REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -624.477, 71.5989, 115.837, 72.1456, 545.314, -544.09, -888.048, 2.28291, 0.482838 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.16471E-03,0.473235,1.42493,42.1466,3.845212E-03,0.231408 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 35, 13 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:24 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.486 -2.742 -6.388 1.00 54.11 ATOM 2 CB MET 1 5.563 -1.850 -6.053 1.00 75.31 ATOM 3 HB1 MET 1 6.021 -0.928 -5.719 1.00 37.86 ATOM 4 HB2 MET 1 5.340 -2.457 -5.187 1.00 54.15 ATOM 5 CG MET 1 4.247 -1.504 -6.739 1.00 75.13 ATOM 6 HG1 MET 1 3.758 -2.421 -7.037 1.00 37.86 ATOM 7 HG2 MET 1 4.455 -0.907 -7.616 1.00 41.33 ATOM 8 SD MET 1 3.137 -0.579 -5.659 1.00 41.33 ATOM 9 CE MET 1 1.727 -0.327 -6.736 1.00 41.43 ATOM 10 HE1 MET 1 1.310 -1.283 -7.017 1.00 74.02 ATOM 11 HE2 MET 1 2.042 0.204 -7.623 1.00 30.30 ATOM 12 HE3 MET 1 0.979 0.253 -6.217 1.00 55.51 ATOM 13 C MET 1 6.017 -3.989 -7.311 1.00 62.04 ATOM 14 O MET 1 5.512 -4.189 -8.416 1.00 51.45 ATOM 15 N MET 1 6.888 -1.808 -8.158 1.00 23.23 ATOM 16 HT1 MET 1 6.040 -1.687 -8.749 1.00 37.86 ATOM 17 HT2 MET 1 7.620 -2.289 -8.718 1.00 37.86 ATOM 18 HT3 MET 1 7.244 -0.870 -7.887 1.00 37.86 ATOM 19 CA MET 1 6.566 -2.605 -6.942 1.00 24.34 ATOM 20 N ALA 2 6.125 -4.938 -6.380 1.00 4.20 ATOM 21 HN ALA 2 6.529 -4.710 -5.514 1.00 37.86 ATOM 22 CA ALA 2 5.677 -6.316 -6.607 1.00 14.33 ATOM 23 HA ALA 2 6.238 -6.710 -7.444 1.00 74.24 ATOM 24 CB ALA 2 5.999 -7.174 -5.389 1.00 62.14 ATOM 25 HB1 ALA 2 5.739 -8.203 -5.590 1.00 2.43 ATOM 26 HB2 ALA 2 5.433 -6.820 -4.538 1.00 60.11 ATOM 27 HB3 ALA 2 7.056 -7.107 -5.170 1.00 23.24 ATOM 28 C ALA 2 4.176 -6.400 -6.935 1.00 43.32 ATOM 29 O ALA 2 3.326 -6.003 -6.133 1.00 14.45 ATOM 30 N ALA 3 3.862 -6.921 -8.118 1.00 3.34 ATOM 31 HN ALA 3 4.587 -7.160 -8.736 1.00 37.86 ATOM 32 CA ALA 3 2.473 -7.134 -8.542 1.00 74.13 ATOM 33 HA ALA 3 1.837 -6.476 -7.964 1.00 70.52 ATOM 34 CB ALA 3 2.322 -6.765 -10.016 1.00 43.44 ATOM 35 HB1 ALA 3 1.288 -6.870 -10.312 1.00 21.23 ATOM 36 HB2 ALA 3 2.935 -7.420 -10.617 1.00 3.55 ATOM 37 HB3 ALA 3 2.637 -5.742 -10.168 1.00 71.04 ATOM 38 C ALA 3 2.032 -8.588 -8.297 1.00 41.23 ATOM 39 O ALA 3 1.304 -9.174 -9.102 1.00 61.52 ATOM 40 N SER 4 2.474 -9.158 -7.171 1.00 43.42 ATOM 41 HN SER 4 3.045 -8.635 -6.572 1.00 37.86 ATOM 42 CA SER 4 2.147 -10.547 -6.800 1.00 3.20 ATOM 43 HA SER 4 2.671 -11.204 -7.480 1.00 52.34 ATOM 44 CB SER 4 2.611 -10.841 -5.366 1.00 63.20 ATOM 45 HB1 SER 4 2.430 -11.882 -5.137 1.00 37.86 ATOM 46 HB2 SER 4 2.053 -10.223 -4.676 1.00 24.13 ATOM 47 OG SER 4 3.993 -10.571 -5.195 1.00 12.44 ATOM 48 HG SER 4 4.205 -10.600 -4.250 1.00 1.11 ATOM 49 C SER 4 0.642 -10.823 -6.906 1.00 31.14 ATOM 50 O SER 4 0.214 -11.739 -7.607 1.00 74.20 ATOM 51 N THR 5 -0.155 -10.026 -6.200 1.00 31.31 ATOM 52 HN THR 5 0.245 -9.340 -5.626 1.00 37.86 ATOM 53 CA THR 5 -1.616 -10.152 -6.253 1.00 52.51 ATOM 54 HA THR 5 -1.855 -11.199 -6.387 1.00 42.13 ATOM 55 CB THR 5 -2.276 -9.671 -4.938 1.00 60.04 ATOM 56 HB THR 5 -2.038 -8.626 -4.795 1.00 70.12 ATOM 57 OG1 THR 5 -1.755 -10.423 -3.832 1.00 53.14 ATOM 58 HG1 THR 5 -2.000 -9.988 -3.005 1.00 63.32 ATOM 59 CG2 THR 5 -3.797 -9.826 -4.982 1.00 15.43 ATOM 60 HG21 THR 5 -4.052 -10.867 -5.129 1.00 13.51 ATOM 61 HG22 THR 5 -4.199 -9.240 -5.797 1.00 41.30 ATOM 62 HG23 THR 5 -4.220 -9.481 -4.050 1.00 63.33 ATOM 63 C THR 5 -2.195 -9.358 -7.428 1.00 40.32 ATOM 64 O THR 5 -2.174 -8.124 -7.426 1.00 31.41 ATOM 65 N VAL 6 -2.708 -10.071 -8.430 1.00 42.15 ATOM 66 HN VAL 6 -2.699 -11.050 -8.370 1.00 37.86 ATOM 67 CA VAL 6 -3.273 -9.434 -9.625 1.00 43.44 ATOM 68 HA VAL 6 -2.547 -8.709 -9.970 1.00 65.55 ATOM 69 CB VAL 6 -3.482 -10.468 -10.771 1.00 10.43 ATOM 70 HB VAL 6 -2.512 -10.867 -11.032 1.00 13.50 ATOM 71 CG1 VAL 6 -4.354 -11.642 -10.318 1.00 10.32 ATOM 72 HG11 VAL 6 -3.881 -12.142 -9.484 1.00 43.00 ATOM 73 HG12 VAL 6 -4.471 -12.341 -11.134 1.00 73.15 ATOM 74 HG13 VAL 6 -5.325 -11.278 -10.015 1.00 10.05 ATOM 75 CG2 VAL 6 -4.060 -9.798 -12.021 1.00 51.21 ATOM 76 HG21 VAL 6 -5.025 -9.367 -11.789 1.00 50.25 ATOM 77 HG22 VAL 6 -4.176 -10.534 -12.803 1.00 24.44 ATOM 78 HG23 VAL 6 -3.390 -9.019 -12.357 1.00 62.31 ATOM 79 C VAL 6 -4.589 -8.683 -9.314 1.00 20.31 ATOM 80 O VAL 6 -5.693 -9.182 -9.544 1.00 44.12 ATOM 81 N HIS 7 -4.456 -7.482 -8.754 1.00 73.21 ATOM 82 HN HIS 7 -3.558 -7.164 -8.526 1.00 37.86 ATOM 83 CA HIS 7 -5.616 -6.633 -8.456 1.00 45.32 ATOM 84 HA HIS 7 -6.344 -7.254 -7.950 1.00 10.11 ATOM 85 CB HIS 7 -5.219 -5.484 -7.512 1.00 73.14 ATOM 86 HB1 HIS 7 -5.136 -5.874 -6.506 1.00 37.86 ATOM 87 HB2 HIS 7 -5.990 -4.728 -7.531 1.00 22.34 ATOM 88 CG HIS 7 -3.918 -4.818 -7.855 1.00 42.23 ATOM 89 ND1 HIS 7 -2.721 -5.178 -7.274 1.00 14.34 ATOM 90 HD1 HIS 7 -2.601 -5.877 -6.595 1.00 43.14 ATOM 91 CD2 HIS 7 -3.625 -3.804 -8.707 1.00 33.05 ATOM 92 HD2 HIS 7 -4.325 -3.270 -9.334 1.00 21.43 ATOM 93 CE1 HIS 7 -1.755 -4.422 -7.750 1.00 63.12 ATOM 94 HE1 HIS 7 -0.713 -4.482 -7.475 1.00 22.44 ATOM 95 NE2 HIS 7 -2.273 -3.581 -8.621 1.00 74.42 ATOM 96 HE2 HIS 7 -1.808 -2.785 -8.968 1.00 37.86 ATOM 97 C HIS 7 -6.261 -6.095 -9.744 1.00 65.44 ATOM 98 O HIS 7 -5.759 -5.163 -10.371 1.00 21.23 ATOM 99 N THR 8 -7.375 -6.707 -10.130 1.00 12.12 ATOM 100 HN THR 8 -7.753 -7.405 -9.554 1.00 37.86 ATOM 101 CA THR 8 -8.061 -6.371 -11.383 1.00 24.55 ATOM 102 HA THR 8 -7.311 -6.069 -12.103 1.00 14.50 ATOM 103 CB THR 8 -8.805 -7.607 -11.950 1.00 55.54 ATOM 104 HB THR 8 -9.546 -7.921 -11.228 1.00 5.30 ATOM 105 OG1 THR 8 -7.880 -8.689 -12.161 1.00 32.22 ATOM 106 HG1 THR 8 -7.243 -8.717 -11.437 1.00 70.20 ATOM 107 CG2 THR 8 -9.513 -7.284 -13.265 1.00 52.30 ATOM 108 HG21 THR 8 -10.016 -8.169 -13.630 1.00 25.34 ATOM 109 HG22 THR 8 -8.789 -6.957 -13.996 1.00 43.33 ATOM 110 HG23 THR 8 -10.239 -6.498 -13.103 1.00 44.44 ATOM 111 C THR 8 -9.066 -5.224 -11.199 1.00 14.24 ATOM 112 O THR 8 -9.911 -5.261 -10.303 1.00 14.04 ATOM 113 N SER 9 -8.963 -4.203 -12.048 1.00 3.13 ATOM 114 HN SER 9 -8.226 -4.198 -12.696 1.00 37.86 ATOM 115 CA SER 9 -9.922 -3.082 -12.047 1.00 5.33 ATOM 116 HA SER 9 -10.454 -3.100 -11.104 1.00 54.44 ATOM 117 CB SER 9 -9.185 -1.745 -12.179 1.00 32.11 ATOM 118 HB1 SER 9 -8.645 -1.725 -13.115 1.00 37.86 ATOM 119 HB2 SER 9 -8.487 -1.640 -11.361 1.00 31.23 ATOM 120 OG SER 9 -10.087 -0.650 -12.149 1.00 33.54 ATOM 121 HG SER 9 -9.585 0.173 -12.080 1.00 54.42 ATOM 122 C SER 9 -10.941 -3.238 -13.186 1.00 25.11 ATOM 123 O SER 9 -10.873 -4.197 -13.954 1.00 3.21 ATOM 124 N PHE 10 -11.880 -2.298 -13.307 1.00 54.40 ATOM 125 HN PHE 10 -11.843 -1.506 -12.728 1.00 37.86 ATOM 126 CA PHE 10 -12.959 -2.415 -14.303 1.00 41.25 ATOM 127 HA PHE 10 -12.638 -3.134 -15.047 1.00 53.45 ATOM 128 CB PHE 10 -14.239 -2.946 -13.638 1.00 73.14 ATOM 129 HB1 PHE 10 -15.023 -3.015 -14.379 1.00 37.86 ATOM 130 HB2 PHE 10 -14.546 -2.258 -12.861 1.00 24.35 ATOM 131 CG PHE 10 -14.065 -4.309 -13.012 1.00 55.11 ATOM 132 CD1 PHE 10 -14.222 -5.463 -13.770 1.00 21.34 ATOM 133 HD1 PHE 10 -14.486 -5.382 -14.815 1.00 44.44 ATOM 134 CD2 PHE 10 -13.726 -4.437 -11.671 1.00 13.22 ATOM 135 HD2 PHE 10 -13.600 -3.548 -11.067 1.00 1.22 ATOM 136 CE1 PHE 10 -14.046 -6.711 -13.202 1.00 53.44 ATOM 137 HE1 PHE 10 -14.174 -7.601 -13.803 1.00 33.34 ATOM 138 CE2 PHE 10 -13.552 -5.683 -11.100 1.00 21.11 ATOM 139 HE2 PHE 10 -13.290 -5.768 -10.055 1.00 51.01 ATOM 140 CZ PHE 10 -13.710 -6.820 -11.867 1.00 55.24 ATOM 141 HZ PHE 10 -13.572 -7.796 -11.421 1.00 1.51 ATOM 142 C PHE 10 -13.244 -1.079 -15.014 1.00 23.32 ATOM 143 O PHE 10 -13.249 -0.017 -14.391 1.00 61.45 ATOM 144 N ILE 11 -13.480 -1.155 -16.327 1.00 33.41 ATOM 145 HN ILE 11 -13.451 -2.036 -16.758 1.00 37.86 ATOM 146 CA ILE 11 -13.788 0.025 -17.156 1.00 30.12 ATOM 147 HA ILE 11 -13.795 0.898 -16.517 1.00 44.32 ATOM 148 CB ILE 11 -12.713 0.227 -18.264 1.00 61.41 ATOM 149 HB ILE 11 -12.761 -0.618 -18.936 1.00 74.20 ATOM 150 CG1 ILE 11 -11.306 0.291 -17.648 1.00 55.04 ATOM 151 HG11 ILE 11 -11.119 -0.624 -17.102 1.00 37.86 ATOM 152 HG12 ILE 11 -11.254 1.126 -16.964 1.00 41.14 ATOM 153 CG2 ILE 11 -12.994 1.491 -19.077 1.00 54.14 ATOM 154 HG21 ILE 11 -13.981 1.430 -19.513 1.00 73.31 ATOM 155 HG22 ILE 11 -12.259 1.584 -19.865 1.00 63.14 ATOM 156 HG23 ILE 11 -12.939 2.356 -18.431 1.00 1.32 ATOM 157 CD1 ILE 11 -10.196 0.457 -18.668 1.00 25.31 ATOM 158 HD11 ILE 11 -10.356 1.362 -19.236 1.00 44.02 ATOM 159 HD12 ILE 11 -10.189 -0.392 -19.336 1.00 32.24 ATOM 160 HD13 ILE 11 -9.247 0.518 -18.156 1.00 52.32 ATOM 161 C ILE 11 -15.171 -0.123 -17.822 1.00 40.23 ATOM 162 O ILE 11 -15.653 -1.236 -18.023 1.00 43.03 ATOM 163 N LEU 12 -15.807 1.000 -18.159 1.00 41.43 ATOM 164 HN LEU 12 -15.399 1.863 -17.939 1.00 37.86 ATOM 165 CA LEU 12 -17.108 0.982 -18.842 1.00 64.42 ATOM 166 HA LEU 12 -17.465 -0.040 -18.863 1.00 31.21 ATOM 167 CB LEU 12 -18.123 1.845 -18.076 1.00 15.45 ATOM 168 HB1 LEU 12 -17.741 2.856 -18.034 1.00 37.86 ATOM 169 HB2 LEU 12 -18.193 1.466 -17.065 1.00 53.32 ATOM 170 CG LEU 12 -19.542 1.891 -18.677 1.00 63.52 ATOM 171 HG LEU 12 -19.465 2.098 -19.735 1.00 53.32 ATOM 172 CD1 LEU 12 -20.246 0.545 -18.522 1.00 31.54 ATOM 173 HD11 LEU 12 -21.240 0.606 -18.943 1.00 33.54 ATOM 174 HD12 LEU 12 -20.315 0.289 -17.475 1.00 24.11 ATOM 175 HD13 LEU 12 -19.685 -0.218 -19.041 1.00 32.35 ATOM 176 CD2 LEU 12 -20.364 3.011 -18.044 1.00 61.25 ATOM 177 HD21 LEU 12 -20.475 2.826 -16.985 1.00 11.32 ATOM 178 HD22 LEU 12 -21.339 3.048 -18.506 1.00 5.01 ATOM 179 HD23 LEU 12 -19.861 3.957 -18.193 1.00 30.12 ATOM 180 C LEU 12 -16.991 1.497 -20.288 1.00 23.10 ATOM 181 O LEU 12 -16.525 2.616 -20.523 1.00 33.25 ATOM 182 N LYS 13 -17.405 0.676 -21.254 1.00 30.41 ATOM 183 HN LYS 13 -17.642 -0.246 -21.023 1.00 37.86 ATOM 184 CA LYS 13 -17.507 1.114 -22.652 1.00 13.11 ATOM 185 HA LYS 13 -16.979 2.054 -22.742 1.00 30.42 ATOM 186 CB LYS 13 -16.873 0.098 -23.614 1.00 24.45 ATOM 187 HB1 LYS 13 -17.003 0.456 -24.626 1.00 37.86 ATOM 188 HB2 LYS 13 -17.392 -0.844 -23.511 1.00 64.41 ATOM 189 CG LYS 13 -15.386 -0.153 -23.385 1.00 34.04 ATOM 190 HG1 LYS 13 -15.269 -0.788 -22.519 1.00 37.86 ATOM 191 HG2 LYS 13 -14.895 0.791 -23.206 1.00 65.33 ATOM 192 CD LYS 13 -14.726 -0.828 -24.589 1.00 75.41 ATOM 193 HD1 LYS 13 -13.731 -1.142 -24.303 1.00 37.86 ATOM 194 HD2 LYS 13 -14.655 -0.112 -25.394 1.00 4.45 ATOM 195 CE LYS 13 -15.504 -2.049 -25.082 1.00 11.20 ATOM 196 HE1 LYS 13 -15.022 -2.432 -25.970 1.00 37.86 ATOM 197 HE2 LYS 13 -16.511 -1.748 -25.329 1.00 21.34 ATOM 198 NZ LYS 13 -15.561 -3.128 -24.066 1.00 14.14 ATOM 199 HZ1 LYS 13 -16.191 -3.892 -24.382 1.00 24.31 ATOM 200 HZ2 LYS 13 -15.909 -2.756 -23.160 1.00 62.12 ATOM 201 HZ3 LYS 13 -14.611 -3.522 -23.911 1.00 42.52 ATOM 202 C LYS 13 -18.974 1.333 -23.052 1.00 42.41 ATOM 203 O LYS 13 -19.825 0.469 -22.836 1.00 43.32 ATOM 204 N VAL 14 -19.258 2.487 -23.647 1.00 11.51 ATOM 205 HN VAL 14 -18.535 3.131 -23.798 1.00 37.86 ATOM 206 CA VAL 14 -20.620 2.831 -24.076 1.00 11.14 ATOM 207 HA VAL 14 -21.267 1.995 -23.843 1.00 44.13 ATOM 208 CB VAL 14 -21.147 4.077 -23.317 1.00 50.32 ATOM 209 HB VAL 14 -20.496 4.911 -23.544 1.00 72.32 ATOM 210 CG1 VAL 14 -22.557 4.440 -23.779 1.00 54.24 ATOM 211 HG11 VAL 14 -23.229 3.620 -23.570 1.00 1.31 ATOM 212 HG12 VAL 14 -22.551 4.637 -24.841 1.00 42.05 ATOM 213 HG13 VAL 14 -22.893 5.323 -23.254 1.00 64.02 ATOM 214 CG2 VAL 14 -21.111 3.848 -21.805 1.00 71.30 ATOM 215 HG21 VAL 14 -20.099 3.624 -21.497 1.00 24.41 ATOM 216 HG22 VAL 14 -21.757 3.020 -21.548 1.00 52.13 ATOM 217 HG23 VAL 14 -21.451 4.739 -21.297 1.00 11.52 ATOM 218 C VAL 14 -20.685 3.099 -25.590 1.00 63.02 ATOM 219 O VAL 14 -20.015 3.992 -26.101 1.00 13.23 ATOM 220 N LEU 15 -21.496 2.323 -26.303 1.00 14.01 ATOM 221 HN LEU 15 -21.989 1.607 -25.851 1.00 37.86 ATOM 222 CA LEU 15 -21.681 2.521 -27.744 1.00 64.53 ATOM 223 HA LEU 15 -20.729 2.818 -28.163 1.00 4.21 ATOM 224 CB LEU 15 -22.134 1.215 -28.411 1.00 15.12 ATOM 225 HB1 LEU 15 -23.101 0.948 -28.010 1.00 37.86 ATOM 226 HB2 LEU 15 -21.429 0.438 -28.146 1.00 30.54 ATOM 227 CG LEU 15 -22.246 1.264 -29.945 1.00 44.41 ATOM 228 HG LEU 15 -22.850 2.115 -30.222 1.00 10.21 ATOM 229 CD1 LEU 15 -20.875 1.449 -30.592 1.00 72.34 ATOM 230 HD11 LEU 15 -20.223 0.638 -30.297 1.00 74.12 ATOM 231 HD12 LEU 15 -20.447 2.388 -30.272 1.00 64.20 ATOM 232 HD13 LEU 15 -20.980 1.451 -31.667 1.00 33.03 ATOM 233 CD2 LEU 15 -22.929 0.009 -30.480 1.00 21.41 ATOM 234 HD21 LEU 15 -23.928 -0.059 -30.073 1.00 12.22 ATOM 235 HD22 LEU 15 -22.363 -0.864 -30.190 1.00 53.22 ATOM 236 HD23 LEU 15 -22.985 0.060 -31.558 1.00 62.15 ATOM 237 C LEU 15 -22.709 3.633 -28.007 1.00 54.24 ATOM 238 O LEU 15 -23.900 3.474 -27.720 1.00 51.43 ATOM 239 N TRP 16 -22.241 4.750 -28.554 1.00 22.12 ATOM 240 HN TRP 16 -21.297 4.788 -28.820 1.00 37.86 ATOM 241 CA TRP 16 -23.090 5.925 -28.785 1.00 2.01 ATOM 242 HA TRP 16 -23.937 5.865 -28.114 1.00 22.21 ATOM 243 CB TRP 16 -22.294 7.203 -28.470 1.00 24.42 ATOM 244 HB1 TRP 16 -21.544 7.351 -29.234 1.00 37.86 ATOM 245 HB2 TRP 16 -21.802 7.087 -27.515 1.00 33.24 ATOM 246 CG TRP 16 -23.134 8.445 -28.400 1.00 31.32 ATOM 247 CD1 TRP 16 -23.426 9.302 -29.421 1.00 40.22 ATOM 248 HD1 TRP 16 -23.079 9.179 -30.437 1.00 14.25 ATOM 249 CD2 TRP 16 -23.783 8.970 -27.235 1.00 61.04 ATOM 250 NE1 TRP 16 -24.213 10.329 -28.963 1.00 10.41 ATOM 251 HE1 TRP 16 -24.554 11.072 -29.508 1.00 4.45 ATOM 252 CE2 TRP 16 -24.448 10.146 -27.624 1.00 33.34 ATOM 253 CE3 TRP 16 -23.865 8.557 -25.902 1.00 44.23 ATOM 254 HE3 TRP 16 -23.370 7.659 -25.565 1.00 64.22 ATOM 255 CZ2 TRP 16 -25.185 10.915 -26.726 1.00 23.41 ATOM 256 HZ2 TRP 16 -25.695 11.817 -27.031 1.00 32.54 ATOM 257 CZ3 TRP 16 -24.598 9.319 -25.012 1.00 33.15 ATOM 258 HZ3 TRP 16 -24.674 9.015 -23.978 1.00 71.40 ATOM 259 CH2 TRP 16 -25.249 10.487 -25.428 1.00 63.22 ATOM 260 HH2 TRP 16 -25.811 11.053 -24.699 1.00 13.54 ATOM 261 C TRP 16 -23.605 5.957 -30.236 1.00 14.41 ATOM 262 O TRP 16 -22.847 6.241 -31.165 1.00 11.12 ATOM 263 N LEU 17 -24.893 5.659 -30.429 1.00 45.22 ATOM 264 HN LEU 17 -25.462 5.477 -29.652 1.00 37.86 ATOM 265 CA LEU 17 -25.483 5.602 -31.776 1.00 75.32 ATOM 266 HA LEU 17 -24.678 5.696 -32.494 1.00 52.31 ATOM 267 CB LEU 17 -26.178 4.247 -31.995 1.00 52.31 ATOM 268 HB1 LEU 17 -26.599 4.239 -32.992 1.00 37.86 ATOM 269 HB2 LEU 17 -26.988 4.164 -31.283 1.00 2.22 ATOM 270 CG LEU 17 -25.278 3.010 -31.846 1.00 73.43 ATOM 271 HG LEU 17 -24.896 2.974 -30.836 1.00 5.02 ATOM 272 CD1 LEU 17 -26.076 1.731 -32.087 1.00 23.23 ATOM 273 HD11 LEU 17 -26.512 1.756 -33.077 1.00 14.11 ATOM 274 HD12 LEU 17 -26.861 1.651 -31.349 1.00 70.03 ATOM 275 HD13 LEU 17 -25.419 0.877 -32.004 1.00 32.51 ATOM 276 CD2 LEU 17 -24.085 3.089 -32.797 1.00 74.10 ATOM 277 HD21 LEU 17 -24.437 3.120 -33.819 1.00 55.32 ATOM 278 HD22 LEU 17 -23.458 2.220 -32.660 1.00 43.23 ATOM 279 HD23 LEU 17 -23.514 3.982 -32.587 1.00 23.23 ATOM 280 C LEU 17 -26.487 6.743 -32.021 1.00 44.32 ATOM 281 O LEU 17 -26.769 7.545 -31.134 1.00 0.43 ATOM 282 N ASP 18 -27.030 6.777 -33.240 1.00 13.44 ATOM 283 HN ASP 18 -26.761 6.090 -33.886 1.00 37.86 ATOM 284 CA ASP 18 -27.990 7.806 -33.675 1.00 3.34 ATOM 285 HA ASP 18 -27.455 8.744 -33.733 1.00 30.50 ATOM 286 CB ASP 18 -28.498 7.444 -35.080 1.00 25.10 ATOM 287 HB1 ASP 18 -28.913 6.446 -35.056 1.00 37.86 ATOM 288 HB2 ASP 18 -27.665 7.460 -35.768 1.00 12.22 ATOM 289 CG ASP 18 -29.560 8.396 -35.601 1.00 62.55 ATOM 290 OD1 ASP 18 -29.219 9.553 -35.924 1.00 45.22 ATOM 291 OD2 ASP 18 -30.735 7.987 -35.706 1.00 22.21 ATOM 292 C ASP 18 -29.174 7.978 -32.695 1.00 72.31 ATOM 293 O ASP 18 -29.364 9.051 -32.116 1.00 41.34 ATOM 294 N GLN 19 -29.981 6.930 -32.534 1.00 21.10 ATOM 295 HN GLN 19 -29.815 6.119 -33.058 1.00 37.86 ATOM 296 CA GLN 19 -31.131 6.965 -31.612 1.00 42.14 ATOM 297 HA GLN 19 -31.088 7.895 -31.062 1.00 13.22 ATOM 298 CB GLN 19 -32.447 6.926 -32.406 1.00 15.33 ATOM 299 HB1 GLN 19 -33.263 6.730 -31.724 1.00 37.86 ATOM 300 HB2 GLN 19 -32.394 6.122 -33.127 1.00 3.14 ATOM 301 CG GLN 19 -32.754 8.219 -33.155 1.00 21.12 ATOM 302 HG1 GLN 19 -31.876 8.517 -33.711 1.00 37.86 ATOM 303 HG2 GLN 19 -33.000 8.987 -32.436 1.00 10.10 ATOM 304 CD GLN 19 -33.915 8.072 -34.121 1.00 62.11 ATOM 305 OE1 GLN 19 -35.070 8.258 -33.762 1.00 34.35 ATOM 306 NE2 GLN 19 -33.618 7.727 -35.358 1.00 65.54 ATOM 307 HE21 GLN 19 -32.675 7.583 -35.585 1.00 0.21 ATOM 308 HE22 GLN 19 -34.354 7.632 -35.997 1.00 43.21 ATOM 309 C GLN 19 -31.091 5.806 -30.604 1.00 14.34 ATOM 310 O GLN 19 -32.077 5.534 -29.918 1.00 22.34 ATOM 311 N ASN 20 -29.940 5.143 -30.504 1.00 22.21 ATOM 312 HN ASN 20 -29.179 5.436 -31.046 1.00 37.86 ATOM 313 CA ASN 20 -29.768 4.005 -29.589 1.00 71.11 ATOM 314 HA ASN 20 -30.571 4.037 -28.862 1.00 2.31 ATOM 315 CB ASN 20 -29.849 2.680 -30.363 1.00 63.02 ATOM 316 HB1 ASN 20 -29.669 1.859 -29.683 1.00 37.86 ATOM 317 HB2 ASN 20 -29.093 2.673 -31.134 1.00 10.31 ATOM 318 CG ASN 20 -31.204 2.474 -31.020 1.00 51.54 ATOM 319 OD1 ASN 20 -32.116 1.901 -30.434 1.00 33.24 ATOM 320 ND2 ASN 20 -31.345 2.943 -32.244 1.00 1.13 ATOM 321 HD21 ASN 20 -30.583 3.391 -32.656 1.00 33.10 ATOM 322 HD22 ASN 20 -32.211 2.821 -32.688 1.00 73.34 ATOM 323 C ASN 20 -28.429 4.096 -28.839 1.00 31.03 ATOM 324 O ASN 20 -27.511 4.797 -29.267 1.00 5.32 ATOM 325 N VAL 21 -28.324 3.386 -27.719 1.00 63.33 ATOM 326 HN VAL 21 -29.088 2.850 -27.420 1.00 37.86 ATOM 327 CA VAL 21 -27.097 3.386 -26.915 1.00 33.40 ATOM 328 HA VAL 21 -26.261 3.534 -27.588 1.00 21.43 ATOM 329 CB VAL 21 -27.100 4.550 -25.888 1.00 31.20 ATOM 330 HB VAL 21 -27.235 5.473 -26.435 1.00 0.51 ATOM 331 CG1 VAL 21 -28.264 4.418 -24.912 1.00 73.54 ATOM 332 HG11 VAL 21 -28.166 3.499 -24.351 1.00 43.43 ATOM 333 HG12 VAL 21 -29.194 4.406 -25.462 1.00 3.05 ATOM 334 HG13 VAL 21 -28.263 5.257 -24.230 1.00 33.12 ATOM 335 CG2 VAL 21 -25.766 4.634 -25.147 1.00 54.20 ATOM 336 HG21 VAL 21 -25.790 5.458 -24.448 1.00 34.23 ATOM 337 HG22 VAL 21 -24.968 4.793 -25.858 1.00 22.13 ATOM 338 HG23 VAL 21 -25.588 3.713 -24.609 1.00 71.31 ATOM 339 C VAL 21 -26.909 2.043 -26.187 1.00 13.31 ATOM 340 O VAL 21 -27.879 1.413 -25.759 1.00 70.11 ATOM 341 N ALA 22 -25.657 1.605 -26.060 1.00 31.20 ATOM 342 HN ALA 22 -24.924 2.159 -26.404 1.00 37.86 ATOM 343 CA ALA 22 -25.342 0.321 -25.415 1.00 12.22 ATOM 344 HA ALA 22 -26.230 -0.024 -24.901 1.00 11.15 ATOM 345 CB ALA 22 -24.978 -0.715 -26.470 1.00 5.55 ATOM 346 HB1 ALA 22 -25.791 -0.812 -27.176 1.00 72.43 ATOM 347 HB2 ALA 22 -24.801 -1.669 -25.995 1.00 63.24 ATOM 348 HB3 ALA 22 -24.085 -0.401 -26.991 1.00 51.51 ATOM 349 C ALA 22 -24.202 0.455 -24.393 1.00 31.54 ATOM 350 O ALA 22 -23.313 1.289 -24.553 1.00 34.11 ATOM 351 N ILE 23 -24.224 -0.382 -23.354 1.00 5.22 ATOM 352 HN ILE 23 -24.953 -1.036 -23.288 1.00 37.86 ATOM 353 CA ILE 23 -23.196 -0.348 -22.297 1.00 63.04 ATOM 354 HA ILE 23 -22.444 0.374 -22.589 1.00 51.14 ATOM 355 CB ILE 23 -23.802 0.112 -20.942 1.00 62.24 ATOM 356 HB ILE 23 -23.036 0.021 -20.183 1.00 63.55 ATOM 357 CG1 ILE 23 -24.997 -0.783 -20.555 1.00 22.22 ATOM 358 HG11 ILE 23 -24.647 -1.797 -20.421 1.00 37.86 ATOM 359 HG12 ILE 23 -25.728 -0.764 -21.350 1.00 22.42 ATOM 360 CG2 ILE 23 -24.219 1.585 -21.007 1.00 14.11 ATOM 361 HG21 ILE 23 -24.590 1.899 -20.042 1.00 34.41 ATOM 362 HG22 ILE 23 -24.996 1.710 -21.748 1.00 33.45 ATOM 363 HG23 ILE 23 -23.366 2.190 -21.277 1.00 32.22 ATOM 364 CD1 ILE 23 -25.696 -0.362 -19.276 1.00 62.25 ATOM 365 HD11 ILE 23 -24.992 -0.381 -18.457 1.00 1.34 ATOM 366 HD12 ILE 23 -26.506 -1.045 -19.068 1.00 35.24 ATOM 367 HD13 ILE 23 -26.090 0.638 -19.390 1.00 43.12 ATOM 368 C ILE 23 -22.510 -1.718 -22.109 1.00 40.01 ATOM 369 O ILE 23 -23.125 -2.768 -22.315 1.00 64.41 ATOM 370 N ALA 24 -21.229 -1.694 -21.721 1.00 53.55 ATOM 371 HN ALA 24 -20.790 -0.825 -21.596 1.00 37.86 ATOM 372 CA ALA 24 -20.449 -2.920 -21.485 1.00 23.03 ATOM 373 HA ALA 24 -21.106 -3.654 -21.036 1.00 54.34 ATOM 374 CB ALA 24 -19.938 -3.484 -22.808 1.00 13.15 ATOM 375 HB1 ALA 24 -20.770 -3.652 -23.475 1.00 21.23 ATOM 376 HB2 ALA 24 -19.428 -4.421 -22.627 1.00 42.44 ATOM 377 HB3 ALA 24 -19.253 -2.784 -23.260 1.00 1.52 ATOM 378 C ALA 24 -19.270 -2.658 -20.528 1.00 74.04 ATOM 379 O ALA 24 -18.790 -1.533 -20.426 1.00 22.45 ATOM 380 N VAL 25 -18.805 -3.703 -19.837 1.00 74.04 ATOM 381 HN VAL 25 -19.209 -4.583 -19.978 1.00 37.86 ATOM 382 CA VAL 25 -17.698 -3.574 -18.870 1.00 64.54 ATOM 383 HA VAL 25 -17.431 -2.525 -18.806 1.00 55.03 ATOM 384 CB VAL 25 -18.135 -4.044 -17.455 1.00 50.33 ATOM 385 HB VAL 25 -18.443 -5.080 -17.524 1.00 73.13 ATOM 386 CG1 VAL 25 -16.978 -3.960 -16.457 1.00 63.40 ATOM 387 HG11 VAL 25 -16.623 -2.940 -16.401 1.00 43.41 ATOM 388 HG12 VAL 25 -16.173 -4.602 -16.784 1.00 3.43 ATOM 389 HG13 VAL 25 -17.317 -4.278 -15.480 1.00 13.14 ATOM 390 CG2 VAL 25 -19.329 -3.228 -16.963 1.00 33.11 ATOM 391 HG21 VAL 25 -20.157 -3.356 -17.645 1.00 23.22 ATOM 392 HG22 VAL 25 -19.058 -2.182 -16.919 1.00 3.11 ATOM 393 HG23 VAL 25 -19.619 -3.565 -15.978 1.00 14.34 ATOM 394 C VAL 25 -16.452 -4.372 -19.309 1.00 45.20 ATOM 395 O VAL 25 -16.560 -5.451 -19.899 1.00 0.12 ATOM 396 N ASP 26 -15.272 -3.824 -19.010 1.00 43.10 ATOM 397 HN ASP 26 -15.263 -2.949 -18.573 1.00 37.86 ATOM 398 CA ASP 26 -13.988 -4.467 -19.318 1.00 74.41 ATOM 399 HA ASP 26 -14.189 -5.430 -19.769 1.00 31.32 ATOM 400 CB ASP 26 -13.191 -3.609 -20.305 1.00 4.21 ATOM 401 HB1 ASP 26 -12.244 -4.092 -20.513 1.00 37.86 ATOM 402 HB2 ASP 26 -13.002 -2.639 -19.863 1.00 21.20 ATOM 403 CG ASP 26 -13.928 -3.408 -21.609 1.00 51.44 ATOM 404 OD1 ASP 26 -13.479 -3.942 -22.645 1.00 32.22 ATOM 405 OD2 ASP 26 -14.970 -2.724 -21.606 1.00 14.20 ATOM 406 C ASP 26 -13.160 -4.674 -18.045 1.00 70.42 ATOM 407 O ASP 26 -13.234 -3.875 -17.109 1.00 61.02 ATOM 408 N GLN 27 -12.366 -5.736 -18.015 1.00 55.10 ATOM 409 HN GLN 27 -12.360 -6.345 -18.782 1.00 37.86 ATOM 410 CA GLN 27 -11.498 -6.022 -16.868 1.00 15.23 ATOM 411 HA GLN 27 -11.856 -5.441 -16.028 1.00 72.01 ATOM 412 CB GLN 27 -11.575 -7.517 -16.502 1.00 11.44 ATOM 413 HB1 GLN 27 -12.608 -7.770 -16.300 1.00 37.86 ATOM 414 HB2 GLN 27 -10.996 -7.686 -15.604 1.00 61.45 ATOM 415 CG GLN 27 -11.057 -8.456 -17.588 1.00 53.45 ATOM 416 HG1 GLN 27 -10.030 -8.197 -17.811 1.00 37.86 ATOM 417 HG2 GLN 27 -11.657 -8.323 -18.477 1.00 52.15 ATOM 418 CD GLN 27 -11.110 -9.921 -17.185 1.00 4.45 ATOM 419 OE1 GLN 27 -12.080 -10.620 -17.449 1.00 10.32 ATOM 420 NE2 GLN 27 -10.073 -10.395 -16.525 1.00 53.53 ATOM 421 HE21 GLN 27 -9.333 -9.789 -16.328 1.00 34.30 ATOM 422 HE22 GLN 27 -10.091 -11.337 -16.261 1.00 51.33 ATOM 423 C GLN 27 -10.039 -5.617 -17.160 1.00 71.01 ATOM 424 O GLN 27 -9.478 -5.966 -18.204 1.00 23.15 ATOM 425 N ILE 28 -9.432 -4.861 -16.245 1.00 64.41 ATOM 426 HN ILE 28 -9.945 -4.551 -15.470 1.00 37.86 ATOM 427 CA ILE 28 -8.022 -4.473 -16.368 1.00 50.32 ATOM 428 HA ILE 28 -7.797 -4.358 -17.422 1.00 3.13 ATOM 429 CB ILE 28 -7.725 -3.124 -15.663 1.00 44.42 ATOM 430 HB ILE 28 -7.941 -3.239 -14.611 1.00 65.44 ATOM 431 CG1 ILE 28 -8.613 -2.007 -16.238 1.00 24.22 ATOM 432 HG11 ILE 28 -9.651 -2.252 -16.059 1.00 37.86 ATOM 433 HG12 ILE 28 -8.447 -1.935 -17.303 1.00 73.31 ATOM 434 CG2 ILE 28 -6.245 -2.760 -15.806 1.00 14.51 ATOM 435 HG21 ILE 28 -6.051 -1.822 -15.304 1.00 34.23 ATOM 436 HG22 ILE 28 -5.997 -2.664 -16.852 1.00 11.33 ATOM 437 HG23 ILE 28 -5.635 -3.536 -15.363 1.00 74.02 ATOM 438 CD1 ILE 28 -8.350 -0.639 -15.638 1.00 70.21 ATOM 439 HD11 ILE 28 -8.992 0.090 -16.110 1.00 14.44 ATOM 440 HD12 ILE 28 -7.318 -0.365 -15.802 1.00 31.31 ATOM 441 HD13 ILE 28 -8.552 -0.662 -14.579 1.00 34.43 ATOM 442 C ILE 28 -7.106 -5.558 -15.785 1.00 52.20 ATOM 443 O ILE 28 -6.947 -5.671 -14.569 1.00 10.42 ATOM 444 N VAL 29 -6.524 -6.363 -16.663 1.00 31.33 ATOM 445 HN VAL 29 -6.697 -6.227 -17.618 1.00 37.86 ATOM 446 CA VAL 29 -5.628 -7.449 -16.257 1.00 74.03 ATOM 447 HA VAL 29 -5.950 -7.816 -15.290 1.00 51.01 ATOM 448 CB VAL 29 -5.696 -8.617 -17.277 1.00 34.51 ATOM 449 HB VAL 29 -5.170 -8.308 -18.169 1.00 10.52 ATOM 450 CG1 VAL 29 -5.008 -9.868 -16.742 1.00 14.22 ATOM 451 HG11 VAL 29 -5.483 -10.177 -15.823 1.00 33.14 ATOM 452 HG12 VAL 29 -3.965 -9.656 -16.556 1.00 72.23 ATOM 453 HG13 VAL 29 -5.089 -10.662 -17.473 1.00 31.45 ATOM 454 CG2 VAL 29 -7.141 -8.915 -17.668 1.00 4.02 ATOM 455 HG21 VAL 29 -7.168 -9.764 -18.336 1.00 14.42 ATOM 456 HG22 VAL 29 -7.563 -8.053 -18.167 1.00 43.25 ATOM 457 HG23 VAL 29 -7.715 -9.135 -16.781 1.00 40.43 ATOM 458 C VAL 29 -4.177 -6.949 -16.157 1.00 52.53 ATOM 459 O VAL 29 -3.809 -5.969 -16.806 1.00 2.15 ATOM 460 N GLY 30 -3.347 -7.636 -15.366 1.00 53.51 ATOM 461 HN GLY 30 -3.692 -8.400 -14.858 1.00 37.86 ATOM 462 CA GLY 30 -1.936 -7.262 -15.243 1.00 21.03 ATOM 463 HA1 GLY 30 -1.456 -7.942 -14.554 1.00 37.86 ATOM 464 HA2 GLY 30 -1.875 -6.261 -14.841 1.00 12.20 ATOM 465 C GLY 30 -1.188 -7.303 -16.575 1.00 41.25 ATOM 466 O GLY 30 -0.071 -6.796 -16.692 1.00 63.12 ATOM 467 N LYS 31 -1.801 -7.931 -17.575 1.00 31.02 ATOM 468 HN LYS 31 -2.642 -8.395 -17.389 1.00 37.86 ATOM 469 CA LYS 31 -1.253 -7.975 -18.934 1.00 50.34 ATOM 470 HA LYS 31 -0.182 -7.838 -18.870 1.00 20.12 ATOM 471 CB LYS 31 -1.544 -9.344 -19.559 1.00 31.41 ATOM 472 HB1 LYS 31 -1.118 -9.369 -20.553 1.00 37.86 ATOM 473 HB2 LYS 31 -2.614 -9.472 -19.632 1.00 40.31 ATOM 474 CG LYS 31 -0.975 -10.516 -18.764 1.00 13.14 ATOM 475 HG1 LYS 31 -1.335 -10.455 -17.746 1.00 37.86 ATOM 476 HG2 LYS 31 0.103 -10.448 -18.766 1.00 2.05 ATOM 477 CD LYS 31 -1.387 -11.864 -19.353 1.00 72.54 ATOM 478 HD1 LYS 31 -2.465 -11.943 -19.328 1.00 37.86 ATOM 479 HD2 LYS 31 -0.954 -12.654 -18.755 1.00 52.14 ATOM 480 CE LYS 31 -0.913 -12.020 -20.793 1.00 0.12 ATOM 481 HE1 LYS 31 0.167 -11.984 -20.811 1.00 37.86 ATOM 482 HE2 LYS 31 -1.310 -11.206 -21.382 1.00 50.40 ATOM 483 NZ LYS 31 -1.364 -13.302 -21.390 1.00 22.20 ATOM 484 HZ1 LYS 31 -2.403 -13.358 -21.379 1.00 2.24 ATOM 485 HZ2 LYS 31 -0.981 -14.104 -20.854 1.00 63.21 ATOM 486 HZ3 LYS 31 -1.036 -13.372 -22.372 1.00 74.22 ATOM 487 C LYS 31 -1.848 -6.861 -19.819 1.00 42.22 ATOM 488 O LYS 31 -1.177 -6.332 -20.705 1.00 3.23 ATOM 489 N GLY 32 -3.109 -6.507 -19.568 1.00 4.03 ATOM 490 HN GLY 32 -3.581 -6.919 -18.820 1.00 37.86 ATOM 491 CA GLY 32 -3.794 -5.504 -20.373 1.00 60.52 ATOM 492 HA1 GLY 32 -3.590 -5.692 -21.418 1.00 37.86 ATOM 493 HA2 GLY 32 -3.413 -4.525 -20.114 1.00 51.34 ATOM 494 C GLY 32 -5.304 -5.521 -20.154 1.00 54.51 ATOM 495 O GLY 32 -5.807 -6.254 -19.305 1.00 10.03 ATOM 496 N THR 33 -6.031 -4.724 -20.923 1.00 65.55 ATOM 497 HN THR 33 -5.578 -4.177 -21.594 1.00 37.86 ATOM 498 CA THR 33 -7.498 -4.649 -20.800 1.00 41.22 ATOM 499 HA THR 33 -7.754 -4.828 -19.764 1.00 62.12 ATOM 500 CB THR 33 -8.040 -3.251 -21.193 1.00 61.10 ATOM 501 HB THR 33 -9.119 -3.264 -21.106 1.00 62.12 ATOM 502 OG1 THR 33 -7.686 -2.937 -22.551 1.00 4.03 ATOM 503 HG1 THR 33 -8.432 -2.505 -22.985 1.00 21.32 ATOM 504 CG2 THR 33 -7.492 -2.175 -20.261 1.00 0.13 ATOM 505 HG21 THR 33 -6.412 -2.166 -20.315 1.00 52.32 ATOM 506 HG22 THR 33 -7.800 -2.386 -19.247 1.00 15.25 ATOM 507 HG23 THR 33 -7.874 -1.209 -20.560 1.00 72.00 ATOM 508 C THR 33 -8.194 -5.709 -21.666 1.00 15.55 ATOM 509 O THR 33 -7.777 -5.976 -22.794 1.00 4.13 ATOM 510 N SER 34 -9.253 -6.315 -21.132 1.00 11.32 ATOM 511 HN SER 34 -9.545 -6.058 -20.230 1.00 37.86 ATOM 512 CA SER 34 -9.999 -7.361 -21.855 1.00 23.40 ATOM 513 HA SER 34 -9.792 -7.248 -22.910 1.00 73.44 ATOM 514 CB SER 34 -9.538 -8.757 -21.405 1.00 71.15 ATOM 515 HB1 SER 34 -9.725 -8.875 -20.347 1.00 37.86 ATOM 516 HB2 SER 34 -8.480 -8.860 -21.593 1.00 53.23 ATOM 517 OG SER 34 -10.227 -9.786 -22.107 1.00 54.11 ATOM 518 HG SER 34 -10.747 -10.310 -21.482 1.00 14.25 ATOM 519 C SER 34 -11.513 -7.227 -21.630 1.00 40.31 ATOM 520 O SER 34 -11.960 -7.030 -20.498 1.00 51.41 ATOM 521 N PRO 35 -12.324 -7.328 -22.705 1.00 40.01 ATOM 522 CA PRO 35 -13.792 -7.218 -22.605 1.00 11.13 ATOM 523 HA PRO 35 -14.084 -6.219 -22.309 1.00 21.13 ATOM 524 CB PRO 35 -14.272 -7.485 -24.040 1.00 53.35 ATOM 525 HB1 PRO 35 -15.121 -6.855 -24.263 1.00 37.86 ATOM 526 HB2 PRO 35 -14.552 -8.525 -24.146 1.00 53.14 ATOM 527 CG PRO 35 -13.100 -7.146 -24.899 1.00 52.11 ATOM 528 HG1 PRO 35 -13.089 -6.085 -25.107 1.00 37.86 ATOM 529 HG2 PRO 35 -13.143 -7.709 -25.823 1.00 20.55 ATOM 530 CD PRO 35 -11.884 -7.534 -24.101 1.00 15.04 ATOM 531 HD1 PRO 35 -11.051 -6.889 -24.343 1.00 37.86 ATOM 532 HD2 PRO 35 -11.626 -8.569 -24.280 1.00 30.31 ATOM 533 C PRO 35 -14.411 -8.234 -21.628 1.00 63.12 ATOM 534 O PRO 35 -14.304 -9.450 -21.822 1.00 42.32 ATOM 535 N LEU 36 -15.070 -7.727 -20.585 1.00 43.25 ATOM 536 HN LEU 36 -15.155 -6.752 -20.505 1.00 37.86 ATOM 537 CA LEU 36 -15.679 -8.580 -19.558 1.00 43.33 ATOM 538 HA LEU 36 -15.099 -9.491 -19.494 1.00 50.15 ATOM 539 CB LEU 36 -15.638 -7.869 -18.195 1.00 35.34 ATOM 540 HB1 LEU 36 -16.263 -6.989 -18.254 1.00 37.86 ATOM 541 HB2 LEU 36 -14.620 -7.550 -18.010 1.00 31.42 ATOM 542 CG LEU 36 -16.104 -8.710 -16.996 1.00 5.41 ATOM 543 HG LEU 36 -17.081 -9.120 -17.213 1.00 3.10 ATOM 544 CD1 LEU 36 -15.153 -9.880 -16.760 1.00 72.33 ATOM 545 HD11 LEU 36 -15.126 -10.505 -17.641 1.00 53.05 ATOM 546 HD12 LEU 36 -15.496 -10.462 -15.919 1.00 1.33 ATOM 547 HD13 LEU 36 -14.159 -9.504 -16.556 1.00 50.14 ATOM 548 CD2 LEU 36 -16.225 -7.846 -15.742 1.00 43.42 ATOM 549 HD21 LEU 36 -15.261 -7.422 -15.498 1.00 14.03 ATOM 550 HD22 LEU 36 -16.569 -8.454 -14.918 1.00 14.11 ATOM 551 HD23 LEU 36 -16.934 -7.049 -15.920 1.00 51.44 ATOM 552 C LEU 36 -17.129 -8.944 -19.926 1.00 33.54 ATOM 553 O LEU 36 -17.577 -10.071 -19.693 1.00 41.21 ATOM 554 N THR 37 -17.865 -7.983 -20.491 1.00 62.32 ATOM 555 HN THR 37 -17.472 -7.090 -20.611 1.00 37.86 ATOM 556 CA THR 37 -19.250 -8.220 -20.935 1.00 71.01 ATOM 557 HA THR 37 -19.429 -9.288 -20.916 1.00 34.51 ATOM 558 CB THR 37 -20.293 -7.538 -20.006 1.00 61.44 ATOM 559 HB THR 37 -21.279 -7.887 -20.287 1.00 63.03 ATOM 560 OG1 THR 37 -20.246 -6.112 -20.168 1.00 42.03 ATOM 561 HG1 THR 37 -21.083 -5.805 -20.542 1.00 73.43 ATOM 562 CG2 THR 37 -20.056 -7.893 -18.537 1.00 45.32 ATOM 563 HG21 THR 37 -19.070 -7.564 -18.239 1.00 33.41 ATOM 564 HG22 THR 37 -20.130 -8.963 -18.405 1.00 43.53 ATOM 565 HG23 THR 37 -20.798 -7.404 -17.922 1.00 61.52 ATOM 566 C THR 37 -19.478 -7.711 -22.368 1.00 13.02 ATOM 567 O THR 37 -18.590 -7.116 -22.982 1.00 70.44 ATOM 568 N SER 38 -20.680 -7.948 -22.892 1.00 12.35 ATOM 569 HN SER 38 -21.338 -8.437 -22.359 1.00 37.86 ATOM 570 CA SER 38 -21.054 -7.493 -24.241 1.00 62.22 ATOM 571 HA SER 38 -20.148 -7.232 -24.771 1.00 60.04 ATOM 572 CB SER 38 -21.764 -8.625 -24.997 1.00 2.34 ATOM 573 HB1 SER 38 -22.653 -8.918 -24.453 1.00 37.86 ATOM 574 HB2 SER 38 -21.100 -9.473 -25.077 1.00 74.03 ATOM 575 OG SER 38 -22.139 -8.224 -26.302 1.00 32.41 ATOM 576 HG SER 38 -21.356 -7.920 -26.785 1.00 31.32 ATOM 577 C SER 38 -21.962 -6.253 -24.175 1.00 31.41 ATOM 578 O SER 38 -22.533 -5.952 -23.126 1.00 22.21 ATOM 579 N TYR 39 -22.095 -5.537 -25.295 1.00 14.25 ATOM 580 HN TYR 39 -21.636 -5.838 -26.111 1.00 37.86 ATOM 581 CA TYR 39 -22.913 -4.313 -25.347 1.00 5.52 ATOM 582 HA TYR 39 -22.614 -3.688 -24.516 1.00 34.03 ATOM 583 CB TYR 39 -22.650 -3.545 -26.652 1.00 15.44 ATOM 584 HB1 TYR 39 -23.465 -2.855 -26.828 1.00 37.86 ATOM 585 HB2 TYR 39 -22.607 -4.250 -27.471 1.00 43.23 ATOM 586 CG TYR 39 -21.357 -2.748 -26.658 1.00 5.35 ATOM 587 CD1 TYR 39 -20.205 -3.236 -27.271 1.00 21.12 ATOM 588 HD1 TYR 39 -20.231 -4.209 -27.741 1.00 25.23 ATOM 589 CD2 TYR 39 -21.298 -1.493 -26.060 1.00 71.35 ATOM 590 HD2 TYR 39 -22.182 -1.098 -25.578 1.00 70.01 ATOM 591 CE1 TYR 39 -19.036 -2.498 -27.284 1.00 73.51 ATOM 592 HE1 TYR 39 -18.152 -2.893 -27.766 1.00 20.14 ATOM 593 CE2 TYR 39 -20.133 -0.753 -26.067 1.00 13.21 ATOM 594 HE2 TYR 39 -20.108 0.218 -25.594 1.00 54.03 ATOM 595 CZ TYR 39 -19.007 -1.258 -26.681 1.00 11.32 ATOM 596 OH TYR 39 -17.850 -0.515 -26.697 1.00 51.05 ATOM 597 HH TYR 39 -17.781 -0.015 -25.879 1.00 33.13 ATOM 598 C TYR 39 -24.419 -4.607 -25.215 1.00 14.34 ATOM 599 O TYR 39 -25.025 -5.234 -26.084 1.00 1.43 ATOM 600 N PHE 40 -25.023 -4.146 -24.125 1.00 11.23 ATOM 601 HN PHE 40 -24.484 -3.706 -23.431 1.00 37.86 ATOM 602 CA PHE 40 -26.469 -4.296 -23.920 1.00 54.53 ATOM 603 HA PHE 40 -26.802 -5.145 -24.504 1.00 4.24 ATOM 604 CB PHE 40 -26.764 -4.569 -22.440 1.00 62.22 ATOM 605 HB1 PHE 40 -27.829 -4.709 -22.314 1.00 37.86 ATOM 606 HB2 PHE 40 -26.450 -3.716 -21.855 1.00 65.45 ATOM 607 CG PHE 40 -26.066 -5.795 -21.897 1.00 64.30 ATOM 608 CD1 PHE 40 -26.517 -7.068 -22.219 1.00 5.44 ATOM 609 HD1 PHE 40 -27.375 -7.178 -22.865 1.00 53.22 ATOM 610 CD2 PHE 40 -24.960 -5.674 -21.064 1.00 11.44 ATOM 611 HD2 PHE 40 -24.598 -4.689 -20.804 1.00 44.33 ATOM 612 CE1 PHE 40 -25.879 -8.192 -21.724 1.00 24.52 ATOM 613 HE1 PHE 40 -26.242 -9.177 -21.982 1.00 44.41 ATOM 614 CE2 PHE 40 -24.320 -6.794 -20.567 1.00 4.44 ATOM 615 HE2 PHE 40 -23.461 -6.685 -19.921 1.00 25.21 ATOM 616 CZ PHE 40 -24.780 -8.054 -20.898 1.00 32.03 ATOM 617 HZ PHE 40 -24.281 -8.930 -20.510 1.00 44.14 ATOM 618 C PHE 40 -27.230 -3.044 -24.395 1.00 24.44 ATOM 619 O PHE 40 -26.991 -1.939 -23.907 1.00 1.52 ATOM 620 N PHE 41 -28.145 -3.230 -25.351 1.00 22.15 ATOM 621 HN PHE 41 -28.303 -4.139 -25.677 1.00 37.86 ATOM 622 CA PHE 41 -28.925 -2.120 -25.927 1.00 43.40 ATOM 623 HA PHE 41 -28.348 -1.213 -25.814 1.00 30.41 ATOM 624 CB PHE 41 -29.176 -2.366 -27.424 1.00 30.31 ATOM 625 HB1 PHE 41 -29.842 -1.599 -27.797 1.00 37.86 ATOM 626 HB2 PHE 41 -29.648 -3.329 -27.548 1.00 0.21 ATOM 627 CG PHE 41 -27.934 -2.353 -28.275 1.00 52.34 ATOM 628 CD1 PHE 41 -27.088 -3.453 -28.315 1.00 61.45 ATOM 629 HD1 PHE 41 -27.326 -4.327 -27.726 1.00 42.33 ATOM 630 CD2 PHE 41 -27.614 -1.238 -29.039 1.00 21.44 ATOM 631 HD2 PHE 41 -28.266 -0.374 -29.018 1.00 21.01 ATOM 632 CE1 PHE 41 -25.951 -3.441 -29.098 1.00 5.22 ATOM 633 HE1 PHE 41 -25.303 -4.304 -29.120 1.00 64.41 ATOM 634 CE2 PHE 41 -26.477 -1.223 -29.823 1.00 74.40 ATOM 635 HE2 PHE 41 -26.238 -0.349 -30.412 1.00 72.42 ATOM 636 CZ PHE 41 -25.644 -2.325 -29.852 1.00 32.23 ATOM 637 HZ PHE 41 -24.754 -2.316 -30.466 1.00 52.24 ATOM 638 C PHE 41 -30.279 -1.942 -25.222 1.00 70.35 ATOM 639 O PHE 41 -31.014 -2.909 -25.022 1.00 33.11 ATOM 640 N TRP 42 -30.622 -0.698 -24.884 1.00 52.33 ATOM 641 HN TRP 42 -29.992 0.035 -25.058 1.00 37.86 ATOM 642 CA TRP 42 -31.917 -0.396 -24.255 1.00 24.20 ATOM 643 HA TRP 42 -32.493 -1.312 -24.225 1.00 61.23 ATOM 644 CB TRP 42 -31.704 0.107 -22.810 1.00 54.31 ATOM 645 HB1 TRP 42 -30.836 -0.385 -22.392 1.00 37.86 ATOM 646 HB2 TRP 42 -32.570 -0.152 -22.220 1.00 11.21 ATOM 647 CG TRP 42 -31.498 1.588 -22.690 1.00 50.11 ATOM 648 CD1 TRP 42 -30.415 2.316 -23.094 1.00 63.40 ATOM 649 HD1 TRP 42 -29.541 1.895 -23.574 1.00 51.23 ATOM 650 CD2 TRP 42 -32.414 2.522 -22.105 1.00 32.43 ATOM 651 NE1 TRP 42 -30.613 3.646 -22.813 1.00 24.41 ATOM 652 HE1 TRP 42 -29.983 4.369 -23.015 1.00 52.34 ATOM 653 CE2 TRP 42 -31.831 3.796 -22.203 1.00 60.11 ATOM 654 CE3 TRP 42 -33.674 2.398 -21.511 1.00 73.41 ATOM 655 HE3 TRP 42 -34.155 1.435 -21.416 1.00 2.02 ATOM 656 CZ2 TRP 42 -32.466 4.942 -21.732 1.00 73.44 ATOM 657 HZ2 TRP 42 -32.013 5.919 -21.813 1.00 2.34 ATOM 658 CZ3 TRP 42 -34.304 3.533 -21.042 1.00 34.32 ATOM 659 HZ3 TRP 42 -35.276 3.452 -20.577 1.00 43.14 ATOM 660 CH2 TRP 42 -33.699 4.793 -21.154 1.00 1.52 ATOM 661 HH2 TRP 42 -34.227 5.656 -20.771 1.00 42.42 ATOM 662 C TRP 42 -32.699 0.646 -25.092 1.00 14.14 ATOM 663 O TRP 42 -32.106 1.376 -25.890 1.00 72.12 ATOM 664 N PRO 43 -34.042 0.735 -24.941 1.00 2.03 ATOM 665 CA PRO 43 -34.837 -0.116 -24.038 1.00 73.21 ATOM 666 HA PRO 43 -34.310 -0.315 -23.117 1.00 72.00 ATOM 667 CB PRO 43 -36.053 0.766 -23.751 1.00 5.33 ATOM 668 HB1 PRO 43 -35.840 1.417 -22.914 1.00 37.86 ATOM 669 HB2 PRO 43 -36.911 0.147 -23.521 1.00 31.14 ATOM 670 CG PRO 43 -36.258 1.545 -25.009 1.00 11.30 ATOM 671 HG1 PRO 43 -36.690 2.509 -24.778 1.00 37.86 ATOM 672 HG2 PRO 43 -36.909 0.997 -25.676 1.00 31.04 ATOM 673 CD PRO 43 -34.894 1.721 -25.641 1.00 64.44 ATOM 674 HD1 PRO 43 -34.530 2.726 -25.476 1.00 37.86 ATOM 675 HD2 PRO 43 -34.937 1.506 -26.698 1.00 44.52 ATOM 676 C PRO 43 -35.267 -1.453 -24.670 1.00 64.44 ATOM 677 O PRO 43 -36.088 -2.183 -24.103 1.00 62.11 ATOM 678 N ARG 44 -34.709 -1.768 -25.842 1.00 62.32 ATOM 679 HN ARG 44 -34.121 -1.113 -26.274 1.00 37.86 ATOM 680 CA ARG 44 -34.964 -3.055 -26.509 1.00 14.22 ATOM 681 HA ARG 44 -36.011 -3.087 -26.776 1.00 54.42 ATOM 682 CB ARG 44 -34.119 -3.168 -27.785 1.00 24.02 ATOM 683 HB1 ARG 44 -34.346 -4.107 -28.275 1.00 37.86 ATOM 684 HB2 ARG 44 -33.072 -3.158 -27.513 1.00 11.11 ATOM 685 CG ARG 44 -34.370 -2.035 -28.773 1.00 32.43 ATOM 686 HG1 ARG 44 -34.085 -1.101 -28.308 1.00 37.86 ATOM 687 HG2 ARG 44 -35.423 -2.007 -29.012 1.00 73.11 ATOM 688 CD ARG 44 -33.583 -2.198 -30.068 1.00 10.54 ATOM 689 HD1 ARG 44 -33.886 -3.119 -30.549 1.00 37.86 ATOM 690 HD2 ARG 44 -32.528 -2.243 -29.834 1.00 1.22 ATOM 691 NE ARG 44 -33.825 -1.081 -30.980 1.00 42.05 ATOM 692 HE ARG 44 -34.469 -0.400 -30.696 1.00 62.05 ATOM 693 CZ ARG 44 -33.233 -0.922 -32.133 1.00 23.25 ATOM 694 NH1 ARG 44 -32.407 -1.810 -32.585 1.00 44.11 ATOM 695 HH11 ARG 44 -32.217 -2.628 -32.056 1.00 63.32 ATOM 696 HH12 ARG 44 -31.967 -1.669 -33.473 1.00 33.54 ATOM 697 NH2 ARG 44 -33.483 0.127 -32.845 1.00 64.33 ATOM 698 HH21 ARG 44 -34.129 0.811 -32.515 1.00 5.15 ATOM 699 HH22 ARG 44 -33.025 0.250 -33.723 1.00 62.43 ATOM 700 C ARG 44 -34.662 -4.225 -25.562 1.00 22.40 ATOM 701 O ARG 44 -35.366 -5.232 -25.549 1.00 31.40 ATOM 702 N ALA 45 -33.607 -4.069 -24.769 1.00 3.00 ATOM 703 HN ALA 45 -33.014 -3.300 -24.912 1.00 37.86 ATOM 704 CA ALA 45 -33.287 -5.007 -23.696 1.00 0.34 ATOM 705 HA ALA 45 -34.158 -5.624 -23.513 1.00 41.24 ATOM 706 CB ALA 45 -32.134 -5.913 -24.117 1.00 53.01 ATOM 707 HB1 ALA 45 -31.254 -5.314 -24.303 1.00 1.51 ATOM 708 HB2 ALA 45 -32.403 -6.445 -25.019 1.00 30.11 ATOM 709 HB3 ALA 45 -31.927 -6.623 -23.330 1.00 32.22 ATOM 710 C ALA 45 -32.932 -4.246 -22.412 1.00 42.33 ATOM 711 O ALA 45 -32.381 -3.145 -22.467 1.00 52.51 ATOM 712 N ASP 46 -33.264 -4.816 -21.258 1.00 45.10 ATOM 713 HN ASP 46 -33.773 -5.655 -21.267 1.00 37.86 ATOM 714 CA ASP 46 -32.891 -4.214 -19.969 1.00 72.03 ATOM 715 HA ASP 46 -33.244 -3.186 -19.976 1.00 42.41 ATOM 716 CB ASP 46 -33.578 -4.962 -18.817 1.00 41.42 ATOM 717 HB1 ASP 46 -34.594 -4.604 -18.715 1.00 37.86 ATOM 718 HB2 ASP 46 -33.044 -4.772 -17.896 1.00 13.33 ATOM 719 CG ASP 46 -33.617 -6.460 -19.057 1.00 12.33 ATOM 720 OD1 ASP 46 -34.544 -6.921 -19.759 1.00 45.32 ATOM 721 OD2 ASP 46 -32.722 -7.179 -18.574 1.00 3.23 ATOM 722 C ASP 46 -31.360 -4.200 -19.795 1.00 21.34 ATOM 723 O ASP 46 -30.772 -5.094 -19.182 1.00 44.21 ATOM 724 N ALA 47 -30.725 -3.184 -20.379 1.00 13.11 ATOM 725 HN ALA 47 -31.258 -2.503 -20.841 1.00 37.86 ATOM 726 CA ALA 47 -29.263 -3.059 -20.385 1.00 24.32 ATOM 727 HA ALA 47 -28.864 -3.877 -20.968 1.00 34.12 ATOM 728 CB ALA 47 -28.861 -1.758 -21.075 1.00 75.54 ATOM 729 HB1 ALA 47 -27.783 -1.684 -21.110 1.00 4.02 ATOM 730 HB2 ALA 47 -29.262 -0.918 -20.526 1.00 63.43 ATOM 731 HB3 ALA 47 -29.253 -1.749 -22.081 1.00 24.25 ATOM 732 C ALA 47 -28.655 -3.124 -18.977 1.00 51.12 ATOM 733 O ALA 47 -27.754 -3.919 -18.717 1.00 22.42 ATOM 734 N TRP 48 -29.159 -2.295 -18.071 1.00 71.13 ATOM 735 HN TRP 48 -29.929 -1.739 -18.312 1.00 37.86 ATOM 736 CA TRP 48 -28.604 -2.201 -16.718 1.00 22.11 ATOM 737 HA TRP 48 -27.539 -2.037 -16.813 1.00 63.14 ATOM 738 CB TRP 48 -29.224 -1.000 -15.987 1.00 44.32 ATOM 739 HB1 TRP 48 -30.261 -1.217 -15.768 1.00 37.86 ATOM 740 HB2 TRP 48 -29.176 -0.134 -16.630 1.00 4.31 ATOM 741 CG TRP 48 -28.541 -0.651 -14.697 1.00 30.45 ATOM 742 CD1 TRP 48 -27.393 0.075 -14.547 1.00 14.54 ATOM 743 HD1 TRP 48 -26.820 0.486 -15.367 1.00 43.33 ATOM 744 CD2 TRP 48 -28.971 -0.999 -13.377 1.00 44.22 ATOM 745 NE1 TRP 48 -27.085 0.197 -13.216 1.00 30.12 ATOM 746 HE1 TRP 48 -26.311 0.677 -12.853 1.00 50.32 ATOM 747 CE2 TRP 48 -28.036 -0.454 -12.478 1.00 21.23 ATOM 748 CE3 TRP 48 -30.054 -1.720 -12.868 1.00 2.44 ATOM 749 HE3 TRP 48 -30.795 -2.154 -13.526 1.00 21.21 ATOM 750 CZ2 TRP 48 -28.153 -0.608 -11.100 1.00 60.05 ATOM 751 HZ2 TRP 48 -27.431 -0.187 -10.415 1.00 3.03 ATOM 752 CZ3 TRP 48 -30.169 -1.870 -11.499 1.00 54.33 ATOM 753 HZ3 TRP 48 -30.999 -2.425 -11.087 1.00 41.33 ATOM 754 CH2 TRP 48 -29.222 -1.317 -10.629 1.00 34.12 ATOM 755 HH2 TRP 48 -29.349 -1.460 -9.566 1.00 12.04 ATOM 756 C TRP 48 -28.831 -3.502 -15.925 1.00 62.41 ATOM 757 O TRP 48 -27.956 -3.949 -15.180 1.00 61.11 ATOM 758 N GLN 49 -30.003 -4.113 -16.104 1.00 33.22 ATOM 759 HN GLN 49 -30.660 -3.709 -16.710 1.00 37.86 ATOM 760 CA GLN 49 -30.337 -5.372 -15.425 1.00 43.13 ATOM 761 HA GLN 49 -30.188 -5.218 -14.366 1.00 52.34 ATOM 762 CB GLN 49 -31.813 -5.734 -15.667 1.00 1.34 ATOM 763 HB1 GLN 49 -31.997 -5.745 -16.731 1.00 37.86 ATOM 764 HB2 GLN 49 -32.434 -4.974 -15.215 1.00 30.35 ATOM 765 CG GLN 49 -32.230 -7.092 -15.097 1.00 12.23 ATOM 766 HG1 GLN 49 -31.611 -7.857 -15.545 1.00 37.86 ATOM 767 HG2 GLN 49 -33.263 -7.274 -15.360 1.00 1.22 ATOM 768 CD GLN 49 -32.101 -7.187 -13.582 1.00 1.34 ATOM 769 OE1 GLN 49 -31.813 -8.252 -13.041 1.00 63.50 ATOM 770 NE2 GLN 49 -32.340 -6.094 -12.880 1.00 41.42 ATOM 771 HE21 GLN 49 -32.593 -5.277 -13.360 1.00 31.14 ATOM 772 HE22 GLN 49 -32.262 -6.151 -11.905 1.00 53.13 ATOM 773 C GLN 49 -29.421 -6.523 -15.881 1.00 14.12 ATOM 774 O GLN 49 -28.811 -7.206 -15.057 1.00 63.34 ATOM 775 N GLN 50 -29.322 -6.735 -17.190 1.00 71.45 ATOM 776 HN GLN 50 -29.841 -6.173 -17.808 1.00 37.86 ATOM 777 CA GLN 50 -28.464 -7.798 -17.730 1.00 12.42 ATOM 778 HA GLN 50 -28.702 -8.703 -17.184 1.00 5.24 ATOM 779 CB GLN 50 -28.776 -8.036 -19.216 1.00 60.33 ATOM 780 HB1 GLN 50 -27.958 -8.583 -19.665 1.00 37.86 ATOM 781 HB2 GLN 50 -28.874 -7.080 -19.711 1.00 33.32 ATOM 782 CG GLN 50 -30.062 -8.833 -19.433 1.00 50.11 ATOM 783 HG1 GLN 50 -30.853 -8.376 -18.856 1.00 37.86 ATOM 784 HG2 GLN 50 -29.906 -9.842 -19.080 1.00 33.31 ATOM 785 CD GLN 50 -30.499 -8.899 -20.886 1.00 44.14 ATOM 786 OE1 GLN 50 -30.088 -9.780 -21.638 1.00 71.24 ATOM 787 NE2 GLN 50 -31.363 -7.987 -21.281 1.00 64.42 ATOM 788 HE21 GLN 50 -31.669 -7.327 -20.622 1.00 21.35 ATOM 789 HE22 GLN 50 -31.675 -8.019 -22.206 1.00 52.21 ATOM 790 C GLN 50 -26.968 -7.501 -17.516 1.00 43.45 ATOM 791 O GLN 50 -26.159 -8.423 -17.400 1.00 51.53 ATOM 792 N LEU 51 -26.600 -6.220 -17.453 1.00 74.01 ATOM 793 HN LEU 51 -27.265 -5.519 -17.628 1.00 37.86 ATOM 794 CA LEU 51 -25.215 -5.843 -17.144 1.00 72.44 ATOM 795 HA LEU 51 -24.570 -6.379 -17.827 1.00 51.42 ATOM 796 CB LEU 51 -24.998 -4.336 -17.337 1.00 32.04 ATOM 797 HB1 LEU 51 -25.687 -3.808 -16.693 1.00 37.86 ATOM 798 HB2 LEU 51 -25.233 -4.087 -18.365 1.00 44.33 ATOM 799 CG LEU 51 -23.572 -3.841 -17.027 1.00 50.23 ATOM 800 HG LEU 51 -23.336 -4.080 -15.999 1.00 73.20 ATOM 801 CD1 LEU 51 -22.549 -4.550 -17.909 1.00 53.20 ATOM 802 HD11 LEU 51 -22.546 -5.606 -17.680 1.00 24.12 ATOM 803 HD12 LEU 51 -21.568 -4.140 -17.724 1.00 72.42 ATOM 804 HD13 LEU 51 -22.807 -4.408 -18.950 1.00 60.01 ATOM 805 CD2 LEU 51 -23.471 -2.326 -17.189 1.00 52.24 ATOM 806 HD21 LEU 51 -22.463 -2.006 -16.968 1.00 63.54 ATOM 807 HD22 LEU 51 -24.157 -1.843 -16.509 1.00 21.15 ATOM 808 HD23 LEU 51 -23.719 -2.053 -18.206 1.00 43.20 ATOM 809 C LEU 51 -24.843 -6.243 -15.705 1.00 24.50 ATOM 810 O LEU 51 -23.855 -6.949 -15.478 1.00 72.43 ATOM 811 N LYS 52 -25.646 -5.799 -14.734 1.00 0.01 ATOM 812 HN LYS 52 -26.409 -5.228 -14.966 1.00 37.86 ATOM 813 CA LYS 52 -25.409 -6.149 -13.330 1.00 61.00 ATOM 814 HA LYS 52 -24.408 -5.825 -13.078 1.00 3.24 ATOM 815 CB LYS 52 -26.406 -5.431 -12.402 1.00 5.24 ATOM 816 HB1 LYS 52 -26.343 -4.367 -12.586 1.00 37.86 ATOM 817 HB2 LYS 52 -26.124 -5.624 -11.377 1.00 54.42 ATOM 818 CG LYS 52 -27.861 -5.862 -12.583 1.00 4.41 ATOM 819 HG1 LYS 52 -27.945 -6.916 -12.354 1.00 37.86 ATOM 820 HG2 LYS 52 -28.149 -5.695 -13.611 1.00 51.10 ATOM 821 CD LYS 52 -28.808 -5.080 -11.677 1.00 71.12 ATOM 822 HD1 LYS 52 -29.824 -5.376 -11.897 1.00 37.86 ATOM 823 HD2 LYS 52 -28.692 -4.024 -11.878 1.00 25.12 ATOM 824 CE LYS 52 -28.533 -5.332 -10.197 1.00 33.31 ATOM 825 HE1 LYS 52 -29.164 -4.679 -9.612 1.00 37.86 ATOM 826 HE2 LYS 52 -27.497 -5.106 -9.990 1.00 71.20 ATOM 827 NZ LYS 52 -28.805 -6.741 -9.808 1.00 41.40 ATOM 828 HZ1 LYS 52 -28.625 -6.872 -8.792 1.00 15.20 ATOM 829 HZ2 LYS 52 -28.194 -7.391 -10.341 1.00 22.41 ATOM 830 HZ3 LYS 52 -29.798 -6.983 -10.000 1.00 41.23 ATOM 831 C LYS 52 -25.495 -7.666 -13.127 1.00 3.44 ATOM 832 O LYS 52 -24.749 -8.235 -12.335 1.00 72.02 ATOM 833 N ASP 53 -26.397 -8.315 -13.866 1.00 31.14 ATOM 834 HN ASP 53 -26.960 -7.802 -14.486 1.00 37.86 ATOM 835 CA ASP 53 -26.584 -9.764 -13.775 1.00 70.34 ATOM 836 HA ASP 53 -26.866 -9.993 -12.756 1.00 34.10 ATOM 837 CB ASP 53 -27.715 -10.201 -14.710 1.00 41.24 ATOM 838 HB1 ASP 53 -27.366 -10.160 -15.734 1.00 37.86 ATOM 839 HB2 ASP 53 -28.551 -9.523 -14.595 1.00 70.51 ATOM 840 CG ASP 53 -28.192 -11.609 -14.415 1.00 13.10 ATOM 841 OD1 ASP 53 -28.991 -11.778 -13.468 1.00 5.14 ATOM 842 OD2 ASP 53 -27.773 -12.550 -15.118 1.00 42.21 ATOM 843 C ASP 53 -25.282 -10.516 -14.110 1.00 64.01 ATOM 844 O ASP 53 -24.913 -11.471 -13.423 1.00 64.54 ATOM 845 N GLU 54 -24.595 -10.076 -15.166 1.00 41.01 ATOM 846 HN GLU 54 -24.987 -9.372 -15.728 1.00 37.86 ATOM 847 CA GLU 54 -23.276 -10.621 -15.518 1.00 21.02 ATOM 848 HA GLU 54 -23.384 -11.690 -15.631 1.00 40.44 ATOM 849 CB GLU 54 -22.787 -10.027 -16.852 1.00 63.51 ATOM 850 HB1 GLU 54 -21.711 -10.124 -16.907 1.00 37.86 ATOM 851 HB2 GLU 54 -23.043 -8.977 -16.881 1.00 32.42 ATOM 852 CG GLU 54 -23.385 -10.695 -18.087 1.00 61.22 ATOM 853 HG1 GLU 54 -23.084 -10.140 -18.965 1.00 37.86 ATOM 854 HG2 GLU 54 -24.464 -10.677 -18.007 1.00 34.12 ATOM 855 CD GLU 54 -22.928 -12.140 -18.242 1.00 25.33 ATOM 856 OE1 GLU 54 -23.679 -13.059 -17.855 1.00 71.20 ATOM 857 OE2 GLU 54 -21.801 -12.362 -18.736 1.00 64.12 ATOM 858 C GLU 54 -22.244 -10.348 -14.413 1.00 44.21 ATOM 859 O GLU 54 -21.510 -11.247 -13.998 1.00 72.45 ATOM 860 N LEU 55 -22.200 -9.105 -13.939 1.00 40.02 ATOM 861 HN LEU 55 -22.808 -8.431 -14.317 1.00 37.86 ATOM 862 CA LEU 55 -21.273 -8.712 -12.871 1.00 31.03 ATOM 863 HA LEU 55 -20.270 -8.907 -13.223 1.00 64.41 ATOM 864 CB LEU 55 -21.411 -7.211 -12.584 1.00 42.03 ATOM 865 HB1 LEU 55 -20.753 -6.960 -11.764 1.00 37.86 ATOM 866 HB2 LEU 55 -22.429 -7.017 -12.276 1.00 32.50 ATOM 867 CG LEU 55 -21.075 -6.287 -13.770 1.00 45.42 ATOM 868 HG LEU 55 -21.693 -6.559 -14.616 1.00 4.22 ATOM 869 CD1 LEU 55 -21.381 -4.833 -13.424 1.00 64.14 ATOM 870 HD11 LEU 55 -22.437 -4.727 -13.221 1.00 11.24 ATOM 871 HD12 LEU 55 -21.110 -4.199 -14.256 1.00 1.43 ATOM 872 HD13 LEU 55 -20.816 -4.541 -12.550 1.00 61.15 ATOM 873 CD2 LEU 55 -19.611 -6.451 -14.185 1.00 53.42 ATOM 874 HD21 LEU 55 -18.968 -6.206 -13.351 1.00 45.41 ATOM 875 HD22 LEU 55 -19.392 -5.791 -15.013 1.00 23.54 ATOM 876 HD23 LEU 55 -19.435 -7.473 -14.485 1.00 4.22 ATOM 877 C LEU 55 -21.507 -9.531 -11.586 1.00 70.12 ATOM 878 O LEU 55 -20.564 -9.856 -10.866 1.00 70.21 ATOM 879 N GLU 56 -22.767 -9.864 -11.312 1.00 21.24 ATOM 880 HN GLU 56 -23.481 -9.531 -11.895 1.00 37.86 ATOM 881 CA GLU 56 -23.122 -10.705 -10.161 1.00 54.21 ATOM 882 HA GLU 56 -22.549 -10.363 -9.309 1.00 50.41 ATOM 883 CB GLU 56 -24.618 -10.569 -9.842 1.00 11.31 ATOM 884 HB1 GLU 56 -24.862 -11.232 -9.023 1.00 37.86 ATOM 885 HB2 GLU 56 -25.190 -10.863 -10.712 1.00 45.44 ATOM 886 CG GLU 56 -25.037 -9.157 -9.449 1.00 13.43 ATOM 887 HG1 GLU 56 -24.708 -8.471 -10.217 1.00 37.86 ATOM 888 HG2 GLU 56 -24.559 -8.899 -8.513 1.00 23.44 ATOM 889 CD GLU 56 -26.542 -9.020 -9.286 1.00 30.32 ATOM 890 OE1 GLU 56 -27.025 -9.023 -8.138 1.00 50.32 ATOM 891 OE2 GLU 56 -27.251 -8.901 -10.307 1.00 52.44 ATOM 892 C GLU 56 -22.777 -12.178 -10.428 1.00 63.10 ATOM 893 O GLU 56 -22.291 -12.883 -9.542 1.00 43.12 ATOM 894 N ALA 57 -23.031 -12.632 -11.656 1.00 0.43 ATOM 895 HN ALA 57 -23.459 -12.031 -12.301 1.00 37.86 ATOM 896 CA ALA 57 -22.700 -14.000 -12.069 1.00 24.21 ATOM 897 HA ALA 57 -23.214 -14.682 -11.405 1.00 31.54 ATOM 898 CB ALA 57 -23.197 -14.254 -13.489 1.00 71.01 ATOM 899 HB1 ALA 57 -24.268 -14.115 -13.523 1.00 32.53 ATOM 900 HB2 ALA 57 -22.957 -15.266 -13.781 1.00 45.42 ATOM 901 HB3 ALA 57 -22.723 -13.561 -14.169 1.00 13.52 ATOM 902 C ALA 57 -21.192 -14.258 -11.969 1.00 24.23 ATOM 903 O ALA 57 -20.752 -15.387 -11.740 1.00 62.11 ATOM 904 N LYS 58 -20.405 -13.204 -12.154 1.00 20.00 ATOM 905 HN LYS 58 -20.807 -12.353 -12.434 1.00 37.86 ATOM 906 CA LYS 58 -18.961 -13.270 -11.953 1.00 13.44 ATOM 907 HA LYS 58 -18.634 -14.281 -12.161 1.00 35.54 ATOM 908 CB LYS 58 -18.261 -12.303 -12.916 1.00 1.50 ATOM 909 HB1 LYS 58 -17.191 -12.456 -12.850 1.00 37.86 ATOM 910 HB2 LYS 58 -18.490 -11.289 -12.619 1.00 44.40 ATOM 911 CG LYS 58 -18.682 -12.481 -14.374 1.00 72.51 ATOM 912 HG1 LYS 58 -19.762 -12.432 -14.436 1.00 37.86 ATOM 913 HG2 LYS 58 -18.347 -13.448 -14.720 1.00 22.04 ATOM 914 CD LYS 58 -18.085 -11.403 -15.271 1.00 15.11 ATOM 915 HD1 LYS 58 -17.013 -11.537 -15.313 1.00 37.86 ATOM 916 HD2 LYS 58 -18.309 -10.434 -14.849 1.00 51.32 ATOM 917 CE LYS 58 -18.647 -11.461 -16.689 1.00 3.53 ATOM 918 HE1 LYS 58 -18.162 -10.702 -17.285 1.00 37.86 ATOM 919 HE2 LYS 58 -19.707 -11.262 -16.650 1.00 42.15 ATOM 920 NZ LYS 58 -18.431 -12.787 -17.324 1.00 11.23 ATOM 921 HZ1 LYS 58 -17.427 -13.055 -17.269 1.00 63.12 ATOM 922 HZ2 LYS 58 -18.714 -12.760 -18.324 1.00 5.34 ATOM 923 HZ3 LYS 58 -18.997 -13.512 -16.840 1.00 64.34 ATOM 924 C LYS 58 -18.634 -12.930 -10.487 1.00 0.51 ATOM 925 O LYS 58 -18.314 -11.792 -10.148 1.00 43.14 ATOM 926 N HIS 59 -18.737 -13.934 -9.620 1.00 1.54 ATOM 927 HN HIS 59 -18.854 -14.844 -9.967 1.00 37.86 ATOM 928 CA HIS 59 -18.684 -13.727 -8.165 1.00 52.01 ATOM 929 HA HIS 59 -19.352 -12.908 -7.936 1.00 62.42 ATOM 930 CB HIS 59 -19.208 -14.976 -7.451 1.00 12.43 ATOM 931 HB1 HIS 59 -19.197 -14.807 -6.383 1.00 37.86 ATOM 932 HB2 HIS 59 -18.570 -15.817 -7.685 1.00 52.15 ATOM 933 CG HIS 59 -20.612 -15.328 -7.851 1.00 44.24 ATOM 934 ND1 HIS 59 -20.913 -16.277 -8.806 1.00 63.02 ATOM 935 HD1 HIS 59 -20.261 -16.813 -9.307 1.00 51.41 ATOM 936 CD2 HIS 59 -21.804 -14.846 -7.423 1.00 34.12 ATOM 937 HD2 HIS 59 -21.954 -14.083 -6.673 1.00 5.25 ATOM 938 CE1 HIS 59 -22.220 -16.360 -8.948 1.00 33.32 ATOM 939 HE1 HIS 59 -22.741 -17.022 -9.626 1.00 41.24 ATOM 940 NE2 HIS 59 -22.785 -15.506 -8.122 1.00 0.34 ATOM 941 HE2 HIS 59 -23.735 -15.255 -8.142 1.00 37.86 ATOM 942 C HIS 59 -17.281 -13.351 -7.648 1.00 74.31 ATOM 943 O HIS 59 -17.093 -13.131 -6.449 1.00 42.42 ATOM 944 N TRP 60 -16.300 -13.289 -8.545 1.00 15.31 ATOM 945 HN TRP 60 -16.475 -13.589 -9.459 1.00 37.86 ATOM 946 CA TRP 60 -14.960 -12.801 -8.188 1.00 51.24 ATOM 947 HA TRP 60 -14.767 -13.116 -7.170 1.00 54.11 ATOM 948 CB TRP 60 -13.885 -13.425 -9.099 1.00 71.11 ATOM 949 HB1 TRP 60 -13.821 -14.484 -8.886 1.00 37.86 ATOM 950 HB2 TRP 60 -12.932 -12.969 -8.877 1.00 65.40 ATOM 951 CG TRP 60 -14.134 -13.266 -10.576 1.00 23.43 ATOM 952 CD1 TRP 60 -15.001 -13.994 -11.342 1.00 0.11 ATOM 953 HD1 TRP 60 -15.640 -14.778 -10.960 1.00 44.21 ATOM 954 CD2 TRP 60 -13.486 -12.348 -11.468 1.00 23.24 ATOM 955 NE1 TRP 60 -14.943 -13.575 -12.647 1.00 43.21 ATOM 956 HE1 TRP 60 -15.477 -13.942 -13.384 1.00 73.01 ATOM 957 CE2 TRP 60 -14.021 -12.568 -12.753 1.00 73.11 ATOM 958 CE3 TRP 60 -12.509 -11.358 -11.306 1.00 13.21 ATOM 959 HE3 TRP 60 -12.071 -11.156 -10.337 1.00 14.31 ATOM 960 CZ2 TRP 60 -13.616 -11.836 -13.866 1.00 14.43 ATOM 961 HZ2 TRP 60 -14.034 -12.008 -14.847 1.00 31.43 ATOM 962 CZ3 TRP 60 -12.105 -10.632 -12.415 1.00 13.31 ATOM 963 HZ3 TRP 60 -11.350 -9.865 -12.311 1.00 51.30 ATOM 964 CH2 TRP 60 -12.659 -10.875 -13.680 1.00 52.53 ATOM 965 HH2 TRP 60 -12.313 -10.287 -14.519 1.00 30.24 ATOM 966 C TRP 60 -14.891 -11.259 -8.224 1.00 34.34 ATOM 967 O TRP 60 -13.860 -10.667 -7.900 1.00 11.34 ATOM 968 N ILE 61 -15.996 -10.624 -8.619 1.00 73.52 ATOM 969 HN ILE 61 -16.750 -11.154 -8.954 1.00 37.86 ATOM 970 CA ILE 61 -16.131 -9.159 -8.571 1.00 65.32 ATOM 971 HA ILE 61 -15.162 -8.721 -8.773 1.00 25.14 ATOM 972 CB ILE 61 -17.142 -8.642 -9.646 1.00 23.24 ATOM 973 HB ILE 61 -18.014 -9.282 -9.614 1.00 61.23 ATOM 974 CG1 ILE 61 -16.546 -8.690 -11.064 1.00 62.44 ATOM 975 HG11 ILE 61 -15.718 -7.997 -11.122 1.00 37.86 ATOM 976 HG12 ILE 61 -17.306 -8.389 -11.770 1.00 51.15 ATOM 977 CG2 ILE 61 -17.602 -7.217 -9.330 1.00 34.21 ATOM 978 HG21 ILE 61 -18.082 -7.197 -8.362 1.00 11.00 ATOM 979 HG22 ILE 61 -18.302 -6.886 -10.084 1.00 32.04 ATOM 980 HG23 ILE 61 -16.747 -6.555 -9.320 1.00 61.21 ATOM 981 CD1 ILE 61 -16.047 -10.046 -11.503 1.00 2.04 ATOM 982 HD11 ILE 61 -15.236 -10.361 -10.862 1.00 40.24 ATOM 983 HD12 ILE 61 -15.696 -9.985 -12.522 1.00 51.23 ATOM 984 HD13 ILE 61 -16.851 -10.763 -11.443 1.00 4.34 ATOM 985 C ILE 61 -16.615 -8.705 -7.180 1.00 22.12 ATOM 986 O ILE 61 -17.541 -9.293 -6.616 1.00 13.33 ATOM 987 N ALA 62 -15.993 -7.666 -6.626 1.00 22.51 ATOM 988 HN ALA 62 -15.219 -7.271 -7.084 1.00 37.86 ATOM 989 CA ALA 62 -16.435 -7.101 -5.344 1.00 33.45 ATOM 990 HA ALA 62 -16.797 -7.916 -4.729 1.00 43.02 ATOM 991 CB ALA 62 -15.262 -6.448 -4.618 1.00 2.11 ATOM 992 HB1 ALA 62 -14.481 -7.179 -4.466 1.00 34.35 ATOM 993 HB2 ALA 62 -15.591 -6.070 -3.661 1.00 42.22 ATOM 994 HB3 ALA 62 -14.876 -5.633 -5.213 1.00 32.13 ATOM 995 C ALA 62 -17.581 -6.093 -5.543 1.00 34.33 ATOM 996 O ALA 62 -17.711 -5.481 -6.608 1.00 22.12 ATOM 997 N GLU 63 -18.410 -5.920 -4.513 1.00 24.21 ATOM 998 HN GLU 63 -18.249 -6.417 -3.682 1.00 37.86 ATOM 999 CA GLU 63 -19.565 -5.016 -4.591 1.00 51.35 ATOM 1000 HA GLU 63 -20.261 -5.438 -5.303 1.00 11.43 ATOM 1001 CB GLU 63 -20.258 -4.907 -3.228 1.00 34.22 ATOM 1002 HB1 GLU 63 -19.588 -4.417 -2.534 1.00 37.86 ATOM 1003 HB2 GLU 63 -20.472 -5.903 -2.865 1.00 11.03 ATOM 1004 CG GLU 63 -21.565 -4.120 -3.270 1.00 70.20 ATOM 1005 HG1 GLU 63 -22.265 -4.640 -3.912 1.00 37.86 ATOM 1006 HG2 GLU 63 -21.367 -3.141 -3.681 1.00 22.40 ATOM 1007 CD GLU 63 -22.197 -3.954 -1.898 1.00 74.12 ATOM 1008 OE1 GLU 63 -22.247 -2.815 -1.389 1.00 21.30 ATOM 1009 OE2 GLU 63 -22.642 -4.966 -1.319 1.00 75.42 ATOM 1010 C GLU 63 -19.155 -3.617 -5.075 1.00 74.34 ATOM 1011 O GLU 63 -19.726 -3.092 -6.028 1.00 44.41 ATOM 1012 N ALA 64 -18.152 -3.032 -4.420 1.00 14.23 ATOM 1013 HN ALA 64 -17.735 -3.510 -3.671 1.00 37.86 ATOM 1014 CA ALA 64 -17.658 -1.694 -4.775 1.00 14.53 ATOM 1015 HA ALA 64 -18.425 -0.978 -4.513 1.00 11.15 ATOM 1016 CB ALA 64 -16.413 -1.368 -3.958 1.00 54.43 ATOM 1017 HB1 ALA 64 -15.624 -2.064 -4.205 1.00 21.13 ATOM 1018 HB2 ALA 64 -16.642 -1.444 -2.905 1.00 61.30 ATOM 1019 HB3 ALA 64 -16.087 -0.362 -4.182 1.00 5.11 ATOM 1020 C ALA 64 -17.354 -1.565 -6.278 1.00 32.02 ATOM 1021 O ALA 64 -17.691 -0.562 -6.908 1.00 62.11 ATOM 1022 N ASP 65 -16.738 -2.597 -6.848 1.00 54.11 ATOM 1023 HN ASP 65 -16.541 -3.392 -6.309 1.00 37.86 ATOM 1024 CA ASP 65 -16.344 -2.578 -8.258 1.00 35.41 ATOM 1025 HA ASP 65 -15.774 -1.673 -8.426 1.00 63.33 ATOM 1026 CB ASP 65 -15.453 -3.779 -8.570 1.00 44.42 ATOM 1027 HB1 ASP 65 -15.102 -3.706 -9.591 1.00 37.86 ATOM 1028 HB2 ASP 65 -16.031 -4.686 -8.458 1.00 40.44 ATOM 1029 CG ASP 65 -14.246 -3.855 -7.654 1.00 22.01 ATOM 1030 OD1 ASP 65 -13.953 -4.953 -7.139 1.00 61.42 ATOM 1031 OD2 ASP 65 -13.594 -2.816 -7.427 1.00 71.44 ATOM 1032 C ASP 65 -17.565 -2.569 -9.193 1.00 1.43 ATOM 1033 O ASP 65 -17.663 -1.726 -10.093 1.00 45.31 ATOM 1034 N ARG 66 -18.502 -3.501 -8.981 1.00 14.45 ATOM 1035 HN ARG 66 -18.380 -4.151 -8.255 1.00 37.86 ATOM 1036 CA ARG 66 -19.704 -3.562 -9.821 1.00 35.41 ATOM 1037 HA ARG 66 -19.366 -3.565 -10.850 1.00 14.20 ATOM 1038 CB ARG 66 -20.521 -4.848 -9.580 1.00 24.14 ATOM 1039 HB1 ARG 66 -19.910 -5.698 -9.854 1.00 37.86 ATOM 1040 HB2 ARG 66 -21.388 -4.828 -10.227 1.00 11.41 ATOM 1041 CG ARG 66 -21.006 -5.053 -8.145 1.00 20.54 ATOM 1042 HG1 ARG 66 -21.470 -4.141 -7.798 1.00 37.86 ATOM 1043 HG2 ARG 66 -20.158 -5.288 -7.518 1.00 61.45 ATOM 1044 CD ARG 66 -22.024 -6.192 -8.056 1.00 30.23 ATOM 1045 HD1 ARG 66 -21.609 -7.069 -8.532 1.00 37.86 ATOM 1046 HD2 ARG 66 -22.922 -5.896 -8.582 1.00 64.12 ATOM 1047 NE ARG 66 -22.371 -6.529 -6.673 1.00 42.15 ATOM 1048 HE ARG 66 -21.635 -6.703 -6.054 1.00 24.11 ATOM 1049 CZ ARG 66 -23.591 -6.647 -6.223 1.00 70.10 ATOM 1050 NH1 ARG 66 -24.607 -6.412 -6.991 1.00 2.24 ATOM 1051 HH11 ARG 66 -24.462 -6.138 -7.932 1.00 1.13 ATOM 1052 HH12 ARG 66 -25.534 -6.507 -6.633 1.00 62.34 ATOM 1053 NH2 ARG 66 -23.794 -7.005 -4.999 1.00 74.22 ATOM 1054 HH21 ARG 66 -23.017 -7.191 -4.402 1.00 61.20 ATOM 1055 HH22 ARG 66 -24.727 -7.095 -4.650 1.00 23.01 ATOM 1056 C ARG 66 -20.586 -2.324 -9.620 1.00 54.24 ATOM 1057 O ARG 66 -21.143 -1.794 -10.577 1.00 22.10 ATOM 1058 N ILE 67 -20.697 -1.852 -8.379 1.00 13.24 ATOM 1059 HN ILE 67 -20.245 -2.320 -7.645 1.00 37.86 ATOM 1060 CA ILE 67 -21.475 -0.644 -8.089 1.00 73.23 ATOM 1061 HA ILE 67 -22.471 -0.797 -8.485 1.00 34.31 ATOM 1062 CB ILE 67 -21.597 -0.394 -6.562 1.00 24.33 ATOM 1063 HB ILE 67 -20.598 -0.324 -6.153 1.00 25.52 ATOM 1064 CG1 ILE 67 -22.333 -1.562 -5.882 1.00 72.11 ATOM 1065 HG11 ILE 67 -22.409 -1.361 -4.822 1.00 37.86 ATOM 1066 HG12 ILE 67 -21.764 -2.468 -6.027 1.00 73.51 ATOM 1067 CG2 ILE 67 -22.316 0.923 -6.275 1.00 3.34 ATOM 1068 HG21 ILE 67 -23.299 0.903 -6.720 1.00 53.11 ATOM 1069 HG22 ILE 67 -21.750 1.744 -6.691 1.00 30.11 ATOM 1070 HG23 ILE 67 -22.408 1.057 -5.206 1.00 2.53 ATOM 1071 CD1 ILE 67 -23.733 -1.808 -6.412 1.00 65.33 ATOM 1072 HD11 ILE 67 -23.680 -2.085 -7.454 1.00 42.32 ATOM 1073 HD12 ILE 67 -24.325 -0.910 -6.308 1.00 60.34 ATOM 1074 HD13 ILE 67 -24.193 -2.609 -5.851 1.00 1.30 ATOM 1075 C ILE 67 -20.860 0.585 -8.780 1.00 73.35 ATOM 1076 O ILE 67 -21.580 1.443 -9.288 1.00 2.40 ATOM 1077 N ASN 68 -19.527 0.652 -8.814 1.00 51.12 ATOM 1078 HN ASN 68 -19.004 -0.026 -8.337 1.00 37.86 ATOM 1079 CA ASN 68 -18.819 1.720 -9.535 1.00 24.12 ATOM 1080 HA ASN 68 -19.036 2.655 -9.039 1.00 3.11 ATOM 1081 CB ASN 68 -17.302 1.473 -9.496 1.00 70.53 ATOM 1082 HB1 ASN 68 -17.093 0.492 -9.899 1.00 37.86 ATOM 1083 HB2 ASN 68 -16.964 1.515 -8.471 1.00 44.53 ATOM 1084 CG ASN 68 -16.519 2.502 -10.301 1.00 11.33 ATOM 1085 OD1 ASN 68 -16.903 3.664 -10.395 1.00 42.03 ATOM 1086 ND2 ASN 68 -15.423 2.082 -10.899 1.00 62.54 ATOM 1087 HD21 ASN 68 -15.169 1.144 -10.794 1.00 10.20 ATOM 1088 HD22 ASN 68 -14.917 2.727 -11.430 1.00 61.23 ATOM 1089 C ASN 68 -19.293 1.813 -10.996 1.00 23.03 ATOM 1090 O ASN 68 -19.809 2.847 -11.435 1.00 31.31 ATOM 1091 N VAL 69 -19.133 0.720 -11.740 1.00 2.52 ATOM 1092 HN VAL 69 -18.747 -0.086 -11.330 1.00 37.86 ATOM 1093 CA VAL 69 -19.518 0.694 -13.153 1.00 42.02 ATOM 1094 HA VAL 69 -19.052 1.550 -13.626 1.00 32.35 ATOM 1095 CB VAL 69 -18.995 -0.580 -13.867 1.00 11.13 ATOM 1096 HB VAL 69 -19.325 -0.550 -14.898 1.00 34.41 ATOM 1097 CG1 VAL 69 -17.464 -0.610 -13.861 1.00 74.32 ATOM 1098 HG11 VAL 69 -17.105 -0.574 -12.842 1.00 72.10 ATOM 1099 HG12 VAL 69 -17.082 0.242 -14.405 1.00 4.42 ATOM 1100 HG13 VAL 69 -17.119 -1.520 -14.331 1.00 22.34 ATOM 1101 CG2 VAL 69 -19.562 -1.841 -13.221 1.00 64.42 ATOM 1102 HG21 VAL 69 -20.642 -1.823 -13.278 1.00 12.21 ATOM 1103 HG22 VAL 69 -19.259 -1.885 -12.185 1.00 44.21 ATOM 1104 HG23 VAL 69 -19.191 -2.711 -13.741 1.00 53.31 ATOM 1105 C VAL 69 -21.043 0.821 -13.341 1.00 45.24 ATOM 1106 O VAL 69 -21.503 1.383 -14.333 1.00 41.32 ATOM 1107 N LEU 70 -21.825 0.319 -12.381 1.00 32.12 ATOM 1108 HN LEU 70 -21.414 -0.142 -11.620 1.00 37.86 ATOM 1109 CA LEU 70 -23.291 0.430 -12.448 1.00 73.32 ATOM 1110 HA LEU 70 -23.592 0.115 -13.437 1.00 64.11 ATOM 1111 CB LEU 70 -23.960 -0.494 -11.418 1.00 32.42 ATOM 1112 HB1 LEU 70 -25.004 -0.220 -11.339 1.00 37.86 ATOM 1113 HB2 LEU 70 -23.490 -0.325 -10.458 1.00 21.33 ATOM 1114 CG LEU 70 -23.881 -1.997 -11.734 1.00 22.34 ATOM 1115 HG LEU 70 -22.842 -2.290 -11.786 1.00 61.40 ATOM 1116 CD1 LEU 70 -24.538 -2.816 -10.626 1.00 34.32 ATOM 1117 HD11 LEU 70 -24.054 -2.603 -9.684 1.00 64.55 ATOM 1118 HD12 LEU 70 -24.440 -3.869 -10.849 1.00 14.14 ATOM 1119 HD13 LEU 70 -25.586 -2.559 -10.559 1.00 42.53 ATOM 1120 CD2 LEU 70 -24.524 -2.306 -13.088 1.00 70.45 ATOM 1121 HD21 LEU 70 -24.012 -1.758 -13.866 1.00 72.55 ATOM 1122 HD22 LEU 70 -25.565 -2.017 -13.071 1.00 55.42 ATOM 1123 HD23 LEU 70 -24.449 -3.365 -13.289 1.00 53.05 ATOM 1124 C LEU 70 -23.769 1.878 -12.245 1.00 5.15 ATOM 1125 O LEU 70 -24.683 2.333 -12.930 1.00 44.54 ATOM 1126 N ASN 71 -23.157 2.597 -11.304 1.00 61.33 ATOM 1127 HN ASN 71 -22.452 2.178 -10.766 1.00 37.86 ATOM 1128 CA ASN 71 -23.515 4.001 -11.054 1.00 12.34 ATOM 1129 HA ASN 71 -24.580 4.040 -10.866 1.00 41.42 ATOM 1130 CB ASN 71 -22.774 4.547 -9.828 1.00 41.24 ATOM 1131 HB1 ASN 71 -22.945 5.613 -9.758 1.00 37.86 ATOM 1132 HB2 ASN 71 -21.715 4.367 -9.948 1.00 43.10 ATOM 1133 CG ASN 71 -23.224 3.908 -8.528 1.00 14.42 ATOM 1134 OD1 ASN 71 -24.362 3.471 -8.389 1.00 61.10 ATOM 1135 ND2 ASN 71 -22.338 3.869 -7.555 1.00 75.14 ATOM 1136 HD21 ASN 71 -21.452 4.247 -7.721 1.00 51.42 ATOM 1137 HD22 ASN 71 -22.605 3.466 -6.704 1.00 43.33 ATOM 1138 C ASN 71 -23.200 4.876 -12.272 1.00 63.53 ATOM 1139 O ASN 71 -24.064 5.600 -12.772 1.00 65.42 ATOM 1140 N GLN 72 -21.960 4.797 -12.754 1.00 52.53 ATOM 1141 HN GLN 72 -21.312 4.203 -12.315 1.00 37.86 ATOM 1142 CA GLN 72 -21.542 5.582 -13.919 1.00 52.25 ATOM 1143 HA GLN 72 -21.747 6.621 -13.695 1.00 24.33 ATOM 1144 CB GLN 72 -20.029 5.423 -14.164 1.00 12.41 ATOM 1145 HB1 GLN 72 -19.503 5.721 -13.267 1.00 37.86 ATOM 1146 HB2 GLN 72 -19.738 6.081 -14.972 1.00 54.00 ATOM 1147 CG GLN 72 -19.597 4.004 -14.525 1.00 71.01 ATOM 1148 HG1 GLN 72 -19.977 3.769 -15.508 1.00 37.86 ATOM 1149 HG2 GLN 72 -20.022 3.321 -13.806 1.00 3.31 ATOM 1150 CD GLN 72 -18.086 3.810 -14.530 1.00 13.10 ATOM 1151 OE1 GLN 72 -17.551 3.030 -15.307 1.00 51.15 ATOM 1152 NE2 GLN 72 -17.389 4.485 -13.638 1.00 21.51 ATOM 1153 HE21 GLN 72 -17.866 5.073 -13.021 1.00 15.43 ATOM 1154 HE22 GLN 72 -16.419 4.361 -13.628 1.00 54.23 ATOM 1155 C GLN 72 -22.354 5.190 -15.169 1.00 3.31 ATOM 1156 O GLN 72 -22.699 6.045 -15.985 1.00 62.34 ATOM 1157 N ALA 73 -22.677 3.897 -15.302 1.00 70.43 ATOM 1158 HN ALA 73 -22.315 3.245 -14.663 1.00 37.86 ATOM 1159 CA ALA 73 -23.551 3.425 -16.384 1.00 52.41 ATOM 1160 HA ALA 73 -23.115 3.741 -17.324 1.00 12.52 ATOM 1161 CB ALA 73 -23.631 1.902 -16.384 1.00 30.11 ATOM 1162 HB1 ALA 73 -24.055 1.561 -15.449 1.00 14.22 ATOM 1163 HB2 ALA 73 -22.639 1.488 -16.499 1.00 63.24 ATOM 1164 HB3 ALA 73 -24.255 1.570 -17.203 1.00 3.32 ATOM 1165 C ALA 73 -24.956 4.030 -16.258 1.00 62.45 ATOM 1166 O ALA 73 -25.530 4.503 -17.240 1.00 60.11 ATOM 1167 N THR 74 -25.502 4.012 -15.037 1.00 55.01 ATOM 1168 HN THR 74 -25.019 3.566 -14.309 1.00 37.86 ATOM 1169 CA THR 74 -26.809 4.630 -14.754 1.00 4.32 ATOM 1170 HA THR 74 -27.562 4.082 -15.306 1.00 74.25 ATOM 1171 CB THR 74 -27.170 4.572 -13.243 1.00 25.53 ATOM 1172 HB THR 74 -26.389 5.070 -12.685 1.00 24.41 ATOM 1173 OG1 THR 74 -27.257 3.211 -12.799 1.00 62.05 ATOM 1174 HG1 THR 74 -26.479 2.994 -12.270 1.00 62.03 ATOM 1175 CG2 THR 74 -28.495 5.279 -12.959 1.00 4.02 ATOM 1176 HG21 THR 74 -29.290 4.786 -13.499 1.00 21.43 ATOM 1177 HG22 THR 74 -28.431 6.310 -13.275 1.00 21.11 ATOM 1178 HG23 THR 74 -28.702 5.240 -11.899 1.00 43.54 ATOM 1179 C THR 74 -26.831 6.096 -15.199 1.00 32.12 ATOM 1180 O THR 74 -27.777 6.549 -15.849 1.00 53.31 ATOM 1181 N GLU 75 -25.777 6.833 -14.846 1.00 63.15 ATOM 1182 HN GLU 75 -25.072 6.426 -14.298 1.00 37.86 ATOM 1183 CA GLU 75 -25.647 8.234 -15.252 1.00 11.22 ATOM 1184 HA GLU 75 -26.503 8.766 -14.857 1.00 20.15 ATOM 1185 CB GLU 75 -24.373 8.861 -14.671 1.00 62.22 ATOM 1186 HB1 GLU 75 -24.246 9.846 -15.099 1.00 37.86 ATOM 1187 HB2 GLU 75 -23.527 8.249 -14.950 1.00 21.11 ATOM 1188 CG GLU 75 -24.382 9.001 -13.153 1.00 41.22 ATOM 1189 HG1 GLU 75 -24.273 8.020 -12.711 1.00 37.86 ATOM 1190 HG2 GLU 75 -25.328 9.428 -12.846 1.00 14.14 ATOM 1191 CD GLU 75 -23.261 9.895 -12.648 1.00 61.14 ATOM 1192 OE1 GLU 75 -22.302 9.385 -12.033 1.00 74.43 ATOM 1193 OE2 GLU 75 -23.339 11.124 -12.867 1.00 31.14 ATOM 1194 C GLU 75 -25.650 8.383 -16.781 1.00 61.00 ATOM 1195 O GLU 75 -26.321 9.256 -17.315 1.00 5.22 ATOM 1196 N VAL 76 -24.896 7.530 -17.478 1.00 31.34 ATOM 1197 HN VAL 76 -24.347 6.874 -16.996 1.00 37.86 ATOM 1198 CA VAL 76 -24.864 7.552 -18.950 1.00 31.11 ATOM 1199 HA VAL 76 -24.518 8.531 -19.257 1.00 40.10 ATOM 1200 CB VAL 76 -23.883 6.493 -19.521 1.00 24.31 ATOM 1201 HB VAL 76 -24.201 5.517 -19.178 1.00 13.43 ATOM 1202 CG1 VAL 76 -23.910 6.492 -21.048 1.00 3.11 ATOM 1203 HG11 VAL 76 -23.660 7.478 -21.414 1.00 61.42 ATOM 1204 HG12 VAL 76 -24.898 6.222 -21.393 1.00 71.30 ATOM 1205 HG13 VAL 76 -23.192 5.777 -21.423 1.00 40.22 ATOM 1206 CG2 VAL 76 -22.463 6.736 -19.012 1.00 14.34 ATOM 1207 HG21 VAL 76 -22.450 6.673 -17.933 1.00 44.11 ATOM 1208 HG22 VAL 76 -22.132 7.717 -19.319 1.00 74.40 ATOM 1209 HG23 VAL 76 -21.799 5.989 -19.424 1.00 74.12 ATOM 1210 C VAL 76 -26.264 7.316 -19.546 1.00 1.21 ATOM 1211 O VAL 76 -26.694 8.027 -20.455 1.00 62.15 ATOM 1212 N ILE 77 -26.969 6.317 -19.018 1.00 44.52 ATOM 1213 HN ILE 77 -26.558 5.769 -18.315 1.00 37.86 ATOM 1214 CA ILE 77 -28.338 6.006 -19.452 1.00 74.45 ATOM 1215 HA ILE 77 -28.306 5.755 -20.504 1.00 13.33 ATOM 1216 CB ILE 77 -28.893 4.780 -18.675 1.00 43.20 ATOM 1217 HB ILE 77 -28.805 4.987 -17.617 1.00 41.42 ATOM 1218 CG1 ILE 77 -28.066 3.522 -19.003 1.00 42.42 ATOM 1219 HG11 ILE 77 -27.028 3.709 -18.762 1.00 37.86 ATOM 1220 HG12 ILE 77 -28.150 3.305 -20.058 1.00 5.11 ATOM 1221 CG2 ILE 77 -30.374 4.553 -18.985 1.00 13.13 ATOM 1222 HG21 ILE 77 -30.736 3.703 -18.423 1.00 32.12 ATOM 1223 HG22 ILE 77 -30.498 4.364 -20.041 1.00 74.24 ATOM 1224 HG23 ILE 77 -30.942 5.432 -18.710 1.00 0.44 ATOM 1225 CD1 ILE 77 -28.500 2.283 -18.245 1.00 63.00 ATOM 1226 HD11 ILE 77 -28.419 2.463 -17.182 1.00 73.21 ATOM 1227 HD12 ILE 77 -27.863 1.455 -18.517 1.00 35.54 ATOM 1228 HD13 ILE 77 -29.524 2.047 -18.494 1.00 10.34 ATOM 1229 C ILE 77 -29.280 7.210 -19.256 1.00 73.22 ATOM 1230 O ILE 77 -29.970 7.643 -20.186 1.00 41.11 ATOM 1231 N ASN 78 -29.289 7.757 -18.045 1.00 25.11 ATOM 1232 HN ASN 78 -28.707 7.379 -17.351 1.00 37.86 ATOM 1233 CA ASN 78 -30.144 8.902 -17.715 1.00 0.54 ATOM 1234 HA ASN 78 -31.142 8.675 -18.068 1.00 64.22 ATOM 1235 CB ASN 78 -30.198 9.096 -16.198 1.00 13.40 ATOM 1236 HB1 ASN 78 -30.729 10.010 -15.973 1.00 37.86 ATOM 1237 HB2 ASN 78 -29.190 9.164 -15.811 1.00 22.44 ATOM 1238 CG ASN 78 -30.908 7.944 -15.504 1.00 44.21 ATOM 1239 OD1 ASN 78 -31.825 7.343 -16.056 1.00 24.42 ATOM 1240 ND2 ASN 78 -30.499 7.625 -14.294 1.00 41.34 ATOM 1241 HD21 ASN 78 -29.765 8.140 -13.903 1.00 43.43 ATOM 1242 HD22 ASN 78 -30.943 6.878 -13.842 1.00 35.34 ATOM 1243 C ASN 78 -29.673 10.194 -18.405 1.00 1.13 ATOM 1244 O ASN 78 -30.474 11.096 -18.656 1.00 53.33 ATOM 1245 N PHE 79 -28.379 10.277 -18.703 1.00 2.32 ATOM 1246 HN PHE 79 -27.781 9.555 -18.420 1.00 37.86 ATOM 1247 CA PHE 79 -27.817 11.421 -19.434 1.00 40.43 ATOM 1248 HA PHE 79 -28.186 12.326 -18.970 1.00 41.53 ATOM 1249 CB PHE 79 -26.282 11.402 -19.347 1.00 41.15 ATOM 1250 HB1 PHE 79 -25.916 10.497 -19.813 1.00 37.86 ATOM 1251 HB2 PHE 79 -25.992 11.399 -18.306 1.00 13.31 ATOM 1252 CG PHE 79 -25.601 12.579 -20.009 1.00 11.54 ATOM 1253 CD1 PHE 79 -24.864 12.412 -21.175 1.00 71.32 ATOM 1254 HD1 PHE 79 -24.782 11.426 -21.614 1.00 53.04 ATOM 1255 CD2 PHE 79 -25.696 13.853 -19.462 1.00 42.30 ATOM 1256 HD2 PHE 79 -26.266 14.000 -18.555 1.00 41.13 ATOM 1257 CE1 PHE 79 -24.236 13.486 -21.775 1.00 31.33 ATOM 1258 HE1 PHE 79 -23.666 13.341 -22.681 1.00 60.02 ATOM 1259 CE2 PHE 79 -25.069 14.930 -20.062 1.00 4.21 ATOM 1260 HE2 PHE 79 -25.152 15.915 -19.626 1.00 12.25 ATOM 1261 CZ PHE 79 -24.340 14.746 -21.219 1.00 50.13 ATOM 1262 HZ PHE 79 -23.850 15.586 -21.690 1.00 70.24 ATOM 1263 C PHE 79 -28.271 11.394 -20.900 1.00 25.33 ATOM 1264 O PHE 79 -28.713 12.405 -21.445 1.00 33.32 ATOM 1265 N TRP 80 -28.167 10.221 -21.526 1.00 5.34 ATOM 1266 HN TRP 80 -27.748 9.470 -21.057 1.00 37.86 ATOM 1267 CA TRP 80 -28.656 10.019 -22.896 1.00 61.31 ATOM 1268 HA TRP 80 -28.075 10.651 -23.552 1.00 55.01 ATOM 1269 CB TRP 80 -28.459 8.548 -23.307 1.00 0.11 ATOM 1270 HB1 TRP 80 -29.008 7.916 -22.623 1.00 37.86 ATOM 1271 HB2 TRP 80 -27.410 8.304 -23.246 1.00 64.24 ATOM 1272 CG TRP 80 -28.922 8.232 -24.701 1.00 71.54 ATOM 1273 CD1 TRP 80 -28.225 8.414 -25.862 1.00 41.24 ATOM 1274 HD1 TRP 80 -27.227 8.826 -25.916 1.00 0.31 ATOM 1275 CD2 TRP 80 -30.185 7.670 -25.078 1.00 34.30 ATOM 1276 NE1 TRP 80 -28.977 8.000 -26.933 1.00 43.43 ATOM 1277 HE1 TRP 80 -28.694 8.028 -27.871 1.00 33.45 ATOM 1278 CE2 TRP 80 -30.185 7.542 -26.478 1.00 53.22 ATOM 1279 CE3 TRP 80 -31.315 7.266 -24.364 1.00 60.50 ATOM 1280 HE3 TRP 80 -31.353 7.346 -23.287 1.00 12.41 ATOM 1281 CZ2 TRP 80 -31.272 7.030 -27.178 1.00 1.03 ATOM 1282 HZ2 TRP 80 -31.265 6.935 -28.254 1.00 30.11 ATOM 1283 CZ3 TRP 80 -32.394 6.754 -25.059 1.00 24.33 ATOM 1284 HZ3 TRP 80 -33.278 6.436 -24.521 1.00 0.23 ATOM 1285 CH2 TRP 80 -32.366 6.639 -26.454 1.00 75.11 ATOM 1286 HH2 TRP 80 -33.233 6.235 -26.957 1.00 2.32 ATOM 1287 C TRP 80 -30.140 10.412 -23.004 1.00 62.23 ATOM 1288 O TRP 80 -30.546 11.127 -23.924 1.00 20.33 ATOM 1289 N GLN 81 -30.939 9.941 -22.046 1.00 4.51 ATOM 1290 HN GLN 81 -30.566 9.324 -21.382 1.00 37.86 ATOM 1291 CA GLN 81 -32.356 10.310 -21.958 1.00 60.05 ATOM 1292 HA GLN 81 -32.834 10.014 -22.882 1.00 22.12 ATOM 1293 CB GLN 81 -33.021 9.567 -20.787 1.00 53.34 ATOM 1294 HB1 GLN 81 -32.484 9.802 -19.876 1.00 37.86 ATOM 1295 HB2 GLN 81 -32.952 8.502 -20.966 1.00 41.11 ATOM 1296 CG GLN 81 -34.492 9.920 -20.579 1.00 15.41 ATOM 1297 HG1 GLN 81 -35.048 9.629 -21.461 1.00 37.86 ATOM 1298 HG2 GLN 81 -34.579 10.988 -20.439 1.00 20.13 ATOM 1299 CD GLN 81 -35.098 9.222 -19.374 1.00 64.23 ATOM 1300 OE1 GLN 81 -35.055 9.730 -18.258 1.00 72.43 ATOM 1301 NE2 GLN 81 -35.669 8.055 -19.586 1.00 42.13 ATOM 1302 HE21 GLN 81 -35.675 7.702 -20.498 1.00 11.14 ATOM 1303 HE22 GLN 81 -36.067 7.591 -18.821 1.00 63.43 ATOM 1304 C GLN 81 -32.520 11.830 -21.778 1.00 53.21 ATOM 1305 O GLN 81 -33.321 12.466 -22.466 1.00 62.20 ATOM 1306 N ASP 82 -31.734 12.400 -20.861 1.00 60.00 ATOM 1307 HN ASP 82 -31.104 11.836 -20.366 1.00 37.86 ATOM 1308 CA ASP 82 -31.771 13.838 -20.570 1.00 11.43 ATOM 1309 HA ASP 82 -32.762 14.074 -20.209 1.00 23.00 ATOM 1310 CB ASP 82 -30.752 14.166 -19.471 1.00 3.50 ATOM 1311 HB1 ASP 82 -29.759 13.925 -19.826 1.00 37.86 ATOM 1312 HB2 ASP 82 -30.969 13.566 -18.599 1.00 35.33 ATOM 1313 CG ASP 82 -30.780 15.626 -19.061 1.00 3.20 ATOM 1314 OD1 ASP 82 -29.715 16.277 -19.075 1.00 2.42 ATOM 1315 OD2 ASP 82 -31.875 16.135 -18.734 1.00 23.43 ATOM 1316 C ASP 82 -31.494 14.673 -21.832 1.00 35.03 ATOM 1317 O ASP 82 -32.098 15.732 -22.044 1.00 12.41 ATOM 1318 N LEU 83 -30.581 14.190 -22.671 1.00 0.30 ATOM 1319 HN LEU 83 -30.090 13.374 -22.424 1.00 37.86 ATOM 1320 CA LEU 83 -30.286 14.845 -23.947 1.00 64.23 ATOM 1321 HA LEU 83 -30.099 15.892 -23.746 1.00 15.13 ATOM 1322 CB LEU 83 -29.037 14.233 -24.596 1.00 30.22 ATOM 1323 HB1 LEU 83 -28.844 14.760 -25.520 1.00 37.86 ATOM 1324 HB2 LEU 83 -29.253 13.199 -24.832 1.00 22.41 ATOM 1325 CG LEU 83 -27.759 14.273 -23.744 1.00 2.54 ATOM 1326 HG LEU 83 -27.902 13.649 -22.874 1.00 53.02 ATOM 1327 CD1 LEU 83 -26.573 13.712 -24.523 1.00 10.41 ATOM 1328 HD11 LEU 83 -26.405 14.307 -25.409 1.00 33.30 ATOM 1329 HD12 LEU 83 -26.780 12.691 -24.810 1.00 51.44 ATOM 1330 HD13 LEU 83 -25.690 13.736 -23.901 1.00 74.23 ATOM 1331 CD2 LEU 83 -27.468 15.692 -23.257 1.00 60.41 ATOM 1332 HD21 LEU 83 -28.302 16.050 -22.668 1.00 63.22 ATOM 1333 HD22 LEU 83 -27.321 16.346 -24.105 1.00 21.12 ATOM 1334 HD23 LEU 83 -26.576 15.688 -22.647 1.00 63.23 ATOM 1335 C LEU 83 -31.472 14.730 -24.913 1.00 63.41 ATOM 1336 O LEU 83 -31.706 15.622 -25.732 1.00 73.22 ATOM 1337 N LYS 84 -32.218 13.630 -24.808 1.00 33.10 ATOM 1338 HN LYS 84 -31.996 12.970 -24.113 1.00 37.86 ATOM 1339 CA LYS 84 -33.358 13.374 -25.695 1.00 62.24 ATOM 1340 HA LYS 84 -33.019 13.508 -26.713 1.00 51.02 ATOM 1341 CB LYS 84 -33.849 11.929 -25.524 1.00 73.23 ATOM 1342 HB1 LYS 84 -34.110 11.771 -24.487 1.00 37.86 ATOM 1343 HB2 LYS 84 -33.050 11.251 -25.790 1.00 62.40 ATOM 1344 CG LYS 84 -35.069 11.594 -26.380 1.00 31.33 ATOM 1345 HG1 LYS 84 -35.793 12.393 -26.285 1.00 37.86 ATOM 1346 HG2 LYS 84 -35.505 10.676 -26.015 1.00 24.14 ATOM 1347 CD LYS 84 -34.713 11.420 -27.858 1.00 35.51 ATOM 1348 HD1 LYS 84 -33.936 12.125 -28.120 1.00 37.86 ATOM 1349 HD2 LYS 84 -35.591 11.615 -28.457 1.00 13.01 ATOM 1350 CE LYS 84 -34.220 10.007 -28.151 1.00 24.40 ATOM 1351 HE1 LYS 84 -33.336 9.817 -27.559 1.00 37.86 ATOM 1352 HE2 LYS 84 -33.973 9.930 -29.201 1.00 24.31 ATOM 1353 NZ LYS 84 -35.253 8.988 -27.820 1.00 44.22 ATOM 1354 HZ1 LYS 84 -36.144 9.204 -28.315 1.00 73.45 ATOM 1355 HZ2 LYS 84 -35.435 8.980 -26.798 1.00 52.43 ATOM 1356 HZ3 LYS 84 -34.931 8.043 -28.107 1.00 64.13 ATOM 1357 C LYS 84 -34.528 14.341 -25.431 1.00 5.41 ATOM 1358 O LYS 84 -35.062 14.945 -26.361 1.00 40.12 ATOM 1359 N ASN 85 -34.922 14.492 -24.164 1.00 40.43 ATOM 1360 HN ASN 85 -34.456 13.998 -23.451 1.00 37.86 ATOM 1361 CA ASN 85 -36.048 15.374 -23.817 1.00 42.32 ATOM 1362 HA ASN 85 -36.862 15.126 -24.486 1.00 14.32 ATOM 1363 CB ASN 85 -36.519 15.134 -22.375 1.00 25.44 ATOM 1364 HB1 ASN 85 -37.005 14.170 -22.321 1.00 37.86 ATOM 1365 HB2 ASN 85 -37.230 15.901 -22.101 1.00 30.31 ATOM 1366 CG ASN 85 -35.384 15.153 -21.372 1.00 11.33 ATOM 1367 OD1 ASN 85 -34.841 14.117 -21.016 1.00 23.04 ATOM 1368 ND2 ASN 85 -35.012 16.327 -20.911 1.00 22.33 ATOM 1369 HD21 ASN 85 -35.483 17.123 -21.232 1.00 4.41 ATOM 1370 HD22 ASN 85 -34.276 16.355 -20.261 1.00 54.54 ATOM 1371 C ASN 85 -35.693 16.854 -24.030 1.00 11.11 ATOM 1372 O ASN 85 -36.535 17.646 -24.463 1.00 43.33 ATOM 1373 N GLN 86 -34.449 17.224 -23.725 1.00 52.01 ATOM 1374 HN GLN 86 -33.843 16.569 -23.313 1.00 37.86 ATOM 1375 CA GLN 86 -33.967 18.588 -23.974 1.00 13.40 ATOM 1376 HA GLN 86 -34.765 19.271 -23.714 1.00 22.01 ATOM 1377 CB GLN 86 -32.749 18.899 -23.095 1.00 23.13 ATOM 1378 HB1 GLN 86 -32.294 19.818 -23.441 1.00 37.86 ATOM 1379 HB2 GLN 86 -32.033 18.095 -23.195 1.00 31.03 ATOM 1380 CG GLN 86 -33.078 19.061 -21.617 1.00 52.40 ATOM 1381 HG1 GLN 86 -33.502 18.135 -21.250 1.00 37.86 ATOM 1382 HG2 GLN 86 -33.802 19.856 -21.507 1.00 12.22 ATOM 1383 CD GLN 86 -31.854 19.402 -20.787 1.00 61.32 ATOM 1384 OE1 GLN 86 -31.507 20.565 -20.614 1.00 53.21 ATOM 1385 NE2 GLN 86 -31.174 18.396 -20.284 1.00 35.44 ATOM 1386 HE21 GLN 86 -31.487 17.485 -20.466 1.00 2.50 ATOM 1387 HE22 GLN 86 -30.387 18.597 -19.740 1.00 34.01 ATOM 1388 C GLN 86 -33.610 18.802 -25.454 1.00 63.33 ATOM 1389 O GLN 86 -33.435 19.938 -25.897 1.00 54.32 ATOM 1390 N ASN 87 -33.491 17.706 -26.206 1.00 4.41 ATOM 1391 HN ASN 87 -33.613 16.829 -25.784 1.00 37.86 ATOM 1392 CA ASN 87 -33.191 17.763 -27.645 1.00 0.21 ATOM 1393 HA ASN 87 -33.116 16.745 -27.998 1.00 72.22 ATOM 1394 CB ASN 87 -34.332 18.461 -28.398 1.00 64.35 ATOM 1395 HB1 ASN 87 -34.072 18.534 -29.446 1.00 37.86 ATOM 1396 HB2 ASN 87 -34.466 19.456 -27.997 1.00 50.24 ATOM 1397 CG ASN 87 -35.649 17.714 -28.283 1.00 21.45 ATOM 1398 OD1 ASN 87 -35.966 16.855 -29.100 1.00 50.55 ATOM 1399 ND2 ASN 87 -36.426 18.034 -27.270 1.00 74.32 ATOM 1400 HD21 ASN 87 -36.119 18.725 -26.650 1.00 43.34 ATOM 1401 HD22 ASN 87 -37.281 17.565 -27.183 1.00 12.34 ATOM 1402 C ASN 87 -31.854 18.472 -27.933 1.00 70.22 ATOM 1403 O ASN 87 -31.677 19.069 -28.999 1.00 25.44 ATOM 1404 N LYS 88 -30.905 18.379 -26.995 1.00 23.34 ATOM 1405 HN LYS 88 -31.097 17.881 -26.174 1.00 37.86 ATOM 1406 CA LYS 88 -29.585 19.010 -27.168 1.00 34.31 ATOM 1407 HA LYS 88 -29.742 20.075 -27.277 1.00 64.10 ATOM 1408 CB LYS 88 -28.687 18.766 -25.940 1.00 61.02 ATOM 1409 HB1 LYS 88 -27.719 19.212 -26.126 1.00 37.86 ATOM 1410 HB2 LYS 88 -28.558 17.700 -25.812 1.00 50.33 ATOM 1411 CG LYS 88 -29.229 19.335 -24.629 1.00 12.04 ATOM 1412 HG1 LYS 88 -30.110 18.779 -24.344 1.00 37.86 ATOM 1413 HG2 LYS 88 -29.488 20.376 -24.777 1.00 5.52 ATOM 1414 CD LYS 88 -28.189 19.237 -23.510 1.00 13.24 ATOM 1415 HD1 LYS 88 -27.361 19.892 -23.746 1.00 37.86 ATOM 1416 HD2 LYS 88 -27.835 18.219 -23.452 1.00 74.50 ATOM 1417 CE LYS 88 -28.757 19.632 -22.150 1.00 21.01 ATOM 1418 HE1 LYS 88 -27.978 19.534 -21.408 1.00 37.86 ATOM 1419 HE2 LYS 88 -29.568 18.961 -21.904 1.00 65.12 ATOM 1420 NZ LYS 88 -29.268 21.028 -22.127 1.00 20.51 ATOM 1421 HZ1 LYS 88 -29.959 21.172 -22.889 1.00 60.42 ATOM 1422 HZ2 LYS 88 -28.487 21.700 -22.254 1.00 34.34 ATOM 1423 HZ3 LYS 88 -29.733 21.225 -21.215 1.00 54.45 ATOM 1424 C LYS 88 -28.876 18.486 -28.429 1.00 51.11 ATOM 1425 O LYS 88 -28.294 19.256 -29.193 1.00 11.14 ATOM 1426 N GLN 89 -28.931 17.164 -28.630 1.00 71.41 ATOM 1427 HN GLN 89 -29.410 16.612 -27.981 1.00 37.86 ATOM 1428 CA GLN 89 -28.314 16.513 -29.799 1.00 31.22 ATOM 1429 HA GLN 89 -28.417 15.446 -29.665 1.00 22.44 ATOM 1430 CB GLN 89 -29.054 16.923 -31.087 1.00 54.21 ATOM 1431 HB1 GLN 89 -28.602 16.412 -31.927 1.00 37.86 ATOM 1432 HB2 GLN 89 -28.945 17.990 -31.228 1.00 71.34 ATOM 1433 CG GLN 89 -30.547 16.593 -31.072 1.00 2.34 ATOM 1434 HG1 GLN 89 -31.012 17.116 -30.248 1.00 37.86 ATOM 1435 HG2 GLN 89 -30.666 15.526 -30.928 1.00 13.41 ATOM 1436 CD GLN 89 -31.257 16.988 -32.360 1.00 52.31 ATOM 1437 OE1 GLN 89 -30.675 16.972 -33.439 1.00 20.22 ATOM 1438 NE2 GLN 89 -32.520 17.346 -32.260 1.00 62.21 ATOM 1439 HE21 GLN 89 -32.937 17.343 -31.375 1.00 75.24 ATOM 1440 HE22 GLN 89 -32.991 17.597 -33.078 1.00 42.32 ATOM 1441 C GLN 89 -26.813 16.843 -29.912 1.00 33.52 ATOM 1442 O GLN 89 -26.290 17.054 -31.007 1.00 22.41 ATOM 1443 N ILE 90 -26.125 16.855 -28.769 1.00 50.31 ATOM 1444 HN ILE 90 -26.588 16.630 -27.940 1.00 37.86 ATOM 1445 CA ILE 90 -24.695 17.199 -28.715 1.00 32.32 ATOM 1446 HA ILE 90 -24.560 18.121 -29.266 1.00 22.13 ATOM 1447 CB ILE 90 -24.235 17.448 -27.254 1.00 52.43 ATOM 1448 HB ILE 90 -23.177 17.679 -27.273 1.00 22.20 ATOM 1449 CG1 ILE 90 -24.456 16.192 -26.390 1.00 3.01 ATOM 1450 HG11 ILE 90 -23.932 15.358 -26.837 1.00 37.86 ATOM 1451 HG12 ILE 90 -25.512 15.969 -26.357 1.00 0.11 ATOM 1452 CG2 ILE 90 -24.967 18.653 -26.658 1.00 71.01 ATOM 1453 HG21 ILE 90 -26.028 18.450 -26.620 1.00 1.13 ATOM 1454 HG22 ILE 90 -24.792 19.523 -27.275 1.00 73.32 ATOM 1455 HG23 ILE 90 -24.601 18.844 -25.659 1.00 52.35 ATOM 1456 CD1 ILE 90 -23.970 16.335 -24.960 1.00 54.21 ATOM 1457 HD11 ILE 90 -22.914 16.560 -24.960 1.00 74.23 ATOM 1458 HD12 ILE 90 -24.141 15.410 -24.428 1.00 24.53 ATOM 1459 HD13 ILE 90 -24.509 17.135 -24.474 1.00 23.13 ATOM 1460 C ILE 90 -23.797 16.118 -29.349 1.00 54.31 ATOM 1461 O ILE 90 -24.273 15.080 -29.822 1.00 12.44 ATOM 1462 N SER 91 -22.491 16.374 -29.352 1.00 24.21 ATOM 1463 HN SER 91 -22.172 17.202 -28.931 1.00 37.86 ATOM 1464 CA SER 91 -21.510 15.465 -29.966 1.00 4.50 ATOM 1465 HA SER 91 -22.006 14.924 -30.758 1.00 1.23 ATOM 1466 CB SER 91 -20.352 16.271 -30.571 1.00 31.35 ATOM 1467 HB1 SER 91 -20.744 16.980 -31.286 1.00 37.86 ATOM 1468 HB2 SER 91 -19.668 15.600 -31.070 1.00 62.32 ATOM 1469 OG SER 91 -19.641 16.981 -29.567 1.00 51.02 ATOM 1470 HG SER 91 -20.003 17.873 -29.492 1.00 24.01 ATOM 1471 C SER 91 -20.940 14.457 -28.956 1.00 53.33 ATOM 1472 O SER 91 -21.064 14.628 -27.739 1.00 3.20 ATOM 1473 N MET 92 -20.297 13.409 -29.476 1.00 32.10 ATOM 1474 HN MET 92 -20.274 13.304 -30.454 1.00 37.86 ATOM 1475 CA MET 92 -19.625 12.406 -28.639 1.00 70.31 ATOM 1476 HA MET 92 -20.372 11.967 -27.990 1.00 60.15 ATOM 1477 CB MET 92 -19.035 11.301 -29.535 1.00 74.34 ATOM 1478 HB1 MET 92 -18.417 11.765 -30.292 1.00 37.86 ATOM 1479 HB2 MET 92 -19.847 10.783 -30.022 1.00 22.41 ATOM 1480 CG MET 92 -18.188 10.264 -28.802 1.00 13.43 ATOM 1481 HG1 MET 92 -18.064 9.403 -29.442 1.00 37.86 ATOM 1482 HG2 MET 92 -18.703 9.967 -27.899 1.00 2.50 ATOM 1483 SD MET 92 -16.555 10.891 -28.353 1.00 10.21 ATOM 1484 CE MET 92 -15.817 9.436 -27.611 1.00 52.42 ATOM 1485 HE1 MET 92 -15.814 8.627 -28.328 1.00 13.40 ATOM 1486 HE2 MET 92 -16.388 9.146 -26.743 1.00 22.14 ATOM 1487 HE3 MET 92 -14.802 9.658 -27.315 1.00 30.41 ATOM 1488 C MET 92 -18.534 13.052 -27.763 1.00 32.42 ATOM 1489 O MET 92 -18.358 12.684 -26.598 1.00 24.15 ATOM 1490 N ALA 93 -17.821 14.031 -28.325 1.00 72.53 ATOM 1491 HN ALA 93 -17.983 14.257 -29.267 1.00 37.86 ATOM 1492 CA ALA 93 -16.797 14.775 -27.581 1.00 55.40 ATOM 1493 HA ALA 93 -16.051 14.066 -27.244 1.00 21.14 ATOM 1494 CB ALA 93 -16.109 15.787 -28.493 1.00 73.10 ATOM 1495 HB1 ALA 93 -15.707 15.279 -29.358 1.00 1.54 ATOM 1496 HB2 ALA 93 -15.305 16.270 -27.955 1.00 65.34 ATOM 1497 HB3 ALA 93 -16.825 16.531 -28.813 1.00 11.42 ATOM 1498 C ALA 93 -17.399 15.482 -26.357 1.00 53.53 ATOM 1499 O ALA 93 -16.792 15.524 -25.285 1.00 3.02 ATOM 1500 N GLU 94 -18.601 16.033 -26.520 1.00 24.31 ATOM 1501 HN GLU 94 -19.022 16.002 -27.408 1.00 37.86 ATOM 1502 CA GLU 94 -19.308 16.693 -25.416 1.00 74.34 ATOM 1503 HA GLU 94 -18.608 17.368 -24.943 1.00 60.51 ATOM 1504 CB GLU 94 -20.485 17.514 -25.955 1.00 64.34 ATOM 1505 HB1 GLU 94 -21.030 17.935 -25.122 1.00 37.86 ATOM 1506 HB2 GLU 94 -21.143 16.862 -26.514 1.00 21.40 ATOM 1507 CG GLU 94 -20.044 18.656 -26.866 1.00 21.42 ATOM 1508 HG1 GLU 94 -19.438 18.246 -27.662 1.00 37.86 ATOM 1509 HG2 GLU 94 -19.448 19.350 -26.289 1.00 42.25 ATOM 1510 CD GLU 94 -21.207 19.413 -27.483 1.00 31.24 ATOM 1511 OE1 GLU 94 -21.704 20.370 -26.853 1.00 24.24 ATOM 1512 OE2 GLU 94 -21.619 19.058 -28.606 1.00 72.21 ATOM 1513 C GLU 94 -19.776 15.675 -24.364 1.00 15.23 ATOM 1514 O GLU 94 -19.830 15.980 -23.172 1.00 72.13 ATOM 1515 N ALA 95 -20.103 14.462 -24.807 1.00 51.32 ATOM 1516 HN ALA 95 -20.153 14.305 -25.775 1.00 37.86 ATOM 1517 CA ALA 95 -20.400 13.359 -23.884 1.00 21.53 ATOM 1518 HA ALA 95 -21.219 13.669 -23.249 1.00 34.01 ATOM 1519 CB ALA 95 -20.839 12.120 -24.659 1.00 33.20 ATOM 1520 HB1 ALA 95 -21.689 12.365 -25.278 1.00 71.12 ATOM 1521 HB2 ALA 95 -21.114 11.337 -23.965 1.00 64.11 ATOM 1522 HB3 ALA 95 -20.027 11.777 -25.284 1.00 43.45 ATOM 1523 C ALA 95 -19.177 13.048 -23.001 1.00 70.35 ATOM 1524 O ALA 95 -19.307 12.768 -21.807 1.00 51.13 ATOM 1525 N GLN 96 -17.985 13.121 -23.603 1.00 51.03 ATOM 1526 HN GLN 96 -17.955 13.273 -24.573 1.00 37.86 ATOM 1527 CA GLN 96 -16.719 12.972 -22.867 1.00 55.13 ATOM 1528 HA GLN 96 -16.757 12.030 -22.337 1.00 23.20 ATOM 1529 CB GLN 96 -15.534 12.944 -23.846 1.00 14.12 ATOM 1530 HB1 GLN 96 -14.614 13.029 -23.283 1.00 37.86 ATOM 1531 HB2 GLN 96 -15.612 13.792 -24.513 1.00 12.23 ATOM 1532 CG GLN 96 -15.459 11.677 -24.691 1.00 3.31 ATOM 1533 HG1 GLN 96 -14.732 11.826 -25.477 1.00 37.86 ATOM 1534 HG2 GLN 96 -16.429 11.494 -25.133 1.00 72.33 ATOM 1535 CD GLN 96 -15.056 10.455 -23.882 1.00 41.15 ATOM 1536 OE1 GLN 96 -13.880 10.127 -23.774 1.00 23.25 ATOM 1537 NE2 GLN 96 -16.021 9.781 -23.294 1.00 62.42 ATOM 1538 HE21 GLN 96 -16.939 10.096 -23.403 1.00 2.13 ATOM 1539 HE22 GLN 96 -15.776 8.989 -22.771 1.00 2.03 ATOM 1540 C GLN 96 -16.524 14.102 -21.841 1.00 25.01 ATOM 1541 O GLN 96 -15.696 13.998 -20.934 1.00 55.12 ATOM 1542 N GLY 97 -17.280 15.187 -22.002 1.00 43.31 ATOM 1543 HN GLY 97 -17.855 15.255 -22.792 1.00 37.86 ATOM 1544 CA GLY 97 -17.259 16.273 -21.030 1.00 53.11 ATOM 1545 HA1 GLY 97 -17.835 17.100 -21.420 1.00 37.86 ATOM 1546 HA2 GLY 97 -16.238 16.597 -20.887 1.00 21.05 ATOM 1547 C GLY 97 -17.843 15.859 -19.682 1.00 40.31 ATOM 1548 O GLY 97 -17.325 16.226 -18.627 1.00 41.32 ATOM 1549 N LYS 98 -18.921 15.080 -19.725 1.00 12.14 ATOM 1550 HN LYS 98 -19.300 14.844 -20.598 1.00 37.86 ATOM 1551 CA LYS 98 -19.561 14.572 -18.507 1.00 4.31 ATOM 1552 HA LYS 98 -19.466 15.328 -17.738 1.00 55.15 ATOM 1553 CB LYS 98 -21.059 14.303 -18.768 1.00 12.00 ATOM 1554 HB1 LYS 98 -21.182 13.271 -19.070 1.00 37.86 ATOM 1555 HB2 LYS 98 -21.387 14.939 -19.578 1.00 32.20 ATOM 1556 CG LYS 98 -21.980 14.561 -17.567 1.00 20.41 ATOM 1557 HG1 LYS 98 -23.002 14.374 -17.871 1.00 37.86 ATOM 1558 HG2 LYS 98 -21.882 15.596 -17.274 1.00 11.54 ATOM 1559 CD LYS 98 -21.653 13.681 -16.360 1.00 24.40 ATOM 1560 HD1 LYS 98 -20.634 13.870 -16.053 1.00 37.86 ATOM 1561 HD2 LYS 98 -21.757 12.643 -16.641 1.00 34.33 ATOM 1562 CE LYS 98 -22.585 13.971 -15.186 1.00 40.15 ATOM 1563 HE1 LYS 98 -23.590 13.689 -15.466 1.00 37.86 ATOM 1564 HE2 LYS 98 -22.558 15.029 -14.975 1.00 3.21 ATOM 1565 NZ LYS 98 -22.200 13.227 -13.957 1.00 71.14 ATOM 1566 HZ1 LYS 98 -22.403 12.211 -14.066 1.00 2.35 ATOM 1567 HZ2 LYS 98 -22.732 13.587 -13.139 1.00 22.12 ATOM 1568 HZ3 LYS 98 -21.185 13.346 -13.769 1.00 12.52 ATOM 1569 C LYS 98 -18.860 13.285 -18.030 1.00 11.33 ATOM 1570 O LYS 98 -18.620 13.101 -16.836 1.00 24.04 ATOM 1571 N PHE 99 -18.515 12.404 -18.976 1.00 41.11 ATOM 1572 HN PHE 99 -18.678 12.631 -19.916 1.00 37.86 ATOM 1573 CA PHE 99 -17.903 11.104 -18.649 1.00 74.42 ATOM 1574 HA PHE 99 -17.771 11.057 -17.576 1.00 21.01 ATOM 1575 CB PHE 99 -18.837 9.965 -19.079 1.00 41.22 ATOM 1576 HB1 PHE 99 -18.436 9.026 -18.721 1.00 37.86 ATOM 1577 HB2 PHE 99 -18.886 9.937 -20.159 1.00 12.42 ATOM 1578 CG PHE 99 -20.242 10.100 -18.554 1.00 41.44 ATOM 1579 CD1 PHE 99 -21.257 10.594 -19.362 1.00 3.51 ATOM 1580 HD1 PHE 99 -21.032 10.879 -20.381 1.00 53.42 ATOM 1581 CD2 PHE 99 -20.547 9.739 -17.252 1.00 23.31 ATOM 1582 HD2 PHE 99 -19.765 9.354 -16.612 1.00 23.14 ATOM 1583 CE1 PHE 99 -22.543 10.725 -18.880 1.00 43.22 ATOM 1584 HE1 PHE 99 -23.322 11.113 -19.519 1.00 2.20 ATOM 1585 CE2 PHE 99 -21.831 9.868 -16.766 1.00 52.45 ATOM 1586 HE2 PHE 99 -22.056 9.582 -15.750 1.00 62.12 ATOM 1587 CZ PHE 99 -22.831 10.360 -17.580 1.00 64.42 ATOM 1588 HZ PHE 99 -23.838 10.462 -17.199 1.00 52.13 ATOM 1589 C PHE 99 -16.523 10.925 -19.316 1.00 1.23 ATOM 1590 O PHE 99 -16.370 10.128 -20.245 1.00 41.13 ATOM 1591 N PRO 100 -15.489 11.650 -18.843 1.00 74.04 ATOM 1592 CA PRO 100 -14.132 11.548 -19.413 1.00 25.41 ATOM 1593 HA PRO 100 -14.145 11.670 -20.487 1.00 33.02 ATOM 1594 CB PRO 100 -13.396 12.729 -18.770 1.00 21.44 ATOM 1595 HB1 PRO 100 -13.472 13.597 -19.410 1.00 37.86 ATOM 1596 HB2 PRO 100 -12.355 12.476 -18.621 1.00 14.53 ATOM 1597 CG PRO 100 -14.100 12.947 -17.473 1.00 63.31 ATOM 1598 HG1 PRO 100 -13.995 13.978 -17.167 1.00 37.86 ATOM 1599 HG2 PRO 100 -13.692 12.287 -16.718 1.00 31.45 ATOM 1600 CD PRO 100 -15.550 12.620 -17.730 1.00 72.43 ATOM 1601 HD1 PRO 100 -16.093 13.508 -18.023 1.00 37.86 ATOM 1602 HD2 PRO 100 -16.001 12.174 -16.853 1.00 42.31 ATOM 1603 C PRO 100 -13.437 10.222 -19.061 1.00 13.40 ATOM 1604 O PRO 100 -12.452 9.833 -19.693 1.00 73.12 ATOM 1605 N GLU 101 -13.954 9.535 -18.046 1.00 14.12 ATOM 1606 HN GLU 101 -14.737 9.893 -17.582 1.00 37.86 ATOM 1607 CA GLU 101 -13.379 8.262 -17.593 1.00 44.45 ATOM 1608 HA GLU 101 -12.359 8.215 -17.952 1.00 32.44 ATOM 1609 CB GLU 101 -13.361 8.218 -16.057 1.00 62.04 ATOM 1610 HB1 GLU 101 -12.825 7.335 -15.737 1.00 37.86 ATOM 1611 HB2 GLU 101 -14.378 8.163 -15.695 1.00 23.40 ATOM 1612 CG GLU 101 -12.691 9.439 -15.430 1.00 30.42 ATOM 1613 HG1 GLU 101 -13.296 10.310 -15.640 1.00 37.86 ATOM 1614 HG2 GLU 101 -11.716 9.570 -15.881 1.00 73.53 ATOM 1615 CD GLU 101 -12.518 9.322 -13.924 1.00 23.40 ATOM 1616 OE1 GLU 101 -13.518 9.464 -13.187 1.00 15.32 ATOM 1617 OE2 GLU 101 -11.377 9.098 -13.470 1.00 11.10 ATOM 1618 C GLU 101 -14.148 7.058 -18.165 1.00 73.12 ATOM 1619 O GLU 101 -13.874 5.911 -17.815 1.00 74.25 ATOM 1620 N VAL 102 -15.106 7.330 -19.057 1.00 61.25 ATOM 1621 HN VAL 102 -15.298 8.268 -19.281 1.00 37.86 ATOM 1622 CA VAL 102 -15.875 6.272 -19.726 1.00 53.03 ATOM 1623 HA VAL 102 -15.602 5.323 -19.279 1.00 72.22 ATOM 1624 CB VAL 102 -17.403 6.475 -19.538 1.00 13.04 ATOM 1625 HB VAL 102 -17.669 7.438 -19.953 1.00 72.33 ATOM 1626 CG1 VAL 102 -18.198 5.403 -20.284 1.00 22.44 ATOM 1627 HG11 VAL 102 -17.953 4.428 -19.888 1.00 35.24 ATOM 1628 HG12 VAL 102 -17.951 5.436 -21.336 1.00 40.41 ATOM 1629 HG13 VAL 102 -19.256 5.587 -20.160 1.00 62.53 ATOM 1630 CG2 VAL 102 -17.768 6.482 -18.053 1.00 31.50 ATOM 1631 HG21 VAL 102 -18.835 6.620 -17.943 1.00 70.55 ATOM 1632 HG22 VAL 102 -17.251 7.291 -17.557 1.00 12.10 ATOM 1633 HG23 VAL 102 -17.480 5.542 -17.604 1.00 53.04 ATOM 1634 C VAL 102 -15.543 6.226 -21.227 1.00 34.51 ATOM 1635 O VAL 102 -15.498 7.262 -21.895 1.00 14.01 ATOM 1636 N VAL 103 -15.316 5.024 -21.754 1.00 10.25 ATOM 1637 HN VAL 103 -15.436 4.227 -21.191 1.00 37.86 ATOM 1638 CA VAL 103 -14.903 4.855 -23.156 1.00 31.42 ATOM 1639 HA VAL 103 -14.350 5.740 -23.448 1.00 22.30 ATOM 1640 CB VAL 103 -13.966 3.628 -23.321 1.00 61.14 ATOM 1641 HB VAL 103 -14.531 2.737 -23.079 1.00 61.11 ATOM 1642 CG1 VAL 103 -13.479 3.500 -24.766 1.00 35.53 ATOM 1643 HG11 VAL 103 -12.922 4.385 -25.040 1.00 14.12 ATOM 1644 HG12 VAL 103 -14.327 3.392 -25.426 1.00 71.34 ATOM 1645 HG13 VAL 103 -12.841 2.631 -24.858 1.00 74.41 ATOM 1646 CG2 VAL 103 -12.784 3.716 -22.354 1.00 55.02 ATOM 1647 HG21 VAL 103 -12.198 4.596 -22.577 1.00 4.02 ATOM 1648 HG22 VAL 103 -12.165 2.836 -22.456 1.00 2.51 ATOM 1649 HG23 VAL 103 -13.151 3.779 -21.339 1.00 5.22 ATOM 1650 C VAL 103 -16.113 4.696 -24.095 1.00 13.24 ATOM 1651 O VAL 103 -16.759 3.649 -24.124 1.00 71.41 ATOM 1652 N PHE 104 -16.412 5.737 -24.868 1.00 51.31 ATOM 1653 HN PHE 104 -15.859 6.545 -24.810 1.00 37.86 ATOM 1654 CA PHE 104 -17.536 5.704 -25.816 1.00 22.03 ATOM 1655 HA PHE 104 -18.268 