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: -484.934, 70.9473, 102.648, 43.5859, 555.15, -508.04, -752.878, 2.68215, 0.970407 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.136594E-03,0.445481,1.07835,41.9731,4.167903E-03,0.32806 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 29, 15 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:41 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -6.684 -11.767 10.517 1.00 43.33 ATOM 2 CB MET 1 -7.306 -13.627 9.652 1.00 53.22 ATOM 3 HB1 MET 1 -7.813 -13.890 10.570 1.00 37.06 ATOM 4 HB2 MET 1 -6.324 -14.080 9.655 1.00 25.22 ATOM 5 CG MET 1 -8.093 -14.217 8.488 1.00 53.13 ATOM 6 HG1 MET 1 -7.579 -13.982 7.567 1.00 37.06 ATOM 7 HG2 MET 1 -9.077 -13.769 8.472 1.00 12.50 ATOM 8 SD MET 1 -8.279 -16.008 8.604 1.00 30.51 ATOM 9 CE MET 1 -6.570 -16.538 8.510 1.00 50.30 ATOM 10 HE1 MET 1 -6.128 -16.164 7.599 1.00 34.12 ATOM 11 HE2 MET 1 -6.528 -17.617 8.515 1.00 21.02 ATOM 12 HE3 MET 1 -6.025 -16.153 9.360 1.00 4.43 ATOM 13 C MET 1 -6.225 -11.696 8.429 1.00 53.43 ATOM 14 O MET 1 -5.077 -11.300 8.643 1.00 34.32 ATOM 15 N MET 1 -8.480 -11.437 9.508 1.00 42.43 ATOM 16 HT1 MET 1 -9.070 -11.715 10.320 1.00 37.06 ATOM 17 HT2 MET 1 -8.967 -11.712 8.633 1.00 37.06 ATOM 18 HT3 MET 1 -8.372 -10.401 9.516 1.00 37.06 ATOM 19 CA MET 1 -7.146 -12.096 9.597 1.00 41.13 ATOM 20 N ALA 2 -6.734 -11.781 7.197 1.00 42.03 ATOM 21 HN ALA 2 -7.672 -12.045 7.082 1.00 37.06 ATOM 22 CA ALA 2 -5.934 -11.472 6.005 1.00 32.24 ATOM 23 HA ALA 2 -5.373 -10.568 6.205 1.00 43.13 ATOM 24 CB ALA 2 -4.936 -12.598 5.736 1.00 22.23 ATOM 25 HB1 ALA 2 -5.472 -13.510 5.516 1.00 35.40 ATOM 26 HB2 ALA 2 -4.317 -12.749 6.610 1.00 22.35 ATOM 27 HB3 ALA 2 -4.309 -12.336 4.895 1.00 13.43 ATOM 28 C ALA 2 -6.820 -11.238 4.767 1.00 62.02 ATOM 29 O ALA 2 -8.045 -11.378 4.826 1.00 45.52 ATOM 30 N ALA 3 -6.186 -10.879 3.652 1.00 41.32 ATOM 31 HN ALA 3 -5.212 -10.763 3.680 1.00 37.06 ATOM 32 CA ALA 3 -6.883 -10.647 2.381 1.00 74.21 ATOM 33 HA ALA 3 -7.608 -11.440 2.244 1.00 1.32 ATOM 34 CB ALA 3 -7.628 -9.314 2.420 1.00 42.44 ATOM 35 HB1 ALA 3 -8.199 -9.191 1.511 1.00 63.24 ATOM 36 HB2 ALA 3 -6.918 -8.505 2.510 1.00 15.03 