23 -25.430 22.274 -0.449 1.00 63.22 ATOM 329 CB ARG 23 -25.191 23.409 -2.266 1.00 63.23 ATOM 330 HB1 ARG 23 -24.704 24.332 -2.558 1.00 37.53 ATOM 331 HB2 ARG 23 -26.247 23.498 -2.482 1.00 54.34 ATOM 332 CG ARG 23 -24.628 22.277 -3.135 1.00 41.33 ATOM 333 HG1 ARG 23 -23.662 21.987 -2.746 1.00 37.53 ATOM 334 HG2 ARG 23 -24.510 22.641 -4.145 1.00 33.22 ATOM 335 CD ARG 23 -25.540 21.045 -3.162 1.00 31.34 ATOM 336 HD1 ARG 23 -25.381 20.519 -4.093 1.00 37.53 ATOM 337 HD2 ARG 23 -26.569 21.375 -3.116 1.00 24.22 ATOM 338 NE ARG 23 -25.285 20.124 -2.053 1.00 54.22 ATOM 339 HE ARG 23 -24.377 19.771 -1.965 1.00 70.32 ATOM 340 CZ ARG 23 -26.194 19.700 -1.214 1.00 60.02 ATOM 341 NH1 ARG 23 -27.407 20.156 -1.263 1.00 71.10 ATOM 342 HH11 ARG 23 -27.657 20.837 -1.946 1.00 30.04 ATOM 343 HH12 ARG 23 -28.092 19.819 -0.616 1.00 42.35 ATOM 344 NH2 ARG 23 -25.882 18.815 -0.325 1.00 15.00 ATOM 345 HH21 ARG 23 -24.951 18.453 -0.284 1.00 10.24 ATOM 346 HH22 ARG 23 -26.571 18.491 0.322 1.00 64.23 ATOM 347 C ARG 23 -23.524 23.287 -0.375 1.00 3.12 ATOM 348 O ARG 23 -22.877 22.260 -0.159 1.00 64.31 ATOM 349 N ASP 24 -23.004 24.511 -0.294 1.00 54.14 ATOM 350 HN ASP 24 -23.582 25.275 -0.504 1.00 37.53 ATOM 351 CA ASP 24 -21.610 24.779 0.088 1.00 42.20 ATOM 352 HA ASP 24 -20.964 24.336 -0.654 1.00 21.32 ATOM 353 CB ASP 24 -21.376 26.299 0.125 1.00 25.34 ATOM 354 HB1 ASP 24 -20.315 26.491 0.229 1.00 37.53 ATOM 355 HB2 ASP 24 -21.896 26.717 0.975 1.00 33.21 ATOM 356 CG ASP 24 -21.876 26.998 -1.128 1.00 2.01 ATOM 357 OD1 ASP 24 -23.084 26.895 -1.425 1.00 22.54 ATOM 358 OD2 ASP 24 -21.077 27.650 -1.826 1.00 3.32 ATOM 359 C ASP 24 -21.288 24.179 1.469 1.00 12.33 ATOM 360 O ASP 24 -20.317 23.435 1.633 1.00 50.11 ATOM 361 N GLU 25 -22.125 24.514 2.453 1.00 53.41 ATOM 362 HN GLU 25 -22.862 25.123 2.252 1.00 37.53 ATOM 363 CA GLU 25 -21.978 24.012 3.826 1.00 0.10 ATOM 364 HA GLU 25 -21.077 24.436 4.245 1.00 40.11 ATOM 365 CB GLU 25 -23.180 24.445 4.678 1.00 2.11 ATOM 366 HB1 GLU 25 -23.005 24.147 5.704 1.00 37.53 ATOM 367 HB2 GLU 25 -24.065 23.940 4.316 1.00 73.44 ATOM 368 CG GLU 25 -23.452 25.945 4.660 1.00 34.23 ATOM 369 HG1 GLU 25 -24.377 26.136 5.186 1.00 37.53 ATOM 370 HG2 GLU 25 -23.559 26.262 3.633 1.00 25.32 ATOM 371 CD GLU 25 -22.350 26.766 5.307 1.00 44.40 ATOM 372 OE1 GLU 25 -21.722 27.583 4.606 1.00 73.52 ATOM 373 OE2 GLU 25 -22.122 26.604 6.526 1.00 11.33 ATOM 374 C GLU 25 -21.868 22.484 3.850 1.00 10.10 ATOM 375 O GLU 25 -21.015 21.920 4.538 1.00 44.33 ATOM 376 N ARG 26 -22.737 21.825 3.089 1.00 11.35 ATOM 377 HN ARG 26 -23.391 22.335 2.565 1.00 37.53 ATOM 378 CA ARG 26 -22.749 20.362 3.015 1.00 65.51 ATOM 379 HA ARG 26 -22.881 19.989 4.022 1.00 63.43 ATOM 380 CB ARG 26 -23.928 19.888 2.155 1.00 70.01 ATOM 381 HB1 ARG 26 -23.892 18.812 2.078 1.00 37.53 ATOM 382 HB2 ARG 26 -23.833 20.314 1.167 1.00 31.31 ATOM 383 CG ARG 26 -25.294 20.283 2.719 1.00 73.35 ATOM 384 HG1 ARG 26 -26.065 19.933 2.044 1.00 37.53 ATOM 385 HG2 ARG 26 -25.346 21.360 2.795 1.00 32.45 ATOM 386 CD ARG 26 -25.532 19.676 4.100 1.00 11.00 ATOM 387 HD1 ARG 26 -24.737 19.993 4.759 1.00 37.53 ATOM 388 HD2 ARG 26 -25.515 18.599 4.011 1.00 63.43 ATOM 389 NE ARG 26 -26.812 20.081 4.679 1.00 62.01 ATOM 390 HE ARG 26 -27.329 20.757 4.204 1.00 35.53 ATOM 391 CZ ARG 26 -27.299 19.596 5.790 1.00 71.35 ATOM 392 NH1 ARG 26 -26.642 18.707 6.469 1.00 43.15 ATOM 393 HH11 ARG 26 -25.756 18.391 6.150 1.00 45.33 ATOM 394 HH12 ARG 26 -27.032 18.340 7.313 1.00 23.13 ATOM 395 NH2 ARG 26 -28.441 20.008 6.236 1.00 63.24 ATOM 396 HH21 ARG 26 -28.956 20.701 5.735 1.00 5.13 ATOM 397 HH22 ARG 26 -28.806 19.629 7.082 1.00 40.22 ATOM 398 C ARG 26 -21.421 19.814 2.467 1.00 53.53 ATOM 399 O ARG 26 -20.942 18.770 2.909 1.00 50.41 ATOM 400 N ARG 27 -20.824 20.529 1.514 1.00 5.21 ATOM 401 HN ARG 27 -21.277 21.324 1.157 1.00 37.53 ATOM 402 CA ARG 27 -19.503 20.160 0.992 1.00 1.52 ATOM 403 HA ARG 27 -19.540 19.119 0.699 1.00 22.54 ATOM 404 CB ARG 27 -19.143 21.016 -0.233 1.00 24.41 ATOM 405 HB1 ARG 27 -18.200 20.668 -0.632 1.00 37.53 ATOM 406 HB2 ARG 27 -19.029 22.043 0.083 1.00 12.31 ATOM 407 CG ARG 27 -20.177 20.977 -1.355 1.00 64.23 ATOM 408 HG1 ARG 27 -19.822 21.584 -2.176 1.00 37.53 ATOM 409 HG2 ARG 27 -21.107 21.384 -0.986 1.00 22.52 ATOM 410 CD ARG 27 -20.429 19.560 -1.865 1.00 75.40 ATOM 411 HD1 ARG 27 -21.203 19.599 -2.620 1.00 37.53 ATOM 412 HD2 ARG 27 -20.769 18.947 -1.041 1.00 53.10 ATOM 413 NE ARG 27 -19.229 18.953 -2.446 1.00 1.51 ATOM 414 HE ARG 27 -18.362 19.290 -2.149 1.00 52.05 ATOM 415 CZ ARG 27 -19.251 17.987 -3.327 1.00 33.45 ATOM 416 NH1 ARG 27 -20.377 17.528 -3.773 1.00 34.12 ATOM 417 HH11 ARG 27 -21.237 17.911 -3.445 1.00 24.05 ATOM 418 HH12 ARG 27 -20.381 16.797 -4.455 1.00 75.23 ATOM 419 NH2 ARG 27 -18.147 17.485 -3.774 1.00 41.41 ATOM 420 HH21 ARG 27 -17.268 17.834 -3.451 1.00 64.13 ATOM 421 HH22 ARG 27 -18.174 16.743 -4.443 1.00 41.02 ATOM 422 C ARG 27 -18.428 20.335 2.078 1.00 24.45 ATOM 423 O ARG 27 -17.550 19.485 2.249 1.00 54.03 ATOM 424 N ALA 28 -18.517 21.444 2.814 1.00 61.25 ATOM 425 HN ALA 28 -19.242 22.079 2.625 1.00 37.53 ATOM 426 CA ALA 28 -17.569 21.751 3.889 1.00 43.11 ATOM 427 HA ALA 28 -16.579 21.790 3.453 1.00 1.30 ATOM 428 CB ALA 28 -17.873 23.124 4.480 1.00 3.22 ATOM 429 HB1 ALA 28 -17.126 23.375 5.221 1.00 73.23 ATOM 430 HB2 ALA 28 -18.849 23.110 4.946 1.00 43.52 ATOM 431 HB3 ALA 28 -17.862 23.866 3.695 1.00 45.12 ATOM 432 C ALA 28 -17.581 20.678 4.991 1.00 22.02 ATOM 433 O ALA 28 -16.545 20.108 5.328 1.00 13.41 ATOM 434 N LEU 29 -18.761 20.401 5.543 1.00 2.11 ATOM 435 HN LEU 29 -19.560 20.875 5.223 1.00 37.53 ATOM 436 CA LEU 29 -18.898 19.413 6.623 1.00 61.21 ATOM 437 HA LEU 29 -18.143 19.649 7.361 1.00 15.20 ATOM 438 CB LEU 29 -20.282 19.537 7.294 1.00 54.30 ATOM 439 HB1 LEU 29 -20.326 20.501 7.782 1.00 37.53 ATOM 440 HB2 LEU 29 -20.356 18.772 8.056 1.00 72.12 ATOM 441 CG LEU 29 -21.511 19.414 6.366 1.00 33.35 ATOM 442 HG LEU 29 -21.274 19.874 5.416 1.00 71.41 ATOM 443 CD1 LEU 29 -21.869 17.954 6.090 1.00 20.02 ATOM 444 HD11 LEU 29 -21.031 17.456 5.626 1.00 43.11 ATOM 445 HD12 LEU 29 -22.722 17.910 5.428 1.00 72.53 ATOM 446 HD13 LEU 29 -22.111 17.459 7.020 1.00 23.22 ATOM 447 CD2 LEU 29 -22.708 20.160 6.953 1.00 25.12 ATOM 448 HD21 LEU 29 -22.960 19.740 7.917 1.00 24.22 ATOM 449 HD22 LEU 29 -23.552 20.067 6.287 1.00 34.30 ATOM 450 HD23 LEU 29 -22.457 21.205 7.070 1.00 34.01 ATOM 451 C LEU 29 -18.635 17.977 6.130 1.00 11.11 ATOM 452 O LEU 29 -18.333 17.086 6.925 1.00 33.01 ATOM 453 N ALA 30 -18.757 17.754 4.821 1.00 21.24 ATOM 454 HN ALA 30 -19.090 18.471 4.241 1.00 37.53 ATOM 455 CA ALA 30 -18.419 16.455 4.229 1.00 24.14 ATOM 456 HA ALA 30 -18.998 15.697 4.741 1.00 1.45 ATOM 457 CB ALA 30 -18.802 16.427 2.754 1.00 5.11 ATOM 458 HB1 ALA 30 -18.624 15.438 2.354 1.00 45.24 ATOM 459 HB2 ALA 30 -18.206 17.147 2.212 1.00 63.42 ATOM 460 HB3 ALA 30 -19.848 16.675 2.648 1.00 0.33 ATOM 461 C ALA 30 -16.923 16.139 4.403 1.00 2.41 ATOM 462 O ALA 30 -16.542 15.003 4.694 1.00 41.40 ATOM 463 N MET 31 -16.078 17.152 4.219 1.00 12.23 ATOM 464 HN MET 31 -16.436 18.024 3.940 1.00 37.53 ATOM 465 CA MET 31 -14.628 17.003 4.414 1.00 23.45 ATOM 466 HA MET 31 -14.395 15.948 4.383 1.00 34.32 ATOM 467 CB MET 31 -13.869 17.707 3.284 1.00 52.41 ATOM 468 HB1 MET 31 -12.806 17.606 3.462 1.00 37.53 ATOM 469 HB2 MET 31 -14.127 18.756 3.289 1.00 1.55 ATOM 470 CG MET 31 -14.177 17.144 1.902 1.00 43.13 ATOM 471 HG1 MET 31 -13.632 17.715 1.164 1.00 37.53 ATOM 472 HG2 MET 31 -15.239 17.238 1.715 1.00 34.32 ATOM 473 SD MET 31 -13.718 15.405 1.745 1.00 64.20 ATOM 474 CE MET 31 -11.941 15.495 1.955 1.00 12.15 ATOM 475 HE1 MET 31 -11.516 14.506 1.855 1.00 73.44 ATOM 476 HE2 MET 31 -11.712 15.886 2.936 1.00 41.12 ATOM 477 HE3 MET 31 -11.519 16.144 1.201 1.00 10.23 ATOM 478 C MET 31 -14.182 17.560 5.779 1.00 43.25 ATOM 479 O MET 31 -13.028 17.389 6.176 1.00 73.43 ATOM 480 N LYS 32 -15.109 18.226 6.475 1.00 53.05 ATOM 481 HN LYS 32 -15.988 18.358 6.063 1.00 37.53 ATOM 482 CA LYS 32 -14.877 18.781 7.821 1.00 11.31 ATOM 483 HA LYS 32 -15.822 19.192 8.151 1.00 44.24 ATOM 484 CB LYS 32 -14.477 17.665 8.802 1.00 21.11 ATOM 485 HB1 LYS 32 -14.253 18.102 9.766 1.00 37.53 ATOM 486 HB2 LYS 32 -13.594 17.166 8.427 1.00 24.21 ATOM 487 CG LYS 32 -15.580 16.623 8.992 1.00 23.25 ATOM 488 HG1 LYS 32 -15.886 16.260 8.019 1.00 37.53 ATOM 489 HG2 LYS 32 -16.424 17.095 9.477 1.00 52.44 ATOM 490 CD LYS 32 -15.126 15.440 9.841 1.00 0.35 ATOM 491 HD1 LYS 32 -14.815 15.803 10.812 1.00 37.53 ATOM 492 HD2 LYS 32 -14.292 14.955 9.352 1.00 62.33 ATOM 493 CE LYS 32 -16.251 14.423 10.026 1.00 3.11 ATOM 494 HE1 LYS 32 -16.649 14.163 9.054 1.00 37.53 ATOM 495 HE2 LYS 32 -17.033 14.872 10.623 1.00 61.13 ATOM 496 NZ LYS 32 -15.790 13.184 10.705 1.00 20.03 ATOM 497 HZ1 LYS 32 -15.420 13.407 11.649 1.00 60.54 ATOM 498 HZ2 LYS 32 -15.041 12.724 10.150 1.00 21.13 ATOM 499 HZ3 LYS 32 -16.581 12.518 10.806 1.00 51.03 ATOM 500 C LYS 32 -13.843 19.925 7.817 1.00 74.22 ATOM 501 O LYS 32 -12.635 19.693 7.879 1.00 65.20 ATOM 502 N ILE 33 -14.342 21.160 7.720 1.00 53.53 ATOM 503 HN ILE 33 -15.312 21.267 7.652 1.00 37.53 ATOM 504 CA ILE 33 -13.498 22.366 7.710 1.00 60.53 ATOM 505 HA ILE 33 -12.463 22.054 7.644 1.00 51.42 ATOM 506 CB ILE 33 -13.825 23.251 6.477 1.00 52.21 ATOM 507 HB ILE 33 -14.862 23.551 6.547 1.00 30.52 ATOM 508 CG1 ILE 33 -13.628 22.458 5.171 1.00 24.32 ATOM 509 HG11 ILE 33 -13.853 23.100 4.331 1.00 37.53 ATOM 510 HG12 ILE 33 -14.307 21.618 5.163 1.00 42.14 ATOM 511 CG2 ILE 33 -12.975 24.518 6.467 1.00 62.32 ATOM 512 HG21 ILE 33 -11.929 24.252 6.405 1.00 33.14 ATOM 513 HG22 ILE 33 -13.147 25.076 7.376 1.00 30.42 ATOM 514 HG23 ILE 33 -13.243 25.128 5.616 1.00 22.30 ATOM 515 CD1 ILE 33 -12.223 21.915 4.980 1.00 2.11 ATOM 516 HD11 ILE 33 -11.995 21.215 5.771 1.00 4.01 ATOM 517 HD12 ILE 33 -11.512 22.730 5.006 1.00 1.31 ATOM 518 HD13 ILE 33 -12.159 21.413 4.027 1.00 22.13 ATOM 519 C ILE 33 -13.696 23.192 9.003 1.00 74.52 ATOM 520 O ILE 33 -14.817 23.575 9.328 1.00 72.20 ATOM 521 N PRO 34 -12.605 23.487 9.749 1.00 41.35 ATOM 522 CA PRO 34 -12.686 24.152 11.072 1.00 14.52 ATOM 523 HA PRO 34 -13.361 23.621 11.728 1.00 44.20 ATOM 524 CB PRO 34 -11.248 24.034 11.624 1.00 32.22 ATOM 525 HB1 PRO 34 -11.280 23.663 12.638 1.00 37.53 ATOM 526 HB2 PRO 34 -10.771 25.005 11.613 1.00 51.12 ATOM 527 CG PRO 34 -10.539 23.076 10.721 1.00 55.22 ATOM 528 HG1 PRO 34 -10.635 22.070 11.106 1.00 37.53 ATOM 529 HG2 PRO 34 -9.496 23.348 10.641 1.00 5.02 ATOM 530 CD PRO 34 -11.213 23.189 9.383 1.00 24.32 ATOM 531 HD1 PRO 34 -11.145 22.256 8.841 1.00 37.53 ATOM 532 HD2 PRO 34 -10.783 23.997 8.806 1.00 44.34 ATOM 533 C PRO 34 -13.106 25.639 11.026 1.00 63.12 ATOM 534 O PRO 34 -13.521 26.201 12.043 1.00 21.43 ATOM 535 N PHE 35 -12.990 26.273 9.862 1.00 50.21 ATOM 536 HN PHE 35 -12.738 25.763 9.067 1.00 37.53 ATOM 537 CA PHE 35 -13.252 27.717 9.735 1.00 34.24 ATOM 538 HA PHE 35 -13.504 28.082 10.723 1.00 55.04 ATOM 539 CB PHE 35 -11.979 28.446 9.262 1.00 0.31 ATOM 540 HB1 PHE 35 -11.321 28.581 10.111 1.00 37.53 ATOM 541 HB2 PHE 35 -12.253 29.417 8.876 1.00 3.11 ATOM 542 CG PHE 35 -11.203 27.721 8.185 1.00 33.02 ATOM 543 CD1 PHE 35 -10.149 26.881 8.519 1.00 42.55 ATOM 544 HD1 PHE 35 -9.892 26.743 9.560 1.00 64.21 ATOM 545 CD2 PHE 35 -11.518 27.885 6.844 1.00 65.14 ATOM 546 HD2 PHE 35 -12.334 28.536 6.567 1.00 32.03 ATOM 547 CE1 PHE 35 -9.431 26.221 7.542 1.00 13.02 ATOM 548 HE1 PHE 35 -8.613 25.570 7.818 1.00 10.35 ATOM 549 CE2 PHE 35 -10.801 27.225 5.863 1.00 65.01 ATOM 550 HE2 PHE 35 -11.057 27.361 4.823 1.00 21.12 ATOM 551 CZ PHE 35 -9.757 26.393 6.212 1.00 1.01 ATOM 552 HZ PHE 35 -9.196 25.877 5.445 1.00 34.31 ATOM 553 C PHE 35 -14.445 28.019 8.804 1.00 14.53 ATOM 554 O PHE 35 -14.715 27.276 7.860 1.00 71.43 ATOM 555 N PRO 36 -15.176 29.130 9.071 1.00 1.12 ATOM 556 CA PRO 36 -16.411 29.482 8.335 1.00 32.42 ATOM 557 HA PRO 36 -17.153 28.703 8.438 1.00 71.34 ATOM 558 CB PRO 36 -16.908 30.748 9.055 1.00 44.13 ATOM 559 HB1 PRO 36 -17.663 30.479 9.781 1.00 37.53 ATOM 560 HB2 PRO 36 -17.329 31.441 8.336 1.00 15.02 ATOM 561 CG PRO 36 -15.697 31.314 9.714 1.00 14.32 ATOM 562 HG1 PRO 36 -15.984 31.882 10.589 1.00 37.53 ATOM 563 HG2 PRO 36 -15.159 31.944 9.017 1.00 5.54 ATOM 564 CD PRO 36 -14.859 30.130 10.110 1.00 4.03 ATOM 565 HD1 PRO 36 -15.145 29.773 11.088 1.00 37.53 ATOM 566 HD2 PRO 36 -13.809 30.385 10.093 1.00 35.14 ATOM 567 C PRO 36 -16.192 29.761 6.836 1.00 1.32 ATOM 568 O PRO 36 -15.207 30.390 6.435 1.00 44.41 ATOM 569 N THR 37 -17.150 29.314 6.020 1.00 10.34 ATOM 570 HN THR 37 -17.937 28.882 6.413 1.00 37.53 ATOM 571 CA THR 37 -17.080 29.449 4.556 1.00 33.14 ATOM 572 HA THR 37 -16.188 28.942 4.218 1.00 45.02 ATOM 573 CB THR 37 -18.299 28.782 3.877 1.00 3.34 ATOM 574 HB THR 37 -18.223 28.924 2.807 1.00 23.45 ATOM 575 OG1 THR 37 -19.515 29.391 4.345 1.00 21.22 ATOM 576 HG1 THR 37 -20.176 28.700 4.509 1.00 72.23 ATOM 577 CG2 THR 37 -18.336 27.285 4.168 1.00 20.33 ATOM 578 HG21 THR 37 -19.187 26.843 3.670 1.00 0.50 ATOM 579 HG22 THR 37 -18.422 27.128 5.234 1.00 54.22 ATOM 580 HG23 THR 37 -17.429 26.822 3.807 1.00 74.31 ATOM 581 C THR 37 -17.019 30.914 4.103 1.00 54.05 ATOM 582 O THR 37 -16.267 31.262 3.190 1.00 72.30 ATOM 583 N ASP 38 -17.821 31.763 4.742 1.00 62.34 ATOM 584 HN ASP 38 -18.415 31.416 5.443 1.00 37.53 ATOM 585 CA ASP 38 -17.857 33.196 4.425 1.00 2.21 ATOM 586 HA ASP 38 -18.218 33.294 3.408 1.00 13.12 ATOM 587 CB ASP 38 -18.837 33.917 5.363 1.00 73.52 ATOM 588 HB1 ASP 38 -19.848 33.642 5.096 1.00 37.53 ATOM 589 HB2 ASP 38 -18.721 34.987 5.246 1.00 15.12 ATOM 590 CG ASP 38 -18.610 33.563 6.824 1.00 31.54 ATOM 591 OD1 ASP 38 -17.768 34.209 7.479 1.00 54.15 ATOM 592 OD2 ASP 38 -19.269 32.629 7.321 1.00 54.41 ATOM 593 C ASP 38 -16.460 33.838 4.506 1.00 75.03 ATOM 594 O ASP 38 -16.033 34.544 3.587 1.00 31.31 ATOM 595 N LYS 39 -15.749 33.582 5.602 1.00 43.21 ATOM 596 HN LYS 39 -16.143 33.023 6.304 1.00 37.53 ATOM 597 CA LYS 39 -14.402 34.124 5.795 1.00 32.10 ATOM 598 HA LYS 39 -14.482 35.202 5.766 1.00 63.02 ATOM 599 CB LYS 39 -13.853 33.710 7.165 1.00 32.13 ATOM 600 HB1 LYS 39 -13.842 32.630 7.226 1.00 37.53 ATOM 601 HB2 LYS 39 -14.507 34.098 7.932 1.00 73.11 ATOM 602 CG LYS 39 -12.442 34.218 7.434 1.00 33.45 ATOM 603 HG1 LYS 39 -12.403 35.275 7.202 1.00 37.53 ATOM 604 HG2 LYS 39 -11.752 33.688 6.792 1.00 34.21 ATOM 605 CD LYS 39 -12.020 34.014 8.885 1.00 41.43 ATOM 606 HD1 LYS 39 -10.987 34.311 8.994 1.00 37.53 ATOM 607 HD2 LYS 39 -12.124 32.967 9.137 1.00 54.30 ATOM 608 CE LYS 39 -12.876 34.839 9.840 1.00 21.44 ATOM 609 HE1 LYS 39 -13.893 34.472 9.800 1.00 37.53 ATOM 610 HE2 LYS 39 -12.856 35.872 9.524 1.00 2.34 ATOM 611 NZ LYS 39 -12.389 34.757 11.240 1.00 1.32 ATOM 612 HZ1 LYS 39 -11.419 35.131 11.304 1.00 3.40 ATOM 613 HZ2 LYS 39 -12.389 33.769 11.563 1.00 13.20 ATOM 614 HZ3 LYS 39 -13.006 35.313 11.868 1.00 12.45 ATOM 615 C LYS 39 -13.447 33.678 4.677 1.00 14.42 ATOM 616 O LYS 39 -12.649 34.474 4.181 1.00 64.10 ATOM 617 N ILE 40 -13.551 32.410 4.272 1.00 52.52 ATOM 618 HN ILE 40 -14.186 31.817 4.728 1.00 37.53 ATOM 619 CA ILE 40 -12.744 31.871 3.165 1.00 24.04 ATOM 620 HA ILE 40 -11.709 31.847 3.480 1.00 71.51 ATOM 621 CB ILE 40 -13.186 30.426 2.807 1.00 41.24 ATOM 622 HB ILE 40 -14.212 30.467 2.468 1.00 32.30 ATOM 623 CG1 ILE 40 -13.107 29.510 4.039 1.00 34.24 ATOM 624 HG11 ILE 40 -13.699 29.936 4.836 1.00 37.53 ATOM 625 HG12 ILE 40 -12.077 29.438 4.362 1.00 24.43 ATOM 626 CG2 ILE 40 -12.338 29.867 1.664 1.00 1.21 ATOM 627 HG21 ILE 40 -12.687 28.876 1.406 1.00 20.04 ATOM 628 HG22 ILE 40 -11.304 29.814 1.973 1.00 23.12 ATOM 629 HG23 ILE 40 -12.422 30.512 0.801 1.00 10.23 ATOM 630 CD1 ILE 40 -13.613 28.100 3.786 1.00 5.23 ATOM 631 HD11 ILE 40 -14.644 28.140 3.466 1.00 23.03 ATOM 632 HD12 ILE 40 -13.542 27.524 4.696 1.00 21.40 ATOM 633 HD13 ILE 40 -13.015 27.633 3.016 1.00 65.42 ATOM 634 C ILE 40 -12.871 32.747 1.905 1.00 32.14 ATOM 635 O ILE 40 -11.897 32.989 1.188 1.00 12.55 ATOM 636 N VAL 41 -14.087 33.220 1.652 1.00 2.14 ATOM 637 HN VAL 41 -14.814 33.006 2.276 1.00 37.53 ATOM 638 CA VAL 41 -14.382 34.043 0.472 1.00 70.34 ATOM 639 HA VAL 41 -13.910 33.579 -0.384 1.00 62.42 ATOM 640 CB VAL 41 -15.908 34.096 0.207 1.00 32.43 ATOM 641 HB VAL 41 -16.382 34.577 1.053 1.00 71.03 ATOM 642 CG1 VAL 41 -16.222 34.923 -1.042 1.00 43.13 ATOM 643 HG11 VAL 41 -15.740 34.478 -1.899 1.00 3.24 ATOM 644 HG12 VAL 41 -15.859 35.934 -0.910 1.00 53.11 ATOM 645 HG13 VAL 41 -17.291 34.945 -1.203 1.00 0.24 ATOM 646 CG2 VAL 41 -16.478 32.681 0.085 1.00 61.14 ATOM 647 HG21 VAL 41 -16.007 32.173 -0.745 1.00 13.40 ATOM 648 HG22 VAL 41 -17.543 32.734 -0.084 1.00 40.41 ATOM 649 HG23 VAL 41 -16.286 32.133 0.998 1.00 41.21 ATOM 650 C VAL 41 -13.849 35.481 0.616 1.00 35.45 ATOM 651 O VAL 41 -13.401 36.090 -0.361 1.00 30.25 ATOM 652 N ASN 42 -13.901 36.021 1.832 1.00 42.12 ATOM 653 HN ASN 42 -14.216 35.471 2.583 1.00 37.53 ATOM 654 CA ASN 42 -13.496 37.415 2.078 1.00 1.51 ATOM 655 HA ASN 42 -13.800 37.992 1.218 1.00 72.32 ATOM 656 CB ASN 42 -14.220 37.977 3.310 1.00 11.52 ATOM 657 HB1 ASN 42 -13.765 38.916 3.594 1.00 37.53 ATOM 658 HB2 ASN 42 -14.124 37.277 4.129 1.00 43.42 ATOM 659 CG ASN 42 -15.699 38.221 3.054 1.00 43.04 ATOM 660 OD1 ASN 42 -16.096 39.297 2.613 1.00 24.20 ATOM 661 ND2 ASN 42 -16.528 37.238 3.336 1.00 52.13 ATOM 662 HD21 ASN 42 -16.158 36.408 3.698 1.00 61.24 ATOM 663 HD22 ASN 42 -17.482 37.377 3.167 1.00 72.24 ATOM 664 C ASN 42 -11.972 37.579 2.241 1.00 3.02 ATOM 665 O ASN 42 -11.423 38.636 1.924 1.00 63.10 ATOM 666 N LEU 43 -11.291 36.550 2.740 1.00 25.42 ATOM 667 HN LEU 43 -11.767 35.722 2.964 1.00 37.53 ATOM 668 CA LEU 43 -9.837 36.626 2.951 1.00 12.34 ATOM 669 HA LEU 43 -9.638 37.528 3.512 1.00 10.12 ATOM 670 CB LEU 43 -9.333 35.422 3.765 1.00 74.14 ATOM 671 HB1 LEU 43 -8.251 35.419 3.731 1.00 37.53 ATOM 672 HB2 LEU 43 -9.690 34.520 3.288 1.00 12.42 ATOM 673 CG LEU 43 -9.762 35.385 5.241 1.00 31.43 ATOM 674 HG LEU 43 -10.837 35.278 5.293 1.00 34.13 ATOM 675 CD1 LEU 43 -9.141 34.182 5.948 1.00 63.42 ATOM 676 HD11 LEU 43 -8.062 34.255 5.911 1.00 43.12 ATOM 677 HD12 LEU 43 -9.455 33.272 5.455 1.00 42.44 ATOM 678 HD13 LEU 43 -9.464 34.161 6.979 1.00 51.15 ATOM 679 CD2 LEU 43 -9.385 36.687 5.948 1.00 43.42 ATOM 680 HD21 LEU 43 -8.314 36.832 5.894 1.00 73.11 ATOM 681 HD22 LEU 43 -9.688 36.637 6.984 1.00 70.40 ATOM 682 HD23 LEU 43 -9.885 37.517 5.469 1.00 33.11 ATOM 683 C LEU 43 -9.066 36.700 1.621 1.00 72.41 ATOM 684 O LEU 43 -9.412 36.021 0.650 1.00 34.11 ATOM 685 N PRO 44 -8.011 37.538 1.559 1.00 2.30 ATOM 686 CA PRO 44 -7.119 37.606 0.393 1.00 75.13 ATOM 687 HA PRO 44 -7.675 37.623 -0.534 1.00 31.15 ATOM 688 CB PRO 44 -6.400 38.946 0.593 1.00 3.01 ATOM 689 HB1 PRO 44 -6.970 39.737 0.128 1.00 37.53 ATOM 690 HB2 PRO 44 -5.412 38.904 0.155 1.00 2.35 ATOM 691 CG PRO 44 -6.343 39.117 2.074 1.00 22.31 ATOM 692 HG1 PRO 44 -6.303 40.168 2.322 1.00 37.53 ATOM 693 HG2 PRO 44 -5.475 38.606 2.472 1.00 63.54 ATOM 694 CD PRO 44 -7.609 38.497 2.614 1.00 60.45 ATOM 695 HD1 PRO 44 -8.369 39.252 2.756 1.00 37.53 ATOM 696 HD2 PRO 44 -7.410 37.984 3.546 1.00 0.54 ATOM 697 C PRO 44 -6.117 36.439 0.366 1.00 72.21 ATOM 698 O PRO 44 -6.013 35.678 1.330 1.00 1.34 ATOM 699 N VAL 45 -5.371 36.316 -0.732 1.00 4.40 ATOM 700 HN VAL 45 -5.462 36.985 -1.442 1.00 37.53 ATOM 701 CA VAL 45 -4.422 35.207 -0.914 1.00 13.21 ATOM 702 HA VAL 45 -5.001 34.297 -1.005 1.00 54.31 ATOM 703 CB VAL 45 -3.607 35.387 -2.223 1.00 15.54 ATOM 704 HB VAL 45 -4.308 35.427 -3.046 1.00 44.10 ATOM 705 CG1 VAL 45 -2.827 36.702 -2.210 1.00 31.21 ATOM 706 HG11 VAL 45 -3.514 37.528 -2.088 1.00 2.35 ATOM 707 HG12 VAL 45 -2.292 36.817 -3.142 1.00 55.44 ATOM 708 HG13 VAL 45 -2.123 36.699 -1.389 1.00 72.45 ATOM 709 CG2 VAL 45 -2.680 34.194 -2.456 1.00 70.33 ATOM 710 HG21 VAL 45 -2.160 34.318 -3.396 1.00 0.13 ATOM 711 HG22 VAL 45 -3.263 33.285 -2.486 1.00 42.42 ATOM 712 HG23 VAL 45 -1.961 34.131 -1.652 1.00 21.15 ATOM 713 C VAL 45 -3.461 35.057 0.281 1.00 13.23 ATOM 714 O VAL 45 -3.165 33.946 0.714 1.00 5.44 ATOM 715 N ASP 46 -3.006 36.184 0.825 1.00 62.20 ATOM 716 HN ASP 46 -3.313 37.042 0.462 1.00 37.53 ATOM 717 CA ASP 46 -2.052 36.189 1.940 1.00 73.43 ATOM 718 HA ASP 46 -1.149 35.695 1.609 1.00 3.13 ATOM 719 CB ASP 46 -1.719 37.636 2.314 1.00 44.01 ATOM 720 HB1 ASP 46 -0.853 37.647 2.961 1.00 37.53 ATOM 721 HB2 ASP 46 -2.560 38.070 2.836 1.00 64.32 ATOM 722 CG ASP 46 -1.421 38.482 1.091 1.00 30.31 ATOM 723 OD1 ASP 46 -2.382 38.967 0.456 1.00 42.01 ATOM 724 OD2 ASP 46 -0.233 38.658 0.751 1.00 51.41 ATOM 725 C ASP 46 -2.610 35.446 3.167 1.00 34.54 ATOM 726 O ASP 46 -2.067 34.421 3.593 1.00 54.13 ATOM 727 N ASP 47 -3.704 35.963 3.724 1.00 31.23 ATOM 728 HN ASP 47 -4.092 36.781 3.342 1.00 37.53 ATOM 729 CA ASP 47 -4.339 35.361 4.901 1.00 22.41 ATOM 730 HA ASP 47 -3.574 35.221 5.652 1.00 63.12 ATOM 731 CB ASP 47 -5.402 36.313 5.453 1.00 32.20 ATOM 732 HB1 ASP 47 -5.867 35.866 6.322 1.00 37.53 ATOM 733 HB2 ASP 47 -6.154 36.486 4.695 1.00 44.15 ATOM 734 CG ASP 47 -4.803 37.647 5.855 1.00 3.15 ATOM 735 OD1 ASP 47 -4.343 37.775 7.011 1.00 12.42 ATOM 736 OD2 ASP 47 -4.768 38.565 5.013 1.00 10.04 ATOM 737 C ASP 47 -4.959 33.993 4.577 1.00 72.02 ATOM 738 O ASP 47 -5.113 33.147 5.456 1.00 41.11 ATOM 739 N PHE 48 -5.311 33.788 3.310 1.00 21.21 ATOM 740 HN PHE 48 -5.223 34.526 2.670 1.00 37.53 ATOM 741 CA PHE 48 -5.834 32.500 2.841 1.00 44.44 ATOM 742 HA PHE 48 -6.688 32.246 3.453 1.00 11.52 ATOM 743 CB PHE 48 -6.285 32.620 1.378 1.00 61.01 ATOM 744 HB1 PHE 48 -5.428 32.874 0.768 1.00 37.53 ATOM 745 HB2 PHE 48 -7.016 33.412 1.302 1.00 41.13 ATOM 746 CG PHE 48 -6.904 31.364 0.815 1.00 73.10 ATOM 747 CD1 PHE 48 -6.229 30.601 -0.129 1.00 23.23 ATOM 748 HD1 PHE 48 -5.248 30.911 -0.458 1.00 54.33 ATOM 749 CD2 PHE 48 -8.162 30.949 1.229 1.00 63.22 ATOM 750 HD2 PHE 48 -8.699 31.533 1.964 1.00 60.34 ATOM 751 CE1 PHE 48 -6.798 29.454 -0.649 1.00 73.23 ATOM 752 HE1 PHE 48 -6.262 28.870 -1.383 1.00 42.35 ATOM 753 CE2 PHE 48 -8.734 29.802 0.711 1.00 41.43 ATOM 754 HE2 PHE 48 -9.715 29.490 1.041 1.00 63.03 ATOM 755 CZ PHE 48 -8.052 29.054 -0.227 1.00 53.13 ATOM 756 HZ PHE 48 -8.500 28.158 -0.632 1.00 21.12 ATOM 757 C PHE 48 -4.773 31.396 2.985 1.00 13.30 ATOM 758 O PHE 48 -5.035 30.332 3.553 1.00 25.33 ATOM 759 N ASN 49 -3.570 31.664 2.473 1.00 54.23 ATOM 760 HN ASN 49 -3.437 32.508 1.987 1.00 37.53 ATOM 761 CA ASN 49 -2.441 30.736 2.613 1.00 61.33 ATOM 762 HA ASN 49 -2.723 29.800 2.152 1.00 1.04 ATOM 763 CB ASN 49 -1.205 31.291 1.897 1.00 22.20 ATOM 764 HB1 ASN 49 -0.374 30.617 2.048 1.00 37.53 ATOM 765 HB2 ASN 49 -0.959 32.256 2.317 1.00 3.05 ATOM 766 CG ASN 49 -1.421 31.457 0.404 1.00 23.11 ATOM 767 OD1 ASN 49 -2.170 30.711 -0.219 1.00 3.52 ATOM 768 ND2 ASN 49 -0.763 32.436 -0.184 1.00 13.52 ATOM 769 HD21 ASN 49 -0.176 32.995 0.366 1.00 24.21 ATOM 770 HD22 ASN 49 -0.894 32.566 -1.143 1.00 50.20 ATOM 771 C ASN 49 -2.120 30.482 4.094 1.00 51.43 ATOM 772 O ASN 49 -1.914 29.339 4.512 1.00 31.22 ATOM 773 N GLU 50 -2.084 31.558 4.883 1.00 62.01 ATOM 774 HN GLU 50 -2.185 32.449 4.477 1.00 37.53 ATOM 775 CA GLU 50 -1.888 31.452 6.334 1.00 10.12 ATOM 776 HA GLU 50 -0.922 30.997 6.504 1.00 41.04 ATOM 777 CB GLU 50 -1.899 32.849 6.976 1.00 13.54 ATOM 778 HB1 GLU 50 -1.917 32.738 8.052 1.00 37.53 ATOM 779 HB2 GLU 50 -2.795 33.366 6.663 1.00 42.31 ATOM 780 CG GLU 50 -0.697 33.715 6.607 1.00 31.02 ATOM 781 HG1 GLU 50 -0.853 34.711 6.999 1.00 37.53 ATOM 782 HG2 GLU 50 -0.623 33.766 5.529 1.00 34.40 ATOM 783 CD GLU 50 0.610 33.172 7.166 1.00 21.52 ATOM 784 OE1 GLU 50 1.478 32.737 6.377 1.00 62.35 ATOM 785 OE2 GLU 50 0.770 33.161 8.403 1.00 31.50 ATOM 786 C GLU 50 -2.969 30.573 6.983 1.00 51.33 ATOM 787 O GLU 50 -2.670 29.698 7.794 1.00 20.52 ATOM 788 N LEU 51 -4.224 30.806 6.605 1.00 74.15 ATOM 789 HN LEU 51 -4.394 31.508 5.943 1.00 37.53 ATOM 790 CA LEU 51 -5.361 30.049 7.139 1.00 33.05 ATOM 791 HA LEU 51 -5.392 30.209 8.207 1.00 24.03 ATOM 792 CB LEU 51 -6.665 30.572 6.520 1.00 64.13 ATOM 793 HB1 LEU 51 -6.621 30.406 5.453 1.00 37.53 ATOM 794 HB2 LEU 51 -6.717 31.638 6.697 1.00 24.35 ATOM 795 CG LEU 51 -7.957 29.934 7.051 1.00 51.54 ATOM 796 HG LEU 51 -7.907 28.863 6.906 1.00 22.51 ATOM 797 CD1 LEU 51 -8.114 30.195 8.546 1.00 63.41 ATOM 798 HD11 LEU 51 -8.164 31.261 8.722 1.00 54.43 ATOM 799 HD12 LEU 51 -7.269 29.782 9.076 1.00 54.25 ATOM 800 HD13 LEU 51 -9.023 29.730 8.899 1.00 1.12 ATOM 801 CD2 LEU 51 -9.164 30.459 6.278 1.00 73.11 ATOM 802 HD21 LEU 51 -9.045 30.235 5.227 1.00 71.32 ATOM 803 HD22 LEU 51 -9.244 31.528 6.412 1.00 13.34 ATOM 804 HD23 LEU 51 -10.061 29.983 6.647 1.00 73.12 ATOM 805 C LEU 51 -5.204 28.542 6.868 1.00 41.03 ATOM 806 O LEU 51 -5.403 27.714 7.760 1.00 14.14 ATOM 807 N LEU 52 -4.831 28.196 5.635 1.00 51.00 ATOM 808 HN LEU 52 -4.728 28.898 4.953 1.00 37.53 ATOM 809 CA LEU 52 -4.574 26.797 5.265 1.00 64.01 ATOM 810 HA LEU 52 -5.441 26.218 5.551 1.00 43.41 ATOM 811 CB LEU 52 -4.373 26.671 3.746 1.00 25.41 ATOM 812 HB1 LEU 52 -4.081 25.652 3.525 1.00 37.53 ATOM 813 HB2 LEU 52 -3.563 27.327 3.458 1.00 51.43 ATOM 814 CG LEU 52 -5.601 27.016 2.887 1.00 1.02 ATOM 815 HG LEU 52 -5.867 28.051 3.054 1.00 62.41 ATOM 816 CD1 LEU 52 -5.284 26.851 1.402 1.00 3.43 ATOM 817 HD11 LEU 52 -4.445 27.481 1.139 1.00 2.23 ATOM 818 HD12 LEU 52 -6.143 27.139 0.815 1.00 20.40 ATOM 819 HD13 LEU 52 -5.038 25.819 1.196 1.00 14.24 ATOM 820 CD2 LEU 52 -6.799 26.154 3.286 1.00 52.43 ATOM 821 HD21 LEU 52 -6.542 25.109 3.188 1.00 45.14 ATOM 822 HD22 LEU 52 -7.636 26.380 2.640 1.00 14.34 ATOM 823 HD23 LEU 52 -7.072 26.363 4.311 1.00 53.13 ATOM 824 C LEU 52 -3.348 26.234 6.002 1.00 52.12 ATOM 825 O LEU 52 -3.277 25.039 6.282 1.00 1.52 ATOM 826 N ALA 53 -2.384 27.100 6.307 1.00 75.44 ATOM 827 HN ALA 53 -2.483 28.034 6.027 1.00 37.53 ATOM 828 CA ALA 53 -1.174 26.698 7.036 1.00 23.23 ATOM 829 HA ALA 53 -0.821 25.771 6.607 1.00 51.21 ATOM 830 CB ALA 53 -0.084 27.748 6.850 1.00 14.50 ATOM 831 HB1 ALA 53 0.115 27.878 5.795 1.00 72.02 ATOM 832 HB2 ALA 53 0.819 27.428 7.350 1.00 74.12 ATOM 833 HB3 ALA 53 -0.412 28.689 7.271 1.00 12.14 ATOM 834 C ALA 53 -1.452 26.474 8.534 1.00 45.21 ATOM 835 O ALA 53 -0.783 25.673 9.188 1.00 74.10 ATOM 836 N ARG 54 -2.448 27.180 9.066 1.00 23.01 ATOM 837 HN ARG 54 -2.962 27.783 8.485 1.00 37.53 ATOM 838 CA ARG 54 -2.800 27.096 10.492 1.00 64.01 ATOM 839 HA ARG 54 -1.920 27.354 11.064 1.00 53.44 ATOM 840 CB ARG 54 -3.912 28.105 10.814 1.00 4.45 ATOM 841 HB1 ARG 54 -4.287 27.904 11.808 1.00 37.53 ATOM 842 HB2 ARG 54 -4.717 27.968 10.106 1.00 62.34 ATOM 843 CG ARG 54 -3.472 29.565 10.759 1.00 14.23 ATOM 844 HG1 ARG 54 -3.017 29.758 9.799 1.00 37.53 ATOM 845 HG2 ARG 54 -2.750 29.743 11.543 1.00 10.23 ATOM 846 CD ARG 54 -4.652 30.516 10.948 1.00 74.51 ATOM 847 HD1 ARG 54 -5.319 30.416 10.103 1.00 37.53 ATOM 848 HD2 ARG 54 -4.276 31.530 10.989 1.00 60.41 ATOM 849 NE ARG 54 -5.397 30.237 12.177 1.00 63.11 ATOM 850 HE ARG 54 -5.188 29.414 12.657 1.00 31.50 ATOM 851 CZ ARG 54 -6.319 31.020 12.666 1.00 10.35 ATOM 852 NH1 ARG 54 -6.623 32.132 12.074 1.00 52.34 ATOM 853 HH11 ARG 54 -6.152 32.396 11.233 1.00 12.33 ATOM 854 HH12 ARG 54 -7.318 32.729 12.465 1.00 20.35 ATOM 855 NH2 ARG 54 -6.933 30.688 13.753 1.00 61.03 ATOM 856 HH21 ARG 54 -6.703 29.835 14.218 1.00 51.42 ATOM 857 HH22 ARG 54 -7.638 31.287 14.127 1.00 21.21 ATOM 858 C ARG 54 -3.262 25.688 10.912 1.00 4.40 ATOM 859 O ARG 54 -2.795 25.140 11.914 1.00 14.40 ATOM 860 N TYR 55 -4.188 25.115 10.150 1.00 75.40 ATOM 861 HN TYR 55 -4.446 25.550 9.309 1.00 37.53 ATOM 862 CA TYR 55 -4.825 23.843 10.525 1.00 31.34 ATOM 863 HA TYR 55 -4.633 23.679 11.578 1.00 44.41 ATOM 864 CB TYR 55 -6.343 23.945 10.315 1.00 21.33 ATOM 865 HB1 TYR 55 -6.807 23.015 10.614 1.00 37.53 ATOM 866 HB2 TYR 55 -6.548 24.122 9.268 1.00 20.31 ATOM 867 CG TYR 55 -6.981 25.066 11.117 1.00 0.51 ATOM 868 CD1 TYR 55 -7.371 24.865 12.437 1.00 72.10 ATOM 869 HD1 TYR 55 -7.226 23.893 12.885 1.00 65.54 ATOM 870 CD2 TYR 55 -7.181 26.326 10.560 1.00 62.34 ATOM 871 HD2 TYR 55 -6.890 26.498 9.533 1.00 34.03 ATOM 872 CE1 TYR 55 -7.937 25.885 13.176 1.00 34.31 ATOM 873 HE1 TYR 55 -8.234 25.706 14.199 1.00 35.44 ATOM 874 CE2 TYR 55 -7.750 27.350 11.293 1.00 21.35 ATOM 875 HE2 TYR 55 -7.896 28.319 10.840 1.00 33.24 ATOM 876 CZ TYR 55 -8.125 27.127 12.600 1.00 2.23 ATOM 877 OH TYR 55 -8.687 28.147 13.335 1.00 51.53 ATOM 878 HH TYR 55 -8.285 28.169 14.210 1.00 12.15 ATOM 879 C TYR 55 -4.259 22.651 9.733 1.00 34.42 ATOM 880 O TYR 55 -3.927 22.780 8.553 1.00 61.01 ATOM 881 N PRO 56 -4.138 21.468 10.378 1.00 52.40 ATOM 882 CA PRO 56 -3.645 20.238 9.725 1.00 41.30 ATOM 883 HA PRO 56 -2.728 20.425 9.186 1.00 71.41 ATOM 884 CB PRO 56 -3.363 19.282 10.908 1.00 42.31 ATOM 885 HB1 PRO 56 -2.361 18.887 10.820 1.00 37.53 ATOM 886 HB2 PRO 56 -4.072 18.464 10.897 1.00 51.40 ATOM 887 CG PRO 56 -3.510 20.108 12.149 1.00 34.44 ATOM 888 HG1 PRO 56 -2.547 20.504 12.444 1.00 37.53 ATOM 889 HG2 PRO 56 -3.924 19.506 12.945 1.00 75.35 ATOM 890 CD PRO 56 -4.447 21.228 11.796 1.00 41.12 ATOM 891 HD1 PRO 56 -4.236 22.104 12.393 1.00 37.53 ATOM 892 HD2 PRO 56 -5.476 20.920 11.923 1.00 72.05 ATOM 893 C PRO 56 -4.675 19.616 8.758 1.00 25.24 ATOM 894 O PRO 56 -5.128 18.484 8.950 1.00 42.42 ATOM 895 N LEU 57 -5.040 20.362 7.717 1.00 24.41 ATOM 896 HN LEU 57 -4.652 21.256 7.613 1.00 37.53 ATOM 897 CA LEU 57 -5.997 19.881 6.718 1.00 1.53 ATOM 898 HA LEU 57 -6.756 19.310 7.232 1.00 20.10 ATOM 899 CB LEU 57 -6.664 21.068 6.001 1.00 62.23 ATOM 900 HB1 LEU 57 -7.356 20.674 5.269 1.00 37.53 ATOM 901 HB2 LEU 57 -5.897 21.627 5.477 1.00 54.23 ATOM 902 CG LEU 57 -7.432 22.037 6.911 1.00 43.02 ATOM 903 HG LEU 57 -6.749 22.455 7.638 1.00 61.34 ATOM 904 CD1 LEU 57 -8.009 23.191 6.097 1.00 22.43 ATOM 905 HD11 LEU 57 -8.556 23.855 6.749 1.00 64.01 ATOM 906 HD12 LEU 57 -8.675 22.804 5.339 1.00 64.33 ATOM 907 HD13 LEU 57 -7.205 23.736 5.624 1.00 23.55 ATOM 908 CD2 LEU 57 -8.538 21.306 7.668 1.00 11.05 ATOM 909 HD21 LEU 57 -9.048 22.000 8.321 1.00 2.43 ATOM 910 HD22 LEU 57 -8.105 20.512 8.260 1.00 45.52 ATOM 911 HD23 LEU 57 -9.244 20.887 6.965 1.00 33.44 ATOM 912 C LEU 57 -5.313 18.975 5.688 1.00 21.45 ATOM 913 O LEU 57 -4.206 19.260 5.230 1.00 31.43 ATOM 914 N THR 58 -5.970 17.873 5.338 1.00 22.11 ATOM 915 HN THR 58 -6.803 17.650 5.800 1.00 37.53 ATOM 916 CA THR 58 -5.468 16.985 4.284 1.00 4.10 ATOM 917 HA THR 58 -4.429 16.772 4.499 1.00 33.11 ATOM 918 CB THR 58 -6.240 15.642 4.236 1.00 64.20 ATOM 919 HB THR 58 -5.815 15.029 3.452 1.00 40.54 ATOM 920 OG1 THR 58 -7.629 15.867 3.946 1.00 63.41 ATOM 921 HG1 THR 58 -8.045 16.294 4.703 1.00 22.11 ATOM 922 CG2 THR 58 -6.118 14.886 5.555 1.00 51.21 ATOM 923 HG21 THR 58 -5.079 14.666 5.751 1.00 23.23 ATOM 924 HG22 THR 58 -6.675 13.962 5.492 1.00 61.55 ATOM 925 HG23 THR 58 -6.517 15.491 6.357 1.00 2.21 ATOM 926 C THR 58 -5.555 17.666 2.912 1.00 53.14 ATOM 927 O THR 58 -6.409 18.528 2.693 1.00 31.42 ATOM 928 N GLU 59 -4.677 17.268 1.993 1.00 25.45 ATOM 929 HN GLU 59 -4.099 16.502 2.197 1.00 37.53 ATOM 930 CA GLU 59 -4.545 17.925 0.681 1.00 31.53 ATOM 931 HA GLU 59 -4.110 18.901 0.855 1.00 43.11 ATOM 932 CB GLU 59 -3.585 17.117 -0.205 1.00 4.14 ATOM 933 HB1 GLU 59 -3.532 17.583 -1.180 1.00 37.53 ATOM 934 HB2 GLU 59 -3.970 16.111 -0.316 1.00 52.43 ATOM 935 CG GLU 59 -2.170 17.032 0.362 1.00 0.40 ATOM 936 HG1 GLU 59 -2.228 16.668 1.380 1.00 37.53 ATOM 937 HG2 GLU 59 -1.737 18.024 0.364 1.00 64.24 ATOM 938 CD GLU 59 -1.263 16.111 -0.437 1.00 40.53 ATOM 939 OE1 GLU 59 -0.824 15.073 0.104 1.00 21.32 ATOM 940 OE2 GLU 59 -0.994 16.410 -1.617 1.00 15.23 ATOM 941 C GLU 59 -5.902 18.117 -0.026 1.00 75.02 ATOM 942 O GLU 59 -6.155 19.162 -0.632 1.00 43.34 ATOM 943 N SER 60 -6.777 17.116 0.078 1.00 41.04 ATOM 944 HN SER 60 -6.518 16.309 0.573 1.00 37.53 ATOM 945 CA SER 60 -8.117 17.186 -0.532 1.00 30.44 ATOM 946 HA SER 60 -7.986 17.417 -1.580 1.00 64.23 ATOM 947 CB SER 60 -8.838 15.834 -0.412 1.00 54.02 ATOM 948 HB1 SER 60 -8.969 15.587 0.633 1.00 37.53 ATOM 949 HB2 SER 60 -8.244 15.066 -0.889 1.00 43.23 ATOM 950 OG SER 60 -10.115 15.874 -1.036 1.00 60.34 ATOM 951 HG SER 60 -10.036 15.551 -1.944 1.00 34.23 ATOM 952 C SER 60 -8.977 18.290 0.108 1.00 1.20 ATOM 953 O SER 60 -9.806 18.917 -0.558 1.00 1.21 ATOM 954 N GLN 61 -8.771 18.534 1.402 1.00 12.44 ATOM 955 HN GLN 61 -8.098 18.008 1.884 1.00 37.53 ATOM 956 CA GLN 61 -9.512 19.579 2.120 1.00 50.10 ATOM 957 HA GLN 61 -10.562 19.441 1.900 1.00 42.10 ATOM 958 CB GLN 61 -9.309 19.448 3.637 1.00 32.22 ATOM 959 HB1 GLN 61 -9.747 20.308 4.125 1.00 37.53 ATOM 960 HB2 GLN 61 -8.249 19.430 3.846 1.00 3.23 ATOM 961 CG GLN 61 -9.935 18.192 4.231 1.00 52.15 ATOM 962 HG1 GLN 61 -9.530 17.327 3.723 1.00 37.53 ATOM 963 HG2 GLN 61 -11.005 18.230 4.076 1.00 12.21 ATOM 964 CD GLN 61 -9.664 18.049 5.719 1.00 50.13 ATOM 965 OE1 GLN 61 -8.672 17.454 6.124 1.00 21.11 ATOM 966 NE2 GLN 61 -10.544 18.575 6.546 1.00 52.42 ATOM 967 HE21 GLN 61 -11.328 19.025 6.169 1.00 11.42 ATOM 968 HE22 GLN 61 -10.374 18.504 7.505 1.00 54.13 ATOM 969 C GLN 61 -9.103 20.983 1.647 1.00 40.10 ATOM 970 O GLN 61 -9.958 21.843 1.445 1.00 11.25 ATOM 971 N LEU 62 -7.798 21.209 1.461 1.00 70.44 ATOM 972 HN LEU 62 -7.153 20.501 1.679 1.00 37.53 ATOM 973 CA LEU 62 -7.315 22.496 0.932 1.00 35.22 ATOM 974 HA LEU 62 -7.642 23.271 1.614 1.00 13.25 ATOM 975 CB LEU 62 -5.778 22.538 0.834 1.00 1.44 ATOM 976 HB1 LEU 62 -5.503 23.413 0.260 1.00 37.53 ATOM 977 HB2 LEU 62 -5.452 21.662 0.287 1.00 74.44 ATOM 978 CG LEU 62 -5.012 22.586 2.172 1.00 12.21 ATOM 979 HG LEU 62 -5.510 23.279 2.837 1.00 43.53 ATOM 980 CD1 LEU 62 -5.012 21.226 2.856 1.00 2.01 ATOM 981 HD11 LEU 62 -4.541 20.495 2.214 1.00 61.45 ATOM 982 HD12 LEU 62 -6.030 20.924 3.056 1.00 73.54 ATOM 983 HD13 LEU 62 -4.468 21.289 3.788 1.00 44.41 ATOM 984 CD2 LEU 62 -3.583 23.091 1.959 1.00 62.40 ATOM 985 HD21 LEU 62 -3.614 24.076 1.515 1.00 42.53 ATOM 986 HD22 LEU 62 -3.052 22.417 1.300 1.00 25.43 ATOM 987 HD23 LEU 62 -3.072 23.143 2.909 1.00 64.32 ATOM 988 C LEU 62 -7.925 22.775 -0.450 1.00 72.22 ATOM 989 O LEU 62 -8.307 23.905 -0.757 1.00 5.22 ATOM 990 N ALA 63 -8.011 21.732 -1.274 1.00 22.14 ATOM 991 HN ALA 63 -7.613 20.878 -1.001 1.00 37.53 ATOM 992 CA ALA 63 -8.674 21.821 -2.578 1.00 1.42 ATOM 993 HA ALA 63 -8.138 22.546 -3.177 1.00 22.24 ATOM 994 CB ALA 63 -8.610 20.475 -3.291 1.00 64.23 ATOM 995 HB1 ALA 63 -9.077 20.557 -4.262 1.00 10.31 ATOM 996 HB2 ALA 63 -9.127 19.729 -2.702 1.00 21.30 ATOM 997 HB3 ALA 63 -7.577 20.180 -3.413 1.00 1.21 ATOM 998 C ALA 63 -10.133 22.282 -2.425 1.00 21.33 ATOM 999 O ALA 63 -10.601 23.154 -3.158 1.00 54.15 ATOM 1000 N LEU 64 -10.839 21.701 -1.453 1.00 11.11 ATOM 1001 HN LEU 64 -10.420 20.994 -0.916 1.00 37.53 ATOM 1002 CA LEU 64 -12.226 22.088 -1.169 1.00 33.42 ATOM 1003 HA LEU 64 -12.795 21.962 -2.080 1.00 1.22 ATOM 1004 CB LEU 64 -12.824 21.188 -0.082 1.00 31.53 ATOM 1005 HB1 LEU 64 -12.206 21.267 0.802 1.00 37.53 ATOM 1006 HB2 LEU 64 -12.790 20.166 -0.433 1.00 64.52 ATOM 1007 CG LEU 64 -14.274 21.519 0.311 1.00 35.11 ATOM 1008 HG LEU 64 -14.338 22.570 0.557 1.00 52.45 ATOM 1009 CD1 LEU 64 -15.226 21.258 -0.852 1.00 12.11 ATOM 1010 HD11 LEU 64 -15.182 20.214 -1.132 1.00 22.22 ATOM 1011 HD12 LEU 64 -14.939 21.868 -1.695 1.00 20.03 ATOM 1012 HD13 LEU 64 -16.234 21.509 -0.555 1.00 12.10 ATOM 1013 CD2 LEU 64 -14.693 20.727 1.544 1.00 42.24 ATOM 1014 HD21 LEU 64 -15.698 21.006 1.829 1.00 61.24 ATOM 1015 HD22 LEU 64 -14.016 20.941 2.358 1.00 5.34 ATOM 1016 HD23 LEU 64 -14.663 19.670 1.321 1.00 72.24 ATOM 1017 C LEU 64 -12.317 23.560 -0.729 1.00 64.31 ATOM 1018 O LEU 64 -13.163 24.307 -1.214 1.00 4.35 ATOM 1019 N VAL 65 -11.440 23.969 0.188 1.00 23.51 ATOM 1020 HN VAL 65 -10.792 23.326 0.545 1.00 37.53 ATOM 1021 CA VAL 65 -11.416 25.355 0.681 1.00 54.32 ATOM 1022 HA VAL 65 -12.366 25.551 1.161 1.00 41.44 ATOM 1023 CB VAL 65 -10.291 25.560 1.732 1.00 61.40 ATOM 1024 HB VAL 65 -9.341 25.347 1.257 1.00 60.20 ATOM 1025 CG1 VAL 65 -10.260 27.006 2.231 1.00 45.41 ATOM 1026 HG11 VAL 65 -11.209 27.250 2.688 1.00 43.52 ATOM 1027 HG12 VAL 65 -10.080 27.673 1.401 1.00 4.30 ATOM 1028 HG13 VAL 65 -9.471 27.121 2.961 1.00 14.20 ATOM 1029 CG2 VAL 65 -10.465 24.588 2.901 1.00 4.11 ATOM 1030 HG21 VAL 65 -11.401 24.788 3.403 1.00 72.41 ATOM 1031 HG22 VAL 65 -9.649 24.713 3.599 1.00 32.54 ATOM 1032 HG23 VAL 65 -10.466 23.573 2.530 1.00 21.42 ATOM 1033 C VAL 65 -11.231 26.352 -0.477 1.00 31.05 ATOM 1034 O VAL 65 -11.886 27.397 -0.527 1.00 45.13 ATOM 1035 N ARG 66 -10.346 26.010 -1.414 1.00 43.12 ATOM 1036 HN ARG 66 -9.820 25.189 -1.293 1.00 37.53 ATOM 1037 CA ARG 66 -10.134 26.822 -2.618 1.00 72.23 ATOM 1038 HA ARG 66 -9.901 27.829 -2.301 1.00 33.24 ATOM 1039 CB ARG 66 -8.951 26.270 -3.425 1.00 72.11 ATOM 1040 HB1 ARG 66 -8.856 26.840 -4.339 1.00 37.53 ATOM 1041 HB2 ARG 66 -9.152 25.236 -3.676 1.00 12.24 ATOM 1042 CG ARG 66 -7.619 26.336 -2.680 1.00 72.23 ATOM 1043 HG1 ARG 66 -7.732 25.859 -1.715 1.00 37.53 ATOM 1044 HG2 ARG 66 -7.350 27.373 -2.537 1.00 63.50 ATOM 1045 CD ARG 66 -6.498 25.642 -3.444 1.00 32.24 ATOM 1046 HD1 ARG 66 -6.380 26.126 -4.403 1.00 37.53 ATOM 1047 HD2 ARG 66 -6.766 24.605 -3.597 1.00 61.40 ATOM 1048 NE ARG 66 -5.227 25.710 -2.722 1.00 41.24 ATOM 1049 HE ARG 66 -4.894 26.596 -2.477 1.00 43.03 ATOM 1050 CZ ARG 66 -4.515 24.668 -2.394 1.00 23.25 ATOM 1051 NH1 ARG 66 -4.913 23.479 -2.710 1.00 31.22 ATOM 1052 HH11 ARG 66 -5.765 23.356 -3.206 1.00 55.10 ATOM 1053 HH12 ARG 66 -4.359 22.686 -2.459 1.00 55.23 ATOM 1054 NH2 ARG 66 -3.399 24.818 -1.759 1.00 22.45 ATOM 1055 HH21 ARG 66 -3.077 25.734 -1.519 1.00 65.14 ATOM 1056 HH22 ARG 66 -2.859 24.016 -1.507 1.00 35.31 ATOM 1057 C ARG 66 -11.402 26.857 -3.491 1.00 13.34 ATOM 1058 O ARG 66 -11.767 27.902 -4.038 1.00 15.55 ATOM 1059 N ASP 67 -12.070 25.707 -3.607 1.00 73.32 ATOM 1060 HN ASP 67 -11.703 24.901 -3.183 1.00 37.53 ATOM 1061 CA ASP 67 -13.331 25.608 -4.349 1.00 74.52 ATOM 1062 HA ASP 67 -13.147 25.956 -5.357 1.00 72.22 ATOM 1063 CB ASP 67 -13.795 24.144 -4.406 1.00 71.23 ATOM 1064 HB1 ASP 67 -14.026 23.807 -3.404 1.00 37.53 ATOM 1065 HB2 ASP 67 -12.996 23.534 -4.806 1.00 3.13 ATOM 1066 CG ASP 67 -15.025 23.951 -5.278 1.00 62.52 ATOM 1067 OD1 ASP 67 -16.126 23.731 -4.732 1.00 34.42 ATOM 1068 OD2 ASP 67 -14.892 24.024 -6.520 1.00 22.12 ATOM 1069 C ASP 67 -14.416 26.493 -3.712 1.00 41.43 ATOM 1070 O ASP 67 -15.127 27.214 -4.408 1.00 35.52 ATOM 1071 N ILE 68 -14.524 26.444 -2.382 1.00 1.12 ATOM 1072 HN ILE 68 -13.955 25.821 -1.886 1.00 37.53 ATOM 1073 CA ILE 68 -15.473 27.287 -1.645 1.00 44.21 ATOM 1074 HA ILE 68 -16.467 27.058 -2.007 1.00 1.35 ATOM 1075 CB ILE 68 -15.428 26.985 -0.122 1.00 54.44 ATOM 1076 HB ILE 68 -14.415 27.150 0.222 1.00 72.25 ATOM 1077 CG1 ILE 68 -15.814 25.520 0.149 1.00 13.10 ATOM 1078 HG11 ILE 68 -15.159 24.870 -0.416 1.00 37.53 ATOM 1079 HG12 ILE 68 -16.833 25.356 -0.170 1.00 44.02 ATOM 1080 CG2 ILE 68 -16.347 27.936 0.648 1.00 60.31 ATOM 1081 HG21 ILE 68 -16.025 28.955 0.491 1.00 72.41 ATOM 1082 HG22 ILE 68 -16.305 27.705 1.703 1.00 62.14 ATOM 1083 HG23 ILE 68 -17.363 27.822 0.296 1.00 13.12 ATOM 1084 CD1 ILE 68 -15.718 25.119 1.608 1.00 4.13 ATOM 1085 HD11 ILE 68 -14.712 25.292 1.965 1.00 45.21 ATOM 1086 HD12 ILE 68 -15.960 24.071 1.710 1.00 40.01 ATOM 1087 HD13 ILE 68 -16.413 25.706 2.192 1.00 61.44 ATOM 1088 C ILE 68 -15.189 28.781 -1.879 1.00 54.03 ATOM 1089 O ILE 68 -16.109 29.570 -2.125 1.00 31.03 ATOM 1090 N ARG 69 -13.910 29.163 -1.812 1.00 74.33 ATOM 1091 HN ARG 69 -13.227 28.500 -1.565 1.00 37.53 ATOM 1092 CA ARG 69 -13.501 30.543 -2.089 1.00 63.11 ATOM 1093 HA ARG 69 -14.009 31.185 -1.383 1.00 3.03 ATOM 1094 CB ARG 69 -11.983 30.706 -1.912 1.00 41.45 ATOM 1095 HB1 ARG 69 -11.480 30.147 -2.688 1.00 37.53 ATOM 1096 HB2 ARG 69 -11.699 30.303 -0.950 1.00 25.33 ATOM 1097 CG ARG 69 -11.514 32.155 -1.984 1.00 61.32 ATOM 1098 HG1 ARG 69 -12.000 32.719 -1.199 1.00 37.53 ATOM 1099 HG2 ARG 69 -11.794 32.565 -2.944 1.00 42.51 ATOM 1100 CD ARG 69 -10.001 32.282 -1.820 1.00 72.21 ATOM 1101 HD1 ARG 69 -9.516 31.751 -2.626 1.00 37.53 ATOM 1102 HD2 ARG 69 -9.714 31.841 -0.875 1.00 41.53 ATOM 1103 NE ARG 69 -9.573 33.680 -1.839 1.00 74.32 ATOM 1104 HE ARG 69 -10.176 34.337 -1.441 1.00 71.21 ATOM 1105 CZ ARG 69 -8.453 34.109 -2.358 1.00 63.25 ATOM 1106 NH1 ARG 69 -7.596 33.280 -2.864 1.00 43.52 ATOM 1107 HH11 ARG 69 -7.783 32.305 -2.858 1.00 73.41 ATOM 1108 HH12 ARG 69 -6.747 33.626 -3.267 1.00 21.33 ATOM 1109 NH2 ARG 69 -8.188 35.375 -2.356 1.00 40.14 ATOM 1110 HH21 ARG 69 -8.835 36.018 -1.956 1.00 72.40 ATOM 1111 HH22 ARG 69 -7.336 35.708 -2.763 1.00 10.51 ATOM 1112 C ARG 69 -13.911 30.951 -3.512 1.00 74.12 ATOM 1113 O ARG 69 -14.366 32.073 -3.745 1.00 52.21 ATOM 1114 N ARG 70 -13.747 30.025 -4.457 1.00 54.42 ATOM 1115 HN ARG 70 -13.310 29.178 -4.218 1.00 37.53 ATOM 1116 CA ARG 70 -14.195 30.228 -5.840 1.00 61.43 ATOM 1117 HA ARG 70 -13.727 31.132 -6.207 1.00 63.03 ATOM 1118 CB ARG 70 -13.756 29.044 -6.725 1.00 44.23 ATOM 1119 HB1 ARG 70 -14.017 28.122 -6.224 1.00 37.53 ATOM 1120 HB2 ARG 70 -12.682 29.081 -6.845 1.00 14.31 ATOM 1121 CG ARG 70 -14.393 29.027 -8.119 1.00 11.13 ATOM 1122 HG1 ARG 70 -15.468 28.976 -8.010 1.00 37.53 ATOM 1123 HG2 ARG 70 -14.046 28.152 -8.650 1.00 70.14 ATOM 1124 CD ARG 70 -14.035 30.266 -8.934 1.00 53.34 ATOM 1125 HD1 ARG 70 -12.982 30.229 -9.178 1.00 37.53 ATOM 1126 HD2 ARG 70 -14.235 31.144 -8.339 1.00 32.31 ATOM 1127 NE ARG 70 -14.806 30.352 -10.173 1.00 12.03 ATOM 1128 HE ARG 70 -15.472 29.654 -10.341 1.00 13.04 ATOM 1129 CZ ARG 70 -14.673 31.306 -11.055 1.00 44.35 ATOM 1130 NH1 ARG 70 -13.778 32.231 -10.894 1.00 22.22 ATOM 1131 HH11 ARG 70 -13.187 32.214 -10.098 1.00 12.32 ATOM 1132 HH12 ARG 70 -13.684 32.956 -11.574 1.00 3.30 ATOM 1133 NH2 ARG 70 -15.423 31.322 -12.110 1.00 70.12 ATOM 1134 HH21 ARG 70 -16.099 30.602 -12.250 1.00 41.23 ATOM 1135 HH22 ARG 70 -15.329 32.055 -12.781 1.00 32.41 ATOM 1136 C ARG 70 -15.722 30.399 -5.911 1.00 71.32 ATOM 1137 O ARG 70 -16.220 31.323 -6.551 1.00 45.23 ATOM 1138 N ARG 71 -16.452 29.505 -5.246 1.00 64.11 ATOM 1139 HN ARG 71 -15.992 28.808 -4.734 1.00 37.53 ATOM 1140 CA ARG 71 -17.922 29.523 -5.257 1.00 0.04 ATOM 1141 HA ARG 71 -18.240 29.411 -6.285 1.00 11.44 ATOM 1142 CB ARG 71 -18.464 28.339 -4.443 1.00 63.21 ATOM 1143 HB1 ARG 71 -19.537 28.440 -4.349 1.00 37.53 ATOM 1144 HB2 ARG 71 -18.023 28.363 -3.456 1.00 14.02 ATOM 1145 CG ARG 71 -18.165 26.978 -5.073 1.00 23.45 ATOM 1146 HG1 ARG 71 -17.098 26.890 -5.225 1.00 37.53 ATOM 1147 HG2 ARG 71 -18.668 26.918 -6.027 1.00 31.45 ATOM 1148 CD ARG 71 -18.637 25.822 -4.195 1.00 13.24 ATOM 1149 HD1 ARG 71 -18.026 25.788 -3.304 1.00 37.53 ATOM 1150 HD2 ARG 71 -18.522 24.898 -4.744 1.00 45.40 ATOM 1151 NE ARG 71 -20.037 25.976 -3.803 1.00 21.11 ATOM 1152 HE ARG 71 -20.254 26.719 -3.209 1.00 12.42 ATOM 1153 CZ ARG 71 -21.010 25.198 -4.191 1.00 44.11 ATOM 1154 NH1 ARG 71 -20.778 24.186 -4.964 1.00 44.10 ATOM 1155 HH11 ARG 71 -19.849 23.993 -5.267 1.00 31.54 ATOM 1156 HH12 ARG 71 -21.530 23.600 -5.258 1.00 34.03 ATOM 1157 NH2 ARG 71 -22.217 25.436 -3.789 1.00 53.31 ATOM 1158 HH21 ARG 71 -22.394 26.209 -3.179 1.00 35.52 ATOM 1159 HH22 ARG 71 -22.972 24.866 -4.100 1.00 74.32 ATOM 1160 C ARG 71 -18.489 30.849 -4.714 1.00 54.44 ATOM 1161 O ARG 71 -19.477 31.368 -5.236 1.00 35.25 ATOM 1162 N GLY 72 -17.866 31.382 -3.666 1.00 75.24 ATOM 1163 HN GLY 72 -17.129 30.886 -3.244 1.00 37.53 ATOM 1164 CA GLY 72 -18.271 32.678 -3.127 1.00 34.45 ATOM 1165 HA1 GLY 72 -17.824 32.803 -2.152 1.00 37.53 ATOM 1166 HA2 GLY 72 -19.347 32.693 -3.018 1.00 21.32 ATOM 1167 C GLY 72 -17.846 33.847 -4.015 1.00 43.04 ATOM 1168 O GLY 72 -18.652 34.720 -4.342 1.00 41.12 ATOM 1169 N LYS 73 -16.574 33.856 -4.416 1.00 65.43 ATOM 1170 HN LYS 73 -15.974 33.140 -4.111 1.00 37.53 ATOM 1171 CA LYS 73 -16.040 34.907 -5.296 1.00 4.01 ATOM 1172 HA LYS 73 -16.204 35.857 -4.807 1.00 24.42 ATOM 1173 CB LYS 73 -14.529 34.707 -5.500 1.00 25.31 ATOM 1174 HB1 LYS 73 -14.366 33.743 -5.960 1.00 37.53 ATOM 1175 HB2 LYS 73 -14.048 34.717 -4.532 1.00 32.51 ATOM 1176 CG LYS 73 -13.867 35.773 -6.373 1.00 40.30 ATOM 1177 HG1 LYS 73 -14.050 36.746 -5.938 1.00 37.53 ATOM 1178 HG2 LYS 73 -14.304 35.734 -7.361 1.00 0.23 ATOM 1179 CD LYS 73 -12.357 35.558 -6.497 1.00 14.53 ATOM 1180 HD1 LYS 73 -11.960 36.277 -7.201 1.00 37.53 ATOM 1181 HD2 LYS 73 -12.175 34.559 -6.866 1.00 32.13 ATOM 1182 CE LYS 73 -11.640 35.729 -5.160 1.00 40.15 ATOM 1183 HE1 LYS 73 -10.587 35.534 -5.304 1.00 37.53 ATOM 1184 HE2 LYS 73 -12.042 35.017 -4.455 1.00 72.53 ATOM 1185 NZ LYS 73 -11.806 37.100 -4.609 1.00 70.32 ATOM 1186 HZ1 LYS 73 -11.469 37.805 -5.294 1.00 61.10 ATOM 1187 HZ2 LYS 73 -11.261 37.202 -3.730 1.00 41.34 ATOM 1188 HZ3 LYS 73 -12.808 37.285 -4.401 1.00 70.31 ATOM 1189 C LYS 73 -16.766 34.923 -6.655 1.00 3.15 ATOM 1190 O LYS 73 -16.840 35.958 -7.325 1.00 21.24 ATOM 1191 N ASN 74 -17.306 33.771 -7.053 1.00 42.33 ATOM 1192 HN ASN 74 -17.176 32.971 -6.501 1.00 37.53 ATOM 1193 CA ASN 74 -18.079 33.659 -8.293 1.00 64.12 ATOM 1194 HA ASN 74 -17.457 34.013 -9.105 1.00 3.24 ATOM 1195 CB ASN 74 -18.455 32.194 -8.549 1.00 65.33 ATOM 1196 HB1 ASN 74 -19.213 31.892 -7.840 1.00 37.53 ATOM 1197 HB2 ASN 74 -17.579 31.577 -8.410 1.00 42.50 ATOM 1198 CG ASN 74 -18.985 31.960 -9.953 1.00 73.12 ATOM 1199 OD1 ASN 74 -18.234 31.625 -10.865 1.00 14.14 ATOM 1200 ND2 ASN 74 -20.277 32.129 -10.142 1.00 52.52 ATOM 1201 HD21 ASN 74 -20.830 32.393 -9.377 1.00 61.24 ATOM 1202 HD22 ASN 74 -20.631 31.985 -11.042 1.00 31.20 ATOM 1203 C ASN 74 -19.345 34.531 -8.217 1.00 2.11 ATOM 1204 O ASN 74 -19.733 35.169 -9.194 1.00 63.13 ATOM 1205 N LYS 75 -19.975 34.561 -7.040 1.00 14.51 ATOM 1206 HN LYS 75 -19.647 33.992 -6.310 1.00 37.53 ATOM 1207 CA LYS 75 -21.139 35.426 -6.804 1.00 43.23 ATOM 1208 HA LYS 75 -21.867 35.215 -7.577 1.00 73.24 ATOM 1209 CB LYS 75 -21.764 35.125 -5.432 1.00 50.12 ATOM 1210 HB1 LYS 75 -21.011 35.271 -4.668 1.00 37.53 ATOM 1211 HB2 LYS 75 -22.082 34.092 -5.415 1.00 63.42 ATOM 1212 CG LYS 75 -22.971 36.002 -5.091 1.00 55.22 ATOM 1213 HG1 LYS 75 -23.683 35.947 -5.905 1.00 37.53 ATOM 1214 HG2 LYS 75 -22.639 37.024 -4.975 1.00 13.44 ATOM 1215 CD LYS 75 -23.659 35.559 -3.801 1.00 72.15 ATOM 1216 HD1 LYS 75 -23.974 34.531 -3.910 1.00 37.53 ATOM 1217 HD2 LYS 75 -24.527 36.182 -3.637 1.00 3.32 ATOM 1218 CE LYS 75 -22.741 35.669 -2.585 1.00 43.34 ATOM 1219 HE1 LYS 75 -22.448 36.702 -2.459 1.00 37.53 ATOM 1220 HE2 LYS 75 -21.862 35.065 -2.755 1.00 13.14 ATOM 1221 NZ LYS 75 -23.410 35.202 -1.340 1.00 5.21 ATOM 1222 HZ1 LYS 75 -22.749 35.250 -0.538 1.00 43.41 ATOM 1223 HZ2 LYS 75 -23.733 34.220 -1.449 1.00 62.20 ATOM 1224 HZ3 LYS 75 -24.234 35.803 -1.130 1.00 71.44 ATOM 1225 C LYS 75 -20.739 36.909 -6.892 1.00 40.54 ATOM 1226 O LYS 75 -21.447 37.723 -7.488 1.00 62.11 ATOM 1227 N VAL 76 -19.592 37.247 -6.300 1.00 12.53 ATOM 1228 HN VAL 76 -19.099 36.566 -5.794 1.00 37.53 ATOM 1229 CA VAL 76 -19.044 38.608 -6.380 1.00 64.44 ATOM 1230 HA VAL 76 -19.765 39.284 -5.939 1.00 20.41 ATOM 1231 CB VAL 76 -17.715 38.722 -5.590 1.00 10.11 ATOM 1232 HB VAL 76 -16.991 38.069 -6.059 1.00 2.32 ATOM 1233 CG1 VAL 76 -17.163 40.149 -5.636 1.00 52.31 ATOM 1234 HG11 VAL 76 -17.882 40.831 -5.203 1.00 3.21 ATOM 1235 HG12 VAL 76 -16.978 40.429 -6.663 1.00 64.12 ATOM 1236 HG13 VAL 76 -16.238 40.198 -5.080 1.00 33.15 ATOM 1237 CG2 VAL 76 -17.906 38.251 -4.147 1.00 11.30 ATOM 1238 HG21 VAL 76 -18.633 38.880 -3.651 1.00 44.23 ATOM 1239 HG22 VAL 76 -16.964 38.305 -3.621 1.00 13.13 ATOM 1240 HG23 VAL 76 -18.259 37.229 -4.146 1.00 63.23 ATOM 1241 C VAL 76 -18.810 39.018 -7.845 1.00 62.54 ATOM 1242 O VAL 76 -18.985 40.178 -8.220 1.00 60.51 ATOM 1243 N ALA 77 -18.424 38.050 -8.672 1.00 72.43 ATOM 1244 HN ALA 77 -18.230 37.161 -8.305 1.00 37.53 ATOM 1245 CA ALA 77 -18.273 38.277 -10.111 1.00 72.31 ATOM 1246 HA ALA 77 -17.755 39.218 -10.247 1.00 14.34 ATOM 1247 CB ALA 77 -17.423 37.175 -10.735 1.00 4.22 ATOM 1248 HB1 ALA 77 -17.927 36.225 -10.627 1.00 24.35 ATOM 1249 HB2 ALA 77 -16.463 37.131 -10.237 1.00 41.44 ATOM 1250 HB3 ALA 77 -17.272 37.383 -11.785 1.00 65.21 ATOM 1251 C ALA 77 -19.643 38.356 -10.810 1.00 32.43 ATOM 1252 O ALA 77 -19.837 39.155 -11.728 1.00 61.03 ATOM 1253 N ALA 78 -20.590 37.532 -10.357 1.00 64.14 ATOM 1254 HN ALA 78 -20.375 36.929 -9.615 1.00 37.53 ATOM 1255 CA ALA 78 -21.943 37.489 -10.933 1.00 42.40 ATOM 1256 HA ALA 78 -21.846 37.233 -11.981 1.00 24.12 ATOM 1257 CB ALA 78 -22.763 36.394 -10.258 1.00 40.23 ATOM 1258 HB1 ALA 78 -22.242 35.451 -10.339 1.00 54.33 ATOM 1259 HB2 ALA 78 -23.727 36.313 -10.738 1.00 53.24 ATOM 1260 HB3 ALA 78 -22.901 36.639 -9.213 1.00 0.31 ATOM 1261 C ALA 78 -22.667 38.842 -10.821 1.00 24.20 ATOM 1262 O ALA 78 -23.390 39.248 -11.732 1.00 75.33 ATOM 1263 N GLN 79 -22.464 39.542 -9.704 1.00 54.43 ATOM 1264 HN GLN 79 -21.908 39.155 -8.992 1.00 37.53 ATOM 1265 CA GLN 79 -23.074 40.865 -9.505 1.00 21.10 ATOM 1266 HA GLN 79 -24.097 40.803 -9.856 1.00 4.00 ATOM 1267 CB GLN 79 -23.100 41.226 -8.012 1.00 61.03 ATOM 1268 HB1 GLN 79 -23.700 40.493 -7.491 1.00 37.53 ATOM 1269 HB2 GLN 79 -23.563 42.197 -7.896 1.00 45.33 ATOM 1270 CG GLN 79 -21.730 41.276 -7.351 1.00 45.44 ATOM 1271 HG1 GLN 79 -21.152 42.066 -7.810 1.00 37.53 ATOM 1272 HG2 GLN 79 -21.231 40.329 -7.507 1.00 54.21 ATOM 1273 CD GLN 79 -21.814 41.530 -5.855 1.00 12.13 ATOM 1274 OE1 GLN 79 -22.780 41.146 -5.197 1.00 23.31 ATOM 1275 NE2 GLN 79 -20.817 42.194 -5.308 1.00 1.22 ATOM 1276 HE21 GLN 79 -20.082 42.486 -5.887 1.00 22.14 ATOM 1277 HE22 GLN 79 -20.852 42.366 -4.347 1.00 14.24 ATOM 1278 C GLN 79 -22.358 41.958 -10.322 1.00 4.40 ATOM 1279 O GLN 79 -22.719 43.132 -10.256 1.00 24.20 ATOM 1280 N ASN 80 -21.343 41.559 -11.093 1.00 61.51 ATOM 1281 HN ASN 80 -21.029 40.633 -11.014 1.00 37.53 ATOM 1282 CA ASN 80 -20.671 42.454 -12.050 1.00 20.53 ATOM 1283 HA ASN 80 -21.202 43.397 -12.064 1.00 21.21 ATOM 1284 CB ASN 80 -19.214 42.700 -11.628 1.00 53.25 ATOM 1285 HB1 ASN 80 -18.713 43.269 -12.400 1.00 37.53 ATOM 1286 HB2 ASN 80 -18.716 41.749 -11.513 1.00 20.01 ATOM 1287 CG ASN 80 -19.096 43.462 -10.321 1.00 13.12 ATOM 1288 OD1 ASN 80 -19.042 44.688 -10.304 1.00 3.50 ATOM 1289 ND2 ASN 80 -19.043 42.746 -9.217 1.00 21.24 ATOM 1290 HD21 ASN 80 -19.080 41.770 -9.293 1.00 4.20 ATOM 1291 HD22 ASN 80 -18.967 43.220 -8.364 1.00 31.12 ATOM 1292 C ASN 80 -20.704 41.850 -13.467 1.00 62.44 ATOM 1293 O ASN 80 -19.964 42.276 -14.357 1.00 22.33 ATOM 1294 N TYR 81 -21.582 40.868 -13.666 1.00 12.21 ATOM 1295 HN TYR 81 -22.216 40.651 -12.950 1.00 37.53 ATOM 1296 CA TYR 81 -21.647 40.109 -14.922 1.00 74.01 ATOM 1297 HA TYR 81 -20.673 40.155 -15.387 1.00 33.14 ATOM 1298 CB TYR 81 -21.973 38.640 -14.607 1.00 74.21 ATOM 1299 HB1 TYR 81 -22.942 38.591 -14.125 1.00 37.53 ATOM 1300 HB2 TYR 81 -21.227 38.254 -13.928 1.00 2.30 ATOM 1301 CG TYR 81 -22.006 37.728 -15.819 1.00 11.42 ATOM 1302 CD1 TYR 81 -20.840 37.416 -16.508 1.00 71.44 ATOM 1303 HD1 TYR 81 -19.902 37.836 -16.174 1.00 51.00 ATOM 1304 CD2 TYR 81 -23.202 37.175 -16.269 1.00 52.13 ATOM 1305 HD2 TYR 81 -24.119 37.406 -15.744 1.00 31.43 ATOM 1306 CE1 TYR 81 -20.863 36.581 -17.608 1.00 65.12 ATOM 1307 HE1 TYR 81 -19.946 36.350 -18.130 1.00 63.11 ATOM 1308 CE2 TYR 81 -23.232 36.340 -17.367 1.00 34.15 ATOM 1309 HE2 TYR 81 -24.170 35.920 -17.701 1.00 31.32 ATOM 1310 CZ TYR 81 -22.061 36.048 -18.035 1.00 71.54 ATOM 1311 OH TYR 81 -22.089 35.222 -19.135 1.00 15.43 ATOM 1312 HH TYR 81 -22.809 35.500 -19.721 1.00 53.24 ATOM 1313 C TYR 81 -22.687 40.693 -15.900 1.00 13.43 ATOM 1314 O TYR 81 -23.709 41.244 -15.488 1.00 24.13 ATOM 1315 N ARG 82 -22.411 40.556 -17.201 1.00 23.32 ATOM 1316 HN ARG 82 -21.581 40.110 -17.460 1.00 37.53 ATOM 1317 CA ARG 82 -23.310 41.056 -18.256 1.00 14.33 ATOM 1318 HA ARG 82 -23.623 42.053 -17.977 1.00 4.13 ATOM 1319 CB ARG 82 -22.561 41.127 -19.598 1.00 60.45 ATOM 1320 HB1 ARG 82 -23.250 41.454 -20.365 1.00 37.53 ATOM 1321 HB2 ARG 82 -22.203 40.138 -19.850 1.00 73.21 ATOM 1322 CG ARG 82 -21.368 42.076 -19.595 1.00 71.54 ATOM 1323 HG1 ARG 82 -20.690 41.784 -18.806 1.00 37.53 ATOM 1324 HG2 ARG 82 -21.720 43.082 -19.413 1.00 31.42 ATOM 1325 CD ARG 82 -20.622 42.046 -20.928 1.00 35.15 ATOM 1326 HD1 ARG 82 -19.795 42.739 -20.880 1.00 37.53 ATOM 1327 HD2 ARG 82 -21.300 42.348 -21.713 1.00 21.13 ATOM 1328 NE ARG 82 -20.106 40.709 -21.229 1.00 55.44 ATOM 1329 HE ARG 82 -19.992 40.090 -20.479 1.00 53.41 ATOM 1330 CZ ARG 82 -19.808 40.280 -22.426 1.00 64.01 ATOM 1331 NH1 ARG 82 -19.900 41.058 -23.457 1.00 62.41 ATOM 1332 HH11 ARG 82 -20.197 42.003 -23.347 1.00 12.41 ATOM 1333 HH12 ARG 82 -19.682 40.707 -24.365 1.00 61.35 ATOM 1334 NH2 ARG 82 -19.399 39.067 -22.583 1.00 65.03 ATOM 1335 HH21 ARG 82 -19.316 38.466 -21.791 1.00 44.12 ATOM 1336 HH22 ARG 82 -19.157 38.735 -23.492 1.00 74.30 ATOM 1337 C ARG 82 -24.558 40.167 -18.411 1.00 64.42 ATOM 1338 O ARG 82 -24.448 38.966 -18.660 1.00 14.15 ATOM 1339 N LYS 83 -25.740 40.769 -18.285 1.00 73.44 ATOM 1340 HN LYS 83 -25.763 41.736 -18.125 1.00 37.53 ATOM 1341 CA LYS 83 -27.011 40.034 -18.380 1.00 50.30 ATOM 1342 HA LYS 83 -26.824 39.008 -18.091 1.00 53.34 ATOM 1343 CB LYS 83 -28.020 40.650 -17.398 1.00 70.23 ATOM 1344 HB1 LYS 83 -28.192 41.682 -17.679 1.00 37.53 ATOM 1345 HB2 LYS 83 -27.588 40.628 -16.408 1.00 3.03 ATOM 1346 CG LYS 83 -29.370 39.938 -17.341 1.00 21.14 ATOM 1347 HG1 LYS 83 -29.202 38.873 -17.245 1.00 37.53 ATOM 1348 HG2 LYS 83 -29.911 40.135 -18.256 1.00 30.21 ATOM 1349 CD LYS 83 -30.209 40.416 -16.154 1.00 63.34 ATOM 1350 HD1 LYS 83 -29.690 40.168 -15.238 1.00 37.53 ATOM 1351 HD2 LYS 83 -31.162 39.905 -16.173 1.00 22.00 ATOM 1352 CE LYS 83 -30.460 41.922 -16.189 1.00 25.35 ATOM 1353 HE1 LYS 83 -29.511 42.432 -16.273 1.00 37.53 ATOM 1354 HE2 LYS 83 -30.939 42.216 -15.266 1.00 51.25 ATOM 1355 NZ LYS 83 -31.328 42.320 -17.330 1.00 73.44 ATOM 1356 HZ1 LYS 83 -32.294 41.970 -17.184 1.00 34.23 ATOM 1357 HZ2 LYS 83 -30.964 41.924 -18.218 1.00 42.03 ATOM 1358 HZ3 LYS 83 -31.358 43.358 -17.416 1.00 1.02 ATOM 1359 C LYS 83 -27.561 40.048 -19.820 1.00 44.35 ATOM 1360 O LYS 83 -27.491 41.065 -20.514 1.00 51.43 ATOM 1361 N ARG 84 -28.102 38.911 -20.266 1.00 13.21 ATOM 1362 HN ARG 84 -28.181 38.148 -19.653 1.00 37.53 ATOM 1363 CA ARG 84 -28.581 38.768 -21.650 1.00 73.33 ATOM 1364 HA ARG 84 -27.930 39.358 -22.279 1.00 34.05 ATOM 1365 CB ARG 84 -28.489 37.297 -22.103 1.00 51.12 ATOM 1366 HB1 ARG 84 -28.948 36.670 -21.350 1.00 37.53 ATOM 1367 HB2 ARG 84 -27.446 37.026 -22.196 1.00 4.41 ATOM 1368 CG ARG 84 -29.180 37.027 -23.442 1.00 75.02 ATOM 1369 HG1 ARG 84 -28.711 37.636 -24.204 1.00 37.53 ATOM 1370 HG2 ARG 84 -30.220 37.306 -23.357 1.00 0.35 ATOM 1371 CD ARG 84 -29.106 35.563 -23.866 1.00 53.11 ATOM 1372 HD1 ARG 84 -29.762 35.415 -24.713 1.00 37.53 ATOM 1373 HD2 ARG 84 -29.444 34.949 -23.043 1.00 70.34 ATOM 1374 NE ARG 84 -27.752 35.155 -24.233 1.00 31.11 ATOM 1375 HE ARG 84 -27.154 34.869 -23.514 1.00 33.43 ATOM 1376 CZ ARG 84 -27.303 35.129 -25.460 1.00 54.20 ATOM 1377 NH1 ARG 84 -28.045 35.515 -26.446 1.00 21.30 ATOM 1378 HH11 ARG 84 -28.970 35.839 -26.278 1.00 35.41 ATOM 1379 HH12 ARG 84 -27.684 35.489 -27.378 1.00 4.53 ATOM 1380 NH2 ARG 84 -26.103 34.723 -25.698 1.00 73.31 ATOM 1381 HH21 ARG 84 -25.519 34.430 -24.944 1.00 4.10 ATOM 1382 HH22 ARG 84 -25.763 34.704 -26.639 1.00 71.50 ATOM 1383 C ARG 84 -30.025 39.270 -21.842 1.00 3.20 ATOM 1384 O ARG 84 -30.878 39.137 -20.963 1.00 53.33 ATOM 1385 N LYS 85 -30.273 39.859 -23.009 1.00 23.44 ATOM 1386 HN LYS 85 -29.515 40.079 -23.592 1.00 37.53 ATOM 1387 CA LYS 85 -31.626 40.199 -23.461 1.00 13.32 ATOM 1388 HA LYS 85 -32.206 40.499 -22.599 1.00 41.42 ATOM 1389 CB LYS 85 -31.552 41.371 -24.458 1.00 74.14 ATOM 1390 HB1 LYS 85 -30.743 41.179 -25.151 1.00 37.53 ATOM 1391 HB2 LYS 85 -31.331 42.276 -23.912 1.00 21.34 ATOM 1392 CG LYS 85 -32.827 41.608 -25.271 1.00 4.33 ATOM 1393 HG1 LYS 85 -33.072 40.701 -25.807 1.00 37.53 ATOM 1394 HG2 LYS 85 -32.642 42.401 -25.981 1.00 71.24 ATOM 1395 CD LYS 85 -34.016 42.004 -24.398 1.00 54.33 ATOM 1396 HD1 LYS 85 -33.787 42.931 -23.891 1.00 37.53 ATOM 1397 HD2 LYS 85 -34.193 41.227 -23.667 1.00 53.01 ATOM 1398 CE LYS 85 -35.279 42.195 -25.229 1.00 61.34 ATOM 1399 HE1 LYS 85 -35.524 41.259 -25.712 1.00 37.53 ATOM 1400 HE2 LYS 85 -35.093 42.950 -25.981 1.00 12.03 ATOM 1401 NZ LYS 85 -36.434 42.626 -24.397 1.00 32.43 ATOM 1402 HZ1 LYS 85 -37.250 42.842 -25.004 1.00 54.23 ATOM 1403 HZ2 LYS 85 -36.187 43.478 -23.853 1.00 23.52 ATOM 1404 HZ3 LYS 85 -36.702 41.873 -23.732 1.00 24.52 ATOM 1405 C LYS 85 -32.292 38.977 -24.122 1.00 64.15 ATOM 1406 O LYS 85 -31.717 38.360 -25.023 1.00 75.44 ATOM 1407 N LEU 86 -33.499 38.629 -23.676 1.00 53.22 ATOM 1408 HN LEU 86 -33.912 39.153 -22.957 1.00 37.53 ATOM 1409 CA LEU 86 -34.223 37.479 -24.234 1.00 71.03 ATOM 1410 HA LEU 86 -33.548 36.637 -24.207 1.00 74.24 ATOM 1411 CB LEU 86 -35.456 37.134 -23.379 1.00 61.22 ATOM 1412 HB1 LEU 86 -36.157 36.591 -23.996 1.00 37.53 ATOM 1413 HB2 LEU 86 -35.923 38.060 -23.071 1.00 62.23 ATOM 1414 CG LEU 86 -35.175 36.290 -22.117 1.00 11.23 ATOM 1415 HG LEU 86 -36.104 36.143 -21.581 1.00 75.41 ATOM 1416 CD1 LEU 86 -34.639 34.908 -22.498 1.00 11.23 ATOM 1417 HD11 LEU 86 -34.433 34.340 -21.601 1.00 13.13 ATOM 1418 HD12 LEU 86 -33.728 35.017 -23.070 1.00 35.14 ATOM 1419 HD13 LEU 86 -35.375 34.384 -23.092 1.00 50.03 ATOM 1420 CD2 LEU 86 -34.201 37.006 -21.177 1.00 24.25 ATOM 1421 HD21 LEU 86 -34.612 37.963 -20.891 1.00 60.30 ATOM 1422 HD22 LEU 86 -33.255 37.157 -21.677 1.00 11.21 ATOM 1423 HD23 LEU 86 -34.047 36.404 -20.293 1.00 52.31 ATOM 1424 C LEU 86 -34.627 37.712 -25.699 1.00 1.32 ATOM 1425 O LEU 86 -35.725 38.188 -25.996 1.00 1.44 ATOM 1426 N GLU 87 -33.707 37.399 -26.604 1.00 32.52 ATOM 1427 HN GLU 87 -32.821 37.112 -26.295 1.00 37.53 ATOM 1428 CA GLU 87 -33.959 37.490 -28.045 1.00 61.24 ATOM 1429 HA GLU 87 -34.602 38.343 -28.214 1.00 3.55 ATOM 1430 CB GLU 87 -32.632 37.717 -28.796 1.00 24.31 ATOM 1431 HB1 GLU 87 -32.245 38.688 -28.522 1.00 37.53 ATOM 1432 HB2 GLU 87 -32.825 37.706 -29.859 1.00 74.23 ATOM 1433 CG GLU 87 -31.557 36.673 -28.493 1.00 61.43 ATOM 1434 HG1 GLU 87 -31.901 35.710 -28.847 1.00 37.53 ATOM 1435 HG2 GLU 87 -31.415 36.626 -27.422 1.00 62.13 ATOM 1436 CD GLU 87 -30.217 36.985 -29.149 1.00 4.13 ATOM 1437 OE1 GLU 87 -30.050 36.694 -30.358 1.00 2.34 ATOM 1438 OE2 GLU 87 -29.318 37.505 -28.453 1.00 60.31 ATOM 1439 C GLU 87 -34.678 36.228 -28.558 1.00 64.43 ATOM 1440 O GLU 87 -34.063 35.178 -28.770 1.00 21.35 ATOM 1441 N THR 88 -35.993 36.329 -28.731 1.00 3.43 ATOM 1442 HN THR 88 -36.431 37.190 -28.556 1.00 37.53 ATOM 1443 CA THR 88 -36.803 35.189 -29.178 1.00 2.35 ATOM 1444 HA THR 88 -36.365 34.289 -28.761 1.00 22.25 ATOM 1445 CB THR 88 -38.266 35.285 -28.673 1.00 2.20 ATOM 1446 HB THR 88 -38.813 34.429 -29.044 1.00 41.33 ATOM 1447 OG1 THR 88 -38.900 36.484 -29.158 1.00 51.33 ATOM 1448 HG1 THR 88 -38.292 36.963 -29.738 1.00 52.43 ATOM 1449 CG2 THR 88 -38.319 35.266 -27.148 1.00 71.52 ATOM 1450 HG21 THR 88 -37.895 34.342 -26.784 1.00 23.41 ATOM 1451 HG22 THR 88 -39.347 35.338 -26.822 1.00 51.22 ATOM 1452 HG23 THR 88 -37.758 36.100 -26.753 1.00 51.53 ATOM 1453 C THR 88 -36.806 35.068 -30.707 1.00 24.25 ATOM 1454 O THR 88 -37.578 35.735 -31.396 1.00 4.10 ATOM 1455 N ILE 89 -35.925 34.221 -31.230 1.00 13.03 ATOM 1456 HN ILE 89 -35.340 33.713 -30.628 1.00 37.53 ATOM 1457 CA ILE 89 -35.799 34.025 -32.678 1.00 22.45 ATOM 1458 HA ILE 89 -35.808 35.000 -33.149 1.00 71.24 ATOM 1459 CB ILE 89 -34.460 33.327 -33.029 1.00 23.15 ATOM 1460 HB ILE 89 -34.471 32.342 -32.584 1.00 53.43 ATOM 1461 CG1 ILE 89 -33.274 34.121 -32.451 1.00 20.41 ATOM 1462 HG11 ILE 89 -33.415 34.240 -31.386 1.00 37.53 ATOM 1463 HG12 ILE 89 -33.239 35.098 -32.913 1.00 65.33 ATOM 1464 CG2 ILE 89 -34.314 33.158 -34.543 1.00 4.40 ATOM 1465 HG21 ILE 89 -33.378 32.664 -34.763 1.00 5.45 ATOM 1466 HG22 ILE 89 -34.327 34.129 -35.020 1.00 31.04 ATOM 1467 HG23 ILE 89 -35.132 32.562 -34.922 1.00 41.21 ATOM 1468 CD1 ILE 89 -31.928 33.461 -32.669 1.00 10.13 ATOM 1469 HD11 ILE 89 -31.737 33.369 -33.728 1.00 44.31 ATOM 1470 HD12 ILE 89 -31.929 32.479 -32.217 1.00 45.44 ATOM 1471 HD13 ILE 89 -31.156 34.064 -32.215 1.00 32.13 ATOM 1472 C ILE 89 -36.967 33.194 -33.234 1.00 30.51 ATOM 1473 O ILE 89 -36.969 31.964 -33.144 1.00 13.52 ATOM 1474 N VAL 90 -37.967 33.872 -33.791 1.00 71.30 ATOM 1475 HN VAL 90 -37.920 34.853 -33.819 1.00 37.53 ATOM 1476 CA VAL 90 -39.134 33.198 -34.371 1.00 14.44 ATOM 1477 HA VAL 90 -39.298 32.280 -33.823 1.00 52.05 ATOM 1478 CB VAL 90 -40.410 34.071 -34.243 1.00 63.02 ATOM 1479 HB VAL 90 -40.268 34.966 -34.837 1.00 11.12 ATOM 1480 CG1 VAL 90 -41.635 33.331 -34.789 1.00 31.54 ATOM 1481 HG11 VAL 90 -41.784 32.419 -34.230 1.00 73.33 ATOM 1482 HG12 VAL 90 -41.478 33.093 -35.831 1.00 15.52 ATOM 1483 HG13 VAL 90 -42.510 33.957 -34.694 1.00 34.51 ATOM 1484 CG2 VAL 90 -40.628 34.498 -32.791 1.00 45.24 ATOM 1485 HG21 VAL 90 -41.522 35.100 -32.719 1.00 23.13 ATOM 1486 HG22 VAL 90 -39.778 35.076 -32.455 1.00 62.35 ATOM 1487 HG23 VAL 90 -40.733 33.622 -32.167 1.00 4.54 ATOM 1488 C VAL 90 -38.898 32.860 -35.853 1.00 42.23 ATOM 1489 O VAL 90 -38.465 33.711 -36.634 1.00 10.51 ATOM 1490 N GLN 91 -39.176 31.614 -36.234 1.00 53.44 ATOM 1491 HN GLN 91 -39.487 30.970 -35.562 1.00 37.53 ATOM 1492 HA GLN 91 -38.921 32.058 -38.249 1.00 32.12 ATOM 1493 CB GLN 91 -37.767 30.299 -37.787 1.00 63.11 ATOM 1494 HB1 GLN 91 -38.018 29.277 -37.541 1.00 37.53 ATOM 1495 HB2 GLN 91 -37.017 30.648 -37.089 1.00 63.23 ATOM 1496 CG GLN 91 -37.151 30.318 -39.193 1.00 61.42 ATOM 1497 HG1 GLN 91 -36.210 29.786 -39.159 1.00 37.53 ATOM 1498 HG2 GLN 91 -36.961 31.346 -39.467 1.00 51.51 ATOM 1499 CD GLN 91 -38.018 29.688 -40.279 1.00 51.41 ATOM 1500 OE1 GLN 91 -38.003 30.124 -41.426 1.00 25.34 ATOM 1501 NE2 GLN 91 -38.755 28.647 -39.944 1.00 31.21 ATOM 1502 HE21 GLN 91 -38.716 28.327 -39.020 1.00 52.35 ATOM 1503 HE22 GLN 91 -39.310 28.235 -40.637 1.00 33.41 ATOM 1504 CA GLN 91 -39.029 31.174 -37.632 1.00 43.42 ATOM 1505 C GLN 91 -40.282 30.403 -38.089 1.00 44.13 ATOM 1506 OT1 GLN 91 -40.440 29.227 -37.687 1.00 37.53 ATOM 1507 OT2 GLN 91 -41.100 30.975 -38.842 1.00 37.53 ATOM 1508 OH2 TIP3 1 -34.991 2.831 -7.637 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -35.743 2.298 -7.358 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -34.653 3.220 -6.807 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -36.778 7.569 -2.773 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -36.285 8.212 -3.314 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -37.265 8.125 -2.126 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -34.120 6.398 -5.019 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -34.312 6.635 -5.938 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -34.773 6.898 -4.500 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -34.945 9.073 -4.261 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -35.302 9.953 -4.535 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -34.206 8.924 -4.866 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -34.801 8.327 -8.996 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -34.434 8.270 -9.901 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -34.248 7.697 -8.480 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -33.867 5.750 3.969 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -33.627 6.695 3.801 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -34.524 5.797 4.673 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -33.100 6.362 -8.175 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -33.381 5.708 -8.843 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -32.200 6.070 -7.919 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -33.224 7.505 -11.146 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -33.572 6.586 -11.094 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -32.370 7.458 -10.701 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -31.318 10.284 3.201 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -32.195 10.703 3.051 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.795 10.978 3.659 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -33.676 9.875 -12.382 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -32.980 9.987 -13.069 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -33.605 8.929 -12.124 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -33.703 10.818 -0.219 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -33.833 9.935 -0.622 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -33.780 11.436 -0.972 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -31.856 4.088 2.886 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -31.762 3.297 3.427 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -32.447 4.670 3.410 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -33.943 4.944 -10.582 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -33.307 4.274 -10.925 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -34.803 4.516 -10.668 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -33.730 5.349 1.219 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -34.083 5.566 2.104 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -33.094 4.629 1.388 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -32.360 10.765 -10.154 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -33.074 11.155 -9.633 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -32.797 10.487 -10.987 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -33.472 1.369 -9.410 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -34.115 1.931 -8.929 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -33.278 1.869 -10.225 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -31.699 5.559 -3.931 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -31.528 4.783 -4.497 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -32.570 5.885 -4.229 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -34.429 3.655 -4.975 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -34.284 4.625 -5.009 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -34.932 3.521 -4.156 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -36.177 4.935 -2.678 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -36.941 4.521 -2.266 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -36.434 5.885 -2.760 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -33.496 8.722 -1.906 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -34.120 8.832 -2.651 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -33.586 7.766 -1.659 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -33.276 8.327 3.275 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -32.410 8.739 3.459 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -33.849 9.082 3.046 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -37.202 21.289 -43.848 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -37.970 21.818 -44.147 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -36.741 21.064 -44.657 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -41.065 26.402 -40.599 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -41.913 26.889 -40.720 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -41.294 25.467 -40.819 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -39.399 22.683 -44.644 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -39.811 22.359 -45.478 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -39.560 23.653 -44.662 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -38.900 27.018 -37.407 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -39.585 27.726 -37.466 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -39.281 26.372 -36.792 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -40.032 25.349 -44.581 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -40.968 25.420 -44.286 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -39.530 25.848 -43.902 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -39.541 22.379 -41.913 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -39.587 22.532 -42.883 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -38.862 21.697 -41.817 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -37.047 25.967 -40.621 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -36.820 26.030 -39.675 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -36.282 26.393 -41.080 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -41.823 23.948 -41.479 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -42.619 23.440 -41.190 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -41.121 23.267 -41.562 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -44.291 24.380 -38.436 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -43.480 24.923 -38.391 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -44.625 24.377 -37.508 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -40.395 25.185 -47.324 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -40.127 25.305 -46.389 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -40.207 26.056 -47.739 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -47.494 28.083 -38.435 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -47.407 27.182 -38.761 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -46.745 28.563 -38.853 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -34.017 25.291 -39.099 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -34.872 25.467 -38.664 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -34.254 25.076 -40.008 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -40.272 28.938 -34.986 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -40.449 29.070 -35.946 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -40.294 27.963 -34.874 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -41.957 29.258 -45.458 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -41.380 29.049 -44.692 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -41.327 29.424 -46.190 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -38.641 30.596 -45.047 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -38.412 31.353 -44.468 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.204 30.023 -44.480 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -44.157 22.832 -40.639 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -44.249 23.394 -39.830 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -44.895 22.222 -40.585 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -39.110 23.902 -39.472 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -38.458 24.525 -39.825 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -39.336 23.336 -40.233 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -40.706 22.409 -47.036 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -41.631 22.585 -46.783 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -40.416 23.240 -47.455 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -42.752 24.124 -46.227 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -42.096 24.634 -46.737 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -42.799 24.585 -45.369 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -40.277 24.353 -36.900 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -41.033 24.861 -37.285 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -39.768 24.056 -37.688 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -46.991 29.097 -35.977 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -47.257 28.697 -36.841 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -47.717 29.688 -35.758 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -41.130 23.104 -34.570 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -40.336 22.606 -34.357 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -40.976 23.421 -35.485 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -31.185 29.047 -37.655 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -31.453 28.115 -37.506 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -31.992 29.469 -38.017 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -35.081 27.267 -41.965 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -34.142 27.534 -42.083 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -35.567 27.820 -42.608 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -35.481 22.740 -34.063 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -35.134 22.795 -33.148 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -35.361 21.819 -34.305 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -36.375 26.195 -37.920 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -36.154 25.673 -37.104 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -37.304 26.492 -37.767 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -39.051 26.676 -42.373 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -38.212 26.428 -41.924 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -39.745 26.470 -41.707 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -42.045 25.986 -38.089 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -42.531 26.821 -37.894 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -41.533 26.195 -38.897 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -44.363 30.022 -36.156 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -44.205 30.392 -35.258 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -45.294 29.729 -36.132 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -43.011 28.506 -37.865 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -43.416 29.044 -37.141 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -42.088 28.855 -37.934 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -42.620 25.376 -43.702 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -43.404 25.905 -43.450 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -42.431 24.832 -42.906 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -43.429 27.702 -40.874 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -44.053 28.070 -40.216 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -44.003 27.441 -41.628 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -35.803 25.000 -35.572 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -35.759 24.122 -35.134 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -35.515 25.625 -34.877 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -38.725 29.376 -25.125 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -39.108 29.018 -25.957 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -37.829 29.668 -25.391 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -40.469 27.005 -29.376 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -39.554 26.846 -29.714 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -40.878 26.135 -29.390 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -39.251 28.937 -27.768 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -39.677 28.270 -28.340 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -38.647 29.418 -28.366 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -34.182 22.759 -31.623 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -33.429 22.314 -31.226 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -33.925 23.709 -31.631 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -39.917 31.752 -27.738 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -40.226 30.841 -27.584 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -39.077 31.636 -28.229 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -38.127 30.056 -31.784 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -39.083 30.204 -31.991 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -37.661 30.751 -32.298 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -42.133 29.193 -29.028 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -41.585 28.399 -29.192 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -42.215 29.228 -28.049 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -37.942 26.606 -30.200 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -37.821 26.889 -31.133 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -37.217 25.960 -30.050 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -40.266 26.165 -34.772 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -40.951 25.874 -34.158 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -40.205 25.435 -35.423 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -35.150 26.799 -33.566 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -34.805 27.667 -33.854 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -36.055 26.998 -33.240 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -44.810 24.607 -35.788 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -44.470 24.169 -34.983 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -45.157 25.465 -35.464 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -40.659 30.369 -32.613 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -41.544 30.279 -32.204 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -40.731 29.872 -33.455 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -43.134 30.199 -31.305 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -44.002 29.783 -31.264 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -42.712 29.955 -30.445 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -37.678 27.547 -32.769 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -37.797 28.469 -32.440 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -38.388 27.433 -33.418 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -43.704 23.349 -33.593 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -43.901 22.471 -33.262 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -42.784 23.281 -33.926 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -44.188 31.097 -33.687 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -43.706 30.901 -32.862 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -44.490 32.025 -33.574 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -27.696 17.549 -9.648 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -27.320 17.431 -10.552 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -28.565 17.120 -9.693 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -37.709 30.855 -29.175 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -36.870 31.370 -29.209 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -37.824 30.524 -30.095 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -35.184 28.423 -22.266 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -35.060 27.469 -22.249 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -36.164 28.538 -22.295 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -35.713 25.092 -29.744 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -35.037 25.267 -30.434 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -35.623 24.149 -29.561 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -33.188 14.824 -1.498 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -33.060 15.496 -0.791 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -33.124 15.336 -2.329 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -37.276 9.036 -10.106 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -38.058 8.584 -9.779 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -36.538 8.636 -9.606 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -32.563 16.393 0.651 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -32.203 17.288 0.775 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -32.069 15.845 1.307 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -35.255 11.458 -5.478 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -34.823 12.318 -5.321 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -35.390 11.429 -6.441 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -33.247 12.274 -2.535 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -33.424 12.468 -3.481 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -33.339 13.147 -2.096 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -34.958 24.135 2.403 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -34.195 24.358 1.829 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -35.726 24.345 1.865 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -31.121 18.018 -2.462 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -31.351 18.818 -1.957 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -30.454 18.332 -3.112 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -31.405 10.079 -13.918 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -31.175 9.860 -14.825 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -30.602 10.505 -13.561 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -31.322 26.695 2.271 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -30.456 26.345 2.579 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -31.584 27.328 2.966 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -37.967 9.366 -1.030 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -38.851 9.747 -1.055 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -37.537 9.808 -0.290 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -35.319 28.037 0.466 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -34.503 27.939 -0.075 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -35.973 28.375 -0.154 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -30.995 20.836 -1.397 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -31.322 21.425 -0.677 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -30.630 21.447 -2.051 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -30.638 22.824 3.343 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -30.380 22.202 4.041 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -31.038 23.571 3.830 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -35.133 15.754 1.462 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -34.214 15.951 1.174 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -35.668 15.928 0.679 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -32.972 27.993 -0.935 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -32.040 27.741 -0.748 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -32.930 28.404 -1.833 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -32.847 25.008 0.816 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -33.000 25.560 0.036 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -32.331 25.590 1.423 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -33.678 21.415 6.351 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -33.902 22.205 5.803 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -33.699 21.744 7.256 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -33.289 16.751 -6.452 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -34.207 17.049 -6.623 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -33.106 16.134 -7.185 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -29.373 21.756 -4.253 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -29.867 22.342 -4.839 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -29.137 22.325 -3.487 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -34.333 23.676 5.013 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -34.632 23.793 4.079 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -34.584 24.523 5.453 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -31.376 22.615 0.704 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -31.984 23.381 0.641 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -31.213 22.520 1.672 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -31.521 18.505 2.392 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -32.313 17.990 2.678 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -31.306 19.048 3.167 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -34.890 11.000 -8.321 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -35.363 11.251 -9.144 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -34.853 10.019 -8.362 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -33.445 13.553 -4.968 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -33.078 13.420 -5.860 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -33.213 14.474 -4.746 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -35.366 13.269 2.711 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -35.272 14.104 2.207 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -35.904 13.512 3.470 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.794 12.398 -7.438 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.389 11.665 -6.926 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -33.633 12.008 -7.783 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -33.759 17.369 3.412 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -34.456 16.824 3.008 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -34.249 18.044 3.930 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -34.403 13.468 -10.842 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -35.017 12.701 -10.865 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -34.180 13.618 -11.766 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -31.717 7.112 0.648 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -31.800 7.854 1.261 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -32.538 6.594 0.786 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -34.024 6.144 -1.383 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -34.686 5.601 -1.854 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -34.029 5.789 -0.470 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -35.692 11.078 -10.959 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -36.429 10.438 -10.821 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -35.118 10.640 -11.627 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -34.431 28.509 3.000 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -35.144 28.296 3.614 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -34.812 28.311 2.111 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -34.346 25.988 6.413 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -33.482 26.440 6.424 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -34.617 25.974 7.352 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -30.048 17.369 5.768 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -30.773 18.016 5.627 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -29.697 17.210 4.870 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -34.483 26.039 9.180 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -35.248 26.352 9.675 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -33.740 