5.003 -25.436 1.00 65.41 ATOM 1656 CB PHE 104 -18.190 7.090 -25.924 1.00 31.34 ATOM 1657 HB1 PHE 104 -18.867 7.096 -26.770 1.00 37.86 ATOM 1658 HB2 PHE 104 -17.421 7.828 -26.087 1.00 53.20 ATOM 1659 CG PHE 104 -18.970 7.504 -24.698 1.00 2.34 ATOM 1660 CD1 PHE 104 -18.319 7.843 -23.523 1.00 11.15 ATOM 1661 HD1 PHE 104 -17.240 7.803 -23.484 1.00 32.23 ATOM 1662 CD2 PHE 104 -20.358 7.560 -24.728 1.00 3.40 ATOM 1663 HD2 PHE 104 -20.879 7.300 -25.638 1.00 22.03 ATOM 1664 CE1 PHE 104 -19.031 8.230 -22.403 1.00 14.44 ATOM 1665 HE1 PHE 104 -18.509 8.492 -21.493 1.00 54.44 ATOM 1666 CE2 PHE 104 -21.074 7.946 -23.610 1.00 45.55 ATOM 1667 HE2 PHE 104 -22.153 7.986 -23.647 1.00 62.35 ATOM 1668 CZ PHE 104 -20.410 8.281 -22.446 1.00 10.00 ATOM 1669 HZ PHE 104 -20.969 8.583 -21.571 1.00 24.50 ATOM 1670 C PHE 104 -17.085 5.234 -27.209 1.00 1.14 ATOM 1671 O PHE 104 -16.076 5.703 -27.740 1.00 41.33 ATOM 1672 N SER 105 -17.843 4.309 -27.799 1.00 64.31 ATOM 1673 HN SER 105 -18.620 3.957 -27.320 1.00 37.86 ATOM 1674 CA SER 105 -17.552 3.812 -29.152 1.00 23.15 ATOM 1675 HA SER 105 -16.521 4.047 -29.379 1.00 4.40 ATOM 1676 CB SER 105 -17.744 2.291 -29.238 1.00 31.03 ATOM 1677 HB1 SER 105 -18.785 2.050 -29.068 1.00 37.86 ATOM 1678 HB2 SER 105 -17.135 1.806 -28.489 1.00 11.13 ATOM 1679 OG SER 105 -17.366 1.806 -30.520 1.00 53.45 ATOM 1680 HG SER 105 -17.798 0.960 -30.689 1.00 3.45 ATOM 1681 C SER 105 -18.449 4.492 -30.192 1.00 3.41 ATOM 1682 O SER 105 -19.520 5.009 -29.861 1.00 63.50 ATOM 1683 N GLY 106 -18.013 4.470 -31.450 1.00 3.25 ATOM 1684 HN GLY 106 -17.192 3.978 -31.656 1.00 37.86 ATOM 1685 CA GLY 106 -18.740 5.148 -32.522 1.00 35.00 ATOM 1686 HA1 GLY 106 -18.141 5.975 -32.871 1.00 37.86 ATOM 1687 HA2 GLY 106 -19.667 5.539 -32.125 1.00 71.34 ATOM 1688 C GLY 106 -19.067 4.242 -33.710 1.00 53.10 ATOM 1689 O GLY 106 -19.855 3.303 -33.591 1.00 41.43 ATOM 1690 N SER 107 -18.448 4.519 -34.861 1.00 14.00 ATOM 1691 HN SER 107 -17.773 5.234 -34.873 1.00 37.86 ATOM 1692 CA SER 107 -18.749 3.803 -36.120 1.00 63.52 ATOM 1693 HA SER 107 -19.822 3.702 -36.189 1.00 51.41 ATOM 1694 CB SER 107 -18.264 4.634 -37.316 1.00 63.42 ATOM 1695 HB1 SER 107 -18.464 4.098 -38.233 1.00 37.86 ATOM 1696 HB2 SER 107 -17.202 4.809 -37.227 1.00 45.11 ATOM 1697 OG SER 107 -18.927 5.890 -37.369 1.00 51.11 ATOM 1698 HG SER 107 -18.816 6.275 -38.249 1.00 33.22 ATOM 1699 C SER 107 -18.127 2.395 -36.187 1.00 2.52 ATOM 1700 O SER 107 -17.734 1.935 -37.262 1.00 24.20 ATOM 1701 N ASN 108 -18.072 1.700 -35.052 1.00 53.33 ATOM 1702 HN ASN 108 -18.412 2.105 -34.228 1.00 37.86 ATOM 1703 CA ASN 108 -17.534 0.336 -35.003 1.00 45.02 ATOM 1704 HA ASN 108 -17.770 -0.147 -35.944 1.00 64.51 ATOM 1705 CB ASN 108 -16.007 0.375 -34.829 1.00 1.32 ATOM 1706 HB1 ASN 108 -15.769 0.716 -33.832 1.00 37.86 ATOM 1707 HB2 ASN 108 -15.586 1.065 -35.547 1.00 23.25 ATOM 1708 CG ASN 108 -15.362 -0.984 -35.042 1.00 52.44 ATOM 1709 OD1 ASN 108 -15.172 -1.754 -34.108 1.00 63.42 ATOM 1710 ND2 ASN 108 -15.020 -1.287 -36.277 1.00 21.02 ATOM 1711 HD21 ASN 108 -15.197 -0.627 -36.980 1.00 25.01 ATOM 1712 HD22 ASN 108 -14.606 -2.159 -36.440 1.00 73.23 ATOM 1713 C ASN 108 -18.190 -0.462 -33.862 1.00 4.35 ATOM 1714 O ASN 108 -18.229 -0.008 -32.718 1.00 63.41 ATOM 1715 N LEU 109 -18.708 -1.650 -34.177 1.00 51.54 ATOM 1716 HN LEU 109 -18.590 -1.997 -35.085 1.00 37.86 ATOM 1717 CA LEU 109 -19.425 -2.461 -33.186 1.00 73.13 ATOM 1718 HA LEU 109 -19.025 -2.188 -32.216 1.00 23.04 ATOM 1719 CB LEU 109 -20.946 -2.137 -33.179 1.00 41.31 ATOM 1720 HB1 LEU 109 -21.058 -1.104 -32.877 1.00 37.86 ATOM 1721 HB2 LEU 109 -21.407 -2.751 -32.419 1.00 42.22 ATOM 1722 CG LEU 109 -21.757 -2.331 -34.492 1.00 64.31 ATOM 1723 HG LEU 109 -22.751 -1.936 -34.329 1.00 35.43 ATOM 1724 CD1 LEU 109 -21.161 -1.549 -35.662 1.00 72.13 ATOM 1725 HD11 LEU 109 -20.185 -1.942 -35.903 1.00 13.41 ATOM 1726 HD12 LEU 109 -21.070 -0.507 -35.390 1.00 25.00 ATOM 1727 HD13 LEU 109 -21.808 -1.639 -36.523 1.00 41.02 ATOM 1728 CD2 LEU 109 -21.914 -3.809 -34.850 1.00 43.40 ATOM 1729 HD21 LEU 109 -22.397 -4.328 -34.033 1.00 34.12 ATOM 1730 HD22 LEU 109 -20.942 -4.246 -35.029 1.00 41.33 ATOM 1731 HD23 LEU 109 -22.519 -3.901 -35.740 1.00 14.24 ATOM 1732 C LEU 109 -19.168 -3.968 -33.377 1.00 3.02 ATOM 1733 O LEU 109 -18.601 -4.394 -34.385 1.00 70.53 ATOM 1734 N GLU 110 -19.622 -4.761 -32.408 1.00 21.24 ATOM 1735 HN GLU 110 -20.180 -4.368 -31.707 1.00 37.86 ATOM 1736 CA GLU 110 -19.306 -6.198 -32.335 1.00 23.21 ATOM 1737 HA GLU 110 -18.232 -6.291 -32.257 1.00 2.45 ATOM 1738 CB GLU 110 -19.935 -6.815 -31.074 1.00 4.32 ATOM 1739 HB1 GLU 110 -19.758 -7.882 -31.086 1.00 37.86 ATOM 1740 HB2 GLU 110 -21.002 -6.644 -31.102 1.00 44.00 ATOM 1741 CG GLU 110 -19.403 -6.263 -29.759 1.00 2.33 ATOM 1742 HG1 GLU 110 -19.582 -5.197 -29.727 1.00 37.86 ATOM 1743 HG2 GLU 110 -18.339 -6.451 -29.704 1.00 3.12 ATOM 1744 CD GLU 110 -20.079 -6.913 -28.562 1.00 52.12 ATOM 1745 OE1 GLU 110 -21.021 -6.317 -28.007 1.00 63.23 ATOM 1746 OE2 GLU 110 -19.699 -8.047 -28.200 1.00 45.43 ATOM 1747 C GLU 110 -19.780 -7.015 -33.551 1.00 14.43 ATOM 1748 O GLU 110 -18.962 -7.582 -34.278 1.00 23.13 ATOM 1749 N HIS 111 -21.107 -7.088 -33.741 1.00 31.32 ATOM 1750 HN HIS 111 -21.678 -6.426 -33.302 1.00 37.86 ATOM 1751 CA HIS 111 -21.747 -8.118 -34.591 1.00 64.31 ATOM 1752 HA HIS 111 -22.785 -7.834 -34.700 1.00 60.41 ATOM 1753 CB HIS 111 -21.110 -8.210 -35.987 1.00 22.02 ATOM 1754 HB1 HIS 111 -21.528 -9.060 -36.510 1.00 37.86 ATOM 1755 HB2 HIS 111 -20.045 -8.352 -35.884 1.00 44.25 ATOM 1756 CG HIS 111 -21.329 -6.998 -36.838 1.00 43.11 ATOM 1757 ND1 HIS 111 -20.330 -6.097 -37.145 1.00 64.23 ATOM 1758 HD1 HIS 111 -19.398 -6.146 -36.838 1.00 2.43 ATOM 1759 CD2 HIS 111 -22.439 -6.552 -37.472 1.00 30.44 ATOM 1760 HD2 HIS 111 -23.416 -7.014 -37.457 1.00 74.11 ATOM 1761 CE1 HIS 111 -20.815 -5.154 -37.926 1.00 50.21 ATOM 1762 HE1 HIS 111 -20.261 -4.316 -38.325 1.00 44.32 ATOM 1763 NE2 HIS 111 -22.088 -5.407 -38.139 1.00 44.11 ATOM 1764 HE2 HIS 111 -22.682 -4.879 -38.718 1.00 37.86 ATOM 1765 C HIS 111 -21.702 -9.489 -33.885 1.00 70.14 ATOM 1766 O HIS 111 -22.665 -10.256 -33.929 1.00 65.30 ATOM 1767 N HIS 112 -20.559 -9.783 -33.259 1.00 45.21 ATOM 1768 HN HIS 112 -19.772 -9.240 -33.460 1.00 37.86 ATOM 1769 CA HIS 112 -20.409 -10.901 -32.313 1.00 30.25 ATOM 1770 HA HIS 112 -20.252 -11.803 -32.886 1.00 34.43 ATOM 1771 CB HIS 112 -19.161 -10.628 -31.452 1.00 24.14 ATOM 1772 HB1 HIS 112 -19.148 -9.580 -31.183 1.00 37.86 ATOM 1773 HB2 HIS 112 -18.281 -10.843 -32.039 1.00 52.01 ATOM 1774 CG HIS 112 -19.062 -11.426 -30.182 1.00 14.40 ATOM 1775 ND1 HIS 112 -19.305 -10.882 -28.937 1.00 21.34 ATOM 1776 HD1 HIS 112 -19.571 -9.952 -28.756 1.00 12.41 ATOM 1777 CD2 HIS 112 -18.711 -12.716 -29.959 1.00 62.42 ATOM 1778 HD2 HIS 112 -18.451 -13.450 -30.710 1.00 73.12 ATOM 1779 CE1 HIS 112 -19.107 -11.797 -28.011 1.00 34.13 ATOM 1780 HE1 HIS 112 -19.222 -11.653 -26.947 1.00 3.43 ATOM 1781 NE2 HIS 112 -18.746 -12.918 -28.600 1.00 24.42 ATOM 1782 HE2 HIS 112 -18.328 -13.677 -28.137 1.00 37.86 ATOM 1783 C HIS 112 -21.659 -11.075 -31.424 1.00 4.23 ATOM 1784 O HIS 112 -22.206 -10.095 -30.913 1.00 74.20 ATOM 1785 N HIS 113 -22.094 -12.324 -31.237 1.00 5.24 ATOM 1786 HN HIS 113 -21.575 -13.069 -31.609 1.00 37.86 ATOM 1787 CA HIS 113 -23.323 -12.618 -30.483 1.00 4.24 ATOM 1788 HA HIS 113 -24.139 -12.129 -30.997 1.00 43.13 ATOM 1789 CB HIS 113 -23.598 -14.129 -30.464 1.00 72.44 ATOM 1790 HB1 HIS 113 -24.379 -14.337 -29.744 1.00 37.86 ATOM 1791 HB2 HIS 113 -22.699 -14.649 -30.167 1.00 34.44 ATOM 1792 CG HIS 113 -24.036 -14.686 -31.785 1.00 71.24 ATOM 1793 ND1 HIS 113 -25.359 -14.849 -32.122 1.00 64.21 ATOM 1794 HD1 HIS 113 -26.127 -14.610 -31.558 1.00 21.11 ATOM 1795 CD2 HIS 113 -23.326 -15.135 -32.850 1.00 20.11 ATOM 1796 HD2 HIS 113 -22.249 -15.154 -32.940 1.00 53.42 ATOM 1797 CE1 HIS 113 -25.448 -15.375 -33.324 1.00 33.44 ATOM 1798 HE1 HIS 113 -26.365 -15.609 -33.842 1.00 11.25 ATOM 1799 NE2 HIS 113 -24.230 -15.561 -33.794 1.00 52.03 ATOM 1800 HE2 HIS 113 -24.015 -16.155 -34.540 1.00 37.86 ATOM 1801 C HIS 113 -23.276 -12.088 -29.040 1.00 14.20 ATOM 1802 O HIS 113 -22.244 -12.147 -28.366 1.00 35.13 ATOM 1803 N HIS 114 -24.411 -11.563 -28.583 1.00 11.51 ATOM 1804 HN HIS 114 -25.173 -11.478 -29.196 1.00 37.86 ATOM 1805 CA HIS 114 -24.573 -11.122 -27.198 1.00 71.34 ATOM 1806 HA HIS 114 -23.589 -10.976 -26.771 1.00 21.22 ATOM 1807 CB HIS 114 -25.342 -9.791 -27.154 1.00 74.34 ATOM 1808 HB1 HIS 114 -25.483 -9.497 -26.123 1.00 37.86 ATOM 1809 HB2 HIS 114 -26.308 -9.923 -27.619 1.00 13.41 ATOM 1810 CG HIS 114 -24.638 -8.668 -27.862 1.00 62.23 ATOM 1811 ND1 HIS 114 -24.948 -7.343 -27.669 1.00 15.15 ATOM 1812 HD1 HIS 114 -25.631 -6.996 -27.061 1.00 41.52 ATOM 1813 CD2 HIS 114 -23.617 -8.678 -28.753 1.00 35.33 ATOM 1814 HD2 HIS 114 -23.116 -9.554 -29.140 1.00 35.24 ATOM 1815 CE1 HIS 114 -24.155 -6.595 -28.406 1.00 1.11 ATOM 1816 HE1 HIS 114 -24.173 -5.516 -28.450 1.00 21.11 ATOM 1817 NE2 HIS 114 -23.332 -7.374 -29.073 1.00 52.42 ATOM 1818 HE2 HIS 114 -22.461 -7.074 -29.405 1.00 37.86 ATOM 1819 C HIS 114 -25.308 -12.206 -26.396 1.00 34.13 ATOM 1820 O HIS 114 -26.526 -12.344 -26.498 1.00 74.30 ATOM 1821 N HIS 115 -24.549 -12.976 -25.618 1.00 12.35 ATOM 1822 HN HIS 115 -23.610 -12.732 -25.491 1.00 37.86 ATOM 1823 CA HIS 115 -25.055 -14.188 -24.956 1.00 61.43 ATOM 1824 HA HIS 115 -25.221 -14.928 -25.728 1.00 23.23 ATOM 1825 CB HIS 115 -24.002 -14.735 -23.986 1.00 21.14 ATOM 1826 HB1 HIS 115 -23.890 -14.050 -23.158 1.00 37.86 ATOM 1827 HB2 HIS 115 -23.057 -14.825 -24.503 1.00 52.33 ATOM 1828 CG HIS 115 -24.352 -16.081 -23.429 1.00 40.53 ATOM 1829 ND1 HIS 115 -25.288 -16.269 -22.433 1.00 31.13 ATOM 1830 HD1 HIS 115 -25.800 -15.561 -21.982 1.00 14.11 ATOM 1831 CD2 HIS 115 -23.901 -17.316 -23.752 1.00 32.35 ATOM 1832 HD2 HIS 115 -23.157 -17.551 -24.500 1.00 63.34 ATOM 1833 CE1 HIS 115 -25.394 -17.556 -22.171 1.00 41.22 ATOM 1834 HE1 HIS 115 -26.055 -17.999 -21.441 1.00 1.13 ATOM 1835 NE2 HIS 115 -24.565 -18.213 -22.956 1.00 44.32 ATOM 1836 HE2 HIS 115 -24.296 -19.148 -22.823 1.00 37.86 ATOM 1837 C HIS 115 -26.376 -13.975 -24.197 1.00 75.13 ATOM 1838 O HIS 115 -26.417 -13.287 -23.177 1.00 42.44 ATOM 1839 N HIS 116 -27.444 -14.586 -24.702 1.00 64.32 ATOM 1840 HN HIS 116 -27.369 -15.012 -25.584 1.00 37.86 ATOM 1841 HA HIS 116 -28.620 -14.111 -23.055 1.00 25.42 ATOM 1842 CB HIS 116 -29.845 -13.982 -24.816 1.00 20.20 ATOM 1843 HB1 HIS 116 -30.780 -14.087 -24.285 1.00 37.86 ATOM 1844 HB2 HIS 116 -29.924 -14.486 -25.768 1.00 24.22 ATOM 1845 CG HIS 116 -29.628 -12.524 -25.085 1.00 52.13 ATOM 1846 ND1 HIS 116 -29.597 -11.569 -24.090 1.00 1.34 ATOM 1847 HD1 HIS 116 -29.697 -11.741 -23.127 1.00 73.01 ATOM 1848 CD2 HIS 116 -29.444 -11.852 -26.247 1.00 52.12 ATOM 1849 HD2 HIS 116 -29.411 -12.283 -27.238 1.00 4.42 ATOM 1850 CE1 HIS 116 -29.407 -10.382 -24.624 1.00 64.44 ATOM 1851 HE1 HIS 116 -29.341 -9.449 -24.083 1.00 41.15 ATOM 1852 NE2 HIS 116 -29.311 -10.521 -25.932 1.00 2.23 ATOM 1853 HE2 HIS 116 -29.383 -9.784 -26.577 1.00 37.86 ATOM 1854 CA HIS 116 -28.729 -14.645 -23.991 1.00 5.40 ATOM 1855 C HIS 116 -29.105 -16.109 -23.684 1.00 40.32 ATOM 1856 OT1 HIS 116 -29.707 -16.771 -24.563 1.00 37.86 ATOM 1857 OT2 HIS 116 -28.775 -16.599 -22.582 1.00 37.86 ATOM 1858 OH2 TIP3 1 -28.226 -16.395 -26.916 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -28.272 -17.227 -27.427 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -28.784 -16.566 -26.132 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -29.133 -12.990 -29.481 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -30.103 -13.046 -29.352 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -28.857 -13.918 -29.631 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -28.638 -15.665 -30.177 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -28.813 -16.041 -31.066 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -29.420 -15.934 -29.646 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -35.970 -14.670 -31.891 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -36.543 -13.987 -31.479 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -36.574 -15.378 -32.120 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -37.263 -12.685 -30.539 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -36.670 -12.608 -29.768 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -37.294 -11.788 -30.907 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -25.779 -14.330 -39.456 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -25.575 -14.146 -40.375 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -24.952 -14.122 -38.978 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -31.646 -15.716 -31.596 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -30.892 -16.080 -32.095 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -31.496 -16.018 -30.680 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -31.025 -15.951 -28.903 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -31.270 -16.286 -28.018 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -31.318 -15.016 -28.894 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -33.481 -13.737 -31.234 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -34.356 -14.095 -31.514 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -32.841 -14.439 -31.501 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -33.791 -18.997 -26.267 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -33.701 -19.061 -25.307 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -34.703 -18.722 -26.404 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -33.560 -15.257 -23.756 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -33.099 -16.110 -23.620 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -33.193 -14.670 -23.061 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -35.944 -14.323 -24.562 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -35.153 -14.821 -24.249 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -35.926 -13.499 -24.035 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -34.808 -14.274 -12.778 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -35.579 -14.821 -12.938 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -34.856 -13.582 -13.476 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -27.141 -18.785 -17.153 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -27.822 -19.489 -17.260 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -27.550 -18.155 -16.519 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -32.184 -17.630 -23.630 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -32.247 -17.814 -22.663 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -31.228 -17.477 -23.783 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -33.189 -8.993 -23.489 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -34.133 -8.783 -23.651 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -32.848 -9.235 -24.370 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -35.450 -11.918 -23.397 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -34.915 -11.572 -22.650 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -36.233 -11.332 -23.422 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -35.700 -8.819 -24.607 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -35.570 -8.838 -25.572 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -36.453 -9.431 -24.452 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -35.444 -12.511 -28.394 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -35.145 -12.109 -27.556 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -35.640 -13.442 -28.151 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -34.175 -12.038 -25.864 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -33.822 -12.938 -26.041 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -34.616 -12.121 -24.990 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -29.159 -20.598 -17.594 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -29.921 -21.128 -17.347 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -29.293 -20.416 -18.553 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -36.032 -14.917 -27.172 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -36.902 -15.319 -27.389 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -36.100 -14.710 -26.208 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -31.935 -12.900 -16.199 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -32.454 -12.081 -16.340 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -32.507 -13.609 -16.575 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -28.169 -14.931 -13.721 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -29.093 -14.706 -13.504 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -27.812 -14.105 -14.119 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -32.464 -15.191 -19.890 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -31.519 -15.014 -19.683 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -32.670 -14.561 -20.614 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -29.846 -14.571 -19.422 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -29.603 -14.337 -18.493 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -29.514 -15.489 -19.533 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -33.329 -14.407 -26.925 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -32.818 -15.158 -26.563 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -34.225 -14.781 -27.082 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -33.103 -10.623 -13.691 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -32.896 -9.704 -13.451 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -32.510 -11.151 -13.140 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -31.759 -16.649 -26.305 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -32.424 -17.138 -25.785 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -30.985 -16.579 -25.694 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -38.608 -15.830 -27.439 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -39.142 -16.416 -26.892 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -39.236 -15.444 -28.059 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -32.526 -17.732 -20.910 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -32.549 -16.825 -20.535 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -32.596 -18.306 -20.144 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -33.653 -14.528 -17.540 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -33.213 -14.867 -18.349 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -34.492 -14.182 -17.855 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -31.875 -13.341 -29.028 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -32.498 -13.490 -28.285 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -32.448 -13.351 -29.828 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -31.347 -19.074 -27.674 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -31.422 -18.193 -27.271 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -32.190 -19.504 -27.450 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -32.325 -14.223 -11.694 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -33.250 -14.328 -12.021 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -31.784 -14.169 -12.516 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -28.091 -19.253 -22.580 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -28.229 -19.507 -23.522 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -28.352 -18.301 -22.552 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -26.507 -20.320 -20.534 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -26.910 -19.990 -21.363 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -27.266 -20.594 -20.000 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -29.058 -17.121 -20.001 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -28.105 -17.173 -19.786 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -29.074 -16.903 -20.971 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -30.769 -13.742 -13.855 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -31.224 -13.489 -14.687 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -30.099 -13.027 -13.720 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -28.610 -19.225 -25.241 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -28.575 -19.212 -26.216 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -29.081 -18.397 -25.006 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -29.433 -19.857 -20.177 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -29.560 -18.900 -20.009 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -29.168 -19.897 -21.115 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -34.968 -12.366 -14.718 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -34.814 -12.171 -15.657 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -34.399 -11.720 -14.248 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -32.616 -13.397 -21.927 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -31.672 -13.153 -21.807 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -33.098 -12.545 -21.815 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -30.069 -12.640 -21.357 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -29.950 -11.794 -20.895 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -29.851 -13.321 -20.676 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -33.859 -9.567 -19.191 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -34.613 -9.036 -19.497 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -33.196 -8.885 -18.913 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -37.343 -9.909 -28.283 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -37.875 -10.609 -27.889 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -37.985 -9.170 -28.432 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -29.128 -13.651 -9.269 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -28.513 -13.100 -9.793 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -29.945 -13.118 -9.230 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -33.427 -11.902 -8.100 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -32.756 -11.946 -8.816 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -33.410 -12.804 -7.705 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -31.329 -15.383 -9.381 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -31.693 -15.142 -10.259 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -30.429 -15.007 -9.385 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -30.709 -10.410 -11.869 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -30.132 -10.877 -12.522 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -30.976 -9.587 -12.331 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -31.481 -12.276 -10.000 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -31.841 -13.003 -10.558 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -31.181 -11.607 -10.647 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -32.976 -14.506 -7.403 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -32.371 -14.790 -8.128 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -33.129 -15.307 -6.899 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -33.559 -7.133 -37.511 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -32.701 -6.743 -37.237 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -33.476 -7.219 -38.484 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -34.546 1.553 -41.050 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -34.176 0.923 -41.675 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -34.269 2.428 -41.398 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -36.755 4.257 -38.294 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -37.319 4.199 -37.501 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -36.537 3.325 -38.503 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -37.214 0.779 -34.155 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -37.908 1.360 -34.534 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -36.530 0.726 -34.867 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -26.116 -8.148 -37.019 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -26.835 -8.092 -37.679 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -26.489 -8.704 -36.314 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -33.305 -8.832 -35.372 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -33.476 -8.327 -36.200 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -33.637 -9.718 -35.562 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -27.925 -9.034 -35.005 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -27.724 -8.169 -34.629 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -28.863 -8.954 -35.299 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -38.902 -0.740 -32.668 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -39.359 -0.063 -32.156 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -38.325 -0.233 -33.279 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -32.684 1.663 -36.614 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -32.713 2.628 -36.433 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -32.550 1.608 -37.567 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -36.093 1.604 -38.790 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -35.466 1.658 -39.551 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -36.743 0.949 -39.068 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -27.447 -5.065 -35.807 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -27.418 -5.050 -36.789 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -28.162 -4.465 -35.584 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -32.691 4.428 -36.900 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -32.441 4.470 -37.852 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -33.525 4.939 -36.853 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -39.256 2.441 -34.845 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -38.800 3.236 -35.220 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -40.110 2.428 -35.294 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -39.011 3.373 -32.215 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -39.044 2.570 -31.657 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -39.099 3.035 -33.125 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -32.186 -4.466 -34.754 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -33.094 -4.501 -35.115 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -32.249 -4.949 -33.907 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -35.730 -2.909 -34.525 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -35.548 -2.199 -35.149 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -35.442 -3.721 -34.993 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -31.547 -0.106 -34.821 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -31.892 0.465 -35.540 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -30.658 0.268 -34.626 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -36.616 -7.131 -31.526 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -36.054 -7.082 -32.328 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -36.723 -8.095 -31.372 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -31.188 -6.007 -36.862 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -30.818 -5.600 -37.673 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -31.326 -5.252 -36.251 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -35.710 5.492 -34.575 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -35.721 6.340 -34.092 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -35.349 5.725 -35.458 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -35.365 0.871 -36.153 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -34.427 1.143 -36.111 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -35.653 1.151 -37.042 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -33.423 -6.269 -29.953 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -33.158 -7.197 -29.783 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -34.287 -6.183 -29.501 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -36.651 -0.407 -30.450 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -37.434 0.142 -30.647 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -36.745 -1.182 -31.045 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -34.712 -5.230 -35.688 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -35.007 -5.852 -34.991 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -34.518 -5.805 -36.453 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -30.002 -5.502 -39.344 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -29.192 -5.110 -38.955 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -29.790 -5.570 -40.306 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -39.882 7.247 -30.922 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -39.354 6.480 -30.614 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -40.330 7.562 -30.118 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -33.867 3.470 -33.802 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -34.402 4.222 -34.112 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -34.486 2.950 -33.255 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -35.567 1.944 -32.300 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -36.231 1.502 -32.875 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -36.092 2.333 -31.588 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -37.888 -4.786 -30.777 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -37.501 -5.588 -31.185 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -37.513 -4.043 -31.303 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -39.540 -3.582 -29.040 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -38.910 -3.974 -29.696 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -40.339 -3.415 -29.555 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -36.995 -2.588 -32.130 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -36.467 -2.730 -32.952 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -37.778 -2.073 -32.434 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -34.731 -7.127 -33.665 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -34.319 -7.859 -34.169 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -33.979 -6.703 -33.207 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -35.914 -6.461 -28.827 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -36.633 -6.001 -28.344 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -36.279 -6.594 -29.726 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -36.532 -9.840 -30.895 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -36.789 -9.860 -29.950 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -35.629 -10.219 -30.906 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -28.909 3.848 -34.084 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -28.229 3.929 -34.762 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -29.686 4.333 -34.461 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -24.972 -6.204 -35.459 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -25.231 -6.954 -36.034 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -25.788 -5.665 -35.398 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -32.499 -5.960 -32.453 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -32.871 -5.958 -31.535 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -31.752 -6.571 -32.402 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -32.362 4.611 -39.590 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -32.570 4.072 -40.371 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -32.606 5.511 -39.855 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -34.281 6.721 -29.161 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -33.479 6.246 -29.477 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -34.896 6.706 -29.940 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -33.006 -8.923 -29.357 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -33.709 -8.903 -28.680 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -33.191 -9.742 -29.866 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -34.974 5.945 -37.183 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -35.576 5.369 -37.709 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -34.876 6.758 -37.734 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -33.536 3.911 -42.117 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -33.301 3.981 -43.049 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -33.717 4.841 -41.843 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -34.173 -11.204 -30.439 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -33.812 -11.944 -30.975 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -34.585 -11.652 -29.668 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -36.119 -1.783 -21.316 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -36.174 -2.112 -22.227 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -36.308 -2.562 -20.771 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -37.461 0.523 -20.619 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -36.984 -0.278 -20.940 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -36.824 0.948 -20.007 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -38.711 -3.022 -20.418 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -38.605 -2.418 -19.655 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -38.154 -3.797 -20.185 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -33.665 -10.887 -21.580 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -33.346 -10.147 -22.143 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -33.709 -10.497 -20.677 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -32.109 5.175 -13.577 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -32.492 5.114 -14.475 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -32.408 4.353 -13.133 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -39.734 -1.702 -22.613 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -40.645 -1.983 -22.490 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -39.253 -2.120 -21.860 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -39.324 1.720 -22.346 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -38.718 1.293 -21.698 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -39.496 1.024 -23.002 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -33.111 5.004 -16.210 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -32.570 5.819 -16.288 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -33.984 5.259 -16.584 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -35.586 8.588 -25.044 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.016 7.757 -25.317 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -36.263 9.035 -24.484 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -33.762 -10.928 -16.828 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -33.649 -10.194 -16.211 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -33.844 -10.494 -17.708 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -38.848 -7.739 -28.822 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -38.658 -6.962 -28.255 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -39.098 -7.355 -29.672 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -39.359 -0.216 -24.857 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -39.443 -0.771 -24.047 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -39.232 -0.864 -25.577 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -37.865 -2.428 -12.606 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -38.026 -3.368 -12.386 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -37.800 -2.417 -13.589 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -38.107 -5.397 -27.514 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -37.968 -4.997 -26.631 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -38.662 -4.743 -27.988 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -36.003 1.353 -18.400 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -36.250 0.553 -17.918 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -35.266 1.734 -17.869 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -36.836 -4.909 -19.818 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -36.024 -5.149 -19.350 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -37.128 -5.747 -20.228 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -38.979 -2.029 -26.921 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -38.698 -2.706 -26.261 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -39.257 -2.561 -27.704 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -37.286 -2.337 -15.358 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -36.324 -2.400 -15.497 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -37.653 -2.321 -16.253 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -38.252 -1.121 -18.465 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -38.987 -0.734 -17.938 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -38.112 -0.479 -19.185 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -39.359 2.140 -26.260 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -39.321 1.304 -25.741 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -39.189 2.845 -25.585 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -32.827 -9.732 -26.146 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -33.202 -10.640 -26.055 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -33.556 -9.216 -26.550 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -33.550 -1.058 -13.392 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -34.167 -1.563 -12.816 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -33.084 -0.458 -12.765 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -32.494 0.613 -11.509 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -32.701 1.552 -11.717 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -31.842 0.668 -10.787 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -39.055 3.804 -24.193 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -39.338 4.673 -23.854 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -39.076 3.220 -23.411 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -40.529 4.045 -21.393 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -40.138 3.187 -21.653 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -41.460 3.964 -21.629 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -38.139 8.730 -21.244 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -38.652 7.909 -21.094 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -38.514 9.366 -20.603 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -40.022 6.441 -23.757 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -41.003 6.328 -23.683 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -39.728 6.565 -22.828 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -34.071 2.343 -16.578 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -33.441 1.694 -16.204 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -33.599 3.200 -16.516 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -38.782 1.352 -30.391 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -39.396 0.865 -29.793 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -38.308 1.969 -29.786 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -41.208 4.080 -26.963 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -40.627 3.306 -26.817 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -42.097 3.714 -26.948 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -36.499 -6.463 -23.501 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -36.261 -7.342 -23.861 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -36.165 -5.838 -24.173 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -36.738 6.771 -26.775 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -37.700 6.575 -26.723 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -36.336 5.915 -27.013 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -38.088 -3.848 -25.126 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -38.429 -4.390 -24.400 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -37.378 -3.316 -24.713 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -34.349 -2.650 -15.509 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -34.046 -2.017 -14.825 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -34.462 -3.493 -15.017 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -37.757 -10.432 -23.791 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -38.520 -10.943 -24.080 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -38.016 -10.099 -22.895 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -39.351 6.039 -26.404 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -39.940 5.275 -26.596 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -39.464 6.189 -25.442 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -35.402 4.528 -27.835 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -35.046 5.310 -28.307 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -34.642 3.938 -27.753 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -35.793 3.891 -14.837 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -35.333 3.142 -15.250 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -35.856 4.552 -15.553 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -37.758 3.087 -28.480 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -38.185 2.753 -27.668 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -36.917 3.480 -28.164 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -32.410 0.384 -15.407 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -31.656 0.724 -14.907 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -32.941 -0.103 -14.736 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -39.964 0.207 -28.241 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -39.757 -0.609 -27.751 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -39.859 0.916 -27.580 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -36.879 -0.298 -27.711 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -37.604 -0.919 -27.538 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -36.787 -0.299 -28.685 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -35.221 -2.397 -11.721 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -35.282 -2.433 -10.742 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -36.151 -2.298 -12.014 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -40.277 0.062 -17.095 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -41.079 0.503 -17.391 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -40.336 0.077 -16.134 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -38.168 -4.797 -11.041 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -37.742 -4.535 -10.197 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -38.994 -5.214 -10.767 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -32.195 -1.849 -17.134 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -32.200 -0.964 -16.722 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -32.985 -2.287 -16.761 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -34.548 -4.422 -13.442 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -34.893 -5.229 -12.998 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -34.695 -3.712 -12.784 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -35.781 -6.150 -11.682 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -35.570 -6.461 -10.779 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -36.664 -5.749 -11.593 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -38.267 5.127 -30.271 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -38.136 4.472 -29.553 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -38.568 4.582 -31.036 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -28.596 1.521 -8.399 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -29.416 