ATOM 37 HB3 ALA 3 -8.296 -9.299 3.270 1.00 60.03 ATOM 38 C ALA 3 -5.888 -10.678 1.208 1.00 72.32 ATOM 39 O ALA 3 -4.706 -10.973 1.398 1.00 61.33 ATOM 40 N SER 4 -6.359 -10.382 -0.003 1.00 64.31 ATOM 41 HN SER 4 -7.316 -10.198 -0.116 1.00 37.06 ATOM 42 CA SER 4 -5.476 -10.333 -1.181 1.00 1.22 ATOM 43 HA SER 4 -4.472 -10.124 -0.833 1.00 73.32 ATOM 44 CB SER 4 -5.471 -11.682 -1.920 1.00 1.15 ATOM 45 HB1 SER 4 -5.199 -12.466 -1.228 1.00 37.06 ATOM 46 HB2 SER 4 -4.749 -11.649 -2.723 1.00 43.44 ATOM 47 OG SER 4 -6.746 -11.982 -2.469 1.00 45.34 ATOM 48 HG SER 4 -6.866 -12.941 -2.498 1.00 45.30 ATOM 49 C SER 4 -5.893 -9.218 -2.149 1.00 2.31 ATOM 50 O SER 4 -7.078 -8.897 -2.277 1.00 13.45 ATOM 51 N THR 5 -4.909 -8.622 -2.822 1.00 22.53 ATOM 52 HN THR 5 -3.985 -8.902 -2.655 1.00 37.06 ATOM 53 CA THR 5 -5.165 -7.553 -3.800 1.00 52.01 ATOM 54 HA THR 5 -6.193 -7.231 -3.679 1.00 62.41 ATOM 55 CB THR 5 -4.248 -6.324 -3.562 1.00 40.10 ATOM 56 HB THR 5 -3.218 -6.657 -3.552 1.00 1.12 ATOM 57 OG1 THR 5 -4.551 -5.720 -2.294 1.00 54.43 ATOM 58 HG1 THR 5 -3.767 -5.263 -1.961 1.00 72.31 ATOM 59 CG2 THR 5 -4.412 -5.284 -4.669 1.00 54.42 ATOM 60 HG21 THR 5 -5.438 -4.947 -4.698 1.00 41.41 ATOM 61 HG22 THR 5 -4.153 -5.725 -5.621 1.00 21.24 ATOM 62 HG23 THR 5 -3.761 -4.444 -4.475 1.00 54.42 ATOM 63 C THR 5 -4.974 -8.050 -5.239 1.00 20.32 ATOM 64 O THR 5 -3.861 -8.385 -5.657 1.00 54.03 ATOM 65 N VAL 6 -6.068 -8.104 -5.992 1.00 64.11 ATOM 66 HN VAL 6 -6.930 -7.859 -5.593 1.00 37.06 ATOM 67 CA VAL 6 -6.028 -8.519 -7.397 1.00 12.54 ATOM 68 HA VAL 6 -5.438 -9.424 -7.459 1.00 23.42 ATOM 69 CB VAL 6 -7.453 -8.833 -7.924 1.00 54.55 ATOM 70 HB VAL 6 -7.882 -9.597 -7.288 1.00 55.25 ATOM 71 CG1 VAL 6 -8.351 -7.597 -7.842 1.00 64.52 ATOM 72 HG11 VAL 6 -9.342 -7.846 -8.197 1.00 52.10 ATOM 73 HG12 VAL 6 -7.939 -6.808 -8.453 1.00 2.45 ATOM 74 HG13 VAL 6 -8.413 -7.262 -6.816 1.00 64.10 ATOM 75 CG2 VAL 6 -7.401 -9.382 -9.352 1.00 30.45 ATOM 76 HG21 VAL 6 -6.793 -10.276 -9.374 1.00 32.21 ATOM 77 HG22 VAL 6 -6.971 -8.641 -10.011 1.00 70.34 ATOM 78 HG23 VAL 6 -8.401 -9.621 -9.686 1.00 22.31 ATOM 79 C VAL 6 -5.378 -7.441 -8.285 1.00 24.44 ATOM 80 O VAL 6 -5.608 -6.245 -8.102 1.00 43.35 ATOM 81 N HIS 7 -4.555 -7.868 -9.240 1.00 63.01 ATOM 82 HN HIS 7 -4.375 -8.829 -9.317 1.00 37.06 ATOM 83 CA HIS 7 -3.924 -6.942 -10.187 1.00 12.43 ATOM 84 HA HIS 7 -3.920 -5.958 -9.737 1.00 5.14 ATOM 85 CB HIS 7 -2.475 -7.361 -10.471 1.00 14.11 ATOM 86 HB1 HIS 7 -2.033 -6.658 -11.165 1.00 37.06 ATOM 87 HB2 HIS 7 -2.471 -8.346 -10.917 1.00 11.01 ATOM 88 CG HIS 7 -1.609 -7.405 -9.247 1.00 72.25 ATOM 89 ND1 HIS 7 -1.127 -8.576 -8.703 1.00 54.33 ATOM 90 HD1 HIS 7 -1.294 -9.483 -9.048 1.00 41.22 ATOM 91 CD2 HIS 7 -1.129 -6.410 -8.462 1.00 43.32 ATOM 92 HD2 HIS 7 -1.305 -5.350 -8.587 1.00 12.54 ATOM 93 CE1 HIS 7 -0.395 -8.302 -7.645 1.00 0.15 ATOM 94 HE1 HIS 7 0.101 -9.026 -7.014 1.00 61.03 ATOM 95 NE2 HIS 7 -0.377 -6.998 -7.476 1.00 63.02 ATOM 96 HE2 HIS 7 -0.016 -6.541 -6.687 1.00 37.06 ATOM 97 C HIS 7 -4.727 -6.876 -11.496 1.00 3.40 ATOM 98 O HIS 7 -4.369 -7.506 -12.492 1.00 5.40 ATOM 99 N THR 8 -5.823 -6.121 -11.483 1.00 32.41 ATOM 100 HN THR 8 -6.021 -5.586 -10.683 1.00 37.06 ATOM 101 CA THR 8 -6.738 -6.048 -12.636 1.00 4.02 ATOM 102 HA THR 8 -6.140 -6.064 -13.537 1.00 41.32 ATOM 103 CB THR 8 -7.709 -7.264 -12.676 1.00 51.41 ATOM 104 HB THR 8 -8.272 -7.290 -11.750 1.00 44.14 ATOM 105 OG1 THR 8 -6.970 -8.490 -12.799 1.00 1.45 ATOM 106 HG1 THR 8 -6.032 -8.290 -12.910 1.00 42.11 ATOM 107 CG2 THR 8 -8.693 -7.160 -13.840 1.00 34.24 ATOM 108 HG21 THR 8 -9.286 -6.263 -13.736 1.00 42.23 ATOM 109 HG22 THR 8 -9.344 -8.023 -13.842 1.00 63.11 ATOM 110 HG23 THR 8 -8.147 -7.120 -14.773 1.00 42.34 ATOM 111 C THR 8 -7.569 -4.757 -12.616 1.00 54.55 ATOM 112 O THR 8 -8.225 -4.445 -11.623 1.00 30.14 ATOM 113 N SER 9 -7.536 -4.008 -13.717 1.00 71.43 ATOM 114 HN SER 9 -6.954 -4.281 -14.458 1.00 37.06 ATOM 115 CA SER 9 -8.357 -2.791 -13.857 1.00 51.43 ATOM 116 HA SER 9 -8.610 -2.446 -12.863 1.00 74.12 ATOM 117 CB SER 9 -7.574 -1.686 -14.580 1.00 24.41 ATOM 118 HB1 SER 9 -7.334 -2.014 -15.581 1.00 37.06 ATOM 119 HB2 SER 9 -6.660 -1.482 -14.040 1.00 21.24 ATOM 120 OG SER 9 -8.331 -0.487 -14.661 1.00 1.21 ATOM 121 HG SER 9 -8.215 0.021 -13.845 1.00 5.22 ATOM 122 C SER 9 -9.659 -3.101 -14.614 1.00 13.23 ATOM 123 O SER 9 -9.892 -4.244 -15.009 1.00 62.22 ATOM 124 N PHE 10 -10.508 -2.094 -14.821 1.00 70.32 ATOM 125 HN PHE 10 -10.240 -1.182 -14.579 1.00 37.06 ATOM 126 CA PHE 10 -11.829 -2.316 -15.433 1.00 42.03 ATOM 127 HA PHE 10 -11.795 -3.267 -15.947 1.00 34.32 ATOM 128 CB PHE 10 -12.915 -2.385 -14.346 1.00 30.34 ATOM 129 HB1 PHE 10 -13.873 -2.562 -14.814 1.00 37.06 ATOM 130 HB2 PHE 10 -12.949 -1.441 -13.820 1.00 61.11 ATOM 131 CG PHE 10 -12.684 -3.479 -13.329 1.00 52.31 ATOM 132 CD1 PHE 10 -13.065 -4.787 -13.595 1.00 73.04 ATOM 133 HD1 PHE 10 -13.543 -5.019 -14.536 1.00 44.34 ATOM 134 CD2 PHE 10 -12.070 -3.200 -12.114 1.00 52.34 ATOM 135 HD2 PHE 10 -11.770 -2.184 -11.891 1.00 72.05 ATOM 136 CE1 PHE 10 -12.840 -5.791 -12.672 1.00 35.10 ATOM 137 HE1 PHE 10 -13.146 -6.807 -12.891 1.00 33.50 ATOM 138 CE2 PHE 10 -11.846 -4.200 -11.187 1.00 73.10 ATOM 139 HE2 PHE 10 -11.367 -3.968 -10.245 1.00 51.21 ATOM 140 CZ PHE 10 -12.229 -5.497 -11.468 1.00 64.43 ATOM 141 HZ PHE 10 -12.051 -6.283 -10.746 1.00 14.24 ATOM 142 C PHE 10 -12.183 -1.224 -16.457 1.00 35.00 ATOM 143 O PHE 10 -11.921 -0.041 -16.242 1.00 53.53 ATOM 144 N ILE 11 -12.788 -1.637 -17.569 1.00 23.44 ATOM 145 HN ILE 11 -12.964 -2.595 -17.684 1.00 37.06 ATOM 146 CA ILE 11 -13.210 -0.709 -18.625 1.00 33.22 ATOM 147 HA ILE 11 -12.906 0.292 -18.343 1.00 34.12 ATOM 148 CB ILE 11 -12.547 -1.061 -19.986 1.00 34.00 ATOM 149 HB ILE 11 -12.870 -2.055 -20.265 1.00 72.34 ATOM 150 CG1 ILE 11 -11.015 -1.056 -19.861 1.00 23.55 ATOM 151 HG11 ILE 11 -10.721 -1.796 -19.131 1.00 37.06 ATOM 152 HG12 ILE 11 -10.686 -0.082 -19.527 1.00 63.40 ATOM 153 CG2 ILE 11 -13.003 -0.097 -21.083 1.00 15.50 ATOM 154 HG21 ILE 11 -12.719 0.912 -20.821 1.00 61.12 ATOM 155 HG22 ILE 11 -14.076 -0.151 -21.187 1.00 52.12 ATOM 156 HG23 ILE 11 -12.538 -0.372 -22.020 1.00 25.41 ATOM 157 CD1 ILE 11 -10.291 -1.372 -21.156 1.00 3.12 ATOM 158 HD11 ILE 11 -10.588 -2.351 -21.506 1.00 1.40 ATOM 159 HD12 ILE 11 -9.226 -1.361 -20.982 1.00 3.44 ATOM 160 HD13 ILE 11 -10.542 -0.632 -21.901 1.00 32.11 ATOM 161 C ILE 11 -14.734 -0.740 -18.799 1.00 60.22 ATOM 162 O ILE 11 -15.361 -1.783 -18.639 1.00 12.24 ATOM 163 N LEU 12 -15.324 0.407 -19.121 1.00 3.41 ATOM 164 