26.610 9.495 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -31.749 26.902 6.544 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -31.832 27.474 5.752 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -31.197 27.432 7.163 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.787 19.506 4.753 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -35.611 19.910 4.460 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -34.431 20.142 5.415 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -33.057 30.822 20.832 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -34.039 30.862 20.881 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -32.771 31.680 21.151 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -31.636 28.535 20.478 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -31.734 28.181 21.367 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -32.163 29.368 20.493 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -30.562 22.139 8.752 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -31.259 22.826 8.826 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -29.929 22.374 9.446 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -30.220 23.761 11.274 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -30.962 24.010 10.693 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -30.189 24.480 11.942 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -31.854 19.410 5.130 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -32.764 19.174 4.882 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -31.952 20.248 5.617 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -33.853 11.006 2.467 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -33.798 10.930 1.486 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.443 11.781 2.611 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -32.353 27.467 10.063 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -31.654 27.888 9.535 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -32.184 27.778 10.978 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -37.824 36.507 -41.748 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -38.668 36.242 -41.343 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -38.042 36.632 -42.704 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -33.567 30.034 -38.725 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -33.553 30.940 -38.332 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -33.205 30.163 -39.630 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -38.260 32.334 -42.971 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -39.098 32.803 -42.740 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -38.195 31.619 -42.305 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -42.912 33.748 -43.664 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -43.126 33.035 -43.014 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -43.717 33.806 -44.226 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.294 33.799 -45.656 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -33.983 34.156 -44.807 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -33.931 32.893 -45.679 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -45.168 29.292 -39.302 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -44.514 28.999 -38.631 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -44.958 30.235 -39.437 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -34.792 31.103 -42.826 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -35.436 30.382 -42.977 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -34.946 31.372 -41.904 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -43.701 31.752 -39.074 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -42.819 31.351 -38.889 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -43.721 32.547 -38.513 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -35.972 36.073 -39.604 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -36.550 35.297 -39.430 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -36.387 36.506 -40.375 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -33.206 32.502 -37.715 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -32.298 32.607 -37.352 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -33.332 33.294 -38.275 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -37.564 33.948 -39.162 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -36.987 33.251 -39.546 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -37.798 33.609 -38.273 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -43.235 31.801 -41.809 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -43.552 31.870 -40.886 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -42.598 31.064 -41.786 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -43.147 34.319 -37.902 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -43.612 35.049 -38.366 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -42.460 34.783 -37.366 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -40.971 33.966 -45.635 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -40.180 33.955 -45.086 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -41.711 33.945 -44.989 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -38.675 36.322 -37.036 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -38.556 35.375 -36.821 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -38.996 36.317 -37.958 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -36.409 35.437 -46.313 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -36.222 35.598 -47.241 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -35.721 34.786 -46.040 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -39.534 35.748 -39.617 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -38.797 35.098 -39.552 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -40.337 35.185 -39.681 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -41.521 29.660 -41.182 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -42.182 28.963 -40.985 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -41.314 30.054 -40.298 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -40.512 33.625 -42.328 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -41.356 33.729 -42.815 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -40.785 33.598 -41.386 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -45.035 33.354 -45.324 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -44.610 32.561 -45.721 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -45.973 33.214 -45.465 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -36.355 34.295 -42.570 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -36.946 35.041 -42.349 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -36.962 33.603 -42.922 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -42.626 38.876 -39.659 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -41.654 38.736 -39.738 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -42.740 39.818 -39.806 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -32.984 40.720 -38.143 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -33.848 40.894 -38.522 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -33.171 40.551 -37.188 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -39.845 27.700 -48.260 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -39.952 28.587 -47.848 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -39.749 27.885 -49.196 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -41.577 32.416 -47.759 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -41.718 33.025 -48.491 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -41.286 32.999 -47.012 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -40.128 28.989 -43.424 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -40.591 29.314 -42.615 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -39.711 28.147 -43.140 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -38.217 36.441 -44.456 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -38.966 36.577 -45.045 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -37.504 36.107 -45.048 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -44.870 26.934 -43.071 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -45.753 26.580 -43.218 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -44.771 27.633 -43.767 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -35.760 36.214 -36.799 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -36.622 36.490 -36.444 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -35.861 36.304 -37.766 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -44.046 36.666 -39.015 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -44.611 36.552 -39.788 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -43.497 37.459 -39.235 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -39.004 39.154 -34.780 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -38.625 38.385 -34.308 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -39.014 38.881 -35.702 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -41.227 33.570 -39.692 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -41.083 32.622 -39.459 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -41.971 33.843 -39.118 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -39.949 38.474 -39.916 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -39.096 38.780 -40.239 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -39.830 37.509 -39.798 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -37.606 37.099 -33.583 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -36.908 37.768 -33.424 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -37.717 36.665 -32.710 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -41.461 36.148 -36.787 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -42.013 36.828 -36.369 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -40.550 36.465 -36.661 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -33.648 40.284 -35.525 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -33.687 40.797 -34.690 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -33.774 39.363 -35.242 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -35.591 38.817 -32.657 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -34.941 38.288 -33.176 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -35.263 39.731 -32.733 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -35.428 32.767 -40.523 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -34.619 33.170 -40.168 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.632 33.297 -41.324 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -33.070 31.394 -44.875 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -32.913 30.483 -45.142 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -33.710 31.318 -44.123 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -36.627 29.136 -43.457 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -37.067 29.376 -44.291 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -37.266 29.405 -42.764 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -44.590 28.745 -45.026 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -44.909 29.553 -45.449 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -43.618 28.766 -45.177 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -40.148 30.191 -47.281 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -39.490 30.514 -46.623 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -40.659 30.995 -47.526 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -43.661 31.228 -46.380 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -43.043 31.620 -47.029 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -43.110 30.581 -45.894 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -45.830 26.916 -34.724 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -46.139 27.706 -35.213 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -46.261 26.983 -33.871 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -41.762 36.822 -26.308 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -42.129 37.707 -26.396 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -41.741 36.478 -27.225 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -39.653 38.942 -23.948 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -39.764 38.143 -24.479 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -39.728 38.628 -23.023 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -39.910 44.754 -25.389 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -40.072 44.229 -24.578 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -40.388 45.578 -25.237 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -40.139 43.684 -22.860 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -40.143 43.396 -21.924 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -40.376 44.639 -22.812 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -31.040 33.965 -21.064 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -31.970 33.799 -20.809 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -30.569 34.031 -20.211 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -33.309 33.410 -19.571 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -34.126 32.872 -19.503 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.305 33.943 -18.755 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -42.006 39.846 -31.792 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -42.327 39.333 -32.539 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -42.336 39.355 -31.004 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -36.648 32.045 -21.695 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -37.523 32.304 -22.071 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -36.138 31.727 -22.478 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -42.926 38.208 -29.844 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -43.734 37.773 -30.178 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -42.377 37.468 -29.507 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -37.047 38.626 -30.258 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -37.533 39.459 -30.258 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -36.504 38.665 -31.072 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -38.577 41.369 -23.414 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -38.998 40.524 -23.715 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -39.315 42.013 -23.399 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -32.458 29.739 -32.826 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -33.156 29.634 -33.514 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -31.637 29.446 -33.271 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -32.900 42.486 -30.954 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -33.102 43.265 -30.417 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -31.976 42.268 -30.719 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -45.011 41.347 -18.670 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -45.692 40.929 -19.208 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -45.435 42.137 -18.320 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -37.810 43.628 -26.654 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -38.642 44.060 -26.344 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -38.040 43.277 -27.551 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -33.442 36.374 -17.148 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -33.041 35.511 -16.922 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.286 36.136 -17.585 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -35.796 35.842 -18.436 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -36.445 36.058 -17.724 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -36.307 35.277 -19.060 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -41.176 35.261 -20.048 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -40.568 35.294 -20.811 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -40.948 34.441 -19.601 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -40.458 35.466 -24.375 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -40.410 34.565 -24.754 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -40.983 35.976 -25.036 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -45.225 34.466 -36.027 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -45.476 33.739 -35.435 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -44.591 34.063 -36.649 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -37.833 39.108 -19.492 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -36.900 38.915 -19.257 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -38.329 38.918 -18.666 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -40.202 32.830 -25.188 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -40.030 32.618 -26.130 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -40.724 32.067 -24.865 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -43.908 34.395 -30.877 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -43.168 34.288 -30.259 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -44.194 35.322 -30.754 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -38.953 32.883 -22.716 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -39.334 32.830 -23.617 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -39.076 33.818 -22.462 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -39.175 47.697 -15.937 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -38.756 48.092 -16.744 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -39.223 48.430 -15.314 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -39.229 35.541 -21.998 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -39.676 35.547 -22.886 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -39.214 36.491 -21.737 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -39.623 38.148 -21.300 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -38.904 38.508 -20.738 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -40.415 38.175 -20.718 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -44.979 36.976 -31.212 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -44.776 37.327 -32.113 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -45.941 36.977 -31.173 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -41.706 38.027 -16.634 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -42.322 37.538 -16.040 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -42.201 38.834 -16.881 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -39.957 41.422 -30.938 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -40.639 40.812 -31.313 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -40.407 41.847 -30.198 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -39.972 43.335 -20.182 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -40.460 43.222 -19.344 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -39.300 42.615 -20.171 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -35.878 44.105 -30.154 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -35.336 44.910 -30.331 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -35.881 43.628 -31.011 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -41.435 43.725 -17.874 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -42.336 43.815 -18.220 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -41.188 44.638 -17.615 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -38.039 41.543 -20.729 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -37.897 40.682 -20.275 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -38.210 41.295 -21.664 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -36.253 43.012 -32.700 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -36.386 43.749 -33.306 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -37.038 42.428 -32.856 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -39.005 45.847 -19.587 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -39.477 45.066 -19.957 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -38.300 45.452 -19.022 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -34.308 46.299 -30.401 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -33.378 46.328 -30.151 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -34.543 47.241 -30.572 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -37.349 34.333 -20.133 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -36.996 33.595 -20.661 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -37.956 34.793 -20.741 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -41.488 36.054 -28.942 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -40.539 36.324 -29.015 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -41.474 35.088 -29.125 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -41.615 37.867 -19.399 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -41.655 36.935 -19.717 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -41.514 37.781 -18.431 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.377 29.862 -26.535 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -36.192 28.982 -26.937 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -36.637 30.413 -27.288 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -44.872 33.726 -33.309 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -44.680 34.573 -33.728 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -44.592 33.854 -32.372 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -35.371 31.593 -19.363 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -36.050 31.676 -18.685 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -35.864 31.702 -20.212 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -40.226 41.316 -17.325 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -41.023 40.804 -17.595 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -40.538 42.247 -17.323 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -38.352 41.400 -33.245 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -39.006 41.358 -32.518 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -38.596 40.650 -33.831 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -34.935 40.265 -21.581 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -35.035 41.103 -21.103 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -35.030 39.590 -20.895 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -44.677 38.026 -33.714 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -44.449 37.603 -34.574 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -44.985 38.904 -33.961 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -44.208 36.973 -36.207 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -44.167 37.058 -37.180 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -44.645 36.103 -36.064 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -34.063 41.351 -33.085 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -34.868 41.905 -33.162 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -33.607 41.710 -32.286 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -42.591 40.173 -18.101 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -43.451 40.618 -18.283 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -42.472 39.565 -18.856 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -43.542 36.679 -15.142 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -44.028 35.931 -15.503 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -43.835 36.734 -14.227 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -37.493 41.964 -17.127 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -38.424 41.667 -17.233 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -37.324 41.881 -16.178 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -37.485 36.712 -16.557 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -38.050 37.493 -16.738 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -37.521 36.610 -15.603 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -33.613 43.484 -16.585 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -34.007 43.708 -17.458 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -33.926 44.204 -15.991 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -35.466 41.346 -18.944 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -35.319 40.392 -18.793 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -36.212 41.569 -18.348 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -33.136 39.081 -17.122 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -33.192 39.357 -16.179 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -33.049 38.098 -17.079 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -31.933 31.374 -18.352 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -32.263 30.532 -18.700 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -32.309 32.047 -18.957 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -40.886 46.413 -17.657 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -40.248 46.400 -18.404 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -40.402 46.878 -16.938 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -33.612 29.665 -20.334 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -34.215 30.321 -19.928 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -34.141 29.270 -21.059 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -38.124 46.970 -21.862 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -38.905 46.904 -22.449 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -38.454 46.639 -20.996 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -36.142 43.289 -21.791 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -36.051 44.163 -21.378 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -36.808 42.829 -21.240 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -35.502 46.156 -21.693 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -36.455 46.402 -21.700 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -35.031 47.023 -21.704 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -42.254 29.090 -26.273 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -42.501 28.305 -25.775 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -41.947 29.720 -25.590 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -37.826 29.035 -22.524 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -38.201 29.002 -23.428 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -37.723 29.979 -22.344 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -35.723 30.720 -23.907 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -35.307 29.922 -23.536 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -35.825 30.518 -24.858 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -41.055 30.407 -24.148 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -40.186 30.029 -24.416 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -41.071 30.306 -23.189 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -41.479 33.349 -29.473 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -41.743 32.672 -30.111 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -41.008 32.847 -28.775 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -38.144 42.851 -29.229 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -38.515 42.360 -29.982 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -37.345 43.289 -29.597 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -34.672 43.933 -19.048 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -34.777 42.971 -19.233 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -34.005 44.235 -19.702 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -33.184 40.023 -14.535 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -33.876 40.713 -14.427 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -32.823 39.913 -13.651 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -39.156 38.793 -17.076 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -39.381 39.746 -17.085 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -40.004 38.352 -16.836 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -34.773 42.252 -14.426 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -34.402 42.531 -15.288 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -35.205 43.051 -14.087 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -37.159 44.518 -18.148 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -36.236 44.488 -18.489 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -37.320 43.608 -17.817 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -35.312 38.606 -18.638 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -35.437 37.631 -18.686 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -34.522 38.715 -18.059 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -28.245 31.942 2.640 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -27.757 32.161 3.447 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -28.427 32.807 2.226 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -29.026 34.030 0.958 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -28.922 34.163 -0.008 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -29.841 33.490 1.037 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -32.608 29.865 1.204 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -33.203 29.522 1.892 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -32.744 29.265 0.450 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -31.453 31.026 5.084 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -30.537 31.013 5.432 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -31.523 31.873 4.631 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -32.039 28.514 4.324 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -31.976 29.451 4.641 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -32.914 28.475 3.871 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -35.776 31.118 21.098 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -36.403 30.938 21.807 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -36.329 31.317 20.336 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -34.097 48.453 -21.986 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -33.419 48.402 -21.276 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -33.577 48.639 -22.802 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -38.610 49.085 -24.318 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -38.093 48.467 -24.877 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -37.973 49.394 -23.649 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -37.509 50.718 -19.867 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -37.301 50.325 -20.741 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -37.351 51.658 -19.987 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -43.078 45.959 -21.209 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -43.162 45.952 -20.232 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -43.982 45.875 -21.524 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -34.830 48.946 -30.884 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -35.081 49.323 -31.755 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.911 49.684 -30.276 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -43.395 45.894 -18.492 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -42.503 46.198 -18.202 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -44.001 46.345 -17.896 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -36.802 49.358 -22.157 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -35.852 49.125 -22.156 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -37.262 48.499 -22.037 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -37.074 45.890 -15.752 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -37.853 46.478 -15.700 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -37.142 45.481 -16.638 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -37.187 47.202 -25.775 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -36.975 46.366 -25.321 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -37.335 46.940 -26.694 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -32.804 47.018 -14.054 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -32.732 47.625 -13.308 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -32.405 46.183 -13.726 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -38.211 48.589 -18.271 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -37.922 49.429 -18.695 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -38.384 47.998 -19.014 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -40.783 46.323 -22.691 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -41.560 46.200 -22.097 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -41.001 47.139 -23.201 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -35.635 45.286 -24.271 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -35.026 45.850 -24.792 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -35.519 45.595 -23.350 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -34.327 47.057 -25.941 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -34.457 46.379 -26.642 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -35.127 47.608 -25.999 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -41.273 48.589 -24.075 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -40.330 48.847 -24.207 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -41.768 49.377 -24.312 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -35.523 50.217 -33.215 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.955 50.339 -33.983 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -36.377 50.564 -33.493 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -19.509 -1.419 -3.807 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -19.281 -2.362 -3.965 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -20.168 -1.455 -3.078 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -27.694 8.551 -4.537 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -27.699 7.877 -5.249 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -27.455 9.377 -4.987 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -21.114 -1.513 -1.606 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -21.938 -1.641 -2.119 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -21.404 -1.568 -0.664 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -22.549 -1.153 -4.015 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -21.955 -0.449 -4.330 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -22.196 -1.974 -4.429 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -14.091 -1.605 2.768 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -13.466 -1.224 3.419 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -13.797 -2.530 2.670 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -22.194 4.093 -4.258 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -21.797 4.755 -4.852 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -22.758 4.625 -3.644 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -27.874 -0.070 3.929 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -27.685 -0.446 3.066 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -27.914 -0.848 4.526 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -25.539 6.097 -0.588 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -25.315 7.021 -0.829 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -26.507 6.019 -0.800 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -32.314 2.905 -11.408 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -31.621 2.995 -10.704 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -31.833 2.562 -12.169 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -23.970 5.437 -2.744 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -24.438 5.484 -1.886 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -24.692 5.467 -3.412 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -20.167 7.901 -5.528 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -20.442 7.016 -5.831 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -19.207 7.808 -5.370 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -19.504 2.447 -6.266 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -18.993 1.618 -6.145 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -19.551 2.556 -7.239 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -18.424 -1.916 -0.231 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -18.039 -1.290 -0.867 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -19.382 -1.848 -0.380 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -24.794 0.447 -4.440 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -24.040 -0.130 -4.200 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -25.488 -0.165 -4.697 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -27.984 -2.434 5.305 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -28.825 -2.783 5.618 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -27.338 -3.098 5.566 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -24.937 4.189 1.357 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -25.840 4.171 1.748 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -25.039 4.738 0.555 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -27.369 4.549 2.465 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -27.523 3.877 3.173 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.261 4.698 2.081 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -30.567 6.902 -1.877 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -31.036 6.366 -2.560 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -31.155 6.864 -1.095 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -17.605 7.332 -9.369 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -17.233 8.164 -9.001 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -17.118 7.201 -10.191 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -19.251 10.431 -8.064 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -19.179 11.229 -7.494 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -18.320 10.185 -8.249 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -15.381 -0.326 0.551 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -14.610 -0.293 -0.056 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -15.114 -0.966 1.241 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -28.196 6.118 -0.841 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.600 5.675 -0.070 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -28.969 6.416 -1.373 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -17.938 -1.688 2.486 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -18.100 -1.666 1.519 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -18.821 -1.537 2.879 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -20.301 -0.864 3.584 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -20.639 -1.172 4.431 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -19.887 0.008 3.790 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -18.758 -0.223 -6.153 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -19.138 -0.831 -6.797 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -19.035 -0.590 -5.283 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -17.516 1.156 -0.122 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -17.603 0.798 -1.029 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -16.846 0.571 0.298 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -27.768 2.623 4.321 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -27.843 1.661 4.118 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -27.777 2.661 5.279 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -21.473 -3.599 -4.811 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -21.898 -4.430 -5.042 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -20.550 -3.850 -4.604 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -19.905 2.644 -9.007 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -20.845 2.870 -9.016 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -19.811 1.984 -9.705 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -31.538 1.372 -7.532 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -31.194 0.480 -7.409 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -32.257 1.265 -8.205 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -18.330 4.973 -8.011 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -18.642 4.335 -8.676 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -18.056 5.757 -8.537 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -22.455 1.481 0.546 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -21.789 1.590 -0.166 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -23.284 1.769 0.140 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -27.487 6.674 -6.509 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -26.923 6.110 -5.943 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -26.870 7.033 -7.179 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -24.624 3.064 -5.152 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -23.701 3.237 -4.900 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -24.755 2.110 -4.944 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -16.883 4.378 -5.651 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -16.966 3.454 -5.340 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -17.296 4.370 -6.539 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -26.048 5.247 -4.561 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -26.856 4.901 -4.160 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -25.594 4.443 -4.923 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -20.181 5.145 -5.995 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -19.576 5.326 -6.746 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -20.143 4.173 -5.897 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -21.393 -1.033 1.034 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -21.034 -1.110 1.942 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -21.803 -0.145 1.015 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -25.646 8.101 -8.056 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -24.879 8.314 -8.609 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -26.308 8.781 -8.293 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -16.546 -3.612 1.043 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -17.044 -3.208 0.310 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -16.866 -3.136 1.832 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -21.277 1.527 -4.336 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -21.757 2.383 -4.270 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -20.653 1.666 -5.075 