1.058 -8.676 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -28.796 1.842 -7.502 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -30.744 -8.690 -27.583 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -31.152 -8.631 -28.466 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -31.477 -8.992 -27.006 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -35.676 5.430 -17.145 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -36.151 4.850 -17.786 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -36.249 6.224 -17.073 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -37.394 7.551 -17.057 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -37.422 8.526 -17.169 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -38.159 7.356 -16.505 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -42.983 6.896 -20.626 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -42.552 7.769 -20.461 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -43.680 6.848 -19.964 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -37.714 9.646 -23.751 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -37.795 9.357 -22.812 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -38.626 9.605 -24.091 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -36.871 -7.406 -20.970 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -35.990 -7.319 -20.522 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -36.717 -7.047 -21.873 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -38.427 -9.593 -21.309 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -38.791 -9.783 -20.441 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -37.906 -8.765 -21.176 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -35.061 -8.684 -27.445 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -35.824 -9.233 -27.742 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -35.289 -7.776 -27.755 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -31.652 -7.044 -10.120 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -31.865 -7.989 -10.121 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -31.680 -6.795 -9.174 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -35.541 -6.861 -8.977 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -34.757 -6.841 -8.375 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -36.011 -7.672 -8.724 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -31.816 2.936 -7.246 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -30.956 2.914 -6.765 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -32.471 3.065 -6.552 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -38.120 -1.302 -10.107 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -38.083 -1.610 -11.039 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -39.034 -1.040 -9.981 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -33.533 -0.668 -9.062 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -33.621 -0.444 -10.001 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -34.305 -1.246 -8.879 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -35.812 -2.268 -9.016 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -36.150 -3.104 -8.635 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -36.627 -1.772 -9.259 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -30.001 -10.273 -6.848 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -29.843 -10.184 -7.811 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -29.671 -11.172 -6.629 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -31.334 6.351 -11.246 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -31.584 5.920 -12.094 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -31.539 5.674 -10.568 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -37.754 -8.822 -8.452 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -36.984 -9.324 -8.097 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -37.902 -9.202 -9.321 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -37.118 -4.705 -8.495 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -36.398 -5.361 -8.625 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -37.887 -5.248 -8.223 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -39.117 -6.634 -8.217 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -39.699 -6.984 -7.536 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -38.496 -7.381 -8.402 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -31.680 4.160 -9.675 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -30.770 3.860 -9.903 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -31.825 3.813 -8.768 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -31.255 0.812 -8.906 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -31.532 1.565 -8.347 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -31.998 0.168 -8.826 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -29.413 2.860 -5.956 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -28.984 2.514 -5.163 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -29.121 3.794 -5.999 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -35.383 -9.899 -7.953 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -34.956 -10.749 -8.183 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -34.707 -9.427 -7.446 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -32.998 3.255 -11.873 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -33.914 3.624 -11.904 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -32.620 3.618 -11.043 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -31.933 -5.135 -5.658 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -32.490 -4.388 -5.410 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -31.197 -5.118 -4.998 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -30.504 -6.395 -7.624 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -31.028 -5.811 -7.034 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -30.099 -7.045 -7.013 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -33.521 -6.992 -7.193 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -33.114 -7.879 -7.066 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -33.042 -6.417 -6.569 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -29.822 -7.898 -3.157 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -30.419 -8.591 -2.848 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -28.942 -8.165 -2.803 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -28.817 -11.166 -3.434 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -28.804 -11.406 -4.386 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -29.162 -11.951 -3.003 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -32.618 -9.545 -6.983 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -32.949 -10.411 -7.305 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -31.660 -9.698 -6.844 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -29.077 3.515 -10.232 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -28.739 2.815 -9.634 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -28.608 3.353 -11.072 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -35.603 18.305 -34.064 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -35.352 18.055 -33.146 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -35.437 17.489 -34.590 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -40.956 16.195 -38.855 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -40.261 16.641 -38.331 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -41.719 16.765 -38.768 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -35.110 16.007 -35.375 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -34.474 16.078 -36.122 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -34.723 15.314 -34.804 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -35.658 10.844 -38.070 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -36.414 11.408 -38.318 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -35.676 10.841 -37.090 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -34.940 20.577 -35.426 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -35.769 20.934 -35.800 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -35.208 19.729 -35.013 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -37.993 4.594 -35.795 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -38.253 5.471 -36.170 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -37.201 4.796 -35.247 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -37.410 21.734 -36.083 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -38.091 22.020 -36.700 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -37.917 21.330 -35.336 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -38.807 20.616 -34.063 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -38.766 19.685 -33.770 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -39.017 21.115 -33.248 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -40.648 25.011 -31.874 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -41.517 24.692 -31.619 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -40.089 24.838 -31.093 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -35.931 13.191 -34.091 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -36.213 13.115 -33.146 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -35.002 13.493 -34.038 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -37.889 16.108 -35.343 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -36.914 16.060 -35.429 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -38.183 15.175 -35.451 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -38.334 9.777 -36.868 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -37.538 10.034 -36.356 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -38.443 10.502 -37.515 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -31.829 24.402 -28.642 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -32.764 24.658 -28.746 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -31.754 23.564 -29.142 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -38.137 12.268 -38.120 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -38.610 12.841 -38.735 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -38.153 12.764 -37.271 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -36.012 20.392 -30.959 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -35.952 20.854 -31.807 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -35.463 20.948 -30.345 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -38.942 17.610 -30.584 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -38.818 17.631 -31.555 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -38.845 18.549 -30.313 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -38.663 24.056 -33.514 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -39.383 24.630 -33.185 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -38.787 23.221 -33.026 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -39.252 17.582 -37.199 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -38.827 16.965 -36.565 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -38.900 18.443 -36.960 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -35.194 17.791 -31.471 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -35.457 18.707 -31.231 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -35.524 17.248 -30.729 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -36.228 23.801 -34.665 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -37.104 24.037 -34.274 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -36.447 23.120 -35.331 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -36.198 10.780 -35.398 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -36.039 11.675 -35.026 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -36.442 10.240 -34.614 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -38.233 13.439 -35.615 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -38.851 12.752 -35.270 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -37.428 13.336 -35.062 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -32.839 15.973 -36.908 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -32.353 16.424 -37.605 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -32.163 15.419 -36.463 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -27.618 24.661 -34.465 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -27.074 24.808 -33.687 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -26.997 24.276 -35.124 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -38.461 20.173 -29.736 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -38.512 20.835 -29.012 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -37.520 20.200 -30.020 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -39.125 22.005 -31.687 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -39.161 22.794 -31.110 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -39.016 21.259 -31.062 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -41.972 11.897 -31.699 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -41.557 11.747 -30.826 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -41.727 11.122 -32.215 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -41.518 14.555 -31.294 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -41.211 14.908 -32.134 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -41.792 13.633 -31.507 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -37.633 10.022 -33.179 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -37.639 9.040 -33.128 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -37.910 10.310 -32.283 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -38.260 17.978 -33.315 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -37.327 18.221 -33.481 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -38.429 17.250 -33.949 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -41.356 14.664 -28.564 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -41.326 14.660 -29.551 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -42.031 15.317 -28.354 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -38.098 7.334 -32.968 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -38.429 6.711 -33.625 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -38.834 7.411 -32.316 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -39.518 11.194 -34.820 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -38.932 10.822 -34.131 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -39.441 10.566 -35.560 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -36.718 12.962 -31.505 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -37.322 12.222 -31.295 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -37.077 13.715 -30.994 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -36.178 6.848 -31.006 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -36.483 7.251 -31.842 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -36.910 6.246 -30.753 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -37.696 10.363 -28.175 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -37.630 11.342 -28.061 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -38.573 10.138 -27.789 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -30.046 23.500 -34.798 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -30.024 23.404 -35.753 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -29.209 23.977 -34.586 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -31.353 22.203 -32.763 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -30.874 22.740 -33.437 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -32.297 22.281 -33.028 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -27.693 18.240 -35.290 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -27.755 17.369 -35.738 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -28.622 18.551 -35.242 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -33.933 22.478 -33.759 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -34.682 23.061 -33.986 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -34.057 21.700 -34.343 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -31.451 10.867 -39.014 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -31.826 10.605 -38.139 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -31.700 11.793 -39.109 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -33.375 14.329 -33.965 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -32.928 14.392 -33.114 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -32.643 14.302 -34.617 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -38.282 7.033 -36.915 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -37.704 7.008 -37.684 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -38.483 7.988 -36.798 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -32.393 9.966 -36.616 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -33.245 9.539 -36.438 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -31.722 9.306 -36.308 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -34.601 8.353 -38.316 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -33.852 8.472 -38.938 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -35.038 9.236 -38.296 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -33.884 6.493 -41.231 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -33.379 7.301 -40.983 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -34.805 6.742 -41.099 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -31.817 21.928 -30.033 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -31.449 21.069 -29.769 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -31.554 22.024 -30.976 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -40.967 21.825 -16.641 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -40.994 22.697 -16.235 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -41.889 21.559 -16.698 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -39.446 14.658 -18.527 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -39.127 13.950 -17.935 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -38.745 15.332 -18.486 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -39.609 13.796 -24.009 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -39.701 14.345 -24.816 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -39.140 13.012 -24.309 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -39.175 17.395 -24.232 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -38.232 17.601 -24.404 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -39.331 16.567 -24.722 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -43.922 15.852 -20.194 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -44.019 16.653 -19.678 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -42.952 15.719 -20.251 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -41.602 13.437 -22.153 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -41.471 14.157 -21.498 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -40.888 13.584 -22.814 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -42.670 6.516 -23.310 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -42.874 6.511 -22.350 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -42.897 7.425 -23.595 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -37.000 23.402 -20.898 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -36.532 24.248 -21.027 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -36.656 22.833 -21.617 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -29.271 19.774 -18.197 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -28.555 19.172 -18.513 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -29.070 19.911 -17.245 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -39.588 17.458 -21.467 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -39.351 18.360 -21.170 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -39.446 17.480 -22.433 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -41.193 15.537 -20.417 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -40.635 16.251 -20.806 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -40.644 15.181 -19.680 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -44.293 13.318 -21.269 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -44.485 14.171 -20.831 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -43.449 13.474 -21.725 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -36.577 18.354 -19.889 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -36.923 17.528 -19.505 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -35.690 18.449 -19.483 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -39.216 22.218 -22.174 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -39.138 21.322 -21.782 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -38.581 22.753 -21.663 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -41.326 19.054 -24.488 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -40.529 18.484 -24.446 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -41.846 18.787 -23.723 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -26.919 21.157 -14.664 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -27.787 20.728 -14.780 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -26.442 20.574 -14.034 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -35.061 25.290 -32.693 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -34.191 24.875 -32.680 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -35.483 24.934 -33.503 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -36.747 24.787 -26.899 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -37.634 25.192 -26.962 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -36.869 24.052 -26.267 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -33.843 11.822 -13.738 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -34.163 11.412 -14.555 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -32.885 11.594 -13.718 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -42.953 9.210 -23.844 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -43.658 9.600 -24.372 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -42.890 9.800 -23.055 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -33.571 10.180 -16.148 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -33.286 9.292 -15.888 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -34.162 10.026 -16.917 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -42.863 11.038 -21.828 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -42.234 11.773 -22.012 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -43.658 11.495 -21.481 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -39.810 15.382 -26.274 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -39.568 16.216 -26.735 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -40.343 14.896 -26.936 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -33.622 13.620 -11.702 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -33.767 13.053 -12.498 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -34.346 13.386 -11.111 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -38.437 10.943 -30.721 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -38.112 10.508 -29.906 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -39.270 11.373 -30.441 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -37.643 15.092 -15.372 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -36.728 15.438 -15.463 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -38.189 15.882 -15.318 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -37.721 15.033 -29.970 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -38.448 15.613 -30.261 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -37.045 15.657 -29.629 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -37.639 13.137 -27.968 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -37.263 13.756 -27.330 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -37.792 13.682 -28.769 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -40.231 9.925 -27.323 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -40.280 9.736 -26.359 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -40.502 9.080 -27.746 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -39.341 10.478 -19.415 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -38.769 10.336 -18.628 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -39.433 11.438 -19.470 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -35.053 19.233 -16.436 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -34.642 18.914 -15.606 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -34.869 20.195 -16.442 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -34.586 21.940 -16.769 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -35.192 21.969 -17.534 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -34.903 22.664 -16.191 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -31.454 18.348 -17.243 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -30.742 18.851 -17.682 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -31.489 17.495 -17.744 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -33.410 21.986 -24.211 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -33.368 21.436 -25.017 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -32.477 22.215 -24.028 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -40.587 23.045 -24.352 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -41.261 23.631 -23.995 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -40.133 22.685 -23.549 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -38.640 19.956 -20.644 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -37.798 19.457 -20.525 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -38.871 20.247 -19.732 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -36.946 16.028 -18.270 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -36.309 16.257 -17.557 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -36.644 15.150 -18.578 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -36.947 22.506 -18.274 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -37.648 21.818 -18.229 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -36.977 22.816 -19.206 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -30.755 22.524 -23.821 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -30.631 23.195 -23.114 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -30.852 23.063 -24.647 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -38.748 22.147 -27.822 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -38.142 22.394 -27.092 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -39.516 21.733 -27.361 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -39.499 25.119 -27.142 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -39.726 24.888 -28.053 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -39.980 24.479 -26.605 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -35.719 13.535 -18.580 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -34.930 13.823 -18.065 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -35.398 13.501 -19.507 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -37.656 22.744 -25.301 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -38.509 22.722 -24.837 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -36.989 22.683 -24.578 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -37.877 12.937 -17.004 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -37.839 13.598 -16.272 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -37.067 13.118 -17.532 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -40.619 11.915 -29.284 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -40.734 12.809 -28.906 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -40.572 11.327 -28.501 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -32.042 12.306 -16.844 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -32.581 11.567 -16.481 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -31.541 11.898 -17.579 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -31.932 21.124 -16.489 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -32.812 21.537 -16.605 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -32.036 20.235 -16.869 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -38.939 24.086 -29.843 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -38.088 24.550 -30.031 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -38.722 23.475 -29.105 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -34.530 22.036 -29.470 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -34.651 22.960 -29.169 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -33.561 21.948 -29.585 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -39.260 17.588 -27.797 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -39.167 17.393 -28.753 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -39.625 18.483 -27.774 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -34.171 17.773 -18.627 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -33.301 17.340 -18.505 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -34.326 18.244 -17.783 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -40.707 21.068 -26.244 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -41.007 20.276 -25.745 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -40.732 21.788 -25.580 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -41.600 9.168 -20.285 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -40.804 9.619 -19.928 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -42.075 9.875 -20.773 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -37.699 18.395 -16.915 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -36.780 18.681 -16.726 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -37.594 17.606 -17.470 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -35.235 16.170 -16.039 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -34.539 15.588 -16.423 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -34.739 16.778 -15.451 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -33.682 17.829 -14.389 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -32.752 18.109 -14.510 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -33.660 17.300 -13.560 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -39.813 6.555 -21.003 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -40.647 6.911 -20.659 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -39.963 5.578 -21.028 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -37.522 10.270 -17.374 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -37.651 11.198 -17.070 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -36.595 10.248 -17.690 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -31.666 9.014 -11.584 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -32.625 9.081 -11.508 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -31.484 8.049 -11.484 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -37.191 3.830 -18.785 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -36.830 2.930 -18.648 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -37.824 3.725 -19.501 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -32.751 25.020 -20.815 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -32.694 24.881 -19.865 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -31.922 24.631 -21.165 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -26.799 23.221 -16.427 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -26.045 23.781 -16.140 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -26.785 22.459 -15.795 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -36.308 23.991 -16.067 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -36.593 23.508 -16.874 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -37.010 24.625 -15.912 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -30.864 18.032 -14.619 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -30.344 17.214 -14.460 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -31.068 18.005 -15.579 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -33.526 14.533 -17.322 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -32.954 13.779 -17.056 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -32.921 15.125 -17.834 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -35.773 22.838 -23.294 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -34.933 22.455 -23.648 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -35.512 23.726 -22.975 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -38.927 20.613 -18.034 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -39.660 20.965 -17.483 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -38.609 19.824 -17.538 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -40.325 9.090 -24.692 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -41.251 9.195 -24.385 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -40.094 8.176 -24.437 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -40.801 7.392 -28.261 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -40.153 6.970 -27.654 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -41.524 6.755 -28.310 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -36.752 25.576 -30.627 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -37.114 26.453 -30.794 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -36.152 25.414 -31.398 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -31.743 23.951 -25.868 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -32.694 24.094 -25.885 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -31.444 24.228 -26.756 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -35.456 4.320 -12.146 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -36.347 4.276 -11.793 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -35.579 4.248 -13.121 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -29.213 6.054 -9.121 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -28.998 5.178 -9.502 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -29.774 6.472 -9.792 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -32.283 13.656 -8.538 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -32.094 14.597 -8.578 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -31.791 13.282 -9.296 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -32.895 16.270 -12.228 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -31.950 16.227 -11.995 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -33.227 15.371 -12.044 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -31.017 13.162 -10.945 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -30.565 14.005 -11.177 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -31.922 13.272 -11.308 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -31.267 11.014 -13.619 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -30.374 11.400 -13.640 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -31.202 10.290 -12.970 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -28.502 11.643 -14.195 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -27.635 12.008 -13.954 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -28.445 10.701 -13.931 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -32.922 11.927 -6.514 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -32.635 12.499 -7.255 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -33.671 12.386 -6.138 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -34.781 24.701 -28.782 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -35.316 25.116 -29.486 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -35.361 24.747 -27.986 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -35.164 25.224 -22.010 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -35.127 26.135 -22.318 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -34.279 25.075 -21.594 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -30.325 23.885 -21.470 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -29.645 24.600 -21.523 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -30.043 23.346 -20.704 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -18.717 -17.338 -35.521 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -17.935 -17.824 -35.230 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -18.401 -16.408 -35.622 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -22.615 -18.120 -33.097 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -21.711 -17.874 -33.376 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -22.715 -19.048 -33.393 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -20.266 -20.212 -34.264 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -21.107 -20.583 -33.931 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -20.500 -19.841 -35.142 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -18.879 -11.191 -35.341 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -18.631 -10.599 -36.081 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -19.528 -11.805 -35.732 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -16.020 -14.262 -37.596 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -15.402 -14.934 -37.940 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -15.450 -13.668 -37.061 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -13.867 -15.973 -35.690 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -13.902 -16.208 -36.636 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -14.203 -16.751 -35.239 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -15.376 -22.531 -33.935 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -14.648 -22.663 -34.552 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -15.727 -23.416 -33.787 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -20.779 -18.789 -36.574 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -20.935 -18.431 -37.464 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -20.074 -18.213 -36.206 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -24.689 -21.160 -31.535 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -25.514 -20.661 -31.657 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -24.690 -21.386 -30.593 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -17.893 -14.753 -35.612 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -17.676 -14.186 -34.836 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -17.207 -14.526 -36.275 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -27.090 -19.726 -31.059 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -26.525 -18.914 -31.081 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -26.822 -20.177 -30.227 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -29.245 -16.762 -32.638 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -29.225 -17.736 -32.693 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -28.754 -16.474 -33.428 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -27.561 -17.337 -34.826 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -27.739 -17.504 -35.757 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -27.844 -18.159 -34.374 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -11.458 -13.287 -30.357 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -11.643 -12.510 -30.923 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -10.614 -13.618 -30.682 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -16.525 -16.692 -30.467 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -15.899 -17.098 -29.835 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -16.142 -15.821 -30.652 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -17.618 -19.851 -33.641 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -18.590 -19.943 -33.804 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -17.233 -20.618 -34.088 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -14.372 -10.337 -31.616 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -14.782 -10.769 -32.397 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -15.056 -10.422 -30.909 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -25.308 -17.733 -30.932 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -25.582 -17.007 -30.324 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -24.346 -17.815 -30.785 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -20.536 -14.885 -31.342 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -20.492 -15.415 -30.516 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -20.330 -15.530 -32.053 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -22.912 -20.830 -33.563 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -23.252 -21.466 -34.203 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -23.481 -20.965 -32.766 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -28.563 -19.449 -33.342 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -28.072 -19.582 -32.496 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -28.878 -20.331 -33.571 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -18.488 -18.253 -31.535 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -18.015 -18.787 -32.208 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -17.778 -17.701 -31.122 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -20.717 -17.750 -39.197 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -19.869 -18.125 -39.467 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -21.358 -18.158 -39.792 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -20.257 -13.428 -36.325 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -20.667 -14.113 -36.889 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -19.478 -13.878 -35.936 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -27.441 -13.048 -31.952 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -27.486 -12.546 -32.796 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -28.350 -13.034 -31.616 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -14.096 -13.278 -35.775 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -13.945 -14.231 -35.583 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -13.247 -12.846 -35.527 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -27.081 -11.137 -29.817 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -27.759 -11.752 -29.463 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -27.126 -11.266 -30.772 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -26.095 -15.821 -29.209 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -25.898 -16.046 -28.280 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -27.073 -15.756 -29.241 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -15.403 -20.590 -31.970 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -15.229 -21.319 -32.598 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -16.144 -20.107 -32.371 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -25.811 -20.665 -28.828 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -26.253 -20.877 -27.996 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -25.007 -20.172 -28.555 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -22.612 -17.823 -30.373 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -21.767 -17.424 -30.090 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -22.501 -17.967 -31.341 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -13.887 -22.372 -28.122 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -13.023 -22.756 -28.301 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -14.210 -22.860 -27.357 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -20.154 -16.903 -33.195 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -19.577 -17.410 -32.579 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -19.704 -16.984 -34.060 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -15.328 -20.316 -29.219 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -15.294 -20.495 -30.187 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -14.820 -21.059 -28.820 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -12.099 -11.782 -34.646 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -11.772 -11.756 -33.732 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -12.492 -10.903 -34.783 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -16.011 -16.102 -24.868 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -15.325 -16.068 -25.571 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -15.678 -16.752 -24.243 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -13.971 -16.068 -38.460 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -13.999 -16.666 -39.218 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -13.162 -15.552 -38.593 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -24.442 -12.224 -33.805 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -23.851 -11.443 -33.817 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -25.340 -11.846 -33.726 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -17.534 -12.826 -33.660 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -18.056 -12.185 -34.192 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -16.664 -12.393 -33.559 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -15.147 -11.460 -33.986 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -14.638 -10.683 -34.296 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -14.891 -12.175 -34.608 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -27.648 -12.927 -37.936 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -27.228 -13.507 -38.601 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -26.992 -12.885 -37.214 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -23.398 -13.563 -38.241 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -22.728 -14.271 -38.290 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -22.891 -12.748 -38.415 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -20.929 -15.063 -38.485 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -20.029 -14.759 -38.742 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -20.924 -16.021 -38.691 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -11.735 -10.980 -31.937 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -12.698 -10.800 -31.826 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -11.368 -10.128 -32.230 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -20.489 -17.008 -24.010 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -19.868 -17.494 -24.602 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -20.375 -17.444 -23.136 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -18.965 -18.437 -17.523 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -19.389 -18.973 -16.840 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -19.200 -18.888 -18.361 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -23.900 -20.241 -13.011 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -23.849 -19.312 -13.335 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -24.789 -20.318 -12.653 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -28.689 -18.899 -28.048 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -28.445 -19.101 -28.960 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -29.659 -19.090 -28.010 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -23.764 -17.781 -19.430 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -24.618 -17.306 -19.474 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -23.942 -18.525 -18.817 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -20.245 -18.250 -21.525 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -19.736 -18.917 -21.025 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -20.479 -17.573 -20.845 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -24.917 -19.947 -18.260 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -25.654 -19.589 -17.716 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -25.342 -20.178 -19.115 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -19.537 -20.203 -19.638 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -20.393 -20.686 -19.612 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -18.880 -20.895 -19.766 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -21.970 -16.350 -26.462 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -21.909 -15.372 -26.359 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -21.404 -16.700 -25.748 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -23.128 -15.463 -16.668 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -23.978 -15.775 -16.296 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -23.366 -14.629 -17.146 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -25.564 -14.467 -19.293 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -24.713 -14.002 -19.159 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -26.106 -14.176 -18.534 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -13.278 -15.492 -21.210 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -13.358 -14.530 -21.246 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -13.778 -15.746 -20.400 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -16.645 -12.331 -22.977 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -16.716 -12.494 -22.029 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -15.983 -11.632 -23.047 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -16.671 -5.371 -25.337 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -16.309 -5.798 -26.144 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -17.250 -6.045 -24.951 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -16.643 -14.544 -16.469 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -16.535 -15.403 -16.927 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -16.673 -14.786 -15.518 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -18.704 -15.564 -27.025 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -18.611 -15.130 -26.151 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -17.805 -15.499 -27.418 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -21.252 -16.652 -19.606 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -22.159 -16.930 -19.361 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -21.358 -15.722 -19.902 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -12.602 -11.489 -22.044 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -13.269 -10.776 -21.977 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -12.194 -11.355 -22.918 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -23.443 -17.748 -14.065 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -24.173 -17.195 -14.415 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -22.726 -17.633 -14.714 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -20.394 -14.202 -23.773 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -20.535 -15.170 -23.745 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -19.436 -14.107 -23.950 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -14.288 -15.922 -26.981 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -13.515 -15.370 -27.236 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -14.304 -16.638 -27.655 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -29.432 -13.824 -16.859 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -30.288 -13.410 -16.625 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -28.780 -13.372 -16.273 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -10.979 -13.164 -16.957 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -11.569 -12.430 -17.226 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -11.107 -13.841 -17.653 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -20.794 -13.960 -16.770 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -21.519 -14.543 -16.483 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -21.191 -13.435 -17.508 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -14.913 -14.176 -30.251 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -14.073 -14.410 -30.665 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -14.733 -13.311 -29.822 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -25.997 -13.859 -16.649 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -25.226 -13.305 -16.913 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -26.568 -13.249 -16.122 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -14.415 -17.770 -28.986 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -13.609 -17.914 -29.492 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -14.816 -18.670 -28.914 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -21.939 -21.566 -19.759 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -22.409 -22.399 -19.895 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -22.324 -20.959 -20.432 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -22.706 -19.482 -21.337 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -23.036 -18.879 -20.636 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -21.832 -19.110 -21.581 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -15.422 -17.688 -14.712 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -15.616 -18.235 -13.910 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -14.459 -17.706 -14.781 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -23.266 -19.978 -25.311 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -23.802 -19.813 -26.093 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -22.361 -20.051 -25.656 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -21.037 -19.691 -27.170 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -20.389 -19.199 -26.625 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -20.557 -19.866 -28.007 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -20.624 -16.284 -28.913 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -21.297 -16.439 -28.220 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -19.803 -16.117 -28.406 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -25.505 -16.287 -15.556 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -25.719 -15.368 -15.847 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -26.368 -16.737 -15.556 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -22.466 -20.633 -17.143 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -22.165 -21.012 -17.988 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -23.395 -20.380 -17.317 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -19.035 -18.159 -26.017 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -18.375 -18.760 -26.436 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -18.852 -17.288 -26.420 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -18.887 -14.423 -19.374 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -19.666 -14.296 -19.952 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -18.921 -15.358 -19.136 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -21.790 -13.650 -26.213 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -21.107 -13.376 -25.575 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -21.675 -13.049 -26.975 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -21.623 -20.407 -14.486 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -22.534 -20.444 -14.135 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -21.742 -20.450 -15.459 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -21.293 -14.125 -20.677 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -21.275 -13.657 -21.523 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -21.541 -13.423 -20.012 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -13.889 -17.903 -9.371 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -13.031 -18.066 -8.932 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -13.852 -18.435 -10.172 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -10.980 -11.063 -24.264 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -10.535 -10.490 -23.598 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -10.923 -10.547 -25.105 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -23.526 -19.236 -28.190 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -23.310 -18.754 -29.020 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -22.643 -19.444 -27.802 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -16.463 -17.193 -17.215 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -16.174 -17.508 -16.330 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -17.324 -17.645 -17.362 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -16.464 -14.604 -28.066 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -15.770 -14.992 -27.492 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -16.005 -14.448 -28.917 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -14.061 -12.136 -28.578 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -13.594 -12.857 -28.107 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -13.396 -11.414 -28.628 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -17.816 -14.097 -24.770 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -17.406 -13.389 -24.221 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -17.147 -14.824 -24.756 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -24.605 -16.944 -27.038 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -23.689 -16.638 -26.888 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -24.496 -17.817 -27.452 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -28.262 -16.805 -15.672 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -29.036 -16.473 -16.148 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -28.188 -16.204 -14.893 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -21.054 -17.044 -15.930 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -21.790 -16.506 -16.302 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -20.495 -17.243 -16.701 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -16.837 -15.444 -13.936 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -17.767 -15.761 -13.863 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -16.314 -16.265 -14.038 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -17.599 -19.651 -27.769 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -16.764 -19.912 -28.206 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -18.285 -19.830 -28.440 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -19.676 -19.914 -29.638 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -19.310 -19.220 -30.232 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -20.075 -20.550 -30.240 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -18.451 -16.835 -10.128 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -17.552 -16.777 -9.726 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -18.338 -17.446 -10.883 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -18.552 -18.539 -12.285 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -19.462 -18.802 -12.042 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -18.680 -17.884 -13.003 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -15.885 -19.082 -12.469 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -16.848 -18.964 -12.314 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -15.673 -19.926 -12.023 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -10.953 -16.821 -20.910 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -11.788 -16.321 -21.085 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -11.120 -17.694 -21.282 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -14.327 -16.264 -18.774 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -13.647 -16.292 -18.094 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -15.123 -16.626 -18.333 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -26.437 -17.021 -19.247 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -26.207 -16.079 -19.070 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -26.619 -17.398 -18.361 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -10.305 -16.627 -9.682 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -10.707 -17.376 -9.192 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -10.720 -15.846 -9.297 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -19.297 -18.781 -2.866 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -19.584 -19.430 -3.547 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -18.818 -18.097 -3.381 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -18.468 -16.784 -4.503 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -19.378 -16.476 -4.691 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -18.044 -16.019 -4.055 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -19.877 -10.177 -5.874 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -19.067 -9.786 -6.276 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -19.583 -10.472 -4.995 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -26.513 -16.509 -3.476 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -26.753 -17.425 -3.748 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -25.546 -16.541 -3.357 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -21.061 -18.379 -6.413 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -20.682 -19.122 -5.902 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -21.039 -18.690 -7.338 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -27.868 -15.587 -7.753 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -28.343 -14.935 -8.319 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -28.031 -15.273 -6.841 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -15.175 -14.474 -4.606 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -15.391 -13.962 -5.401 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -16.047 -14.629 -4.180 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -19.348 -16.454 -13.845 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -19.965 -16.627 -14.594 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -19.929 -16.137 -13.124 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -16.137 -16.445 -8.817 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -16.333 -16.813 -7.924 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -15.275 -16.851 -9.056 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -25.165 -15.603 -0.377 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -26.010 -15.632 -0.846 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -25.409 -15.482 0.546 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -21.183 -16.195 -4.701 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -21.296 -16.509 -3.779 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -21.341 -16.998 -5.252 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -16.490 -14.810 -0.571 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -16.284 -14.286 0.212 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -15.622 -14.884 -1.043 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -27.403 -18.882 -4.513 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -27.378 -18.647 -5.469 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -27.575 -19.826 -4.507 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -15.296 -21.427 -11.191 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -14.713 -22.017 -11.679 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -14.858 -21.327 -10.310 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -20.999 -19.291 -9.253 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -20.823 -20.252 -9.198 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -21.141 -19.131 -10.207 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -17.881 -20.201 -7.155 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -17.537 -21.042 -6.780 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -17.910 -20.367 -8.121 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -17.183 -22.594 -6.050 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -16.307 -22.906 -6.360 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -17.117 -22.635 -5.064 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -20.276 -21.965 -9.623 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -20.718 -22.078 -10.496 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -19.389 -21.615 -9.847 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -21.521 -21.810 -12.067 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -21.238 -21.563 -12.966 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -22.461 -21.575 -12.045 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -19.635 -20.351 -5.070 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -19.563 -21.303 -4.921 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -18.991 -20.173 -5.793 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -16.170 -25.367 -8.530 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -16.368 -26.221 -8.926 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -17.033 -24.896 -8.526 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -17.616 -21.383 -9.710 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -17.540 -22.302 -9.396 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -16.910 -21.301 -10.383 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -23.765 -16.222 -2.649 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -22.883 -16.554 -2.393 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -24.190 -15.992 -1.794 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -17.539 -20.528 -1.728 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -18.186 -19.882 -2.084 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -17.316 -20.185 -0.859 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -28.393 -15.242 -5.061 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -29.066 -15.912 -4.895 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -27.631 -15.524 -4.503 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -21.082 -16.811 -2.026 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -20.520 -16.236 -1.471 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -20.568 -17.643 -2.105 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -27.324 -18.235 -7.174 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -27.634 -17.319 -7.343 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -26.746 -18.427 -7.919 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -18.338 -23.717 -8.328 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -18.190 -23.355 -7.430 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -19.206 -23.356 -8.593 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -16.893 -22.603 -3.356 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -16.798 -23.303 -2.705 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -17.076 -21.797 -2.818 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -25.432 -15.946 -9.022 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -26.268 -15.742 -8.550 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -25.701 -16.003 -9.965 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -11.476 -11.699 -1.129 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -11.694 -11.059 -1.848 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -11.620 -12.573 -1.541 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -27.995 -11.561 -10.905 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -27.707 -10.627 -10.821 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -28.390 -11.616 -11.805 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -26.347 -15.867 -11.636 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -26.977 -15.906 -12.374 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -26.144 -14.906 -11.552 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -21.311 -18.737 -12.051 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -22.006 -18.117 -12.323 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -21.298 -19.406 -12.764 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -14.357 -21.121 -8.690 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -14.691 -20.345 -8.221 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -14.476 -21.858 -8.056 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -25.999 -13.204 -11.648 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -26.705 -12.643 -11.266 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -25.643 -12.672 -12.383 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -28.939 -12.604 -5.775 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -28.117 -12.319 -6.249 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -28.774 -13.545 -5.557 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -26.782 -11.494 -6.869 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -25.838 -11.735 -6.757 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -26.758 -10.616 -7.308 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -9.011 -12.187 0.011 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -8.968 -13.140 0.229 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -9.931 -12.055 -0.309 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -12.776 -15.898 -4.445 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -13.133 -16.710 -4.064 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -13.574 -15.375 -4.682 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -16.875 -17.713 -6.539 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -17.406 -17.408 -5.777 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -17.226 -18.606 -6.735 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -11.516 -18.472 -8.060 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -11.478 -19.318 -7.601 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -11.273 -17.808 -7.364 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -14.798 -23.460 -7.177 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -14.091 -23.938 -6.729 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -15.228 -24.145 -7.746 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -24.161 -12.347 -6.423 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -23.891 -12.919 -5.677 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -23.349 -11.906 -6.687 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -19.095 -8.259 -2.854 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -18.756 -9.167 -3.011 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -18.646 -7.971 -2.027 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -14.209 -14.590 -1.977 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -14.485 -14.446 -2.903 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -13.256 -14.379 -1.978 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -23.073 -14.160 -4.495 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -23.676 -14.613 -3.879 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -22.346 -14.798 -4.624 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -17.491 -14.637 -3.159 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -17.136 -14.723 -2.251 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -18.233 -14.003 -3.066 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -19.684 -13.164 -2.445 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -19.684 -13.818 -1.714 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -20.623 -13.021 -2.634 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -29.825 -9.322 -9.476 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -30.081 -9.851 -10.258 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -28.842 -9.364 -9.470 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -15.827 0.479 -40.409 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -15.350 0.666 -39.575 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -16.593 1.083 -40.386 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -14.518 1.107 -38.048 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -13.630 0.738 -37.981 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -14.411 2.038 -37.761 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -25.459 -3.155 -39.593 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -25.447 -2.551 -40.359 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -24.628 -2.947 -39.116 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -32.287 -7.006 -39.984 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -32.119 -7.185 -40.914 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -31.521 -6.467 -39.702 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -21.440 -0.748 -43.332 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -21.715 -0.585 -44.241 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -22.006 -0.143 -42.796 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -10.954 -8.352 -33.700 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -10.134 -8.582 -34.151 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -10.735 -7.534 -33.213 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -17.063 -8.149 -39.487 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -16.207 -8.074 -39.975 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -17.738 -8.100 -40.191 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -24.268 -5.576 -40.035 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -23.939 -5.669 -40.949 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -24.752 -4.723 -40.036 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -10.248 -7.565 -30.233 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -11.157 -7.841 -30.481 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -9.973 -6.976 -30.967 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -20.556 1.022 -40.209 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -20.860 1.304 -39.319 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -21.384 0.829 -40.691 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -14.975 -7.745 -41.128 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -14.105 -7.929 -40.716 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -14.786 -7.043 -41.785 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -13.455 -9.322 -34.573 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -13.483 -8.986 -35.505 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -12.665 -8.885 -34.187 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -21.057 -11.985 -38.509 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -20.522 -12.552 -39.080 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -20.853 -12.301 -37.604 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -17.889 4.357 -41.585 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -17.907 3.501 -41.101 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -18.682 4.323 -42.161 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -18.011 2.112 -39.960 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -17.879 1.998 -38.995 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -18.889 1.707 -40.130 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -16.472 -1.524 -42.107 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -16.048 -0.803 -41.589 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -17.425 -1.299 -42.083 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -13.772 -2.844 -40.185 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -13.215 -3.175 -40.918 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -14.476 -2.349 -40.627 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -15.037 -4.417 -45.350 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -14.266 -3.830 -45.157 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -15.169 -4.327 -46.299 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -24.449 -1.908 -41.870 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -24.944 -2.380 -42.561 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -23.624 -2.431 -41.771 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -21.668 2.108 -37.911 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -21.717 2.258 -36.933 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -22.004 2.934 -38.293 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -20.341 4.744 -42.825 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -20.926 5.228 -42.201 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -20.938 4.160 -43.306 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -25.925 0.015 -45.861 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -25.901 0.971 -45.935 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -26.799 -0.228 -46.173 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -29.133 1.079 -34.298 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -28.285 0.770 -33.971 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -29.105 2.046 -34.162 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -30.948 5.300 -34.990 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -30.931 6.243 -35.271 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -31.642 4.895 -35.559 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -10.349 3.919 -32.949 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -9.788 3.190 -33.283 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -11.153 3.880 -33.512 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -19.433 7.201 -43.676 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -19.698 6.270 -43.547 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -20.190 7.709 -43.361 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -26.308 9.480 -37.929 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -27.199 9.497 -38.344 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -26.469 9.766 -37.006 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -16.859 7.900 -43.564 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -17.801 7.620 -43.689 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -16.564 8.132 -44.452 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -12.178 -5.004 -30.531 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -11.591 -4.416 -31.054 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -12.813 -5.354 -31.195 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -25.434 -12.832 -36.292 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -24.760 -13.008 -36.976 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -24.917 -12.725 -35.468 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -21.920 -2.934 -41.675 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -21.695 -2.201 -42.285 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -21.137 -3.527 -41.720 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -16.808 -3.980 -43.205 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -16.598 -3.077 -42.864 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -16.356 -4.018 -44.072 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -14.653 -5.623 -42.855 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -15.473 -5.143 -42.608 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -14.628 -5.554 -43.830 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -28.903 -5.744 -41.825 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -28.120 -6.185 -41.432 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -28.547 -5.292 -42.617 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -17.519 -6.528 -37.302 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -17.279 -6.975 -38.145 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -16.688 -6.147 -36.991 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -24.629 -4.189 -43.593 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -24.000 -3.866 -44.246 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -24.162 -4.935 -43.158 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -21.190 -7.664 -41.136 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -20.274 -7.659 -41.477 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -21.156 -8.286 -40.380 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -13.317 -8.262 -37.036 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -12.890 -7.397 -37.179 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -13.420 -8.623 -37.930 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -23.152 -6.308 -42.509 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -22.385 -6.653 -41.991 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -23.462 -7.075 -43.003 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -23.155 -0.122 -38.552 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -22.560 0.496 -38.085 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -23.800 0.458 -38.986 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -23.068 0.510 -41.580 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -23.560 1.160 -41.031 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -23.654 -0.278 -41.599 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -19.162 -0.897 -41.790 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -19.845 -0.836 -42.489 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -19.471 -0.275 -41.104 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -27.106 -11.539 -34.253 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -27.460 -10.639 -34.449 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -26.880 -11.900 -35.129 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -19.321 -3.729 -42.022 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -19.147 -2.794 -41.805 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -18.501 -4.025 -42.468 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -18.521 -7.877 -41.904 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -18.223 -8.621 -42.440 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -18.119 -7.103 -42.324 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -13.675 -5.904 -32.648 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -13.638 -5.160 -33.270 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -14.450 -6.436 -32.955 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -12.414 -4.163 -42.233 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -13.200 -4.733 -42.400 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -11.690 -4.788 -42.119 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -28.341 -8.243 -38.651 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -29.160 -7.734 -38.594 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -28.637 -9.185 -38.585 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -32.529 8.586 -40.110 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -32.212 9.502 -39.965 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -31.708 8.040 -40.046 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -30.219 7.280 -39.742 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -29.773 6.473 -39.475 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -29.668 7.997 -39.365 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -14.590 6.111 -32.610 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -13.785 5.810 -32.124 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -14.292 6.927 -33.068 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -12.752 4.034 -34.226 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -12.616 4.684 -34.955 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -13.372 4.477 -33.627 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -15.288 4.605 -39.434 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -15.366 5.336 -40.076 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -15.616 3.837 -39.913 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -12.965 -2.850 -44.616 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -12.613 -1.956 -44.645 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -12.665 -3.199 -43.753 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -22.801 -2.765 -39.035 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -22.429 -2.724 -39.940 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -22.869 -1.820 -38.760 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -12.688 -2.857 -33.869 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -13.586 -2.491 -33.722 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -12.501 -2.653 -34.793 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -12.615 -8.080 -39.784 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -12.358 -7.275 -39.283 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -11.778 -8.504 -39.998 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -12.144 -5.913 -38.127 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -12.880 -5.281 -38.013 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -11.343 -5.365 -37.991 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -30.508 -8.337 -35.583 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -31.414 -8.631 -35.388 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -30.630 -7.500 -36.079 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -12.191 -10.139 -29.096 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -11.682 -10.446 -29.862 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -12.548 -9.277 -29.379 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -26.791 -6.740 -40.396 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -27.100 -7.508 -39.869 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -25.846 -6.652 -40.165 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -27.435 -4.777 -38.580 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -26.795 -4.080 -38.848 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -27.249 -5.516 -39.195 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -16.090 -10.637 -29.559 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -15.473 -11.173 -29.017 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -16.459 -9.979 -28.923 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -15.083 8.642 -40.464 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -14.448 8.924 -41.132 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -15.323 7.727 -40.731 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -29.255 -10.786 -38.532 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -29.955 -11.278 -38.964 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -28.627 -11.482 -38.229 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -21.825 2.791 -35.300 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -21.174 2.774 -34.573 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -22.304 3.636 -35.167 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -15.578 -7.574 -33.664 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -15.025 -8.308 -33.990 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -16.443 -7.734 -34.057 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -22.698 5.395 -34.995 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -22.364 6.090 -34.376 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -23.661 5.570 -35.051 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -24.376 2.198 -39.886 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -23.851 3.013 -39.705 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -25.290 2.476 -39.770 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -21.553 5.517 -37.427 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -21.936 5.480 -36.517 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -20.590 5.617 -37.277 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -18.428 -13.979 -39.062 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -18.097 -13.402 -39.758 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -17.663 -14.087 -38.458 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -27.402 -4.575 -43.907 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -26.449 -4.428 -43.740 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -27.520 -4.336 -44.829 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -20.548 -9.368 -39.027 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -19.745 -9.364 -38.475 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -20.905 -10.276 -38.921 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -18.241 -9.344 -37.313 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -17.672 -9.230 -38.105 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -18.104 -8.525 -36.807 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -10.941 6.708 -12.310 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -11.099 7.598 -12.715 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -10.287 6.294 -12.898 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -12.943 -6.649 -28.310 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -12.691 -6.223 -29.152 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -12.088 -6.844 -27.876 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -10.855 -4.255 -28.267 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -11.324 -4.562 -29.072 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -11.457 -3.622 -27.870 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -12.780 -8.133 -31.144 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -13.472 -8.808 -31.311 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -13.070 -7.361 -31.672 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -17.141 -8.800 -27.875 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -16.601 -8.009 -27.683 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -18.061 -8.451 -27.951 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -15.599 -6.466 -27.687 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -14.630 -6.639 -27.766 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -15.830 -6.041 -28.521 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -24.789 -2.090 -0.725 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -23.910 -2.535 -0.831 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -24.628 -1.181 -1.034 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -22.242 1.792 -2.973 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -22.765 0.961 -2.939 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -21.392 1.552 -2.575 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -29.142 -7.939 -5.812 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -29.356 -8.840 -6.161 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -29.478 -7.954 -4.890 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -27.482 -1.368 -0.762 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -26.560 -1.672 -0.756 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -27.723 -1.320 0.189 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -18.473 2.264 -3.868 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -17.573 2.155 -3.484 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -18.316 2.747 -4.702 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -16.019 1.836 -2.781 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -16.190 1.206 -2.049 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -15.118 1.641 -3.057 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -10.930 -9.318 0.607 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -11.246 -10.120 0.150 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -11.720 -8.993 1.098 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -25.331 -2.661 -3.447 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -25.948 -3.366 -3.713 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -25.371 -2.665 -2.478 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -24.430 -7.470 0.405 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -23.486 -7.581 0.155 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -24.410 -6.813 1.132 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -20.375 -1.320 -0.172 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -20.253 -0.529 -0.744 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -21.073 -1.851 -0.640 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -24.892 -6.196 -2.145 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -24.077 -5.682 -1.933 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -25.000 -6.788 -1.382 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -23.315 -1.226 2.343 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -22.867 -0.985 3.187 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -22.859 -0.703 1.677 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -9.839 4.506 -7.823 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -10.571 5.084 -8.134 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -10.292 3.704 -7.491 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -10.021 -4.633 -1.348 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -10.687 -4.672 -2.069 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -9.959 -5.559 -1.029 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -17.692 4.078 -5.883 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -16.757 4.360 -5.821 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -17.934 4.265 -6.820 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -8.427 1.681 -11.212 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -9.062 1.893 -10.519 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -7.584 2.083 -10.897 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -14.328 -1.592 -0.686 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -14.407 -2.501 -1.035 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -13.377 -1.439 -0.637 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -11.040 -2.746 0.358 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -11.854 -3.162 0.702 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -10.712 -3.382 -0.312 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -14.291 -4.305 -1.437 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -13.586 -4.521 -2.086 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -13.862 -4.438 -0.566 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -19.511 0.752 -1.806 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -18.639 0.660 -1.392 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -19.331 1.268 -2.624 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -16.619 -0.121 -0.874 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -15.705 -0.475 -0.800 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -17.180 -0.872 -0.601 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -22.105 -4.797 1.341 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -22.940 -5.095 1.758 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -22.332 -4.718 0.380 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -27.730 -1.671 1.926 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -28.401 -2.060 2.492 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -26.929 -2.203 2.098 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -18.284 4.865 -8.428 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -17.727 4.603 -9.188 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -18.841 5.590 -8.777 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -8.577 7.310 -10.984 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -8.570 8.286 -11.115 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -9.516 7.066 -11.085 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -19.979 6.931 -9.124 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -19.632 7.830 -9.168 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -20.408 6.882 -8.239 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -25.115 4.600 -5.884 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -24.331 4.354 -5.345 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -24.956 4.172 -6.744 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -21.210 -8.024 -4.531 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -20.473 -8.039 -3.880 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -21.019 -8.778 -5.122 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -18.493 -10.870 -3.528 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -17.755 -11.199 -4.062 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -18.857 -11.673 -3.099 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -18.150 -4.211 1.995 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -18.537 -5.096 1.816 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -18.929 -3.656 2.224 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -20.460 -2.813 2.133 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -20.468 -2.133 1.423 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -21.169 -3.445 1.865 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -26.891 -5.051 -3.646 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -26.254 -5.284 -2.934 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -26.923 -5.852 -4.198 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -27.336 -6.535 -7.329 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -27.996 -6.598 -6.611 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -27.157 -7.485 -7.570 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -17.051 -4.423 -1.886 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -16.071 -4.429 -1.798 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -17.335 -3.653 -1.343 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -20.486 -9.005 -8.342 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -20.409 -9.470 -9.198 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -20.365 -9.701 -7.679 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -12.954 -2.590 -4.788 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -13.344 -2.817 -5.668 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -12.683 -1.652 -4.889 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -15.650 -3.676 2.909 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -16.531 -3.928 2.541 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -15.805 -2.819 3.321 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -23.401 -0.691 -2.743 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -24.055 -1.183 -3.277 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -22.842 -1.393 -2.344 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -18.099 -6.804 -0.790 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -18.664 -6.561 -0.030 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -17.723 -5.954 -1.091 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -13.339 3.862 -7.715 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -14.138 4.239 -7.297 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -12.940 4.616 -8.190 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -17.918 -2.493 -0.180 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -17.903 -3.051 0.623 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -18.819 -2.096 -0.179 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -13.312 7.659 -7.073 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -12.922 8.538 -6.873 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -14.266 7.841 -7.174 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -24.512 -5.551 2.441 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -24.792 -5.676 3.354 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -24.901 -4.678 2.187 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -11.366 2.378 -6.607 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -11.298 2.808 -5.725 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -12.157 2.800 -7.017 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -27.434 -9.009 -2.478 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -27.770 -9.898 -2.735 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -27.098 -9.133 -1.559 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -21.857 -0.654 4.572 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -21.428 -1.501 4.822 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -21.347 0.013 5.035 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -13.368 -4.092 1.156 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -14.125 -3.595 1.518 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -13.287 -4.862 1.750 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -25.290 -3.021 1.842 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -24.615 -2.394 2.201 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -25.286 -2.839 0.879 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -21.832 -7.401 -0.560 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -22.068 -6.483 -0.843 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -21.253 -7.721 -1.262 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -31.097 -3.822 -0.878 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -30.652 -3.035 -1.251 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -31.079 -4.461 -1.590 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -26.548 -9.120 0.108 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -26.703 -9.385 1.016 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -25.773 -8.513 0.163 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -19.792 -6.313 1.369 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -20.588 -5.735 1.343 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -20.155 -7.208 1.413 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -20.457 -2.978 4.867 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -20.386 -2.924 3.889 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -20.594 -3.912 5.043 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -19.257 -15.188 -0.563 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -19.479 -15.307 0.368 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -18.275 -15.215 -0.581 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -29.151 5.812 -6.394 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -29.626 6.608 -6.126 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -29.097 5.885 -7.378 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -37.207 5.404 2.364 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -36.762 5.089 3.151 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -38.051 4.952 2.369 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -12.329 -0.205 -5.909 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -12.699 -0.592 -6.719 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -11.955 0.650 -6.198 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -29.846 -5.231 -3.875 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -28.934 -4.943 -3.688 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -29.888 -6.142 -3.514 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -13.139 -8.136 1.856 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -14.010 -8.428 1.574 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -13.317 -7.338 2.393 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -14.010 -5.848 3.250 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -14.691 -5.140 3.173 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -13.882 -5.949 4.199 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -26.549 -7.619 -4.674 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -26.685 -8.076 -3.810 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -27.192 -8.045 -5.268 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -29.639 -1.936 -2.267 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -29.217 -2.065 -3.118 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -28.898 -1.686 -1.667 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -15.206 5.432 -6.313 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -15.728 6.168 -6.691 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -14.400 5.859 -5.990 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -22.724 3.899 -4.670 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -21.810 4.243 -4.706 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -22.667 3.136 -4.047 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -20.130 4.908 -4.845 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -19.898 4.921 -3.909 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -19.327 4.547 -5.284 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -11.935 -10.128 -3.326 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -11.060 -10.017 -3.736 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -12.557 -9.909 -4.041 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -9.958 -9.908 -5.329 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -10.059 -10.888 -5.348 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -10.791 -9.575 -5.731 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -26.296 2.204 -9.902 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -25.644 2.583 -9.284 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -26.951 1.771 -9.323 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -11.959 6.043 -8.765 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -12.188 6.439 -9.619 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -12.346 6.665 -8.101 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -28.729 11.472 -33.213 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -29.498 11.619 -33.793 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -28.956 10.660 -32.712 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -26.012 23.241 -36.122 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -25.663 22.994 -36.981 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -26.350 22.391 -35.747 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -12.736 8.467 -36.505 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -13.586 8.719 -36.944 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -12.086 9.064 -36.892 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -19.669 11.455 -37.363 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -19.297 10.626 -37.708 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -20.445 11.622 -37.924 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -23.902 13.399 -39.488 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -23.179 12.771 -39.244 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -23.599 13.794 -40.311 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -17.849 8.856 -41.065 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -17.537 8.780 -41.987 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -17.047 9.087 -40.562 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -27.897 15.727 -36.462 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -27.484 15.024 -35.924 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -27.421 15.679 -37.314 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -26.792 10.523 -35.370 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -26.876 11.221 -34.701 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -27.719 10.204 -35.501 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -21.414 15.464 -33.546 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -22.351 15.695 -33.362 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -21.004 16.318 -33.811 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -16.639 11.633 -37.871 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -17.200 10.843 -37.715 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -17.274 12.332 -38.083 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -26.195 13.733 -35.561 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -25.409 14.295 -35.599 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -26.060 13.082 -36.286 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -24.021 16.114 -32.785 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -24.425 15.906 -31.931 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -24.535 16.883 -33.110 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -13.394 8.265 -33.853 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -12.547 8.380 -33.404 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -13.167 8.305 -34.810 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -21.884 7.942 -38.697 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -22.274 8.561 -38.038 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -21.748 7.114 -38.192 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -17.703 14.081 -31.309 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -17.241 14.708 -31.907 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -18.455 13.748 -31.846 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -20.743 20.462 -35.036 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -21.269 20.977 -34.376 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -21.327 20.400 -35.799 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -24.316 20.201 -32.034 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -24.575 19.460 -32.622 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -25.156 20.446 -31.583 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -27.016 20.929 -35.176 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -27.575 21.056 -34.388 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -27.057 19.967 -35.343 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -17.986 20.426 -35.071 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -17.757 21.246 -34.623 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -18.967 20.449 -35.129 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -15.445 10.732 -30.986 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -15.741 10.695 -30.060 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -15.233 11.676 -31.130 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -25.724 18.205 -33.345 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -26.425 18.212 -34.033 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -26.195 17.950 -32.526 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -25.459 6.846 -38.085 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -24.966 6.762 -38.907 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -25.719 7.793 -38.055 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -16.747 7.063 -34.231 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -16.118 6.607 -33.642 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -16.560 8.020 -34.079 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -24.740 8.802 -34.805 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -25.489 9.420 -34.949 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -24.272 9.173 -34.028 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -26.307 12.770 -32.972 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -26.351 13.262 -33.815 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -27.193 12.354 -32.891 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -26.101 15.174 -38.569 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -25.320 14.602 -38.668 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -26.368 15.367 -39.470 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -20.042 13.336 -32.559 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -20.534 14.118 -32.912 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -20.187 12.641 -33.240 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -22.088 11.420 -38.918 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -22.494 10.763 -38.318 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -21.509 10.879 -39.509 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -17.917 9.215 -37.722 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -18.423 8.849 -36.957 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -17.039 8.812 -37.637 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -23.439 11.916 -35.482 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -24.128 12.039 -36.169 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -23.941 11.768 -34.664 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -20.096 17.861 -34.070 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -20.362 18.759 -34.340 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -19.147 17.940 -33.879 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -17.194 18.059 -33.993 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -16.908 17.417 -34.671 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -17.359 18.888 -34.501 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -15.921 15.883 -35.595 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -15.904 14.902 -35.701 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -15.402 16.208 -36.336 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -28.851 20.720 -32.995 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -29.258 20.099 -33.633 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -29.576 21.331 -32.765 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -18.966 7.852 -35.661 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -18.304 7.626 -34.981 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -19.048 7.038 -36.195 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -20.809 11.732 -34.672 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -21.694 11.962 -35.018 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -20.267 11.596 -35.474 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -20.324 9.756 -40.105 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -20.643 8.953 -39.651 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -19.424 9.519 -40.409 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -15.810 9.499 -33.417 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -14.881 9.240 -33.561 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -15.803 9.933 -32.535 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -22.921 4.465 -39.483 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -22.560 4.868 -38.661 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -22.556 5.022 -40.197 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -29.310 25.229 -27.319 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -28.455 24.941 -27.709 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -29.963 25.056 -28.018 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -24.888 22.861 -29.222 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -23.931 22.647 -29.157 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -25.261 22.129 -29.733 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -16.608 20.005 -31.989 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -16.782 19.289 -32.627 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -17.504 20.341 -31.758 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -16.091 15.698 -32.844 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -15.881 15.629 -33.796 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -16.449 16.597 -32.749 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -24.380 12.524 -31.027 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -25.087 12.686 -31.694 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -24.252 13.393 -30.601 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -23.009 9.629 -36.889 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -22.856 10.438 -36.360 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -23.604 9.093 -36.328 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -25.276 6.174 -35.440 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -25.062 7.093 -35.156 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -25.397 6.249 -36.414 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -23.376 10.469 -32.878 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -23.770 11.012 -32.164 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -22.512 10.878 -33.036 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -15.017 13.427 -31.048 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -14.712 14.188 -31.563 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -15.975 13.591 -30.931 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -22.145 7.447 -33.334 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -22.304 8.381 -33.155 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -22.352 6.999 -32.481 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -12.378 17.390 -28.941 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -11.909 18.024 -29.487 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -13.157 17.883 -28.617 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -30.229 19.146 -34.825 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -30.470 18.309 -34.365 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -31.075 19.522 -35.095 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -9.615 13.724 -27.962 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -10.320 14.346 -28.225 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -10.097 13.003 -27.508 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -12.628 12.237 -29.443 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -12.421 13.154 -29.143 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -13.447 12.338 -29.955 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -15.603 13.145 -35.793 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -15.868 12.571 -36.540 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -15.714 12.586 -35.015 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -30.698 11.698 -35.246 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -30.047 11.003 -35.511 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -31.552 11.347 -35.564 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -14.075 6.783 -26.234 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -14.687 6.244 -26.765 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -13.497 7.210 -26.897 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -28.990 9.529 -38.645 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -29.136 9.559 -37.669 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -29.711 10.081 -39.008 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -31.021 14.415 -35.528 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -30.794 13.458 -35.465 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -30.169 14.869 -35.418 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -12.838 8.203 -28.228 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -13.448 7.752 -28.858 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -12.184 8.646 -28.810 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -26.827 20.594 -31.002 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -27.353 20.191 -30.282 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -27.465 20.689 -31.739 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -14.645 6.819 -29.767 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -15.255 6.304 -29.210 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -14.907 6.600 -30.676 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -18.965 6.526 -40.240 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -18.520 7.355 -40.529 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -18.473 5.817 -40.702 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -13.605 3.699 -37.505 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -14.187 4.115 -38.182 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -13.126 4.458 -37.104 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -14.930 9.374 -37.836 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -14.984 9.104 -38.779 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -15.331 10.265 -37.820 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -25.261 12.070 -37.529 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -24.842 12.479 -38.314 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -25.498 11.168 -37.826 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -21.559 6.400 -40.967 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -20.624 6.405 -40.655 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -21.978 7.124 -40.456 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -15.965 6.285 -41.561 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -16.162 6.836 -42.351 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -16.565 5.511 -41.657 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -16.857 19.409 -21.774 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -16.885 18.737 -22.491 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -16.379 20.157 -22.175 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -29.283 22.195 -19.521 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -29.435 22.800 -18.753 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -29.391 21.295 -19.134 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -18.035 19.510 -19.131 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -17.943 19.618 -20.094 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -17.179 19.135 -18.854 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -20.528 21.849 -24.920 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -21.105 22.612 -25.072 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -20.851 21.178 -25.571 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -27.692 17.997 -19.476 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -26.947 17.580 -19.927 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -28.347 17.262 -19.354 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -15.389 18.680 -19.497 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -15.059 17.769 -19.627 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -15.777 18.921 -20.363 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -15.317 20.684 -23.756 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -16.209 20.943 -24.078 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -14.935 20.174 -24.497 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -17.955 20.871 -24.476 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -18.810 21.300 -24.690 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -18.157 19.928 -24.470 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -16.716 17.200 -16.222 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -16.171 16.491 -15.834 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -16.968 16.853 -17.103 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -13.344 16.604 -17.217 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -13.512 17.561 -17.049 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -13.799 16.431 -18.073 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -23.337 20.425 -21.611 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -23.920 21.126 -21.929 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -22.444 20.806 -21.686 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -16.040 19.685 -15.412 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -16.352 18.798 -15.710 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -16.845 20.119 -15.074 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -23.037 16.616 -10.743 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -23.129 15.834 -11.314 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -23.380 16.323 -9.873 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -23.299 23.545 -21.720 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -23.266 23.662 -20.743 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -22.441 23.120 -21.937 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -29.370 15.742 -14.299 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -28.430 15.564 -14.117 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -29.660 14.966 -14.834 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -22.725 19.010 -12.083 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -21.771 19.172 -11.927 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -22.929 18.237 -11.516 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -21.013 22.110 -22.223 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -20.825 21.878 -23.159 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -20.154 22.364 -21.867 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -28.468 24.870 -24.744 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -28.821 24.945 -25.663 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -28.710 25.704 -24.332 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -28.056 14.818 -17.268 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -28.752 14.318 -16.795 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -28.552 15.360 -17.918 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -20.357 13.912 -10.063 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -20.880 13.098 -9.938 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -19.449 13.589 -10.257 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -25.493 19.489 -12.850 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -24.539 19.539 -12.643 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -25.822 18.788 -12.281 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -14.270 16.101 -19.730 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -14.703 15.357 -20.192 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -13.428 16.234 -20.224 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -22.675 17.009 -13.995 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -22.782 17.882 -13.575 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -22.033 16.551 -13.430 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -25.655 15.035 -16.052 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -25.403 15.928 -16.312 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -26.488 14.863 -16.558 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -19.570 12.362 -13.797 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -18.835 13.007 -13.835 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -19.219 11.573 -14.276 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -19.614 19.993 -16.950 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -20.395 19.510 -17.230 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -18.994 19.909 -17.713 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -11.152 11.586 -27.224 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -11.581 10.929 -26.634 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -11.820 11.752 -27.927 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -14.905 15.289 -15.228 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -14.277 15.723 -15.840 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -14.337 14.980 -14.484 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -14.508 19.076 -28.263 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -14.346 19.615 -29.074 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -15.440 19.224 -28.068 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -25.298 25.782 -18.528 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -25.237 26.284 -19.354 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -25.962 25.083 -18.722 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -16.545 17.855 -24.012 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -15.746 18.233 -24.436 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -16.618 16.962 -24.401 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -14.355 18.661 -25.496 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -13.541 18.269 -25.133 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -14.201 18.685 -26.462 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -29.423 23.535 -17.198 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -29.994 23.124 -16.536 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -28.532 23.532 -16.784 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -21.733 20.308 -30.948 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -22.613 20.154 -31.352 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -21.739 19.742 -30.133 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -22.308 22.076 -28.919 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -22.038 21.600 -29.727 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -22.116 21.437 -28.192 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -23.200 22.443 -25.947 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -23.320 22.885 -26.797 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -22.791 21.577 -26.183 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -22.565 21.779 -33.542 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -23.225 21.199 -33.109 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -22.548 22.566 -32.993 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -19.100 20.944 -31.397 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -19.162 21.740 -30.863 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -20.016 20.584 -31.396 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -29.525 20.269 -15.455 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -29.835 19.510 -14.917 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -30.354 20.735 -15.705 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -24.008 13.914 -11.676 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -24.539 14.350 -10.972 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -24.653 13.337 -12.130 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -18.575 20.339 -14.471 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -19.221 20.892 -14.019 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -18.949 20.225 -15.380 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -30.135 15.627 -11.674 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -29.981 15.729 -12.637 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -29.258 15.826 -11.273 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -20.515 16.613 -9.547 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -21.385 16.686 -9.981 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -20.316 15.657 -9.568 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -12.158 14.710 -28.337 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -12.417 14.724 -27.386 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -12.254 15.647 -28.624 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -20.019 18.583 -11.463 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -20.012 17.978 -10.693 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -19.123 18.503 -11.837 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -23.296 23.889 -19.003 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -23.260 23.380 -18.186 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -23.934 24.600 -18.814 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -28.429 25.835 -21.278 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -27.490 25.602 -21.440 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -28.386 26.631 -20.742 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -12.056 16.896 -24.080 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -11.273 16.574 -23.590 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -12.411 17.623 -23.519 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -13.185 18.977 -22.735 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -13.850 19.682 -22.825 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -12.616 19.273 -21.998 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -11.823 16.524 -20.780 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -11.279 16.136 -21.501 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -11.634 17.488 -20.830 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -14.024 19.300 -17.212 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -14.648 19.573 -16.501 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -14.592 19.215 -18.010 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -12.635 14.716 -25.614 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -12.286 