HN LEU 12 -14.784 1.222 -19.175 1.00 37.06 ATOM 165 CA LEU 12 -16.765 0.488 -19.381 1.00 0.05 ATOM 166 HA LEU 12 -17.217 -0.437 -19.046 1.00 23.22 ATOM 167 CB LEU 12 -17.378 1.655 -18.593 1.00 53.23 ATOM 168 HB1 LEU 12 -16.894 2.567 -18.913 1.00 37.06 ATOM 169 HB2 LEU 12 -17.160 1.505 -17.544 1.00 21.13 ATOM 170 CG LEU 12 -18.900 1.837 -18.752 1.00 25.22 ATOM 171 HG LEU 12 -19.131 1.939 -19.802 1.00 34.22 ATOM 172 CD1 LEU 12 -19.657 0.616 -18.229 1.00 73.33 ATOM 173 HD11 LEU 12 -20.720 0.772 -18.348 1.00 31.25 ATOM 174 HD12 LEU 12 -19.431 0.469 -17.182 1.00 51.15 ATOM 175 HD13 LEU 12 -19.359 -0.260 -18.786 1.00 61.30 ATOM 176 CD2 LEU 12 -19.369 3.107 -18.045 1.00 14.10 ATOM 177 HD21 LEU 12 -19.133 3.046 -16.992 1.00 12.15 ATOM 178 HD22 LEU 12 -20.437 3.215 -18.168 1.00 51.02 ATOM 179 HD23 LEU 12 -18.872 3.965 -18.475 1.00 41.21 ATOM 180 C LEU 12 -17.048 0.662 -20.884 1.00 2.14 ATOM 181 O LEU 12 -16.745 1.707 -21.469 1.00 72.14 ATOM 182 N LYS 13 -17.610 -0.371 -21.511 1.00 24.33 ATOM 183 HN LYS 13 -17.747 -1.209 -21.019 1.00 37.06 ATOM 184 CA LYS 13 -18.029 -0.288 -22.916 1.00 45.11 ATOM 185 HA LYS 13 -17.534 0.571 -23.352 1.00 75.53 ATOM 186 CB LYS 13 -17.617 -1.541 -23.707 1.00 32.32 ATOM 187 HB1 LYS 13 -18.134 -1.538 -24.657 1.00 37.06 ATOM 188 HB2 LYS 13 -17.920 -2.417 -23.150 1.00 70.11 ATOM 189 CG LYS 13 -16.116 -1.643 -23.977 1.00 72.40 ATOM 190 HG1 LYS 13 -15.635 -2.021 -23.086 1.00 37.06 ATOM 191 HG2 LYS 13 -15.733 -0.657 -24.203 1.00 44.14 ATOM 192 CD LYS 13 -15.797 -2.579 -25.153 1.00 33.21 ATOM 193 HD1 LYS 13 -14.863 -2.262 -25.599 1.00 37.06 ATOM 194 HD2 LYS 13 -16.584 -2.498 -25.890 1.00 63.24 ATOM 195 CE LYS 13 -15.669 -4.044 -24.734 1.00 12.01 ATOM 196 HE1 LYS 13 -14.767 -4.159 -24.148 1.00 37.06 ATOM 197 HE2 LYS 13 -15.594 -4.652 -25.623 1.00 31.35 ATOM 198 NZ LYS 13 -16.828 -4.517 -23.930 1.00 10.34 ATOM 199 HZ1 LYS 13 -16.900 -3.961 -23.052 1.00 45.24 ATOM 200 HZ2 LYS 13 -16.696 -5.516 -23.671 1.00 41.22 ATOM 201 HZ3 LYS 13 -17.710 -4.418 -24.468 1.00 73.14 ATOM 202 C LYS 13 -19.544 -0.083 -23.034 1.00 32.41 ATOM 203 O LYS 13 -20.334 -0.927 -22.613 1.00 2.33 ATOM 204 N VAL 14 -19.939 1.044 -23.613 1.00 