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -30.566 5.301 -7.486 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -30.910 4.747 -6.750 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -29.715 5.636 -7.156 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -29.941 9.756 0.949 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -30.422 9.886 1.797 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -29.007 9.668 1.219 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -23.490 5.611 3.532 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -23.075 4.737 3.414 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -24.365 5.511 3.131 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -20.293 8.096 -9.056 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -19.443 7.675 -9.280 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -20.035 8.944 -8.641 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -18.216 10.825 1.710 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -17.940 10.256 2.447 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -19.029 11.270 2.044 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -23.020 2.926 2.816 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -23.810 3.301 2.363 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -22.617 2.343 2.139 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -18.266 2.862 1.863 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -18.591 2.331 2.612 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -18.074 2.199 1.164 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -20.803 1.231 -1.657 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -21.040 1.333 -2.606 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -20.798 0.261 -1.518 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -19.149 1.548 4.233 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -19.906 2.015 4.635 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -18.372 1.909 4.696 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -24.596 10.544 -9.571 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -23.898 9.886 -9.783 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -24.389 11.311 -10.145 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -30.649 3.189 -9.341 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -30.868 2.500 -8.680 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -30.425 3.971 -8.803 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -15.090 -2.512 -6.910 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -15.343 -1.602 -6.618 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -14.581 -2.367 -7.714 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -15.971 -0.068 -6.166 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -16.936 -0.161 -6.274 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -15.875 0.696 -5.576 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -31.832 3.507 -5.799 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -31.723 2.731 -6.391 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -32.703 3.360 -5.372 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -16.818 1.829 -4.256 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -16.111 2.341 -3.798 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -17.065 1.137 -3.611 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -13.122 0.509 -0.789 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -12.920 1.118 -1.525 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -12.255 0.364 -0.360 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -17.544 7.055 -5.205 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -16.802 7.656 -5.351 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -17.216 6.186 -5.527 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -29.785 5.250 1.370 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -30.430 4.724 1.887 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -30.302 6.026 1.068 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -22.906 8.393 -9.777 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -23.044 7.651 -10.374 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -21.973 8.284 -9.471 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -16.625 9.917 -8.717 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -16.382 10.538 -7.992 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -16.212 10.301 -9.501 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -29.658 11.161 -10.122 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -29.111 10.458 -9.730 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -30.579 10.806 -10.084 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -20.654 12.216 12.945 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -21.434 12.716 12.609 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -20.380 12.710 13.745 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -16.915 8.358 16.911 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -16.758 8.854 17.744 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -17.805 8.608 16.652 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -18.033 8.575 8.881 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -17.855 8.372 9.831 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -18.200 7.700 8.478 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -16.433 5.036 6.782 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -15.917 4.769 7.578 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -16.476 4.226 6.245 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -15.692 5.978 19.444 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -15.300 5.902 18.561 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -16.019 5.094 19.636 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -17.031 9.265 4.529 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -17.638 9.663 5.189 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -16.358 8.807 5.071 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -18.829 6.270 7.480 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -19.454 5.589 7.151 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -17.943 5.917 7.235 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -16.249 2.083 5.459 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -15.376 2.029 5.876 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -16.308 1.258 4.924 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -14.677 12.629 21.608 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -14.303 11.991 20.966 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -14.838 12.094 22.398 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -12.283 -0.446 4.556 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -12.846 -0.008 5.236 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -11.366 -0.324 4.892 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -13.804 8.336 8.452 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -14.397 8.113 7.702 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -13.516 7.466 8.794 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -18.173 7.179 3.229 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -19.012 7.019 3.710 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -17.738 7.897 3.738 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -17.373 12.418 17.946 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -17.537 11.965 17.092 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -18.035 13.143 17.961 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -15.316 7.552 6.131 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -14.777 7.324 5.346 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -15.788 6.720 6.346 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -21.712 2.428 5.167 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -22.116 2.636 4.290 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -22.323 1.794 5.560 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -20.885 4.709 6.453 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -21.055 3.875 5.960 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -21.663 4.815 7.011 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -20.758 8.166 7.016 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -21.131 8.424 7.867 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -20.033 7.539 7.250 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -15.124 11.009 15.266 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -14.420 10.436 14.899 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -14.687 11.475 16.011 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -20.599 6.836 4.624 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -20.646 5.961 5.055 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -20.776 7.466 5.352 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -16.891 5.216 1.827 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -17.401 5.813 2.416 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -17.362 4.354 1.895 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -19.114 12.684 8.640 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -19.360 13.114 9.487 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -19.310 13.363 7.961 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -14.899 4.293 8.949 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -14.936 3.817 9.782 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -14.109 4.868 9.034 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -14.374 7.875 16.132 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -14.254 6.922 16.336 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -15.333 8.038 16.310 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -17.471 8.365 11.570 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -18.024 8.968 12.113 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -16.807 8.037 12.186 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -13.693 0.858 6.554 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -14.227 0.318 7.146 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -13.080 1.342 7.157 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -16.131 -0.237 3.997 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -16.910 -0.642 3.564 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -15.379 -0.751 3.650 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -14.749 -5.397 1.992 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -15.229 -6.230 1.977 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -15.369 -4.755 1.566 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -20.829 8.099 14.338 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -20.850 7.150 14.182 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -21.604 8.268 14.883 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -17.846 11.256 15.413 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -18.267 10.742 14.689 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -16.887 11.053 15.322 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -18.804 9.996 6.470 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -18.374 9.747 7.309 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -19.630 9.473 6.466 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -12.659 10.771 8.203 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -12.966 9.836 8.272 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -13.485 11.297 8.295 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -26.506 7.082 1.850 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -26.176 6.734 1.006 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -26.902 6.300 2.289 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -16.502 10.062 19.034 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -15.596 10.323 19.304 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -16.928 10.907 18.781 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -34.540 29.381 -34.549 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -34.551 28.974 -35.447 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -35.154 30.122 -34.618 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -32.565 28.264 -42.384 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -31.632 28.046 -42.450 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -32.575 29.135 -41.930 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -29.796 30.283 -39.799 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -29.172 30.942 -39.426 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -30.044 29.732 -39.037 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -32.515 26.641 -37.176 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -33.311 27.181 -36.984 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -32.812 26.024 -37.882 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -20.295 31.097 -12.884 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -20.285 31.724 -13.638 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -19.383 31.107 -12.552 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -21.143 15.374 -9.296 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -21.254 15.033 -10.195 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -21.233 16.350 -9.394 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -25.453 14.511 -12.680 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -26.047 13.766 -12.951 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -24.871 14.633 -13.439 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -30.254 33.172 -26.680 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -29.910 33.453 -27.553 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -31.155 32.882 -26.866 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -19.640 30.836 -16.538 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -19.520 30.947 -17.502 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -18.914 30.254 -16.275 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -29.221 31.012 -18.942 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -30.085 31.117 -18.495 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -29.424 30.440 -19.707 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -26.246 30.839 -18.882 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -27.207 30.735 -18.746 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -26.171 31.663 -19.409 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -16.907 30.108 -17.486 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -17.562 30.424 -18.148 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -16.129 29.894 -18.008 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -36.170 27.612 -28.164 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -35.631 26.853 -28.432 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -36.976 27.528 -28.699 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -33.033 27.948 -30.785 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -32.783 28.518 -31.538 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -33.454 28.555 -30.160 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -19.179 12.142 -10.264 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -19.398 11.460 -9.605 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -20.037 12.344 -10.696 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -18.039 21.907 -4.741 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -17.367 22.644 -4.673 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -17.527 21.104 -4.531 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -27.701 15.754 -6.453 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -26.933 15.578 -7.040 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -27.804 16.736 -6.489 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -26.953 11.367 -5.040 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -27.622 11.919 -5.507 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -26.425 12.009 -4.543 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -20.505 16.716 -6.403 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -20.880 16.487 -7.265 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -20.201 17.641 -6.514 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -29.915 15.931 -8.153 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -29.159 15.771 -7.560 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -30.212 15.032 -8.408 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -23.877 16.961 -0.643 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -23.336 16.216 -0.362 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -24.432 16.596 -1.367 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -22.591 23.486 -9.292 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -23.489 23.794 -9.461 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -22.021 24.138 -9.765 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -18.113 15.274 -5.527 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -17.229 14.978 -5.840 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -18.582 15.528 -6.345 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -27.675 13.992 -2.745 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -27.930 13.160 -2.298 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -28.520 14.479 -2.843 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -28.098 18.363 -7.045 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -27.883 18.374 -7.999 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -29.054 18.547 -7.013 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -21.626 20.198 -5.186 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -21.859 20.979 -5.728 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -20.844 19.819 -5.641 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -19.374 19.250 -6.571 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -18.892 18.888 -7.350 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -18.692 19.711 -6.065 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -27.272 17.380 -4.155 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -27.664 16.600 -4.584 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -27.988 18.054 -4.184 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -17.395 21.088 -11.239 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -18.108 21.045 -10.565 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -17.450 21.987 -11.583 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -17.069 13.803 -10.314 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -17.786 13.128 -10.357 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -16.638 13.745 -11.171 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -24.757 17.431 -5.267 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -25.682 17.641 -5.010 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -24.720 16.467 -5.242 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -11.615 26.981 -9.444 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -12.156 26.297 -8.992 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -10.840 27.096 -8.853 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -28.889 23.784 0.684 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -29.737 23.299 0.734 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -28.966 24.465 1.379 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -28.866 23.182 -1.987 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -29.023 24.111 -2.287 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -28.786 23.265 -1.011 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -23.044 29.982 -9.453 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -22.891 30.346 -10.349 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -22.459 30.511 -8.875 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -26.222 29.340 -6.773 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -25.410 29.733 -6.394 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -25.914 28.911 -7.606 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -21.185 25.227 -10.969 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -21.431 25.463 -11.892 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -20.350 24.717 -11.062 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -24.052 30.387 -5.323 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -23.611 29.586 -4.963 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -24.785 30.560 -4.687 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -17.606 11.192 -0.997 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -17.780 11.055 -0.038 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -18.221 11.889 -1.252 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -21.590 12.689 -11.417 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -22.533 12.743 -11.147 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -21.621 12.335 -12.311 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -25.693 15.845 -2.474 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -26.391 15.156 -2.586 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -26.060 16.625 -2.937 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -25.784 15.955 -8.379 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -26.423 16.502 -8.882 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -25.017 16.560 -8.232 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -23.069 18.691 -3.499 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -22.612 19.310 -4.117 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -23.691 18.197 -4.075 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -27.662 18.087 1.700 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -28.022 17.448 2.352 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -28.461 18.505 1.313 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -26.827 12.372 -13.612 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -26.522 11.647 -14.165 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -27.730 12.102 -13.341 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -30.123 15.248 -2.678 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -30.126 16.136 -2.278 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -30.880 15.266 -3.294 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -35.648 16.624 -7.862 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -35.069 15.894 -8.160 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -36.366 16.632 -8.498 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -33.694 14.781 -8.523 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -33.290 14.000 -8.106 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -33.967 14.459 -9.413 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -23.767 14.103 -8.215 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -24.518 14.738 -8.171 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -22.975 14.673 -8.221 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -26.430 17.039 -12.013 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -26.112 16.119 -12.130 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -26.599 17.346 -12.910 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -24.882 13.511 -1.301 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -25.633 13.450 -0.690 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -24.997 14.385 -1.732 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -23.499 17.305 -7.873 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -23.681 17.641 -6.975 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -22.688 17.773 -8.148 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -24.187 12.993 -10.701 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -24.724 13.575 -11.279 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -24.147 13.474 -9.848 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -21.041 18.117 -9.075 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -20.064 18.204 -9.024 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -21.345 19.001 -9.366 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -22.028 20.735 -9.722 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -22.820 20.364 -10.176 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -22.237 21.686 -9.620 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -29.705 19.331 0.463 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -30.361 19.074 1.152 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -30.230 19.848 -0.185 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -12.740 25.160 -7.710 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -12.183 25.333 -6.939 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -13.594 24.833 -7.324 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -24.759 26.104 -4.377 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -25.632 26.548 -4.393 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -24.129 26.834 -4.263 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -21.876 22.456 -6.763 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -22.302 22.768 -7.589 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -20.912 22.557 -6.940 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -26.785 27.993 -4.324 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -26.678 28.429 -5.191 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -26.700 28.719 -3.681 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -19.380 21.297 -9.380 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -19.334 21.679 -8.481 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -20.314 21.007 -9.472 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -17.450 28.967 -9.878 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -18.231 28.399 -10.067 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -17.773 29.866 -10.028 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -19.181 22.809 -7.002 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -18.732 22.393 -6.227 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -18.506 23.435 -7.361 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -29.166 25.867 -2.392 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -28.748 26.548 -2.937 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -29.667 26.373 -1.720 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -24.371 19.769 -10.747 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -24.538 19.008 -11.315 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -25.184 19.872 -10.243 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -25.233 28.456 -9.137 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -25.123 27.763 -9.792 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -24.421 29.012 -9.236 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -27.164 10.382 -8.670 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -27.374 11.251 -8.307 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -26.301 10.513 -9.125 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -30.842 18.046 -6.653 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -31.794 17.873 -6.513 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -30.559 17.322 -7.254 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -23.833 27.467 -15.118 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -23.855 28.140 -15.826 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -24.757 27.252 -14.972 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -18.880 23.747 -10.487 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -19.138 22.861 -10.163 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -18.259 24.071 -9.815 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -26.639 12.369 1.788 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -26.773 12.446 2.752 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -26.849 11.432 1.592 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -24.040 12.201 -3.663 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -23.194 11.767 -3.457 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -24.271 12.678 -2.844 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -23.513 11.500 -0.145 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -23.439 11.754 0.799 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -23.902 12.288 -0.577 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -17.108 12.643 3.683 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -16.965 13.574 3.937 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -17.960 12.410 4.111 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -20.650 11.623 2.803 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -20.269 11.918 3.663 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -21.575 11.918 2.839 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -29.710 12.383 4.009 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.541 12.655 3.081 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -29.601 13.209 4.525 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -27.222 9.679 1.885 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -26.587 9.820 2.611 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -27.147 8.716 1.695 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -23.349 33.148 -10.356 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -24.172 33.447 -10.787 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -23.051 32.399 -10.910 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -28.753 30.310 -6.583 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -27.833 29.978 -6.687 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -29.302 29.540 -6.755 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -17.206 24.464 -7.923 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -16.440 24.187 -7.353 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -16.988 25.363 -8.184 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -15.025 19.237 -6.811 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -15.474 19.037 -7.644 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -14.537 20.079 -7.000 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -16.386 18.673 -10.477 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -16.693 19.556 -10.792 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -15.802 18.364 -11.176 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -16.327 19.780 -4.447 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -15.944 19.535 -5.318 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -15.633 20.302 -4.025 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -29.490 19.012 -4.369 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -29.414 19.993 -4.396 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -29.965 18.785 -5.198 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -18.253 17.859 -8.650 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -18.095 16.903 -8.530 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -17.588 18.130 -9.329 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -15.016 14.467 -2.148 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -15.596 15.243 -2.226 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -14.131 14.808 -2.397 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -15.220 11.855 -2.850 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -15.896 11.436 -2.291 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -15.346 12.820 -2.697 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -31.165 14.833 2.394 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -30.540 14.202 1.972 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -31.652 14.293 3.031 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -18.546 14.993 -8.354 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -17.949 14.638 -9.057 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -19.432 15.012 -8.775 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -30.999 13.256 -0.878 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -31.864 13.706 -0.824 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -30.469 13.834 -1.462 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -32.475 16.084 -3.950 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -32.125 16.883 -3.495 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -32.764 16.419 -4.832 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -28.557 13.108 -6.434 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -28.268 14.036 -6.307 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -29.242 13.164 -7.132 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -30.397 27.376 -0.232 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -30.701 27.041 0.636 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -29.646 27.962 -0.006 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -32.412 29.237 -3.275 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -32.742 29.679 -4.061 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -31.532 29.645 -3.120 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -16.347 11.975 -6.878 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -17.301 12.135 -6.746 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -15.941 12.859 -6.743 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -15.557 14.620 -6.299 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -14.877 14.499 -7.003 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -15.189 15.334 -5.739 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -30.403 13.237 -8.495 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -30.114 12.607 -9.191 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -31.301 12.929 -8.252 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -18.974 12.788 -6.707 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -18.841 13.498 -7.374 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -18.995 13.265 -5.860 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -29.367 11.644 -12.818 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -29.895 12.450 -12.856 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -29.344 11.416 -11.859 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -21.962 26.099 -13.561 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -21.585 25.620 -14.302 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -22.615 26.705 -13.976 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -29.334 13.089 1.383 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -29.739 12.981 0.497 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -28.384 12.911 1.235 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -25.302 10.187 3.886 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -25.890 10.883 4.269 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -25.264 9.507 4.570 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -21.296 21.882 12.751 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -21.648 22.407 13.501 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -20.730 22.517 12.264 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -28.657 21.524 11.370 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -27.918 21.725 11.957 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -29.218 22.337 11.404 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -26.014 22.480 6.771 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -26.094 22.442 7.725 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -25.920 23.434 6.574 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -27.188 19.519 9.836 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -27.641 20.212 10.345 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -27.912 19.007 9.433 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -19.253 15.749 13.261 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -19.176 14.986 13.876 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -18.547 16.361 13.551 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -19.294 13.838 11.128 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -19.751 13.160 11.663 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -19.304 14.633 11.695 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -24.605 16.248 12.329 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -23.727 16.423 12.724 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -25.220 16.351 13.061 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -21.644 23.424 15.024 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -22.380 24.086 15.069 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -20.968 23.787 15.606 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -25.773 25.716 16.516 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -24.891 25.639 16.075 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -26.399 25.735 15.785 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -31.705 24.347 5.411 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -32.657 24.146 5.284 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -31.703 25.222 5.857 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -15.659 15.400 14.424 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -15.342 15.429 15.351 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -16.177 16.224 14.324 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -19.098 17.043 18.272 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -19.085 17.673 19.015 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -18.893 17.595 17.490 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -30.275 19.521 10.404 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -30.665 20.042 9.687 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -29.772 20.177 10.930 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -32.219 21.440 16.159 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -32.126 21.487 15.202 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -33.128 21.155 16.298 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -25.909 25.230 19.153 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -26.551 25.923 19.434 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -25.859 25.338 18.170 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -27.471 27.384 19.625 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -28.364 27.255 19.247 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -27.391 28.342 19.718 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -14.902 12.314 8.086 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -15.718 11.806 8.292 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -14.988 12.531 7.130 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -30.300 22.045 6.020 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -30.779 22.885 5.847 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -30.332 21.952 6.997 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -30.395 26.004 12.937 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -31.062 26.712 12.807 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -30.357 25.891 13.918 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -24.846 22.792 19.732 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -25.314 23.626 19.498 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -25.543 22.132 19.764 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -14.706 15.274 16.990 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -14.041 15.903 17.303 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -15.115 14.929 17.811 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -30.775 22.318 18.301 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -30.563 21.538 18.819 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -31.225 21.962 17.501 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -19.280 14.359 17.698 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.095 15.315 17.869 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -20.112 14.196 18.157 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -19.443 12.352 5.094 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -19.307 11.626 5.741 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -19.577 13.149 5.652 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -28.806 17.946 8.121 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -29.229 17.445 8.847 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -29.259 17.619 7.308 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -20.013 20.954 15.377 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -20.703 21.629 15.268 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -19.576 20.916 14.508 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -23.719 11.982 2.535 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -24.101 11.255 3.068 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -24.467 12.583 2.389 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -28.985 14.651 5.440 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -28.261 14.324 6.018 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -29.438 15.322 5.983 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -18.412 18.982 16.385 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -19.073 19.634 16.052 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -17.958 19.459 17.116 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -23.931 15.831 9.755 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -24.230 15.915 10.692 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -24.185 16.692 9.352 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -28.296 14.861 9.210 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -27.777 14.602 9.977 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -28.918 15.531 9.559 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -24.806 18.372 9.143 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -25.682 18.725 9.426 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -24.192 19.087 9.337 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -19.308 13.579 15.010 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -19.344 13.941 15.921 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -18.722 12.795 15.090 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -15.841 31.295 20.165 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -15.256 30.612 19.769 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -15.230 32.042 20.362 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -21.985 16.448 13.265 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -21.955 17.226 13.833 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -21.042 16.181 13.176 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -22.339 23.787 19.899 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -23.188 23.299 19.765 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -21.997 23.920 19.002 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -29.928 16.800 