14.032 -25.036 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -12.500 15.550 -25.108 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -12.135 9.481 -25.810 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -12.535 8.973 -26.546 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -12.852 9.555 -25.149 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -17.549 14.205 -14.668 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -17.843 13.809 -15.514 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -16.613 14.444 -14.826 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -13.020 14.391 -13.406 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -12.996 13.558 -12.899 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -12.087 14.666 -13.446 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -29.879 13.474 -15.695 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -30.720 13.076 -16.012 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -29.430 12.741 -15.218 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -11.965 9.153 -22.224 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -12.165 9.329 -21.282 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -12.710 9.569 -22.711 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -26.875 23.611 -19.162 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -27.640 23.105 -19.492 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -26.834 23.383 -18.205 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -24.857 22.626 -23.777 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -24.260 23.081 -23.150 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -24.323 22.544 -24.599 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -25.026 18.220 -21.871 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -24.402 17.651 -22.325 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -24.490 18.995 -21.603 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -27.504 22.816 -23.219 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -26.551 22.758 -23.464 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -27.849 23.554 -23.775 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -14.314 20.452 -30.606 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -13.888 21.110 -31.161 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -15.152 20.241 -31.085 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -26.792 24.343 -27.935 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -26.153 23.890 -28.529 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -26.447 24.180 -27.052 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -17.265 9.301 -11.261 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -17.019 9.983 -10.607 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -18.207 9.498 -11.467 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -23.216 8.160 -9.785 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -22.447 7.722 -9.402 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -22.884 8.518 -10.642 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -22.416 12.024 -10.365 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -22.861 12.803 -10.756 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -22.502 11.331 -11.059 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -17.829 13.430 -11.075 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -17.300 12.974 -11.772 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -17.971 14.331 -11.437 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -18.425 15.718 -12.595 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -18.085 16.638 -12.676 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -18.064 15.259 -13.388 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -24.062 13.645 -6.561 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -24.240 13.081 -5.781 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -24.304 13.079 -7.320 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -20.517 10.282 -9.196 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -21.320 10.823 -9.264 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -20.202 10.205 -10.121 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -29.711 10.742 -10.897 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -30.480 10.131 -10.878 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -30.118 11.639 -10.865 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -24.388 11.471 -4.813 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -23.551 11.234 -4.408 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -24.958 10.688 -4.659 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -24.699 12.171 -8.804 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -25.092 11.274 -8.731 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -23.834 12.015 -9.232 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -26.677 14.692 -13.540 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -26.449 13.765 -13.329 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -26.247 14.852 -14.410 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -25.561 9.006 -4.122 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -25.935 8.295 -4.688 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -25.758 8.719 -3.227 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -16.152 9.411 -13.753 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -16.510 9.209 -12.859 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -15.172 9.351 -13.638 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -14.439 11.110 -10.983 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -13.649 11.661 -11.184 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -14.247 10.260 -11.422 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -23.397 15.752 -8.136 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -22.607 16.218 -7.832 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -23.557 15.069 -7.440 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -19.774 10.232 -11.817 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -19.732 11.004 -12.411 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -20.671 9.840 -11.989 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -18.222 9.504 -8.005 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -19.147 9.763 -8.205 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -17.686 10.182 -8.454 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -21.203 6.595 -6.745 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -22.081 6.763 -6.388 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -20.761 6.056 -6.055 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -25.878 12.151 -12.871 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -25.020 11.682 -13.000 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -26.327 11.634 -12.156 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -27.449 15.884 -11.167 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -27.123 15.555 -12.030 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -26.814 15.523 -10.517 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -25.528 14.699 -9.539 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -25.481 13.780 -9.194 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -24.979 15.216 -8.911 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -21.055 15.122 -12.423 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -20.961 14.752 -11.521 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -20.164 15.493 -12.617 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -17.561 18.293 -12.948 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -16.622 18.353 -13.168 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -17.987 18.953 -13.541 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -16.254 12.060 -12.808 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -15.527 11.853 -12.190 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -16.278 11.296 -13.407 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -16.670 11.396 -9.439 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -17.132 12.181 -9.807 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -15.795 11.396 -9.899 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -15.598 7.570 -9.881 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -16.231 8.040 -10.457 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -14.823 7.397 -10.463 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -26.935 10.577 -10.932 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -26.460 10.187 -10.166 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -27.860 10.675 -10.619 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -26.642 6.806 -5.441 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -27.501 6.462 -5.741 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -26.026 6.046 -5.564 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -28.494 9.272 -12.892 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -27.622 9.090 -12.514 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -28.966 9.752 -12.177 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -25.416 9.514 -8.916 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -24.638 9.015 -9.267 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -25.689 9.007 -8.140 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -16.106 7.930 -7.300 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -17.016 8.298 -7.340 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -15.898 7.713 -8.245 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -13.449 7.325 -11.490 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -12.634 6.859 -11.762 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -13.475 8.118 -12.074 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -18.614 9.998 -14.695 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -19.086 9.179 -14.518 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -17.678 9.786 -14.484 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -24.711 24.958 -15.998 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -24.897 25.414 -16.846 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -24.298 25.631 -15.451 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -25.771 25.061 -21.251 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -24.991 24.655 -21.669 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -26.115 24.363 -20.656 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 1.811 -21.759 -24.583 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 2.124 -22.251 -25.350 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 1.736 -22.423 -23.889 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 1.541 -19.021 -24.471 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 1.506 -20.000 -24.455 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 2.472 -18.821 -24.599 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -6.570 -15.790 -19.252 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -7.168 -15.978 -20.011 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -7.101 -16.036 -18.464 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -1.441 -15.681 -20.105 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -1.217 -15.499 -19.165 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -1.210 -16.620 -20.225 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -0.265 -18.194 -20.482 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -0.769 -18.402 -21.294 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 0.516 -17.704 -20.801 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -1.024 -17.635 -15.209 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -0.613 -17.811 -16.087 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -1.720 -18.297 -15.142 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 6.723 -14.442 -19.967 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 5.875 -14.801 -20.312 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 7.384 -14.764 -20.584 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 1.651 -16.040 -21.454 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 1.211 -16.243 -22.304 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 1.695 -15.064 -21.435 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 0.111 -16.874 -23.598 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -0.715 -17.285 -23.262 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 0.596 -17.621 -24.020 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -4.045 -12.546 -21.468 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -4.864 -12.959 -21.118 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -4.314 -11.623 -21.667 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -0.417 -15.376 -17.618 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -0.363 -16.351 -17.571 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 0.359 -15.071 -17.110 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -1.672 -15.148 -14.122 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -2.078 -14.559 -14.794 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -1.478 -15.975 -14.613 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -3.238 -13.475 -15.749 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -3.587 -13.649 -16.654 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -4.005 -13.579 -15.179 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -11.020 -16.852 -15.953 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -10.571 -16.152 -15.454 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -11.124 -16.479 -16.846 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -10.725 -15.571 -18.436 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -9.774 -15.695 -18.261 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -10.862 -15.986 -19.314 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 1.058 -14.611 -13.763 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 1.383 -13.739 -13.442 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 0.083 -14.529 -13.738 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 1.509 -12.502 -27.318 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 2.232 -11.839 -27.297 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 1.801 -13.155 -27.992 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -0.470 -14.219 -23.815 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -0.216 -15.162 -23.926 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -0.124 -13.782 -24.609 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -8.471 -15.655 -21.220 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -8.544 -15.253 -22.113 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -9.336 -16.090 -21.086 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 4.784 -11.476 -13.198 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 5.596 -11.536 -12.648 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 5.121 -11.346 -14.112 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 1.249 -16.095 -30.921 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 1.353 -16.545 -31.765 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 0.316 -16.198 -30.709 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -2.072 -18.211 -22.607 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -2.346 -18.790 -23.356 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -2.897 -18.019 -22.143 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 0.710 -17.210 -13.006 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 1.014 -16.322 -13.287 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 0.150 -17.512 -13.742 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -8.864 -14.570 -23.732 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -9.658 -14.291 -24.230 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -8.136 -14.407 -24.338 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -8.297 -16.240 -17.181 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -8.500 -15.610 -16.458 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -8.618 -17.090 -16.849 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -2.240 -10.864 -15.485 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -1.576 -10.968 -14.766 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -2.552 -11.773 -15.651 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -0.088 -18.095 -17.731 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 0.895 -18.030 -17.683 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -0.264 -18.342 -18.666 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 5.290 -10.690 -15.782 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 5.821 -10.130 -16.378 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 4.496 -10.151 -15.601 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -6.407 -13.330 -20.363 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -6.417 -14.235 -19.977 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -7.277 -13.242 -20.771 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -2.774 -19.816 -24.709 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -2.137 -19.968 -25.415 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -3.440 -20.499 -24.836 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -5.212 -8.724 -24.255 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -5.796 -8.899 -24.999 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -4.424 -8.291 -24.664 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 0.091 -11.687 -25.194 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -0.671 -11.276 -25.612 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 0.642 -12.002 -25.954 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 4.228 -15.001 -20.845 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 3.613 -15.749 -20.928 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 3.657 -14.216 -20.948 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -11.113 -13.612 -25.191 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -11.865 -13.926 -24.676 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -11.004 -12.673 -24.909 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 2.504 -17.389 -17.487 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 2.343 -16.524 -17.052 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 3.446 -17.388 -17.672 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -8.070 -16.984 -11.107 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -8.904 -16.867 -10.585 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -8.369 -17.337 -11.952 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -3.255 -7.142 -25.168 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -3.284 -6.211 -25.433 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -2.498 -7.188 -24.546 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 2.085 -13.202 -21.167 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 1.966 -12.525 -21.868 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 2.181 -12.673 -20.342 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -9.458 -14.612 -15.250 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -10.017 -14.059 -15.851 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -9.401 -14.096 -14.439 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -4.735 -13.944 -18.000 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -5.047 -14.835 -18.239 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -5.085 -13.377 -18.703 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -0.544 -11.441 -13.469 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -0.829 -11.919 -12.661 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 0.418 -11.602 -13.512 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 1.992 -14.982 -16.273 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 2.474 -14.166 -16.462 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 1.757 -14.907 -15.317 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 4.793 -12.624 -18.855 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 5.196 -13.324 -19.400 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 5.515 -12.319 -18.295 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -5.176 -10.109 -21.906 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -5.100 -9.569 -22.724 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -6.123 -10.176 -21.757 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -12.342 -14.141 -27.798 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -11.888 -13.843 -28.615 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -11.718 -13.915 -27.078 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 2.438 -14.306 -29.179 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 3.349 -14.359 -29.475 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 1.957 -14.918 -29.774 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 5.908 -13.264 -4.280 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 6.274 -12.486 -4.738 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 6.525 -13.412 -3.532 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -6.006 -13.965 0.031 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -5.640 -13.079 0.211 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -5.207 -14.532 -0.097 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -1.737 -14.050 -1.718 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -1.033 -14.710 -1.767 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -1.830 -13.732 -2.647 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 0.981 -13.539 -3.424 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 0.085 -13.211 -3.649 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 1.043 -14.396 -3.905 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -10.799 -16.570 -6.278 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -11.532 -16.304 -5.687 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -10.042 -16.024 -5.973 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 1.466 -11.663 -1.368 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 0.558 -11.646 -0.993 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 1.435 -12.385 -2.034 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 3.514 -14.230 -5.230 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 2.958 -13.889 -4.514 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 4.432 -14.015 -4.940 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -5.167 -11.259 0.343 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -5.717 -11.189 -0.463 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -5.024 -10.331 0.613 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -1.135 -11.697 -0.411 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -1.769 -10.992 -0.649 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -1.507 -12.507 -0.827 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -8.480 -14.900 0.341 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -7.537 -14.593 0.293 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -8.461 -15.616 0.986 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -1.558 -12.769 2.133 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -1.262 -12.119 2.814 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -1.290 -12.362 1.283 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 1.990 -11.411 -10.437 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 1.533 -12.207 -10.080 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 1.565 -10.662 -9.969 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 4.877 -8.233 5.572 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 5.186 -8.147 6.477 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 5.303 -9.060 5.251 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -1.697 -13.417 -6.872 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -1.900 -14.182 -7.452 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -0.906 -13.010 -7.280 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 0.066 -16.434 -7.642 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 0.396 -16.583 -8.547 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -0.857 -16.142 -7.775 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 2.129 -9.999 0.876 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 1.954 -10.625 0.145 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 1.343 -9.413 0.882 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 3.258 -14.508 -7.931 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 3.344 -14.364 -6.959 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 3.557 -15.415 -8.061 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -1.572 -12.997 -4.183 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -1.690 -13.212 -5.140 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -1.678 -12.018 -4.141 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 1.042 -15.657 -5.159 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 0.594 -16.006 -5.961 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 1.967 -15.560 -5.429 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -2.245 -15.407 2.037 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -2.031 -14.447 2.057 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -1.803 -15.762 2.810 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -3.713 -15.329 -0.279 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -3.254 -15.514 0.569 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -3.030 -14.900 -0.831 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 4.155 -11.014 2.673 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 3.302 -11.104 2.216 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 4.497 -10.147 2.362 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 8.662 -13.300 -8.575 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 9.340 -12.635 -8.825 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 9.173 -14.061 -8.290 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -4.074 -11.843 2.825 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -4.578 -11.730 1.995 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -3.248 -12.283 2.542 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -2.130 -15.501 -11.397 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -2.015 -15.387 -12.371 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -2.800 -16.220 -11.316 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -3.782 -17.567 -10.750 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -4.641 -17.594 -10.281 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -3.337 -18.375 -10.473 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -6.167 -17.856 -9.345 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -6.818 -17.618 -10.044 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -6.690 -18.330 -8.687 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -2.406 -15.445 -8.543 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -2.368 -15.408 -9.516 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -3.365 -15.497 -8.344 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -6.896 -14.616 -10.223 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -7.501 -13.917 -10.490 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -7.304 -15.433 -10.571 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -9.027 -14.878 -5.043 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -8.854 -14.802 -4.082 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -8.128 -14.846 -5.450 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -0.941 -12.975 -11.201 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -0.273 -13.178 -10.517 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -1.495 -13.776 -11.237 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 1.101 -13.888 -9.560 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 1.753 -14.036 -8.843 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 0.903 -14.792 -9.890 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -3.487 -22.558 -18.312 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -2.684 -22.886 -17.907 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -4.050 -23.329 -18.387 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 0.316 -16.386 -10.431 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 0.653 -16.874 -11.216 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -0.583 -16.108 -10.698 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -5.166 -15.512 -8.318 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -5.410 -16.428 -8.555 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -5.667 -14.960 -8.961 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -11.517 -14.108 -2.667 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -10.553 -14.248 -2.536 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -11.768 -14.779 -3.338 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -8.756 -14.299 -2.329 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -8.066 -13.619 -2.337 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -8.694 -14.690 -1.428 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 9.463 -11.682 -0.711 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 9.409 -11.534 0.253 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 9.572 -10.790 -1.080 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 6.377 -12.295 1.672 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 6.178 -12.053 0.739 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 5.554 -12.076 2.153 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 5.823 -11.413 -0.903 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 5.076 -11.094 -1.457 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 6.273 -12.079 -1.467 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -2.731 -9.374 -1.243 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -3.455 -8.863 -1.650 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -2.596 -8.939 -0.374 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -1.035 -10.813 3.951 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -1.824 -10.610 4.490 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -0.437 -10.061 4.108 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 1.111 -8.916 3.667 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 1.620 -9.660 3.321 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 1.786 -8.234 3.863 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -8.186 -9.770 1.067 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -8.208 -10.739 0.949 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -9.127 -9.509 1.027 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -5.643 -8.567 1.037 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -6.452 -9.043 1.320 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -5.978 -7.873 0.432 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -7.167 -10.847 -1.546 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -7.806 -11.421 -1.072 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -7.403 -9.954 -1.266 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -6.412 -14.821 -5.915 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -6.011 -15.046 -6.779 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -5.659 -14.611 -5.355 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 6.639 -11.571 -8.202 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 7.282 -12.316 -8.293 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 5.794 -11.935 -8.565 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 5.926 -10.605 4.784 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 6.697 -11.145 4.590 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 5.241 -10.931 4.167 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -9.623 -1.242 -37.749 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -9.572 -0.652 -36.961 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -9.427 -0.659 -38.487 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 -12.027 1.986 -35.991 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 -12.437 2.491 -36.718 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 -12.317 2.457 -35.187 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -9.695 5.478 -37.178 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -9.234 5.508 -38.019 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -9.100 4.953 -36.595 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -8.546 1.878 -33.493 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -7.808 2.485 -33.270 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -8.577 1.252 -32.734 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -6.888 3.968 -32.788 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -6.015 4.300 -32.549 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -7.478 4.315 -32.081 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -9.573 0.755 -35.854 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -10.448 1.201 -35.928 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -9.231 1.043 -34.986 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -8.022 3.894 -35.662 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -8.182 2.940 -35.654 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -7.550 4.063 -34.831 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -12.110 5.653 -31.671 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -11.608 6.077 -30.947 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -11.456 5.074 -32.104 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -8.588 0.457 -31.132 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -8.236 -0.431 -30.895 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -9.223 0.653 -30.434 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -10.643 -3.444 -32.210 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -11.369 -3.151 -32.811 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -10.116 -2.645 -32.066 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -10.362 -3.840 -37.531 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -10.096 -2.906 -37.719 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -9.711 -4.143 -36.889 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -9.652 -5.989 -32.414 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -10.129 -5.144 -32.553 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -8.811 -5.715 -31.992 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -13.180 -3.315 -37.577 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -12.206 -3.312 -37.602 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -13.446 -3.081 -38.498 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -8.763 4.644 -30.891 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -9.161 5.455 -30.506 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -9.400 4.375 -31.592 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -1.737 -2.806 -22.313 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -0.923 -2.485 -22.740 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -2.387 -2.097 -22.481 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -0.670 -3.722 -19.946 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -1.172 -3.380 -20.717 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -0.718 -4.691 -20.045 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -9.282 2.979 -21.029 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -9.512 3.880 -21.318 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -9.086 3.078 -20.073 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -6.698 1.442 -19.079 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -7.283 2.195 -18.858 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -6.664 1.447 -20.055 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 6.258 -8.610 -17.323 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 5.863 -7.820 -16.890 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 5.836 -8.633 -18.206 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 2.076 -8.012 -20.023 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 1.967 -8.549 -19.211 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 3.046 -7.947 -20.133 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 4.078 -4.996 -18.266 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 3.118 -5.204 -18.350 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 4.109 -4.281 -17.589 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -6.708 -0.053 -26.697 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -6.955 0.807 -27.056 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -6.207 0.163 -25.882 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 1.909 -9.017 -17.455 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 1.121 -8.608 -17.070 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 2.591 -8.928 -16.748 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 6.715 -1.483 -13.455 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 6.006 -0.883 -13.138 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 6.243 -2.316 -13.666 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 0.324 -4.876 -25.593 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -0.585 -4.580 -25.414 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 0.870 -4.375 -24.951 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 1.567 -3.353 -23.639 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 1.109 -2.517 -23.843 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 1.707 -3.318 -22.667 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 1.550 -4.234 -13.934 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 1.593 -3.427 -14.486 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 1.484 -4.952 -14.571 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -5.140 1.181 -16.748 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -4.622 1.997 -16.928 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -5.724 1.093 -17.536 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -3.041 0.364 -15.100 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -3.775 0.732 -15.642 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -2.469 -0.083 -15.753 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -8.414 3.639 -18.522 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -8.476 4.610 -18.631 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -8.549 3.498 -17.555 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 10.142 1.785 -12.766 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 9.667 1.976 -11.932 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 10.715 2.557 -12.891 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -6.933 6.101 -23.032 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -6.508 5.961 -22.171 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -6.618 6.974 -23.312 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 5.022 -6.450 -16.119 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 5.208 -5.738 -15.488 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 4.734 -5.979 -16.933 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 1.380 -7.264 -26.379 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 1.037 -6.388 -26.079 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 1.004 -7.375 -27.256 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 2.640 -3.484 -11.531 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 2.227 -3.836 -12.353 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 3.476 -3.984 -11.450 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -10.304 -7.245 -27.516 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -9.672 -6.531 -27.329 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -10.227 -7.384 -28.484 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -5.545 -5.616 -24.058 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -6.438 -5.687 -23.655 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -5.209 -6.524 -24.047 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -6.898 -2.673 -27.598 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -6.913 -1.735 -27.299 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -6.150 -3.067 -27.098 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -0.239 -1.176 -24.037 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 0.133 -0.395 -24.460 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -1.209 -1.042 -24.096 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 4.016 -3.486 -16.039 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 4.501 -3.516 -15.189 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 3.242 -2.914 -15.854 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 0.113 1.836 -15.876 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -0.230 1.703 -14.966 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 1.006 2.169 -15.746 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 3.027 -8.027 -24.369 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 2.450 -7.831 -25.143 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 3.425 -7.150 -24.145 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -2.641 -0.761 -9.508 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -1.928 -0.126 -9.702 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -3.413 -0.416 -10.002 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 7.763 1.045 -14.112 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 8.691 1.119 -13.816 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 7.571 0.088 -14.067 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 0.334 -1.947 -17.957 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -0.059 -2.630 -18.538 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -0.377 -1.281 -17.855 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -5.490 0.840 -24.313 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -5.861 0.507 -23.480 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -5.768 1.777 -24.338 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -8.311 -5.092 -28.008 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -9.225 -4.723 -28.037 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -7.756 -4.330 -27.740 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -3.094 -0.847 -23.753 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -3.886 -1.426 -23.637 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -3.466 -0.011 -24.079 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -1.412 0.154 -17.409 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -0.831 0.793 -16.937 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -2.032 0.713 -17.895 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -3.447 3.325 -16.961 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -4.062 4.086 -16.834 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -2.581 3.685 -16.753 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -5.330 -2.368 -23.471 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -6.236 -2.545 -23.129 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -5.331 -2.766 -24.363 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 0.940 -8.392 -22.599 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 1.669 -8.169 -23.217 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 1.298 -8.160 -21.714 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -1.292 -6.762 -23.302 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -0.489 -7.316 -23.368 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -1.335 -6.525 -22.352 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -4.924 -3.722 -25.869 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -5.197 -4.485 -25.307 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -3.956 -3.719 -25.807 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 