63.22 ATOM 205 HN VAL 14 -19.262 1.683 -23.916 1.00 37.06 ATOM 206 CA VAL 14 -21.354 1.362 -23.812 1.00 12.14 ATOM 207 HA VAL 14 -21.943 0.645 -23.254 1.00 34.03 ATOM 208 CB VAL 14 -21.689 2.778 -23.284 1.00 41.45 ATOM 209 HB VAL 14 -21.100 3.493 -23.843 1.00 15.31 ATOM 210 CG1 VAL 14 -23.165 3.110 -23.501 1.00 0.34 ATOM 211 HG11 VAL 14 -23.779 2.404 -22.959 1.00 41.12 ATOM 212 HG12 VAL 14 -23.399 3.052 -24.555 1.00 23.12 ATOM 213 HG13 VAL 14 -23.368 4.110 -23.145 1.00 24.43 ATOM 214 CG2 VAL 14 -21.312 2.904 -21.809 1.00 4.11 ATOM 215 HG21 VAL 14 -21.529 3.906 -21.465 1.00 52.21 ATOM 216 HG22 VAL 14 -20.257 2.704 -21.687 1.00 11.54 ATOM 217 HG23 VAL 14 -21.882 2.194 -21.228 1.00 53.14 ATOM 218 C VAL 14 -21.739 1.270 -25.298 1.00 12.11 ATOM 219 O VAL 14 -21.297 2.074 -26.116 1.00 54.21 ATOM 220 N LEU 15 -22.553 0.278 -25.642 1.00 52.13 ATOM 221 HN LEU 15 -22.862 -0.343 -24.950 1.00 37.06 ATOM 222 CA LEU 15 -23.019 0.098 -27.020 1.00 45.43 ATOM 223 HA LEU 15 -22.206 0.359 -27.686 1.00 3.44 ATOM 224 CB LEU 15 -23.409 -1.378 -27.249 1.00 15.12 ATOM 225 HB1 LEU 15 -24.420 -1.519 -26.892 1.00 37.06 ATOM 226 HB2 LEU 15 -22.753 -1.993 -26.648 1.00 41.34 ATOM 227 CG LEU 15 -23.339 -1.889 -28.707 1.00 62.11 ATOM 228 HG LEU 15 -22.343 -1.715 -29.091 1.00 54.45 ATOM 229 CD1 LEU 15 -23.601 -3.392 -28.760 1.00 51.14 ATOM 230 HD11 LEU 15 -24.585 -3.603 -28.364 1.00 32.03 ATOM 231 HD12 LEU 15 -22.858 -3.909 -28.170 1.00 3.31 ATOM 232 HD13 LEU 15 -23.545 -3.733 -29.784 1.00 52.40 ATOM 233 CD2 LEU 15 -24.326 -1.149 -29.610 1.00 71.22 ATOM 234 HD21 LEU 15 -24.130 -0.087 -29.564 1.00 70.20 ATOM 235 HD22 LEU 15 -25.335 -1.343 -29.280 1.00 1.12 ATOM 236 HD23 LEU 15 -24.209 -1.490 -30.629 1.00 21.12 ATOM 237 C LEU 15 -24.212 1.031 -27.294 1.00 2.50 ATOM 238 O LEU 15 -25.277 0.884 -26.687 1.00 44.20 ATOM 239 N TRP 16 -24.030 1.984 -28.206 1.00 11.34 ATOM 240 HN TRP 16 -23.189 2.007 -28.710 1.00 37.06 ATOM 241 CA TRP 16 -25.059 2.990 -28.490 1.00 60.22 ATOM 242 HA TRP 16 -25.685 3.079 -27.611 1.00 44.43 ATOM 243 CB TRP 16 -24.406 4.352 -28.774 1.00 44.44 ATOM 244 HB1 TRP 16 -23.988 4.345 -29.771 1.00 37.06 ATOM 245 HB2 TRP 16 -23.611 4.518 -28.061 1.00 