10.378 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -30.057 17.771 10.499 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -30.626 16.403 10.912 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -21.673 24.267 7.908 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -21.318 23.683 7.234 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -21.831 25.119 7.432 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -17.473 25.824 20.023 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -17.462 24.877 20.195 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -18.425 26.025 19.839 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -30.146 26.111 15.652 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -29.808 26.904 16.088 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -30.490 25.564 16.387 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -19.583 14.598 6.784 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -20.477 14.823 7.131 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -19.107 15.450 6.781 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -22.054 14.882 7.923 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -22.547 15.393 8.592 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -22.647 14.154 7.699 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -22.367 14.060 11.870 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -22.563 14.416 10.994 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -22.397 14.840 12.456 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -26.988 13.641 7.098 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -27.543 14.007 7.824 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -26.110 13.501 7.522 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -15.260 13.721 19.216 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -16.066 13.258 18.895 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -15.198 13.463 20.167 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -19.120 20.221 12.787 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -19.299 19.288 12.629 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -19.982 20.664 12.622 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -29.077 16.411 3.333 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -29.856 16.066 2.846 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -28.876 15.708 3.985 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -30.200 28.454 8.213 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -29.715 27.973 8.926 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -29.792 29.339 8.202 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -30.006 27.482 18.584 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -30.366 26.589 18.392 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -30.637 27.856 19.248 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -23.653 26.206 20.294 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -23.100 25.399 20.318 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -24.546 25.873 20.055 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -20.061 26.256 19.523 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -20.647 26.068 18.762 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -20.581 26.869 20.080 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -21.160 23.294 22.283 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -21.473 23.503 21.368 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -21.974 23.138 22.777 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -19.462 19.232 20.216 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.397 19.020 20.294 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -19.306 19.898 20.929 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -32.138 24.382 9.205 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -31.725 25.224 8.955 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -33.092 24.589 9.233 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -29.169 27.016 10.276 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -29.423 26.660 11.140 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -28.209 26.807 10.203 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -15.740 23.185 22.248 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -16.459 22.902 22.852 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -15.648 24.150 22.426 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -10.083 16.090 18.444 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -10.944 15.682 18.662 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -9.543 15.962 19.258 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -17.153 17.686 14.250 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -16.342 18.206 14.080 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -17.589 18.157 14.996 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -14.482 9.862 22.545 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -15.127 9.272 22.084 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -14.284 9.400 23.363 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -12.587 14.913 19.262 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -12.489 15.244 20.189 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -13.491 14.549 19.237 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -14.960 13.046 5.471 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -15.449 13.881 5.314 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -15.409 12.401 4.898 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -31.131 25.005 18.031 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -30.824 24.073 18.146 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -32.026 25.002 18.391 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -21.912 25.892 17.480 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -22.490 26.571 17.881 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -22.377 25.658 16.637 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -20.861 30.610 20.821 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -21.241 29.719 20.933 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -19.939 30.515 21.122 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -13.820 12.584 17.057 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -14.143 13.481 16.830 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -14.066 12.475 17.993 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -27.750 29.186 15.175 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -27.736 30.157 15.308 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -26.889 28.886 15.533 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -27.750 26.895 13.408 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -28.650 26.529 13.352 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -27.799 27.544 14.134 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -19.101 9.929 13.255 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -19.694 10.673 13.006 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -19.713 9.247 13.619 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -15.447 12.960 13.358 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -15.370 12.289 14.064 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -15.550 13.811 13.843 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -14.597 10.684 10.572 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -15.504 10.461 10.304 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -14.066 9.943 10.252 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -17.080 11.095 9.290 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -17.361 10.156 9.206 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -17.885 11.608 9.020 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -26.986 12.164 4.655 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -27.953 12.024 4.595 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -26.872 12.680 5.483 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -24.750 13.466 8.682 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -24.458 12.874 9.384 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -24.545 14.364 9.023 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -15.452 27.287 18.997 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -16.273 26.893 19.385 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -15.116 26.599 18.413 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -15.408 25.751 23.025 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -15.101 26.371 22.338 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -14.619 25.604 23.576 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -19.288 21.208 22.091 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -19.989 21.885 22.072 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -18.637 21.560 22.726 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -17.827 22.679 24.000 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -18.338 23.519 24.005 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -17.705 22.471 24.934 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -13.819 27.161 21.226 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -14.507 27.302 20.546 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -12.973 27.220 20.723 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -21.480 26.703 23.742 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -21.885 26.665 24.614 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -20.684 26.144 23.822 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -21.667 27.848 21.233 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -21.579 27.561 22.170 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -22.496 27.418 20.932 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -17.580 20.445 18.531 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -16.854 20.747 19.120 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -18.240 20.061 19.144 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -19.320 24.953 23.457 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -18.828 25.436 22.777 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -19.954 24.397 22.949 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -15.685 21.180 20.390 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -15.292 20.536 20.988 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -15.747 21.999 20.927 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -9.558 17.863 22.277 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -10.440 17.736 22.674 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -9.376 18.799 22.400 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -33.595 34.693 -39.290 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -34.375 35.289 -39.330 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -32.980 35.064 -39.935 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -31.170 26.301 -34.816 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -31.606 26.407 -35.692 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -31.358 25.391 -34.568 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -29.788 30.398 -35.712 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -30.176 29.881 -36.456 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -29.839 29.787 -34.946 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -30.590 36.693 -35.338 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -31.443 36.571 -35.805 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -30.836 37.153 -34.507 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -33.697 37.682 -34.229 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -33.558 37.033 -34.950 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -32.878 37.621 -33.691 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -30.451 41.730 -38.034 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -30.193 41.822 -38.953 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -31.349 41.330 -38.074 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -27.759 32.337 -35.400 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -28.414 33.034 -35.202 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -28.294 31.522 -35.474 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -29.553 34.292 -34.750 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -29.486 34.424 -33.777 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -29.854 35.169 -35.088 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -32.174 30.623 -41.026 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -32.142 31.427 -41.595 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -31.254 30.543 -40.673 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -31.171 40.496 -33.288 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -32.093 40.790 -33.204 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -30.841 40.967 -34.092 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -33.094 35.963 -36.304 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -34.064 36.046 -36.480 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -32.818 35.224 -36.861 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -28.132 38.375 -31.514 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -28.176 38.035 -32.440 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -28.780 37.819 -31.022 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -30.727 32.790 -36.671 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -30.393 33.403 -35.982 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -30.502 31.899 -36.325 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -28.947 34.933 -32.175 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -29.328 35.635 -31.596 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -28.491 34.330 -31.552 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -26.689 34.865 -33.838 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -26.603 34.118 -34.453 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -27.519 34.687 -33.358 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -28.089 37.340 -34.030 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -27.457 36.623 -34.220 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -28.798 37.216 -34.686 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -27.822 32.857 -30.784 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -27.770 32.081 -31.354 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -27.002 32.810 -30.238 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -33.802 34.911 -43.150 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -33.855 35.842 -43.388 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -34.731 34.666 -42.921 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -28.493 32.188 -38.251 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -27.858 32.273 -37.524 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -29.322 32.549 -37.888 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -32.045 32.816 -42.682 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -32.121 32.396 -43.559 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -32.594 33.620 -42.756 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -34.705 28.277 -37.021 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -35.334 27.666 -37.454 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -34.418 28.884 -37.745 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -30.113 41.982 -35.319 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -29.337 42.546 -35.320 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -30.299 41.833 -36.273 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -30.146 28.535 -33.706 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -29.744 28.146 -32.923 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -30.511 27.757 -34.198 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -33.757 25.451 -31.629 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -34.204 25.821 -32.425 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -33.318 26.233 -31.221 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -18.368 33.901 -19.105 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -17.845 34.345 -18.408 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -18.852 34.629 -19.542 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -22.261 32.168 -25.832 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -21.573 32.437 -25.190 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -22.160 32.806 -26.573 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -16.988 35.066 -16.963 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -17.400 34.441 -16.325 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -16.056 35.085 -16.702 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -24.128 37.095 -20.458 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -24.832 36.457 -20.184 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -24.215 37.832 -19.816 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -20.543 33.033 -23.659 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -20.415 32.418 -22.907 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -19.805 33.671 -23.578 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -18.822 31.216 -19.185 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -19.382 31.124 -19.981 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -18.615 32.182 -19.149 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -24.044 30.700 -21.237 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -24.873 30.491 -20.786 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -23.679 31.454 -20.729 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -18.654 43.927 -18.617 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -17.718 44.066 -18.866 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -19.081 44.773 -18.819 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -20.364 39.535 -25.723 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -20.612 40.015 -26.529 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -19.981 38.690 -26.056 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -15.414 38.619 -20.428 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -14.615 38.397 -19.935 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -16.137 38.271 -19.876 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -17.036 37.588 -27.786 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -16.506 38.204 -27.249 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -17.887 37.530 -27.309 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -20.271 35.802 -28.697 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -19.491 35.933 -29.289 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -21.029 36.117 -29.224 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -13.754 45.921 -15.574 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -13.052 46.038 -14.927 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -14.546 45.712 -15.033 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -25.386 46.387 -26.683 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -25.542 45.845 -27.485 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -26.279 46.695 -26.429 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -28.018 47.223 -26.192 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -28.380 46.885 -27.037 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -28.783 47.664 -25.764 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -21.030 42.898 -25.389 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -20.098 42.964 -25.689 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -21.203 43.763 -24.952 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -15.828 33.775 -13.469 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -16.435 33.526 -14.205 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -16.370 34.336 -12.902 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -22.152 34.609 -22.083 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -22.528 35.393 -22.535 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -21.777 34.071 -22.809 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -23.273 33.139 -15.708 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -23.515 32.560 -16.442 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -23.757 32.767 -14.938 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -22.113 33.992 -27.905 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -22.745 34.649 -28.268 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -21.239 34.423 -28.015 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -22.545 39.035 -24.088 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -23.252 39.528 -24.523 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -21.737 39.288 -24.581 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -26.258 36.172 -31.105 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -26.725 37.023 -31.207 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -26.248 35.798 -32.004 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -32.452 33.067 -28.981 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -31.525 33.343 -29.144 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -32.948 33.913 -28.937 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -27.748 38.407 -26.392 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -26.885 37.978 -26.508 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -28.291 38.069 -27.147 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -20.724 31.357 -21.309 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -21.344 31.889 -20.765 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -21.214 30.547 -21.499 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.299 35.063 -28.586 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -26.335 35.591 -29.418 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.026 34.170 -28.885 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -16.880 47.588 -12.977 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -16.783 47.439 -12.014 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -16.528 46.762 -13.381 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -25.173 34.481 -23.030 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -24.561 33.710 -23.143 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -24.576 35.252 -22.944 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -23.539 36.751 -23.056 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -23.103 37.567 -23.405 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -23.785 36.990 -22.127 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -19.144 38.280 -19.883 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -18.374 38.183 -19.281 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -19.446 37.354 -20.031 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -23.294 38.658 -27.914 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -23.895 38.439 -27.173 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -22.931 39.528 -27.677 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -19.812 41.371 -28.300 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -20.768 41.426 -28.145 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -19.432 42.052 -27.710 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -12.691 41.277 -13.099 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -12.633 41.407 -14.048 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -12.175 40.465 -12.937 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -16.176 41.659 -27.146 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -16.524 41.286 -27.995 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -15.400 42.163 -27.411 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -26.208 48.262 -24.230 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -25.682 48.684 -24.914 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -26.897 47.782 -24.721 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -25.741 39.840 -23.915 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -25.728 40.134 -22.998 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -26.553 40.250 -24.286 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -29.943 48.686 -24.778 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -29.482 48.867 -23.950 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -29.905 49.545 -25.268 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -17.397 40.647 -29.321 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.327 40.840 -29.061 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -17.480 40.009 -30.036 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -20.658 43.396 -16.673 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -19.846 43.557 -17.191 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -20.335 43.143 -15.791 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -28.221 35.472 -16.087 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -28.283 36.208 -15.435 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -27.350 35.060 -15.896 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -17.911 36.254 -29.991 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -17.162 35.918 -30.489 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -17.501 36.753 -29.246 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -30.028 43.934 -26.627 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -30.077 43.927 -25.664 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -29.427 43.184 -26.845 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -22.925 32.460 -30.029 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -22.559 32.870 -29.220 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -22.152 32.257 -30.563 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -22.391 41.333 -27.124 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -23.112 41.891 -27.440 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -21.976 41.863 -26.399 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -24.890 37.970 -25.712 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -25.251 38.644 -25.092 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -24.601 37.250 -25.135 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -24.656 31.269 -27.039 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -24.875 30.473 -26.545 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -23.779 31.530 -26.695 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -28.224 42.019 -27.352 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -28.506 41.284 -27.950 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -27.377 42.307 -27.717 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -23.141 36.220 -29.278 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -23.897 36.206 -29.882 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -23.208 37.093 -28.829 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -20.572 32.826 -14.997 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -20.391 32.094 -15.636 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -21.474 33.128 -15.232 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -19.880 35.758 -20.555 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -20.725 35.462 -20.146 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -19.924 35.414 -21.465 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -28.691 41.102 -32.090 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -28.248 40.236 -32.039 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -29.495 40.927 -32.619 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -17.611 46.716 -19.490 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -17.530 46.887 -18.523 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -16.990 45.973 -19.651 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -28.660 32.845 -21.941 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -28.798 32.503 -22.853 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -29.548 33.155 -21.667 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -26.813 45.088 -14.101 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -26.122 45.668 -14.481 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -26.507 44.186 -14.316 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -32.117 40.647 -19.215 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -32.571 39.998 -18.640 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -31.715 40.098 -19.923 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -31.302 37.719 -32.859 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -30.939 37.415 -32.003 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -31.133 38.688 -32.864 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -28.008 37.253 -14.052 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -27.049 37.101 -13.949 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -28.270 37.676 -13.215 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -28.135 40.638 -24.979 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -28.197 41.278 -25.717 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -28.066 39.762 -25.431 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -28.430 36.334 -18.676 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -28.946 35.571 -19.007 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -28.343 36.159 -17.713 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -28.925 40.059 -29.135 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -28.481 39.872 -29.980 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -29.162 39.160 -28.791 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -25.711 34.749 -15.146 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -24.847 34.607 -15.569 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -25.533 35.425 -14.456 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -26.280 32.958 -20.686 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -25.777 33.310 -21.440 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -27.194 32.832 -21.047 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -25.958 35.420 -19.488 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -26.844 35.720 -19.204 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -26.095 34.489 -19.758 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -24.464 29.219 -17.317 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -25.170 29.789 -17.686 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -23.960 28.944 -18.087 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -25.397 36.733 -13.217 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -24.824 37.478 -12.986 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -25.773 36.442 -12.356 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -30.486 34.283 -15.080 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -29.673 34.642 -15.490 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -30.472 34.632 -14.185 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -25.029 32.392 -13.745 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -25.265 32.636 -12.824 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -25.604 32.958 -14.291 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -30.251 42.232 -30.148 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -29.702 42.152 -30.958 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -29.968 41.470 -29.600 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -35.606 45.123 -27.469 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -36.355 44.577 -27.156 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -35.523 44.890 -28.413 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.124 44.405 -19.658 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.339 44.652 -19.108 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -15.750 43.886 -20.386 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -14.004 45.343 -18.231 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -13.336 45.940 -18.581 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -13.952 45.471 -17.256 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -17.520 43.253 -14.787 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -17.084 42.435 -15.044 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -18.438 42.985 -14.593 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -16.276 39.352 -25.656 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -16.104 39.609 -24.729 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -16.187 40.191 -26.157 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -17.591 37.617 -23.959 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -17.235 37.817 -24.846 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -17.137 38.264 -23.374 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -16.276 39.753 -22.765 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -15.851 39.346 -21.974 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -16.475 40.671 -22.479 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -18.766 46.040 -21.940 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -19.722 46.176 -21.744 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -18.310 46.364 -21.137 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -19.430 37.111 -26.492 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -19.829 36.636 -27.262 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -19.366 36.436 -25.805 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -14.232 37.555 -17.657 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -13.331 37.921 -17.594 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -14.255 36.866 -16.958 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -13.861 35.843 -15.565 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -13.820 36.370 -14.739 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -13.047 35.304 -15.544 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -18.713 35.218 -23.175 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -18.389 36.096 -23.486 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -17.961 34.847 -22.698 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -16.931 37.492 -18.369 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -17.165 36.653 -17.922 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -16.017 37.676 -18.059 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -32.496 33.758 -16.837 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -31.829 33.933 -16.134 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -32.283 32.858 -17.147 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -29.547 33.779 -18.729 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -29.230 32.866 -18.909 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -29.656 33.807 -17.769 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -17.849 33.148 -15.148 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -18.831 33.146 -15.088 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -17.604 32.197 -15.085 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -35.328 32.158 -29.208 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -34.792 31.558 -29.784 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -34.673 32.551 -28.612 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -18.712 43.649 -23.292 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -18.751 44.507 -22.814 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -18.449 43.891 -24.192 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -30.910 29.277 -20.436 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -31.867 29.490 -20.499 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -30.873 28.327 -20.550 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -25.512 44.810 -17.592 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -24.528 44.765 -17.596 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -25.780 44.240 -18.341 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -20.902 46.451 -18.747 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -20.599 47.302 -19.138 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -20.686 46.543 -17.788 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -16.801 30.585 -14.761 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -16.736 30.368 -15.716 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -16.259 29.898 -14.321 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -23.052 47.059 -25.482 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -22.667 47.567 -26.204 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -23.917 46.745 -25.844 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -21.446 46.199 -21.531 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -21.453 46.256 -20.555 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -22.148 46.833 -21.815 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -19.642 48.593 -19.819 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -19.325 49.499 -19.852 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -18.829 48.054 -19.745 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -26.392 43.325 -19.707 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -26.723 44.058 -20.238 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -26.807 42.531 -20.109 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -22.695 32.819 -20.105 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -22.493 33.385 -19.337 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -22.651 33.437 -20.871 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -29.241 31.960 -24.448 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -29.470 32.495 -25.238 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -29.801 31.184 -24.519 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -33.433 30.895 -30.564 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -32.788 31.505 -30.162 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -33.007 30.609 -31.403 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -23.811 32.264 -23.540 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -23.293 31.959 -24.309 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -23.874 31.477 -22.961 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -31.549 44.344 -28.929 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -31.070 43.630 -29.401 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -31.266 44.245 -28.002 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -29.839 33.899 -29.270 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -29.829 34.806 -29.634 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -29.123 33.437 -29.760 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -25.542 32.554 -29.300 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -25.379 32.039 -28.475 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -24.673 32.533 -29.765 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -18.492 42.957 -26.433 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -17.708 42.370 -26.532 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -18.135 43.860 -26.617 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -19.836 27.689 -10.575 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -20.292 26.824 -10.564 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -20.450 28.272 -11.037 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -17.270 46.990 -16.795 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -17.005 47.838 -16.363 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -16.641 46.343 -16.447 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -27.265 38.352 -0.148 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -27.428 37.508 0.322 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -27.040 38.983 0.570 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -27.611 42.513 -3.325 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -27.579 41.570 -3.047 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -27.363 42.493 -4.275 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -26.108 33.340 -5.495 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -25.916 34.165 -5.986 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -25.289 32.828 -5.563 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -28.323 32.072 -4.557 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -28.576 31.505 -5.323 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -27.606 32.646 -4.912 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -26.127 32.131 0.626 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -27.032 31.807 0.772 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -25.725 32.124 1.526 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -26.084 34.487 -0.833 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -26.964 34.414 -1.257 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -25.967 33.624 -0.379 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -27.046 44.013 0.091 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -26.412 44.159 -0.653 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -27.927 44.162 -0.320 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -30.721 42.402 -12.157 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -30.592 42.349 -11.206 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -29.810 42.322 -12.528 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -16.650 43.366 -4.380 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -16.858 42.881 -3.548 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -15.845 42.941 -4.705 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -23.066 28.460 -3.677 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -22.293 28.317 -3.080 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -23.817 28.557 -3.063 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -14.628 41.575 2.102 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -13.739 41.372 2.454 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -15.163 40.800 2.339 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -25.046 43.059 1.782 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -25.637 42.808 2.503 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -25.629 43.531 1.150 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -26.452 39.943 1.927 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -26.513 39.715 2.880 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -26.996 40.759 1.842 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -25.359 38.076 -7.960 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -25.725 38.708 -8.597 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -25.168 38.621 -7.162 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -15.870 