3.506 -8.625 -15.273 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 4.028 -7.805 -15.404 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 3.357 -8.663 -14.300 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 1.833 -3.148 -20.897 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 1.043 -3.517 -20.444 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 2.125 -2.437 -20.313 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -7.635 -5.023 -30.707 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -7.949 -4.945 -29.785 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -7.033 -5.785 -30.683 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -6.643 3.400 -24.095 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -6.712 4.305 -23.747 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -6.938 3.483 -25.035 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -6.263 4.788 -13.848 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -5.507 4.684 -13.240 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -6.738 3.930 -13.785 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -6.122 2.950 -10.458 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -5.448 3.451 -10.963 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -6.657 3.655 -10.013 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 1.888 0.689 -12.533 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 2.163 1.542 -12.120 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 0.954 0.831 -12.773 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -0.938 1.205 -13.422 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -1.687 0.804 -13.918 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -1.370 1.668 -12.676 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 1.712 -2.023 -15.584 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 1.294 -2.035 -16.480 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 1.298 -1.273 -15.143 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -7.820 -2.080 -30.218 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -7.660 -2.940 -30.642 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -7.489 -2.200 -29.304 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 0.276 -2.330 -8.816 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 1.018 -2.049 -9.385 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 0.704 -2.865 -8.112 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 5.068 -4.654 -11.043 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 5.107 -4.289 -10.138 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 5.398 -5.570 -10.940 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 2.151 -1.111 -10.418 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 2.308 -1.984 -10.865 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 2.014 -0.487 -11.161 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 3.318 -9.237 -12.552 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 3.903 -10.002 -12.723 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 2.732 -9.541 -11.849 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -7.843 2.760 -29.114 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -7.529 2.086 -29.729 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -8.193 3.471 -29.695 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 3.844 -5.076 -21.023 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 4.148 -5.114 -20.094 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 3.111 -4.430 -21.006 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 9.028 -2.731 -12.645 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 8.280 -2.207 -13.007 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 9.797 -2.109 -12.678 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 5.509 -3.960 -13.719 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 5.221 -4.153 -12.802 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 6.374 -4.429 -13.800 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 3.563 -5.465 -23.701 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 2.991 -4.702 -23.891 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 3.801 -5.355 -22.753 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 4.878 -8.375 -20.043 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 4.644 -9.006 -20.764 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 5.256 -7.619 -20.506 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 1.491 -5.708 -18.572 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 1.581 -6.462 -19.190 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 0.911 -6.047 -17.862 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 6.986 -11.346 -11.508 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 7.721 -10.763 -11.272 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 6.635 -11.643 -10.658 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 1.461 -11.101 -22.901 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 1.179 -10.170 -22.780 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 1.041 -11.369 -23.753 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 9.379 -10.208 -13.416 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 8.999 -11.094 -13.439 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 9.112 -9.812 -14.278 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -8.746 3.533 -15.802 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -8.980 4.365 -15.381 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -8.360 2.999 -15.079 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -5.107 5.410 -16.315 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -5.758 6.026 -16.705 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -5.505 5.158 -15.459 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 8.610 -9.384 -15.941 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 9.100 -9.568 -16.747 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 7.764 -9.007 -16.258 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -8.752 6.337 -19.147 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -9.030 6.105 -20.059 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -9.183 7.203 -18.978 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -7.064 7.218 -17.178 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -7.728 7.663 -16.625 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -7.589 6.818 -17.907 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -10.985 7.007 -23.594 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -11.294 7.791 -23.080 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -11.718 6.816 -24.194 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -7.028 1.730 -21.882 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -6.823 2.317 -22.632 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -7.927 2.010 -21.600 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 2.362 -11.373 -19.087 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 3.276 -11.706 -18.937 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 2.276 -10.624 -18.469 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 3.887 -9.670 -22.275 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 3.212 -10.367 -22.333 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 3.727 -9.116 -23.065 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -10.857 -9.798 -26.665 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -11.362 -10.032 -27.468 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -10.571 -8.874 -26.825 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 3.209 -10.436 -26.609 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 2.849 -9.557 -26.436 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 3.853 -10.570 -25.907 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -7.448 3.993 -26.625 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -7.565 3.564 -27.500 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -7.994 4.792 -26.677 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -7.569 -7.574 -29.390 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -8.476 -7.796 -29.660 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -7.683 -6.940 -28.665 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -2.250 -4.463 -24.543 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -2.274 -3.831 -23.800 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -1.908 -5.289 -24.139 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -10.192 6.888 -30.041 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -9.694 6.951 -29.188 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -10.495 7.802 -30.203 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 2.106 -12.198 -13.075 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 2.044 -11.946 -12.130 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 3.047 -12.044 -13.300 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 4.737 0.241 -12.531 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 3.772 0.299 -12.683 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 5.058 1.154 -12.682 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 2.370 -0.822 -3.038 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 2.526 -0.749 -4.003 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 1.392 -0.862 -2.958 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 0.009 -2.921 -0.503 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 0.331 -3.399 0.291 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -0.942 -3.162 -0.556 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 5.858 2.712 -5.742 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 5.392 2.472 -4.910 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 5.261 2.396 -6.451 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.123 -4.863 -7.698 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -9.928 -4.822 -7.130 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -9.477 -4.985 -8.601 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -4.451 -7.312 -2.256 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -5.413 -7.419 -2.130 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -4.220 -6.570 -1.668 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -7.452 -6.139 -5.135 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -8.247 -5.976 -5.661 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -7.543 -7.076 -4.843 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -5.462 -4.684 -4.029 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -4.732 -5.195 -4.423 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -6.278 -5.113 -4.393 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 7.065 -9.300 0.276 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 6.292 -8.920 0.747 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 6.685 -10.058 -0.224 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -6.957 -6.894 -0.712 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -6.932 -5.922 -0.655 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -7.904 -7.112 -0.592 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -0.281 -0.884 -2.455 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -0.239 -1.603 -1.792 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -1.008 -1.156 -3.060 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -9.651 -6.974 0.006 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -9.539 -6.692 0.922 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -10.152 -7.819 0.075 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -7.751 4.936 -9.610 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -8.462 4.799 -8.947 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -7.962 5.806 -10.010 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 4.629 2.133 -3.339 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 4.586 2.088 -2.363 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 4.114 2.945 -3.565 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 3.434 4.404 -4.231 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 2.526 4.728 -4.281 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 3.955 5.088 -4.692 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 4.687 -3.237 1.030 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 4.598 -2.364 1.460 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 4.151 -3.152 0.215 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 1.016 -4.078 -4.208 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 0.165 -4.216 -3.752 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 1.672 -4.510 -3.628 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -5.061 -1.997 -3.669 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -5.818 -1.695 -3.150 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -5.207 -2.966 -3.767 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -4.913 -4.627 -1.373 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -5.184 -4.683 -2.316 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -5.730 -4.339 -0.909 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -1.640 -4.214 -3.316 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -1.879 -4.031 -2.386 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -1.794 -3.356 -3.773 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 0.478 1.774 -2.438 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 0.093 0.872 -2.442 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 1.429 1.623 -2.384 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 4.361 -12.408 -9.327 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 3.964 -13.203 -8.912 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 3.627 -12.017 -9.842 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 5.516 3.469 -10.519 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 5.778 3.193 -11.425 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 6.285 3.984 -10.194 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -0.762 4.042 -3.309 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -1.290 4.307 -2.552 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -0.317 3.211 -3.013 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -0.015 -8.215 1.249 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 0.116 -8.407 2.202 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -0.987 -8.181 1.143 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 3.007 -7.675 -1.881 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 2.656 -7.283 -1.057 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 3.141 -6.905 -2.472 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 1.489 -3.909 -6.853 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 2.178 -4.590 -6.846 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 1.234 -3.819 -5.904 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -2.633 -3.328 -0.872 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -3.041 -2.470 -0.706 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -3.400 -3.948 -0.940 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -12.514 -9.340 -6.091 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -12.943 -9.993 -6.682 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -12.674 -8.479 -6.539 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 2.028 -6.546 0.503 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 1.289 -7.170 0.694 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 1.658 -5.668 0.721 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -13.035 -7.310 -7.825 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -12.500 -7.141 -8.606 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -13.362 -6.411 -7.556 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -3.070 -6.158 -4.573 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -2.471 -5.524 -4.111 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -3.447 -6.698 -3.851 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -1.904 -6.129 2.847 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -1.027 -5.747 2.710 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -1.948 -6.277 3.810 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -2.327 -1.715 -4.099 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -2.253 -1.377 -5.024 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -3.288 -1.678 -3.907 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 3.601 -0.660 1.345 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 2.979 0.032 1.599 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 3.165 -1.111 0.588 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -7.422 -4.020 -0.490 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -8.283 -4.198 -0.922 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -7.611 -3.260 0.108 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -2.535 -0.973 -6.729 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -2.401 -0.807 -7.680 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -3.486 -1.212 -6.663 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 2.654 -2.206 -0.683 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 1.741 -2.567 -0.658 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 2.700 -1.740 -1.546 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -5.063 -1.879 -6.440 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -5.970 -2.104 -6.749 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -5.145 -1.842 -5.468 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 7.691 4.749 -9.310 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 8.095 5.620 -9.371 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 7.161 4.790 -8.475 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -4.175 4.216 -11.923 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -3.720 5.048 -11.745 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -3.484 3.530 -11.782 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -4.614 0.669 -11.055 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -5.217 1.336 -10.662 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -5.030 0.449 -11.913 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -7.604 -2.615 -7.155 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -8.325 -1.979 -7.090 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -8.054 -3.470 -7.344 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 3.686 -10.321 -2.258 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 3.481 -9.368 -2.111 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 2.898 -10.792 -1.909 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -2.356 2.214 -11.248 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -3.121 1.611 -11.109 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -1.658 1.858 -10.657 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 1.263 -4.095 1.642 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 1.963 -3.495 1.931 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 1.001 -4.572 2.468 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 4.378 -5.912 1.787 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 4.550 -4.963 1.624 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 3.594 -6.112 1.228 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -7.512 2.374 -13.593 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -8.031 2.175 -12.779 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.800 1.703 -13.588 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -10.534 -12.545 -4.996 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -10.044 -13.356 -5.236 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -11.072 -12.810 -4.236 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 2.853 2.869 -11.208 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 3.751 3.236 -11.080 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 2.501 2.782 -10.299 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 5.897 2.715 -13.127 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 5.679 3.302 -13.858 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 6.633 2.154 -13.479 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -5.521 0.417 -13.808 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -4.564 0.313 -13.985 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -5.931 0.325 -14.686 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -0.326 0.894 -9.819 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 0.090 0.016 -9.759 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 0.353 1.500 -9.470 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -1.276 -6.403 5.540 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -1.999 -7.062 5.682 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -1.171 -5.984 6.400 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -2.860 -7.938 1.094 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -2.655 -7.210 1.729 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -3.814 -8.119 1.237 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -3.542 -10.591 5.146 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -3.887 -11.261 5.744 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -3.778 -10.930 4.244 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 0.762 -5.564 3.851 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 0.131 -5.917 4.516 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 1.583 -6.083 4.000 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -3.358 -8.037 6.084 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -4.224 -7.944 6.487 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -3.373 -8.938 5.688 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -11.012 3.885 -4.318 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -10.214 4.393 -4.594 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -11.219 4.226 -3.444 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 4.708 1.035 -0.699 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 5.026 0.342 -1.302 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 4.610 0.583 0.154 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 8.643 -5.334 -9.650 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 9.364 -5.815 -10.120 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 8.821 -4.391 -9.842 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -8.477 -1.918 0.942 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -9.417 -2.157 0.778 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -8.528 -1.140 1.504 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 6.283 -6.855 -9.901 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 7.070 -6.271 -9.876 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 6.640 -7.744 -9.698 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 3.370 -5.371 -3.393 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 3.420 -5.464 -4.361 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 4.072 -4.719 -3.176 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -7.672 -8.781 -4.409 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -8.520 -9.120 -4.783 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -7.271 -9.555 -3.999 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -12.126 -4.623 -3.195 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -11.909 -5.241 -3.911 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -12.414 -3.803 -3.668 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 4.659 -8.652 1.409 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 3.794 -8.872 1.008 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 4.594 -7.697 1.612 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 7.422 -9.081 -8.871 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 7.087 -9.960 -8.571 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 8.084 -9.301 -9.563 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -11.394 -4.581 -6.170 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -12.265 -4.790 -6.587 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -11.521 -3.691 -5.806 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 4.278 6.563 -5.838 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 4.540 7.485 -5.765 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 3.293 6.588 -5.799 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 8.756 -10.937 1.859 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 7.965 -11.507 1.939 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 8.397 -10.069 1.615 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -8.887 5.242 -5.333 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -8.173 5.881 -5.392 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -9.090 5.020 -6.266 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 1.594 6.658 -5.441 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 1.045 7.382 -5.124 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 0.944 5.971 -5.725 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -9.300 9.845 -11.813 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -9.321 10.815 -11.676 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -10.059 9.669 -12.408 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 3.118 -6.965 3.971 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 3.734 -7.415 4.599 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 3.714 -6.537 3.320 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -12.242 5.744 -36.281 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -11.308 5.638 -36.588 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -12.413 6.705 -36.368 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -11.589 19.895 -18.276 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -11.059 19.344 -17.662 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -12.496 19.864 -17.898 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -9.498 9.594 -25.026 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -9.087 9.739 -25.898 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -10.443 9.436 -25.233 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -10.086 15.557 -22.607 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -9.311 15.716 -22.026 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -9.974 14.629 -22.893 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -8.120 14.880 -20.888 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -8.243 14.530 -19.985 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -8.256 14.105 -21.467 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -9.769 8.745 -18.275 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -10.652 9.077 -18.493 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -9.789 8.618 -17.300 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -8.484 11.234 -18.654 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -7.598 11.085 -19.004 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -8.861 10.338 -18.572 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -8.207 16.356 -17.119 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -8.398 15.491 -17.551 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -7.396 16.656 -17.544 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -4.954 8.377 -18.555 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -4.231 8.304 -17.932 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -5.719 7.998 -18.081 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -11.201 15.251 -18.433 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -11.348 15.714 -19.286 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -11.953 15.530 -17.880 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -8.922 10.146 -27.658 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -8.223 10.759 -27.993 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -9.684 10.739 -27.468 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -8.914 13.028 -22.843 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -8.393 12.897 -23.643 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -9.149 12.111 -22.556 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -9.467 10.407 -22.461 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -9.357 10.090 -23.386 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -10.267 9.948 -22.150 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -10.485 17.898 -16.808 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -11.202 17.256 -16.917 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -9.676 17.393 -17.033 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -9.425 8.304 -15.496 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -10.029 8.804 -14.912 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -9.015 7.643 -14.899 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -7.453 12.199 -28.553 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -6.813 12.663 -29.095 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -8.145 12.876 -28.362 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -9.414 5.699 -21.753 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -10.116 6.098 -22.313 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -8.610 5.770 -22.296 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -10.178 14.451 -13.449 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -9.816 15.345 -13.662 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -9.834 13.887 -14.150 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -9.217 16.703 -14.553 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -9.757 17.473 -14.786 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -8.707 16.518 -15.366 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -11.150 19.201 -20.847 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -11.366 19.509 -19.931 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -10.276 19.566 -21.016 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -12.216 12.037 -12.136 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -11.292 12.200 -11.844 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -12.192 11.139 -12.511 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -8.768 13.974 -18.354 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -9.722 14.212 -18.376 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -8.762 12.989 -18.355 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -8.729 6.381 -25.236 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -8.097 6.186 -24.526 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -9.518 6.720 -24.767 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -8.780 7.360 -27.799 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -8.705 8.332 -27.722 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -8.726 7.039 -26.874 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -11.071 9.631 -29.803 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -11.587 10.457 -29.892 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -10.268 9.902 -29.327 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -8.428 6.496 -13.627 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -8.297 6.844 -12.719 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -7.628 5.950 -13.791 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 6.295 5.099 -7.019 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 6.157 4.274 -6.512 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 5.599 5.701 -6.685 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -12.693 10.303 -6.718 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -13.649 10.541 -6.761 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -12.246 11.051 -7.121 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -8.722 13.847 -9.242 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -9.167 13.933 -8.397 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -7.893 14.361 -9.129 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -15.325 10.705 -7.089 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -15.836 11.035 -7.850 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -15.713 9.833 -6.902 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -9.635 12.596 -11.465 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -9.732 13.370 -12.060 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -9.248 12.975 -10.640 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -0.261 4.729 -5.877 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -0.415 4.482 -4.932 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -0.934 4.240 -6.359 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -6.532 15.373 -8.649 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -6.484 16.315 -8.461 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -5.636 15.135 -8.907 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 6.567 -10.831 -5.579 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 6.703 -11.083 -6.519 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 5.601 -10.665 -5.516 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 7.534 -13.263 -2.003 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 8.318 -12.718 -1.780 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 7.508 -13.936 -1.292 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 7.942 -14.254 0.565 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 8.810 -13.861 0.696 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 7.348 -13.719 1.124 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 10.481 -9.419 -7.119 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 9.980 -8.591 -7.276 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 10.153 -9.731 -6.248 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 14.846 0.986 -10.501 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 15.254 0.624 -11.296 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 15.474 0.744 -9.777 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 10.888 -0.836 -12.375 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 10.739 0.099 -12.623 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 11.514 -0.788 -11.627 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 7.972 -5.070 -13.582 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 8.608 -5.781 -13.465 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 8.447 -4.268 -13.270 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 10.618 -6.998 -10.586 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 11.196 -7.345 -11.306 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 11.217 -6.935 -9.812 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 12.607 -10.756 -10.689 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 13.274 -11.442 -10.588 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 11.869 -11.054 -10.119 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 12.075 -8.567 -12.237 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 12.383 -9.311 -11.672 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 11.813 -8.991 -13.062 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 11.408 4.214 -11.646 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 11.623 5.093 -11.974 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 12.258 3.888 -11.260 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 7.913 -3.636 -1.881 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 7.743 -3.929 -0.961 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 8.750 -3.133 -1.820 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 9.246 0.236 -2.691 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 8.713 0.868 -2.194 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 9.102 0.479 -3.616 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 15.673 -6.676 -5.214 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 14.842 -6.878 -4.727 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 16.267 -7.391 -4.972 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 12.659 -4.687 -4.949 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 12.848 -5.548 -4.523 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 13.517 -4.419 -5.333 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 14.310 -5.979 -1.450 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 13.566 -5.356 -1.277 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 15.045 -5.610 -0.956 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 12.300 -4.196 -1.032 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 11.939 -3.598 -1.701 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 11.568 -4.301 -0.387 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 8.914 -2.483 -9.967 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 9.429 -1.663 -9.832 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 8.929 -2.616 -10.944 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 10.545 -3.004 -4.651 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 10.639 -2.703 -3.725 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 11.333 -3.588 -4.795 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 5.095 -0.580 -2.933 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 5.173 0.327 -3.296 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 4.130 -0.758 -2.951 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 8.878 -7.278 -3.369 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 9.832 -7.131 -3.463 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 8.476 -6.467 -3.732 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 10.345 -2.175 -1.942 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 10.466 -2.141 -0.981 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 9.999 -1.280 -2.174 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 15.097 -4.248 -6.242 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 15.503 -5.031 -5.800 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 14.780 -4.602 -7.102 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 10.017 -4.381 0.485 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 9.077 -4.258 0.707 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 10.170 -5.345 0.621 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 14.239 -5.356 -8.598 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 14.818 -5.934 -9.108 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 13.436 -5.901 -8.437 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 12.030 -7.010 -8.181 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 11.367 -6.586 -7.614 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 12.022 -7.940 -7.899 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 13.403 -7.096 -3.742 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 13.724 -6.786 -2.861 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 12.737 -7.788 -3.524 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 8.286 -4.575 -4.393 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 8.067 -4.271 -3.485 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 9.087 -4.059 -4.630 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 7.209 -4.345 0.712 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 6.965 -5.220 1.045 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 6.395 -3.809 0.834 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 8.508 2.281 -5.882 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 8.931 3.142 -5.795 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 7.551 2.468 -5.746 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 9.480 -1.574 -6.804 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 10.169 -1.016 -7.184 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 9.936 -2.068 -6.089 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 10.416 -7.074 0.664 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 10.055 -7.724 0.031 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 11.195 -7.506 1.027 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 13.809 3.544 -10.598 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 14.110 2.609 -10.573 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 14.521 4.031 -10.172 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 8.988 -7.197 -7.647 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 8.314 -7.838 -7.957 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 8.868 -6.424 -8.237 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 12.445 -0.463 -10.119 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 12.836 -1.317 -9.807 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 13.220 0.124 -10.233 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 4.937 -0.976 -10.006 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 5.119 -0.569 -10.879 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 3.960 -0.985 -9.952 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 11.371 -8.844 -3.089 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 10.878 -9.410 -3.708 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 10.911 -8.965 -2.240 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 9.852 0.254 -9.513 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 10.789 0.007 -9.678 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 9.785 1.176 -9.851 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 16.639 0.130 -8.662 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 17.543 0.146 -8.335 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 16.203 -0.575 -8.134 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 13.712 -2.627 -9.120 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 13.867 -3.589 -9.068 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 14.260 -2.258 -8.402 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 15.303 -1.653 -7.049 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 15.373 -2.564 -6.675 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 14.976 -1.122 -6.314 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 4.950 1.984 -8.280 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 5.025 2.548 -9.082 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 5.817 1.533 -8.230 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 2.142 2.429 -8.582 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 1.900 3.027 -7.864 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 3.046 2.128 -8.349 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 7.567 0.909 -8.067 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 8.299 0.788 -8.710 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 7.996 1.355 -7.300 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 5.391 -3.410 -3.004 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 5.319 -2.435 -3.011 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 6.241 -3.581 -2.551 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 9.328 -8.890 -1.157 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 8.521 -9.013 -0.600 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 9.014 -8.345 -1.912 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 9.094 -9.733 -4.757 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 8.250 -10.205 -4.924 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 8.819 -8.892 -4.343 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 9.299 -9.464 -10.810 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 9.396 -9.681 -11.771 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 9.728 -8.584 -10.724 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 9.407 2.818 -10.327 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 10.097 3.429 -10.671 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 8.736 3.415 -9.928 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 10.427 -11.275 -9.092 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 10.531 -10.733 -8.274 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 9.997 -10.664 -9.728 1.00 0.00 WAT1 END