45.235 -13.987 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -16.549 44.592 -14.305 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -15.281 44.692 -13.411 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -11.964 41.056 2.687 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -11.652 41.085 3.620 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -11.653 40.181 2.362 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -19.394 42.991 -1.066 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -18.509 42.768 -1.426 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -19.439 42.496 -0.223 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -26.305 42.682 -9.394 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -26.798 43.168 -10.085 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -25.594 43.294 -9.141 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -29.145 44.114 -1.631 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -28.660 43.504 -2.228 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -29.510 44.780 -2.218 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -27.838 29.217 -1.528 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -26.886 28.987 -1.577 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -28.054 29.129 -0.579 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -22.830 31.056 -12.004 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -21.967 30.917 -12.464 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -23.480 31.102 -12.726 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -25.558 35.459 -7.240 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -26.349 35.287 -7.787 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -25.371 36.417 -7.388 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -23.544 32.510 -2.194 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -23.521 31.751 -1.577 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -22.974 32.226 -2.946 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -28.693 34.165 -1.792 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -28.568 34.242 -2.746 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -29.539 33.660 -1.702 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -26.908 36.037 -10.990 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -27.210 35.654 -10.139 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -27.466 36.836 -11.105 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -27.654 34.515 -8.770 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -27.199 33.641 -8.793 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -28.494 34.332 -8.332 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -27.924 42.232 1.945 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -28.812 42.551 2.126 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -27.602 42.816 1.221 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -26.058 30.775 -3.552 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -26.921 31.191 -3.744 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -25.792 31.160 -2.706 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -17.345 40.542 0.150 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -18.225 40.716 0.538 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -16.909 39.971 0.798 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -27.691 39.846 -2.481 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -28.533 39.468 -2.748 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -27.444 39.336 -1.679 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -24.690 37.570 -0.680 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -24.263 38.328 -0.238 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -25.642 37.790 -0.659 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -16.890 42.216 -1.906 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -17.005 41.521 -1.210 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -15.953 42.483 -1.822 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -28.209 38.434 -11.501 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -27.518 38.977 -11.052 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -28.964 39.029 -11.573 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -22.019 42.534 -1.804 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -22.389 42.341 -0.927 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -21.069 42.685 -1.634 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -25.260 45.395 -9.867 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -24.673 45.854 -10.504 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -24.731 45.349 -9.044 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -21.146 36.055 0.260 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -21.624 36.633 0.889 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -20.238 36.055 0.586 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -16.832 46.612 -10.317 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -17.730 46.253 -10.220 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -16.636 47.010 -9.441 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -30.875 32.640 -1.383 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -31.040 32.335 -0.469 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -30.772 31.814 -1.895 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -26.293 39.996 -10.255 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -26.394 40.913 -9.908 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -25.492 40.036 -10.798 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -21.673 31.682 -7.666 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -21.300 31.509 -6.795 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -22.501 32.176 -7.480 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -26.178 32.219 -8.922 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -26.267 31.261 -8.813 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -25.381 32.446 -8.396 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -25.618 42.526 -14.142 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -25.004 42.010 -14.706 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -25.020 43.001 -13.513 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -25.873 33.478 -11.392 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -26.163 33.002 -10.586 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -26.285 34.363 -11.310 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -12.032 40.806 -0.261 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -12.152 41.068 0.665 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.141 41.149 -0.494 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -29.948 30.501 -2.891 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -29.445 31.091 -3.491 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -29.252 29.993 -2.417 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -27.227 44.401 -11.451 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -26.597 44.888 -10.870 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -27.073 44.783 -12.343 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -18.577 40.025 3.491 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -18.596 40.045 4.478 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -17.633 39.892 3.275 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -23.856 39.709 0.996 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -23.454 40.595 0.914 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -24.780 39.888 1.287 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -19.488 37.585 2.617 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -19.269 38.486 2.924 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -20.457 37.602 2.502 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -27.124 35.989 1.296 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -26.534 35.570 0.636 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -27.873 35.361 1.379 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -22.276 37.746 2.136 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -22.921 37.318 2.714 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -22.788 38.465 1.697 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -23.904 30.686 -0.186 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -24.664 31.223 0.123 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -23.190 30.887 0.458 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -23.355 33.869 1.089 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -22.660 33.181 1.102 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -24.002 33.561 1.738 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -26.577 32.322 5.190 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -26.332 33.273 5.271 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -26.126 31.896 5.957 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -21.771 31.594 1.340 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -21.644 31.535 2.317 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -20.997 31.147 0.976 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -21.433 31.164 3.977 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -21.898 31.297 4.832 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -20.654 30.603 4.209 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -28.375 28.733 1.141 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -28.876 28.881 1.971 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -27.467 28.512 1.453 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -24.022 43.889 -12.423 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -23.619 43.634 -11.571 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -23.955 44.866 -12.433 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -28.129 42.303 -12.975 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -27.876 43.024 -12.358 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -27.326 42.170 -13.521 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -14.237 42.998 -2.106 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -13.290 43.049 -2.367 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -14.227 43.188 -1.135 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -14.712 40.399 -9.225 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -14.243 41.253 -9.313 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -14.968 40.368 -8.297 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -13.566 40.117 -2.362 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -13.120 40.368 -1.518 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -14.038 40.922 -2.625 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -18.430 43.538 -6.483 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -18.389 44.520 -6.489 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -17.867 43.284 -5.727 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -30.796 31.892 1.299 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -30.058 31.500 1.799 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -31.492 31.191 1.307 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -25.694 44.136 -2.222 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -26.396 43.601 -2.645 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -24.916 44.005 -2.799 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -22.580 42.281 1.015 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -22.033 43.053 1.201 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -23.491 42.562 1.285 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -19.788 41.299 1.258 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -19.519 40.905 2.116 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -20.759 41.244 1.265 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -15.773 46.794 -0.087 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -16.700 46.998 -0.243 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -15.443 46.503 -0.952 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -24.939 39.565 -5.679 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -25.546 39.832 -4.981 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -24.120 40.066 -5.489 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -23.641 43.275 -3.828 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -23.531 42.488 -4.398 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -23.099 43.065 -3.030 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -21.935 31.850 -4.276 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -22.552 31.282 -4.779 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -21.049 31.536 -4.535 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -32.090 44.434 -13.372 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -33.001 44.127 -13.500 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -31.656 43.702 -12.873 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -23.901 33.309 -7.704 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -23.586 33.372 -8.639 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -24.326 34.180 -7.535 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -18.217 46.221 -6.473 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -17.968 46.374 -5.539 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -17.588 46.774 -6.981 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -25.110 28.610 -1.457 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -24.692 29.356 -0.974 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -24.440 27.885 -1.402 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -30.342 45.113 -15.387 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -30.851 44.867 -14.587 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -29.441 45.259 -15.062 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -14.356 43.740 0.492 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -14.416 44.466 1.148 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -14.475 42.923 1.033 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -21.474 35.061 9.591 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -20.868 34.400 9.991 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -21.723 34.662 8.734 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -15.660 32.113 14.403 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -16.548 32.068 14.815 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -15.403 31.169 14.279 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -15.367 41.159 9.115 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -15.762 41.998 8.871 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -16.093 40.512 9.013 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -14.136 32.843 16.569 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -14.702 33.389 17.159 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -14.683 32.716 15.762 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -20.824 34.874 16.308 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -20.003 34.890 15.767 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -21.318 35.673 16.022 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -23.974 36.052 10.285 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -23.021 35.850 10.175 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -24.414 35.473 9.632 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -15.599 34.448 18.232 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -16.423 33.967 18.457 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -15.916 35.271 17.797 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -27.576 34.666 15.554 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -28.135 35.124 16.191 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -27.737 35.147 14.704 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -18.720 36.072 9.312 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -18.310 35.282 8.890 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -19.513 35.721 9.750 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -24.672 31.337 15.013 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -24.134 32.109 15.299 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -25.596 31.660 15.052 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -17.220 39.112 8.725 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -17.920 38.506 9.014 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -16.398 38.589 8.824 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -25.319 39.622 6.895 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -24.529 40.139 7.091 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -25.407 39.027 7.650 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -22.681 34.941 5.169 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -22.149 34.553 4.465 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -22.331 34.532 5.988 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -15.349 38.479 13.724 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -15.600 38.681 14.645 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -14.649 39.143 13.514 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -19.495 33.233 9.997 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -19.369 32.414 10.482 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -19.240 33.007 9.069 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -19.262 36.516 18.068 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -19.892 36.012 17.527 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -19.563 36.361 18.987 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -25.228 36.786 12.600 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -24.815 36.540 11.737 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -24.620 37.467 12.970 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -16.515 36.549 7.036 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -17.308 37.065 6.820 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -16.866 35.645 7.233 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -11.457 43.681 1.675 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -10.602 43.796 2.150 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -11.825 42.861 2.049 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -20.352 35.618 20.414 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -20.160 35.946 21.299 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -20.072 34.673 20.444 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -17.897 32.310 16.026 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -17.769 32.452 16.992 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -18.096 33.206 15.678 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -23.492 29.370 3.402 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -23.017 28.603 3.797 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -22.837 30.092 3.444 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -27.790 36.377 13.459 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -26.896 36.533 13.073 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -28.381 36.886 12.897 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -24.785 34.387 8.237 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -23.949 33.917 8.097 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -25.091 34.609 7.331 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -21.830 33.524 7.354 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -20.890 33.220 7.452 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -22.295 32.735 6.993 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -22.713 35.935 18.788 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -23.374 35.399 19.240 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -21.942 35.921 19.389 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -24.884 31.823 2.988 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -24.453 30.957 3.133 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -25.395 31.974 3.805 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -29.473 29.399 13.014 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -28.995 29.426 13.866 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -28.763 29.302 12.349 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -29.153 31.187 8.475 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -29.771 31.386 9.189 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -28.403 31.809 8.630 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -18.226 34.972 15.186 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -17.703 35.474 15.846 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -17.799 35.193 14.330 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -25.002 29.783 9.609 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -25.632 29.590 10.318 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -24.246 29.184 9.793 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -27.118 32.955 8.981 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -26.482 33.693 8.883 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -26.950 32.614 9.896 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -25.390 34.779 5.584 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -24.436 34.864 5.356 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -25.829 35.475 5.035 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -26.357 36.693 3.929 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -26.508 37.644 4.087 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -26.620 36.559 2.994 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -16.067 39.215 16.388 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.802 39.843 16.380 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -15.379 39.660 16.899 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -19.403 37.195 6.948 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -20.178 36.714 6.635 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -19.223 36.809 7.837 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -22.780 36.871 16.176 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -22.795 36.733 17.150 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -23.619 36.468 15.865 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -14.774 37.751 8.774 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -15.282 37.224 8.113 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -14.073 38.175 8.254 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -16.559 36.032 13.161 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -16.093 36.852 13.440 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -16.811 36.205 12.244 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -13.061 40.107 10.169 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -12.586 39.858 9.350 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -13.886 40.535 9.843 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -11.642 46.384 1.565 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -11.001 46.719 2.205 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -11.552 45.403 1.625 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -27.277 31.912 15.715 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -27.470 32.874 15.641 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -27.023 31.789 16.650 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -23.035 31.394 6.217 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -22.635 30.571 6.604 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -23.956 31.389 6.554 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -25.448 31.422 7.500 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -25.180 30.752 8.179 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -26.086 31.993 7.975 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -14.673 29.550 14.413 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -14.086 29.694 15.183 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -14.337 28.741 14.007 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -14.523 34.090 12.821 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -14.867 33.308 13.302 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -15.225 34.760 12.928 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -26.999 28.991 11.781 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -26.153 29.207 12.242 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -27.207 28.081 12.085 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -16.145 44.436 5.629 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -16.709 43.823 5.144 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -16.727 45.165 5.862 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -18.464 39.654 6.218 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -18.933 38.801 6.340 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -17.964 39.765 7.046 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -24.906 35.558 15.054 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -24.985 35.941 14.151 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -25.818 35.284 15.275 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -26.793 39.388 4.589 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -27.648 39.673 4.930 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -26.189 39.456 5.366 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -23.395 33.531 15.995 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -23.893 34.289 15.609 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.468 33.836 16.005 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -23.446 38.376 13.949 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -23.089 37.922 14.741 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -23.049 39.249 13.979 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -23.939 32.511 18.453 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -24.720 31.920 18.459 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -23.908 32.857 17.536 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -21.297 33.111 18.491 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -22.268 33.082 18.645 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -21.170 33.881 17.903 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -19.454 33.033 20.794 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -18.995 32.383 21.362 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -20.256 32.557 20.491 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -25.148 28.921 16.138 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -24.686 28.245 15.569 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -24.882 29.781 15.742 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -26.112 30.784 18.020 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -26.979 30.491 18.380 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -25.789 30.011 17.516 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -13.396 40.175 12.882 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -12.797 40.878 13.150 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -13.278 40.119 11.904 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -16.815 36.563 16.971 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -17.678 36.688 17.437 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -16.530 37.471 16.749 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -13.950 33.286 20.177 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -13.020 33.528 20.098 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -14.403 33.843 19.513 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -26.567 31.685 11.289 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -26.958 30.809 11.470 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -25.671 31.623 11.652 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -31.915 28.312 12.689 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -31.056 28.796 12.790 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -32.528 28.802 13.248 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -24.667 29.617 12.908 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -24.532 30.288 13.609 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -24.244 28.803 13.273 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -17.699 32.706 18.717 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -18.388 32.927 19.382 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -17.090 32.102 19.197 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -29.332 28.900 3.728 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -29.039 29.593 4.352 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -30.279 28.784 3.928 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -28.801 30.722 5.766 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -28.873 30.866 6.738 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -28.017 31.247 5.504 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -22.054 29.220 7.388 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -21.941 28.338 6.957 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -22.345 29.007 8.288 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -28.619 29.938 18.830 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -29.318 30.418 19.292 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -29.064 29.129 18.501 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -23.556 27.949 18.152 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -24.327 28.068 17.553 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -23.924 27.482 18.931 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -18.143 30.698 21.617 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -17.909 30.036 22.277 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -17.309 30.844 21.117 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -30.007 46.885 -18.788 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -30.499 47.054 -17.955 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -29.059 46.950 -18.524 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -23.413 47.647 -22.808 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -23.274 47.527 -23.768 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -24.328 47.958 -22.740 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -32.590 51.399 -25.233 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -32.735 50.480 -24.927 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -33.366 51.875 -24.928 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -22.796 44.746 -17.677 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -22.235 45.379 -18.170 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -22.150 44.203 -17.169 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -27.413 46.839 -17.850 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -26.831 47.579 -17.650 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -26.861 46.048 -17.670 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -26.384 45.009 -28.836 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -26.344 44.850 -29.782 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -27.298 45.334 -28.685 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -32.744 48.713 -24.401 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -31.787 48.557 -24.552 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -33.189 48.092 -25.022 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -22.741 48.201 -13.742 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -21.819 48.411 -13.962 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -23.150 49.077 -13.547 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -19.976 46.964 -16.224 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -19.018 46.938 -16.416 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -20.028 47.338 -15.324 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.681 46.669 -15.055 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.352 46.159 -15.811 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -23.874 47.080 -14.672 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -26.267 48.513 -13.762 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -25.743 47.912 -14.333 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -26.872 47.927 -13.298 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -32.383 47.773 -19.843 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -32.721 47.952 -18.951 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -31.433 47.561 -19.697 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -32.999 45.267 -20.764 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -33.842 45.443 -21.221 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -32.694 46.155 -20.479 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -21.427 45.309 -24.156 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -21.511 45.547 -23.205 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -22.075 45.896 -24.607 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -17.378 45.394 -26.628 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -16.802 46.073 -26.987 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -17.904 45.863 -25.937 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -28.988 45.803 -28.397 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -29.364 45.149 -27.768 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -29.690 45.928 -29.054 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -29.967 51.181 -25.854 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -30.916 51.380 -25.675 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -29.627 51.988 -26.251 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -18.935 46.393 -24.665 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -18.722 46.486 -23.715 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -19.869 46.104 -24.672 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -30.935 44.287 -19.068 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -31.580 44.455 -19.782 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -30.442 45.130 -18.992 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -31.808 47.008 -16.731 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -31.296 46.266 -16.345 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -32.350 47.327 -15.990 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -16.555 49.092 -15.255 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -15.942 49.815 -15.105 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -16.650 48.669 -14.374 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -19.144 49.614 -10.769 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -19.444 50.008 -11.599 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -19.323 48.653 -10.882 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -23.848 44.658 -7.597 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -22.990 44.518 -8.032 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -23.613 44.937 -6.698 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -16.354 47.778 -7.821 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -16.528 48.688 -8.167 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -15.603 47.890 -7.221 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -26.741 42.708 -6.020 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -26.047 43.365 -6.162 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -26.919 42.358 -6.903 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -24.339 50.343 -13.117 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -25.081 49.743 -13.360 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -24.754 51.023 -12.581 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -19.695 48.027 -13.614 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -19.954 47.555 -12.796 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -18.720 48.040 -13.579 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -20.843 49.300 -8.538 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -20.207 49.572 -9.224 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -20.365 49.409 -7.711 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -22.163 47.111 -9.480 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -21.960 47.977 -9.056 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -21.874 46.447 -8.813 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -17.033 50.114 -9.063 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -16.800 51.034 -9.223 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -17.752 49.933 -9.708 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -21.969 45.008 -5.159 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -22.660 44.508 -4.677 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -21.178 44.939 -4.579 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -17.323 45.955 -3.811 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -16.494 46.246 -3.398 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -17.151 45.019 -4.055 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -14.171 47.220 -5.080 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -14.000 48.091 -4.711 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -14.353 46.660 -4.300 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -34.688 45.147 -14.715 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -35.567 45.504 -15.002 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -34.148 45.948 -14.547 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -21.026 45.343 -7.690 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -20.065 45.418 -7.602 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -21.349 45.303 -6.760 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -19.811 44.620 -3.471 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -19.051 45.230 -3.517 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -19.736 44.211 -2.590 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -19.982 47.003 -11.086 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -20.836 47.071 -10.604 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -19.667 46.096 -10.879 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -23.553 46.500 -11.723 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.007 46.781 -10.956 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -23.294 47.117 -12.441 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -11.936 2.461 -2.413 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -11.161 2.874 -1.962 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -11.598 2.207 -3.279 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -11.346 6.684 -3.005 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -11.565 7.484 -3.499 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -10.679 6.225 -3.572 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -16.304 -4.112 -5.119 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -15.947 -3.527 -5.833 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -15.880 -4.963 -5.281 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -0.360 5.649 0.403 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -0.452 6.464 0.934 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 0.017 5.960 -0.439 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -15.852 -2.043 -3.303 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -16.026 -2.803 -3.893 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -14.904 -1.892 -3.385 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -5.637 4.890 0.734 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -6.404 4.447 0.328 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -5.175 5.296 -0.009 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -10.087 3.999 -1.162 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -10.288 4.881 -0.795 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -9.242 3.749 -0.733 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -10.624 0.426 0.497 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -9.717 0.257 0.165 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -10.797 -0.322 1.114 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -7.802 3.066 0.078 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -7.435 2.870 0.968 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -7.869 2.195 -0.345 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -10.878 6.580 -0.318 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -11.062 6.614 -1.285 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -10.543 7.476 -0.109 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -1.753 6.112 3.655 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -2.534 6.124 4.250 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -1.785 5.228 3.231 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -17.572 -0.172 -2.453 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -16.856 -0.820 -2.678 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -18.339 -0.474 -2.989 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 1.669 8.796 3.133 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 1.922 9.366 2.373 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 2.200 9.145 3.872 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -4.390 3.611 2.781 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -4.770 4.192 2.083 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -3.422 3.623 2.599 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -9.451 5.500 -4.582 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -9.152 5.407 -5.494 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -8.880 4.905 -4.082 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -7.959 -0.035 0.038 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -7.727 -0.776 -0.535 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -7.390 -0.157 0.828 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -1.712 3.858 2.063 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -1.225 4.434 1.428 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -1.396 2.952 1.852 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -3.730 13.051 -0.508 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -3.336 13.517 -1.274 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -2.985 12.944 0.117 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -0.593 7.918 1.951 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -1.071 7.328 2.574 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 0.228 8.167 2.440 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 0.802 11.915 -1.647 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 1.416 11.541 -2.313 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 0.427 11.130 -1.204 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -0.827 1.290 1.399 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -0.276 0.794 2.012 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -0.671 0.873 0.546 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -6.753 2.211 2.466 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -5.872 2.637 2.559 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -6.558 1.246 2.497 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -8.514 -2.086 3.213 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -9.354 -1.813 2.785 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -8.578 -3.056 3.253 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -9.995 -4.456 2.303 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -9.892 -5.215 1.721 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -10.942 -4.463 2.542 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -11.669 11.509 -6.263 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -11.445 10.616 -6.532 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -12.582 11.428 -5.899 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -14.212 11.116 -5.306 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -14.590 11.267 -4.413 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -14.962 11.278 -5.911 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -13.150 4.908 -1.893 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -12.585 5.617 -2.262 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -12.613 4.097 -1.997 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -18.847 -4.047 -4.059 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -17.995 -4.089 -4.549 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -18.647 -4.452 -3.204 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -15.075 3.570 -3.240 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -15.143 4.114 -4.037 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -14.396 4.025 -2.696 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -10.390 9.239 0.342 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -10.537 9.716 -0.504 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -9.830 9.845 0.854 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -1.754 12.643 1.315 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -1.406 11.745 1.202 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -1.127 13.210 0.817 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -8.587 11.705 0.479 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -9.214 11.641 -0.264 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -7.769 12.066 0.069 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -6.391 12.731 -0.857 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -5.410 12.651 -0.813 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -6.560 13.089 -1.762 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 0.143 9.496 -0.234 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 0.370 8.774 -0.857 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -0.243 9.026 0.538 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 0.833 7.196 -1.709 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 1.694 6.813 -1.903 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 0.599 7.692 -2.533 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -12.429 12.759 -2.427 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -12.354 13.702 -2.693 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -13.094 12.391 -3.035 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -10.408 11.101 -1.666 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -11.164 11.709 -1.850 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -9.942 11.045 -2.510 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -11.210 4.776 15.762 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -10.771 5.167 14.977 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -10.952 3.826 15.730 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -9.755 6.202 13.884 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -9.935 7.112 14.195 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -8.807 6.060 14.102 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -5.144 8.616 16.147 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -5.019 9.376 15.538 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -5.234 9.036 17.034 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -7.120 6.262 14.766 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -6.374 6.841 14.569 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -7.064 6.121 15.731 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -7.916 5.680 10.986 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -7.079 5.719 10.468 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -7.622 5.620 11.903 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -12.645 5.868 9.181 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -12.053 5.729 8.434 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -12.052 5.821 9.969 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -3.402 8.169 10.675 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -3.262 8.316 11.631 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -2.577 8.514 10.256 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -9.358 1.462 7.346 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -9.314 0.780 6.646 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -8.976 2.258 6.928 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -10.351 2.155 15.586 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -9.939 1.680 16.316 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -10.333 1.531 14.854 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -5.481 6.084 9.734 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -4.712 6.576 10.074 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -5.125 5.578 8.972 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -11.155 6.984 17.394 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -10.358 7.007 17.978 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -11.092 6.116 16.934 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -9.552 -0.063 4.987 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -9.016 -0.806 4.654 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -9.537 0.593 4.251 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -10.152 8.565 15.368 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -9.407 9.015 15.799 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -10.522 7.992 16.072 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -4.851 8.897 8.457 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -5.727 8.538 8.647 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -4.321 8.672 9.254 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -3.725 6.739 5.428 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -3.619 7.659 5.746 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -4.623 6.722 5.034 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -4.796 4.997 7.261 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -4.159 5.551 6.763 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -5.095 4.334 6.608 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -13.602 5.466 17.153 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -12.967 5.027 16.552 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -13.039 5.925 17.793 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -8.833 3.729 5.855 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -7.945 4.083 6.031 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -9.340 4.508 5.536 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -11.847 2.049 8.164 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -11.821 2.471 9.029 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -10.918 1.738 8.020 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -6.235 6.382 4.479 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -6.192 5.423 4.319 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -6.698 6.456 5.345 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -11.045 -1.536 2.336 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -11.507 -1.168 3.119 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -11.380 -2.449 2.271 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -10.678 5.573 11.101 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -9.734 5.440 10.868 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -10.659 5.744 12.059 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -9.285 9.981 17.757 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -8.835 10.555 18.416 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -9.212 9.081 18.136 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -12.663 9.249 17.890 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -13.399 8.970 17.309 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -12.052 8.484 17.879 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -11.449 2.687 5.412 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -11.702 2.536 6.341 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -10.493 2.881 5.456 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -7.249 6.299 6.954 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -7.669 6.742 7.730 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -6.442 5.884 7.324 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -12.655 -4.043 2.995 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -13.336 -4.593 2.528 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -12.791 -4.245 3.929 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -13.940 10.642 19.868 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -13.352 10.161 19.242 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -13.895 10.116 20.692 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -0.175 7.307 5.545 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 0.695 6.986 5.287 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -0.788 6.857 4.925 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -9.471 1.546 2.801 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -8.573 1.908 2.667 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -9.811 1.405 1.898 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -5.945 3.664 5.032 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -6.583 2.978 4.785 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -5.254 3.611 4.334 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -6.468 -0.510 2.380 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -5.666 -0.998 2.603 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -7.197 -1.056 2.765 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -12.720 9.626 14.897 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -11.897 9.166 14.651 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -13.309 8.906 15.225 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -1.253 9.279 9.387 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -1.291 9.317 8.411 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -0.373 9.641 9.603 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -15.981 8.223 21.011 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -15.883 7.361 20.550 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -16.403 8.800 20.346 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -6.572 6.704 17.523 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -6.049 7.352 17.011 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -6.204 6.766 18.430 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -4.405 5.401 20.454 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -3.968 5.357 19.573 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -3.965 4.719 20.968 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -8.901 7.473 18.765 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -8.599 7.818 19.633 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -8.091 7.087 18.365 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -4.639 10.986 14.852 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -5.395 11.567 14.614 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -3.844 11.498 14.562 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -3.104 5.239 18.025 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -3.020 5.893 17.298 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -2.627 4.469 17.703 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -8.376 9.003 21.019 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -9.100 9.167 21.631 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -8.197 9.881 20.615 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -15.359 28.740 -13.148 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -15.774 27.877 -13.051 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -14.460 28.618 -12.768 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -3.984 20.058 -7.826 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -4.493 20.768 -7.377 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -4.253 20.138 -8.774 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -3.017 19.205 -4.015 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -2.126 19.019 -3.646 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -2.850 19.438 -4.935 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -10.493 18.793 -9.463 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -11.190 18.136 -9.564 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -9.679 18.258 -9.320 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -13.890 21.632 -7.491 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -14.306 22.455 -7.141 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -13.119 21.951 -7.991 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 1.889 15.119 -0.339 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 0.905 15.122 -0.259 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 2.049 14.948 -1.277 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -8.687 15.338 -6.518 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -7.779 15.057 -6.767 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -8.912 16.013 -7.185 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -0.365 16.666 -4.494 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -0.197 15.961 -3.839 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -0.371 17.489 -3.960 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -14.399 16.962 -5.257 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -13.421 16.856 -5.298 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -14.582 17.718 -5.855 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -4.656 17.525 -6.868 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -3.788 17.103 -6.677 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -4.419 18.385 -7.282 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 2.372 12.723 4.380 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 2.252 13.631 4.726 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 2.252 12.821 3.412 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -5.590 22.213 -7.162 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -6.450 22.020 -6.717 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -5.845 22.478 -8.071 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -2.467 16.097 -6.183 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -1.764 16.380 -5.558 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -1.984 15.591 -6.871 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -12.126 17.504 -1.077 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.677 18.354 -0.956 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -11.418 16.839 -0.914 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -11.629 22.888 -8.766 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -10.780 23.285 -9.081 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -12.161 23.667 -8.489 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -2.268 27.237 -0.706 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -1.390 27.249 -0.274 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -2.600 28.136 -0.585 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -6.636 13.848 -3.336 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -5.859 14.069 -3.884 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -7.228 14.621 -3.440 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -1.339 23.099 -0.937 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -0.650 23.499 -1.511 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -0.922 23.059 -0.054 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -0.865 19.241 2.917 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 0.068 19.455 2.708 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -1.346 19.486 2.122 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -1.760 21.711 -7.655 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -1.102 21.334 -8.246 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -2.507 21.082 -7.694 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 1.166 20.032 -0.668 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 2.033 19.589 -0.798 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 1.101 20.139 0.303 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 1.028 16.286 -6.822 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 1.960 16.250 -6.583 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 0.573 16.506 -5.980 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -10.130 20.830 -7.547 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -10.701 21.553 -7.868 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -10.306 20.095 -8.165 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -10.962 21.137 -10.877 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -10.746 20.273 -10.469 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -11.422 21.626 -10.170 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 4.007 24.285 0.796 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 3.368 23.839 0.209 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 4.163 23.638 1.510 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -5.476 29.266 -7.724 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -4.708 28.752 -7.398 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -5.203 30.190 -7.611 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -1.532 26.483 -5.244 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -0.582 26.304 -5.061 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -1.828 25.686 -5.740 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 2.250 18.029 4.505 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 2.971 18.572 4.127 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 1.709 18.672 5.006 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -8.078 16.084 -3.927 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -8.365 15.839 -4.831 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -7.414 16.792 -4.070 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -5.865 14.513 1.213 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -4.976 14.345 1.584 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -5.940 13.877 0.475 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -6.208 17.998 -4.639 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -5.634 17.785 -5.407 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -5.615 18.448 -4.019 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -5.055 20.726 -10.206 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -5.309 21.662 -10.059 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -5.717 20.396 -10.819 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -13.444 14.267 -7.955 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -13.153 13.817 -8.752 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -12.643 14.296 -7.388 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -4.358 14.629 -4.769 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -3.825 15.261 -5.298 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -3.848 14.532 -3.932 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -8.266 18.614 -6.405 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -8.465 19.564 -6.382 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -7.598 18.491 -5.700 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -8.085 21.917 -6.168 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -8.276 22.882 -6.139 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -8.856 21.535 -6.642 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 0.678 24.430 -2.264 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 1.302 23.927 -1.696 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 0.828 25.369 -2.016 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -6.206 23.181 -9.705 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -6.536 23.334 -10.615 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -6.421 24.011 -9.231 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 1.558 20.230 2.104 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 1.495 20.969 2.744 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 2.446 19.850 2.271 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -0.589 18.839 -2.687 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -0.748 18.006 -2.177 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 0.004 19.363 -2.109 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -4.442 24.690 -6.726 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -3.471 24.599 -6.798 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -4.768 23.767 -6.726 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -8.438 24.590 -6.411 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -9.109 25.263 -6.606 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -7.736 24.762 -7.069 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -7.685 28.579 -6.148 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -7.239 28.766 -5.298 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -7.032 28.854 -6.821 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -3.330 21.246 -2.187 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -3.260 20.477 -2.792 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -2.433 21.351 -1.829 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 0.237 27.522 0.682 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 0.267 26.811 1.356 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 0.640 28.289 1.127 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -8.424 17.137 -8.648 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -8.283 17.748 -7.885 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -7.599 16.625 -8.698 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -0.865 14.838 -8.038 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -0.734 14.926 -8.988 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -0.082 15.298 -7.643 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -7.089 23.594 -12.312 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -6.699 23.331 -13.152 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.040 23.340 -12.397 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -6.189 15.335 -7.610 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -5.536 14.631 -7.693 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -5.668 16.112 -7.310 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -3.693 12.276 -5.996 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -4.043 13.094 -5.585 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -4.161 11.566 -5.545 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -9.360 26.980 -7.709 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -8.619 26.656 -8.242 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -8.940 27.605 -7.076 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -9.738 23.012 -12.402 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -10.425 23.381 -12.972 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -10.175 22.237 -11.967 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 1.047 25.795 -4.595 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 0.877 25.093 -3.925 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 1.539 26.472 -4.105 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -11.708 16.609 -5.266 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -10.931 17.150 -5.467 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -11.533 15.756 -5.727 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -1.944 15.689 4.689 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -1.966 16.652 4.869 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -1.528 15.308 5.497 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -0.007 15.299 2.680 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -0.399 15.299 1.774 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -0.766 15.489 3.270 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -8.553 13.453 3.099 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -8.175 14.348 3.214 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -8.504 13.294 2.142 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -3.459 14.410 2.662 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -2.862 13.761 2.233 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -2.953 14.721 3.441 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.546 25.495 -8.237 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -5.768 25.355 -7.646 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.275 26.241 -8.816 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -9.433 24.105 -9.812 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -9.516 23.672 -10.680 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -8.872 24.882 -9.990 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 1.073 27.131 -1.930 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 0.868 27.301 -0.985 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 1.698 27.860 -2.178 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 2.789 27.329 2.751 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 3.619 27.232 2.238 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 2.495 28.246 2.558 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 0.710 25.579 2.740 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 0.559 25.312 3.666 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 1.523 26.132 2.781 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 1.894 22.825 -0.389 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 1.315 22.880 0.400 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 1.789 21.903 -0.697 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 0.069 23.121 1.647 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 0.222 22.611 2.460 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 0.236 24.052 1.914 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 2.348 10.985 -3.786 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 1.965 11.718 -4.329 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 3.253 10.905 -4.105 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 0.764 20.053 5.809 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 0.784 20.614 6.619 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -0.059 19.542 5.895 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 4.050 19.713 3.216 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 4.407 20.622 3.233 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 4.774 19.175 2.827 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 1.207 13.050 -5.064 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 0.846 13.616 -4.352 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 0.431 12.848 -5.627 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 0.212 14.311 -2.823 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.162 14.944 -2.163 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 0.401 13.496 -2.295 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -12.580 15.498 -2.898 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -12.247 15.872 -3.741 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -12.482 16.234 -2.255 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -15.528 17.224 -2.786 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -15.145 17.087 -3.684 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -14.809 17.622 -2.280 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 3.377 10.224 4.701 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 4.175 10.119 4.170 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 3.126 11.169 4.573 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -1.692 24.301 -6.886 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -1.803 23.347 -7.113 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -0.747 24.481 -7.089 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 2.262 10.627 1.202 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 1.611 10.328 0.538 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 2.084 11.582 1.301 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -1.817 31.030 -2.789 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -1.492 30.157 -3.100 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -2.040 30.879 -1.843 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -2.642 14.386 -2.699 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -2.266 15.233 -2.376 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -1.866 13.876 -2.980 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 0.568 8.837 -3.844 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 1.228 9.555 -3.794 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 0.013 9.079 -4.618 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -0.682 9.863 -6.067 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -0.728 10.836 -6.181 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -1.025 9.513 -6.892 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -11.157 14.197 -6.443 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -11.194 13.217 -6.328 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -10.195 14.400 -6.460 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -1.049 12.542 -6.535 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -2.015 12.447 -6.360 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -0.993 13.282 -7.175 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -12.929 27.996 -11.842 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -12.740 27.724 -10.926 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -12.126 27.744 -12.330 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -10.314 26.834 -11.914 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -10.750 26.788 -11.042 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -9.393 26.558 -11.733 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -3.563 9.437 6.153 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -2.600 9.548 6.357 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -3.981 9.295 7.038 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 4.403 30.501 9.066 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 3.467 30.256 8.912 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 4.614 31.097 8.327 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 0.508 21.893 7.830 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 0.890 22.512 8.490 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -0.320 22.340 7.536 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -1.651 14.446 12.485 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -2.072 14.465 11.601 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -0.826 13.947 12.340 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -12.123 23.071 14.902 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -11.467 23.612 15.355 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -12.791 23.706 14.601 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -0.069 10.868 14.006 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -0.578 10.303 14.634 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 0.851 10.723 14.253 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -0.719 24.117 13.112 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -1.523 24.374 12.614 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -0.574 23.179 12.867 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -2.476 12.278 13.938 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -1.609 11.827 13.971 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -2.294 13.109 13.455 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -1.723 23.194 7.105 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -2.211 23.890 6.612 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.376 22.876 7.759 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -1.840 21.475 14.787 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.933 20.529 15.021 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -1.315 21.464 13.962 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -4.344 23.323 17.643 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -3.511 23.670 17.246 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -4.086 22.445 18.003 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -8.425 24.280 19.784 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -8.770 25.172 19.549 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -9.229 23.771 20.036 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 1.177 10.592 9.427 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 2.067 10.243 9.548 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 1.141 10.826 8.476 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 2.180 25.382 7.676 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 2.027 24.604 8.245 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 2.076 26.148 8.292 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -2.310 24.050 16.057 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -1.993 24.815 15.550 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -1.908 23.280 15.608 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -5.308 9.741 18.607 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -5.573 9.066 19.269 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -5.466 10.599 19.060 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -1.745 18.451 5.343 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -2.664 18.807 5.372 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -1.403 18.745 4.464 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -5.456 16.487 16.752 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -6.398 16.329 16.531 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -5.277 17.386 16.408 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -2.541 18.786 15.389 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -2.413 17.896 14.982 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -3.510 18.854 15.502 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -1.521 9.350 15.744 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -1.995 9.943 16.377 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -1.654 8.458 16.111 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -11.596 20.567 19.379 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -11.068 19.936 18.835 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -12.409 20.691 18.875 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -3.621 20.664 18.085 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -2.699 20.330 18.179 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -3.962 20.197 17.307 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -5.987 19.714 19.206 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -6.335 20.630 19.304 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -5.030 19.844 19.061 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.176 20.184 9.891 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -0.442 19.348 9.462 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 0.139 20.739 9.153 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -4.536 21.687 15.317 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -3.585 21.755 15.087 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -4.662 22.364 16.006 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -0.239 21.462 12.394 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 0.696 21.309 12.574 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -0.381 21.051 11.509 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 1.896 31.803 3.886 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 1.602 31.925 4.819 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 2.183 32.688 3.615 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 1.038 23.849 9.689 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 0.282 24.448 9.491 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.376 24.174 10.545 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -3.201 10.803 17.314 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -3.782 11.151 16.618 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -3.817 10.391 17.954 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -5.247 19.162 15.933 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -5.140 20.068 15.556 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -6.169 19.156 16.275 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -1.247 19.380 17.766 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -0.330 19.096 17.788 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -1.570 19.087 16.890 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 1.316 25.531 11.968 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 1.662 26.172 12.601 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 0.578 25.092 12.448 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -14.008 29.618 18.968 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -14.532 28.792 18.868 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -13.661 29.793 18.065 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -12.630 25.523 23.185 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -12.921 26.216 22.560 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -11.650 25.515 23.097 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -7.716 19.024 17.156 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -8.653 19.179 17.390 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -7.224 19.238 17.979 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -8.257 16.393 16.418 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -8.117 17.356 16.524 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -8.902 16.168 17.124 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 1.378 22.115 4.084 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 1.220 21.406 4.750 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 1.199 22.949 4.576 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.363 16.999 19.409 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -5.922 16.752 18.578 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -6.206 17.963 19.486 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -6.559 22.382 19.035 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.947 22.880 18.458 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -7.298 23.003 19.195 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -8.508 15.910 20.646 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -7.657 16.257 20.279 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -8.803 16.613 21.272 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -5.494 12.312 19.466 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -5.212 12.928 18.743 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -4.898 12.521 20.194 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -4.435 14.098 17.686 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -4.788 14.964 17.387 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -3.527 14.090 17.367 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.428 13.415 21.142 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -8.988 14.281 20.955 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -9.933 13.581 21.947 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -6.024 7.538 20.088 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -6.608 7.692 20.846 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -5.441 6.794 20.376 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 0.733 24.382 5.486 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 1.334 24.798 6.143 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -0.024 24.080 6.017 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 1.596 15.386 4.898 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 1.944 16.307 4.928 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 1.017 15.377 4.109 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -0.936 18.013 7.986 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -0.755 17.061 7.985 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -1.315 18.182 7.102 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 1.402 10.901 6.529 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 1.277 11.705 5.996 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 2.072 10.391 6.028 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -0.406 15.115 6.930 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -0.134 14.707 7.783 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 0.421 15.157 6.411 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -2.666 16.235 14.406 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -3.388 15.670 14.694 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -2.219 15.715 13.705 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -10.469 18.699 17.686 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -10.928 18.421 16.866 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -10.277 17.853 18.144 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 0.607 14.143 9.353 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 0.165 13.591 10.022 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 1.337 14.551 9.828 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -10.625 22.910 20.656 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -10.752 22.078 20.157 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -11.458 23.009 21.165 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -8.934 26.954 19.149 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -7.971 26.976 18.944 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -9.246 27.854 18.913 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -1.055 28.491 19.366 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -1.691 28.616 20.107 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -0.254 28.172 19.795 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -11.630 27.396 19.662 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -11.467 28.111 19.022 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -10.769 26.942 19.730 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -6.242 26.832 18.581 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -5.968 26.084 19.150 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -5.678 26.745 17.783 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -4.729 26.175 16.370 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -4.634 25.235 16.597 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -3.894 26.395 15.922 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -2.269 26.652 14.731 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -2.757 27.445 14.405 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -1.997 26.193 13.921 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -2.992 6.936 15.842 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -3.768 7.515 16.009 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -2.906 6.928 14.878 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 0.090 12.291 11.592 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -0.025 11.746 12.399 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 0.419 11.659 10.921 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -3.040 8.865 13.435 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -2.343 8.999 14.104 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -3.689 9.558 13.629 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -0.977 9.596 6.666 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -0.169 10.144 6.594 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -0.708 8.723 6.284 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 3.929 31.478 11.608 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 3.438 32.217 11.193 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 4.381 31.046 10.854 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -11.009 12.692 18.967 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -11.608 13.465 19.009 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -10.414 12.812 19.734 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -8.098 11.454 19.783 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -7.213 11.838 19.593 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -8.559 12.161 20.292 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -12.482 20.268 21.995 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -12.593 21.219 22.210 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -12.146 20.271 21.076 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -12.193 17.910 23.278 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -12.350 18.747 22.771 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -12.518 18.107 24.163 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -12.942 22.979 22.177 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -12.756 23.813 22.664 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -13.921 22.948 22.129 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -12.594 15.564 21.870 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -13.242 15.076 22.392 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -12.452 16.395 22.375 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -10.033 25.115 22.461 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -10.078 24.316 21.907 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -9.092 25.241 22.620 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -16.948 42.262 -21.689 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -17.558 42.697 -22.323 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -17.331 42.450 -20.826 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -9.299 33.210 -14.364 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -9.825 33.255 -13.531 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -8.771 32.393 -14.264 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -13.860 38.188 -10.556 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -14.136 39.088 -10.252 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -14.377 37.588 -10.008 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -13.407 37.215 -13.185 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -13.801 37.586 -12.371 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -12.641 37.799 -13.362 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -11.407 34.406 -15.717 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -10.701 33.896 -15.259 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -11.621 33.869 -16.489 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -9.588 37.708 -18.960 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -9.735 37.523 -19.894 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -8.631 37.671 -18.857 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -10.746 33.576 -12.095 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -11.603 34.040 -12.150 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -10.153 34.211 -11.650 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.870 27.586 -9.908 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -5.849 28.284 -9.219 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -5.282 27.936 -10.619 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -13.394 34.538 -12.494 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -14.198 34.322 -13.019 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -13.251 35.493 -12.664 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -11.547 38.298 -17.182 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -10.865 37.981 -17.821 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -11.480 39.257 -17.223 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -8.171 30.776 -13.582 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -8.074 30.044 -14.207 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -8.766 30.428 -12.900 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -7.823 26.008 -11.063 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -7.344 25.333 -11.582 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -7.115 26.601 -10.727 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -4.752 38.474 -4.898 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -3.832 38.315 -5.132 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -5.262 37.917 -5.533 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -2.445 40.422 -1.800 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -2.506 39.805 -1.026 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -1.493 40.616 -1.870 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -10.997 38.747 -2.614 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -11.050 38.263 -1.772 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -11.704 39.418 -2.549 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 4.908 30.421 -3.134 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 5.565 30.537 -2.417 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 5.280 30.903 -3.877 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -3.208 30.822 -6.478 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -2.303 31.186 -6.337 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -3.057 29.872 -6.650 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 5.123 33.155 -0.889 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 5.626 33.948 -0.599 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 5.815 32.507 -1.137 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -4.935 40.515 -2.941 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -4.831 39.849 -3.646 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -4.046 40.560 -2.522 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -0.706 31.755 -5.772 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -0.089 31.361 -5.129 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -0.536 32.701 -5.710 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -6.504 37.428 -3.076 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -7.128 38.169 -2.901 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -5.850 37.810 -3.699 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -13.023 41.422 -6.756 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -13.155 41.968 -7.558 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -12.464 41.984 -6.174 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -1.843 42.503 0.066 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -2.436 42.086 -0.584 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -0.977 42.072 -0.098 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 0.920 31.428 -3.387 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -0.001 31.513 -3.079 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 1.430 32.019 -2.789 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -5.564 37.359 -9.038 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -5.534 36.898 -9.886 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -5.577 38.292 -9.275 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 6.189 35.370 0.521 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 5.522 35.197 1.205 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 6.451 36.296 0.673 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -9.531 40.913 -5.395 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -8.696 41.202 -4.977 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -10.103 41.706 -5.359 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -8.337 39.340 -2.559 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -8.062 40.106 -3.111 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -9.271 39.183 -2.814 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 0.169 40.813 -0.839 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -0.024 40.023 -0.267 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 1.100 40.715 -1.068 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -9.257 44.078 3.184 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -9.486 43.796 4.100 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -8.298 44.048 3.162 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -11.444 39.234 -6.385 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -10.642 39.745 -6.120 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -12.106 39.929 -6.600 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -13.890 37.453 -2.888 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -13.932 38.423 -2.718 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -14.071 37.052 -2.023 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 3.258 43.714 6.241 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 2.441 43.923 5.762 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 3.960 44.147 5.718 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -4.099 46.243 -0.060 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -3.301 45.893 0.393 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -3.752 46.873 -0.694 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -10.999 36.189 -1.372 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -10.488 36.206 -0.527 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -11.938 36.183 -1.080 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -8.589 35.432 -6.835 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -8.332 34.524 -7.020 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -9.011 35.738 -7.671 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -6.135 36.660 -6.433 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -7.069 36.360 -6.485 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -5.899 36.864 -7.367 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -5.869 34.354 -4.718 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -5.809 35.143 -5.290 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -5.146 33.784 -5.018 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -4.321 28.742 -11.850 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -3.448 28.865 -12.233 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -4.806 29.566 -12.085 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -8.502 35.247 -11.521 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -8.543 35.457 -12.476 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -7.573 35.419 -11.286 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -10.410 36.892 -15.076 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -10.810 37.471 -15.758 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -10.791 36.008 -15.266 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 7.960 40.558 4.225 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 7.255 41.235 4.173 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 8.327 40.523 3.323 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 1.349 36.629 -0.064 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 0.688 37.342 0.117 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 2.150 36.923 0.416 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -11.401 43.006 -5.212 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -11.429 43.891 -5.644 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -11.427 43.206 -4.250 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -11.137 38.772 -13.052 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -10.618 38.174 -13.626 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -10.849 38.544 -12.145 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -7.367 41.636 -3.695 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -7.480 42.329 -3.018 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -6.437 41.337 -3.573 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -6.306 44.789 0.557 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.589 45.380 0.226 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -6.140 44.729 1.501 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 2.683 44.201 3.049 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 1.843 44.116 3.541 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 2.843 43.300 2.686 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -9.576 41.559 -1.204 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -8.801 42.147 -1.052 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -9.179 40.715 -1.486 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -11.111 38.091 -10.283 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -12.083 38.091 -10.421 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -10.961 38.808 -9.654 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -9.734 35.963 -9.237 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -9.260 35.675 -10.047 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -10.267 36.728 -9.536 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -4.361 31.574 -4.101 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.041 31.358 -5.004 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -3.554 31.544 -3.553 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 1.562 34.057 0.883 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 1.322 34.960 0.577 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 2.357 34.194 1.428 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -13.498 42.864 -9.055 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -12.759 43.327 -9.466 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -14.287 43.395 -9.309 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -14.294 45.962 2.139 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -14.867 46.398 1.474 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -13.397 46.305 1.944 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -6.914 39.287 8.549 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -6.124 39.785 8.267 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -6.550 38.484 8.968 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 0.575 43.937 4.825 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -0.296 44.231 4.466 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 0.355 43.180 5.382 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -5.983 36.283 -12.366 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -5.166 36.404 -12.859 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -6.670 36.190 -13.060 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -8.070 35.720 -14.173 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -8.326 34.814 -14.445 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -8.767 36.291 -14.562 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -14.266 43.620 -12.475 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -14.685 43.567 -11.597 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -13.741 42.797 -12.544 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -14.628 45.786 -2.656 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -14.771 44.820 -2.679 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -13.800 45.888 -2.128 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -11.517 43.340 -2.444 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -10.860 42.765 -1.999 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -11.570 44.131 -1.871 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 4.426 42.127 8.186 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 4.075 42.702 7.469 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 3.730 42.158 8.877 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 5.975 40.890 1.350 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 6.917 40.797 1.115 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 5.990 41.383 2.195 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 3.443 41.719 2.249 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 4.174 41.490 1.644 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 2.831 40.945 2.187 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 2.054 39.467 1.884 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 1.159 39.248 1.531 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 2.540 38.623 1.838 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 2.388 32.936 -1.516 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 3.368 32.997 -1.494 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 2.112 33.203 -0.614 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -10.848 40.713 5.212 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -10.296 40.210 5.840 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -10.488 41.624 5.262 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -7.167 42.805 -1.097 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -6.979 43.629 -0.587 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -6.383 42.258 -0.955 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -1.825 45.072 0.995 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -0.886 45.281 0.912 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -1.893 44.141 0.677 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 1.972 29.853 1.996 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 1.784 30.493 2.724 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 2.461 30.377 1.347 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -3.540 41.034 1.749 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -2.989 41.746 1.385 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -3.187 40.218 1.320 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -11.629 45.450 -6.520 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -12.357 46.048 -6.292 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -11.062 45.970 -7.101 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -5.921 29.243 -4.031 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -5.548 30.145 -3.988 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -5.142 28.659 -3.913 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 1.028 24.763 -7.123 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 1.140 25.116 -6.213 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 1.914 24.785 -7.496 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -0.956 28.500 -3.355 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -1.066 27.853 -4.077 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -0.229 28.133 -2.814 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -2.980 28.102 -7.006 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -2.820 27.583 -7.803 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -2.431 27.665 -6.323 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -3.621 27.833 -3.620 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -2.798 28.237 -3.281 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -3.311 27.164 -4.253 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -15.712 44.090 -10.040 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -15.932 45.021 -10.260 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -16.523 43.745 -9.640 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -5.635 31.046 -12.479 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -5.446 31.984 -12.566 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -6.539 30.950 -12.837 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 4.974 44.786 4.301 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 5.270 45.682 4.113 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 4.172 44.671 3.734 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -3.149 35.313 9.376 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -2.224 35.118 9.652 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -3.048 35.807 8.549 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -2.436 39.471 9.995 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -3.100 39.204 10.639 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -1.762 38.747 10.029 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -11.271 32.143 14.569 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -11.500 32.710 15.325 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -10.299 32.229 14.494 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -11.402 37.390 11.512 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -12.370 37.519 11.572 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -11.075 38.225 11.162 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 3.509 36.876 17.240 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 3.952 36.162 16.724 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 4.127 37.074 17.946 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -3.311 31.461 14.004 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -2.598 31.583 14.664 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -3.882 32.240 14.124 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -6.570 34.544 13.551 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -5.935 34.324 14.267 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -5.995 34.791 12.801 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -10.041 29.481 18.547 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -9.697 30.208 17.991 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -10.503 29.938 19.277 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -7.638 35.339 8.996 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -6.942 36.011 9.192 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -7.992 35.612 8.141 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -3.796 28.814 14.122 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -4.221 28.915 14.999 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -3.492 29.728 13.902 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -11.992 39.442 7.698 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -12.233 39.938 6.902 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -11.011 39.509 7.730 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 0.484 32.997 14.495 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 0.443 32.942 13.511 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 1.442 32.962 14.690 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 2.980 41.896 10.552 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 3.873 41.523 10.720 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 2.537 41.839 11.401 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -1.679 37.986 6.351 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -1.810 38.446 5.515 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -2.588 37.895 6.715 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -9.312 39.987 7.449 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -8.500 39.525 7.759 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -9.108 40.935 7.593 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -8.561 32.759 14.693 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -8.644 32.607 15.660 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -8.002 33.559 14.620 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -4.317 40.315 8.010 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -4.271 39.518 7.428 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -3.590 40.183 8.649 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 5.634 41.135 10.497 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 6.251 40.440 10.246 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 5.486 41.633 9.670 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -2.801 29.082 21.414 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -2.821 29.237 22.365 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -3.624 28.557 21.238 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -1.398 31.669 15.907 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -0.600 32.073 15.489 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -1.118 30.766 16.142 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -9.407 32.011 17.242 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -10.229 32.547 17.224 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -8.903 32.374 18.009 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -5.793 33.344 9.666 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -6.502 33.928 9.332 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -4.975 33.798 9.418 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -8.448 33.209 19.438 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -9.218 33.117 20.041 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -7.823 33.745 19.932 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -4.203 34.902 11.944 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -3.760 34.988 11.080 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -3.474 34.810 12.579 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -4.487 33.809 15.145 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -4.328 33.383 16.018 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -3.624 34.205 14.911 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -4.415 29.704 16.664 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -4.434 30.639 16.949 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -3.486 29.429 16.819 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -9.499 34.927 11.057 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -9.065 35.371 11.796 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -8.857 35.004 10.321 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 2.850 34.404 4.609 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 2.343 33.949 5.317 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 2.916 35.333 4.923 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -0.543 37.530 10.021 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -0.463 36.557 10.113 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 0.058 37.752 9.284 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -0.312 40.735 8.676 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -0.040 41.567 9.075 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -1.110 40.474 9.181 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -5.531 37.008 9.253 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -4.835 36.499 9.701 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -5.095 37.330 8.419 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -4.713 41.133 4.227 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -4.762 40.188 4.530 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -4.363 41.070 3.308 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -11.595 33.616 16.948 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -11.627 34.575 17.037 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -12.542 33.345 16.910 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 0.657 38.430 7.648 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 0.415 39.333 7.966 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -0.129 38.147 7.122 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -8.233 42.504 7.874 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -8.021 42.726 8.787 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -7.351 42.410 7.437 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -1.750 28.875 16.746 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -1.437 28.640 17.650 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -1.622 28.061 16.229 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.805 42.169 6.643 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -5.204 41.645 7.218 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -5.642 41.811 5.748 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -3.617 32.362 17.286 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -2.759 32.240 16.826 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -3.446 32.035 18.197 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -4.239 43.787 4.730 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -4.746 43.817 5.553 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -4.302 42.848 4.448 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -2.030 34.654 14.081 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -1.338 33.973 14.172 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -1.585 35.475 14.321 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -9.732 43.169 5.696 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -9.148 43.008 6.467 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -10.549 43.561 6.091 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -13.619 44.910 4.674 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -13.799 45.265 3.782 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -14.507 44.704 5.031 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -1.860 44.806 3.797 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.732 44.519 4.159 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -2.026 44.926 2.841 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -0.153 46.835 4.615 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -0.926 46.317 4.329 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 0.481 46.173 4.904 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 5.579 39.669 7.713 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 5.321 40.616 7.747 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 4.727 39.189 7.797 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -10.730 32.818 20.945 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -11.117 31.930 20.772 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -11.033 33.038 21.830 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -6.512 28.395 15.483 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -5.983 28.962 16.089 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -6.255 27.489 15.728 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -4.994 27.619 20.937 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -5.224 26.693 21.134 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -5.437 27.795 20.087 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -2.644 30.960 19.365 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -1.931 30.418 18.999 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -2.898 30.495 20.184 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -5.879 24.959 20.546 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -6.808 24.667 20.416 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -5.364 24.144 20.479 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 3.349 38.088 7.964 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 3.450 37.556 8.788 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 2.389 38.306 7.936 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 3.824 36.479 10.106 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 4.093 35.734 9.529 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 4.226 36.276 10.956 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 2.944 37.007 5.500 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 2.151 37.544 5.364 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 3.241 37.249 6.408 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -0.540 34.802 10.141 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -0.058 34.320 9.427 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -0.334 34.289 10.950 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -14.134 37.276 11.451 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -14.423 37.613 10.573 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -14.644 37.805 12.091 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 1.378 36.517 15.591 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 2.121 36.838 16.154 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 0.776 36.104 16.215 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -11.787 32.065 11.884 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -11.787 32.032 12.868 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -11.156 31.385 11.627 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -13.007 30.352 16.487 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -12.160 30.481 16.032 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -13.379 31.259 16.562 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -0.319 31.209 9.952 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -0.042 31.913 9.325 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 0.104 30.408 9.609 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 0.587 32.951 11.815 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 1.435 33.136 11.359 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 0.197 32.205 11.301 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -12.038 44.061 6.721 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -12.557 44.386 5.945 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -12.640 44.154 7.462 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -11.818 30.328 20.539 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -12.665 30.216 20.050 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -11.776 29.552 21.116 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -12.570 45.441 -0.882 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -12.088 46.000 -0.238 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -13.040 44.787 -0.322 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 3.642 18.877 -0.308 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 4.573 19.021 -0.102 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 3.364 18.182 0.320 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 5.207 26.640 1.611 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 5.666 26.175 2.325 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 4.812 25.914 1.071 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 5.505 17.744 1.920 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 6.089 16.985 2.008 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 4.612 17.350 1.813 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 2.915 16.911 1.500 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 2.329 16.890 2.273 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 2.531 16.243 0.887 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 1.765 13.340 1.752 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 1.092 13.942 2.130 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 2.076 13.807 0.951 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 4.027 22.670 3.185 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 4.275 23.518 3.612 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 3.136 22.483 3.532 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 4.265 25.299 4.155 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 3.660 25.913 3.704 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 4.439 25.732 5.021 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 2.031 27.065 9.804 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 1.646 26.480 10.488 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 2.431 27.797 10.317 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 3.358 28.709 11.578 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 3.312 29.646 11.846 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 4.282 28.576 11.345 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 4.257 26.743 6.469 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 4.466 27.355 7.181 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 3.530 26.194 6.832 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 7.650 30.352 2.997 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 6.845 30.783 3.360 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 8.162 30.113 3.777 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 5.769 42.186 3.777 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 5.711 43.106 4.110 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 4.839 41.928 3.632 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 8.561 39.933 1.546 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 8.032 39.110 1.639 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 9.353 39.653 1.079 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 6.632 30.820 -1.014 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 7.554 30.895 -0.680 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 6.213 30.182 -0.403 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 6.884 38.484 5.629 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 6.494 38.992 6.376 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 7.431 39.149 5.150 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 5.080 37.483 3.877 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 4.339 37.275 4.486 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 5.797 37.798 4.477 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 4.407 31.766 1.344 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 4.535 32.225 0.482 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 4.841 30.893 1.214 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 6.502 38.085 1.583 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 6.090 37.803 2.427 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 6.053 38.926 1.370 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 3.380 37.039 1.789 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 3.550 36.075 1.787 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 3.971 37.378 2.493 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 0.580 34.952 -2.151 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 0.819 35.658 -1.522 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 1.319 34.324 -2.097 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 2.454 29.197 -2.894 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 3.369 29.555 -2.957 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 1.886 29.949 -3.167 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 5.702 29.363 1.182 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 5.512 28.398 1.197 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 6.512 29.455 1.721 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 8.889 30.813 0.538 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 8.511 30.693 1.433 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 9.780 31.140 0.697 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 2.804 35.690 13.356 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 2.234 36.018 14.092 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 2.372 36.020 12.558 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 1.792 30.379 8.176 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 1.631 31.331 8.014 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 1.719 29.976 7.305 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 2.750 33.434 10.169 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 2.055 33.354 9.468 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 3.526 33.792 9.690 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 4.437 34.975 15.545 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 4.147 35.396 14.716 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 4.265 34.030 15.400 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 6.244 36.570 7.615 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 5.930 37.372 8.052 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 6.727 36.900 6.836 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 4.676 34.438 8.436 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 4.613 33.711 7.779 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 5.329 35.064 8.042 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 4.180 32.264 6.788 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 3.216 32.435 6.681 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 4.499 32.114 5.884 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 3.250 32.950 13.977 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 3.630 32.366 13.289 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 3.140 33.810 13.527 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 5.091 31.044 3.943 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 4.503 30.303 4.136 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 4.721 31.434 3.125 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 4.038 34.394 2.175 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 3.763 34.377 3.124 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 4.280 33.465 1.979 1.00 0.00 WAT1 END