43.21 ATOM 246 CG TRP 16 -25.360 5.509 -28.678 1.00 21.40 ATOM 247 CD1 TRP 16 -26.187 5.985 -29.657 1.00 43.43 ATOM 248 HD1 TRP 16 -26.254 5.571 -30.652 1.00 23.22 ATOM 249 CD2 TRP 16 -25.584 6.336 -27.530 1.00 45.35 ATOM 250 NE1 TRP 16 -26.908 7.057 -29.186 1.00 50.14 ATOM 251 HE1 TRP 16 -27.568 7.567 -29.699 1.00 51.03 ATOM 252 CE2 TRP 16 -26.555 7.291 -27.883 1.00 42.42 ATOM 253 CE3 TRP 16 -25.053 6.360 -26.237 1.00 42.43 ATOM 254 HE3 TRP 16 -24.304 5.646 -25.927 1.00 41.13 ATOM 255 CZ2 TRP 16 -27.010 8.255 -26.988 1.00 35.45 ATOM 256 HZ2 TRP 16 -27.757 8.986 -27.264 1.00 53.42 ATOM 257 CZ3 TRP 16 -25.504 7.318 -25.350 1.00 3.33 ATOM 258 HZ3 TRP 16 -25.105 7.352 -24.347 1.00 12.11 ATOM 259 CH2 TRP 16 -26.472 8.255 -25.730 1.00 3.13 ATOM 260 HH2 TRP 16 -26.795 8.987 -25.003 1.00 24.02 ATOM 261 C TRP 16 -25.937 2.565 -29.680 1.00 64.42 ATOM 262 O TRP 16 -25.430 2.200 -30.742 1.00 25.13 ATOM 263 N LEU 17 -27.253 2.622 -29.493 1.00 31.34 ATOM 264 HN LEU 17 -27.594 2.943 -28.631 1.00 37.06 ATOM 265 CA LEU 17 -28.210 2.236 -30.536 1.00 5.55 ATOM 266 HA LEU 17 -27.657 2.018 -31.439 1.00 0.05 ATOM 267 CB LEU 17 -28.980 0.977 -30.110 1.00 2.03 ATOM 268 HB1 LEU 17 -29.751 0.787 -30.844 1.00 37.06 ATOM 269 HB2 LEU 17 -29.457 1.181 -29.161 1.00 51.12 ATOM 270 CG LEU 17 -28.137 -0.298 -29.960 1.00 25.43 ATOM 271 HG LEU 17 -27.337 -0.111 -29.257 1.00 54.33 ATOM 272 CD1 LEU 17 -28.988 -1.437 -29.409 1.00 34.31 ATOM 273 HD11 LEU 17 -29.817 -1.625 -30.077 1.00 14.12 ATOM 274 HD12 LEU 17 -29.366 -1.164 -28.435 1.00 14.23 ATOM 275 HD13 LEU 17 -28.385 -2.330 -29.322 1.00 23.51 ATOM 276 CD2 LEU 17 -27.509 -0.690 -31.297 1.00 31.33 ATOM 277 HD21 LEU 17 -28.287 -0.899 -32.017 1.00 53.34 ATOM 278 HD22 LEU 17 -26.896 -1.570 -31.164 1.00 43.53 ATOM 279 HD23 LEU 17 -26.894 0.122 -31.659 1.00 33.45 ATOM 280 C LEU 17 -29.202 3.369 -30.832 1.00 54.23 ATOM 281 O LEU 17 -29.294 4.344 -30.084 1.00 43.11 ATOM 282 N ASP 18 -29.952 3.227 -31.922 1.00 45.24 ATOM 283 HN ASP 18 -29.820 2.439 -32.492 1.00 37.06 ATOM 284 CA ASP 18 -30.958 4.220 -32.305 1.00 22.01 ATOM 285 HA ASP 18 -30.452 5.165 -32.446 1.00 21.30 ATOM 286 CB ASP 18 -31.612 3.807 -33.627 1.00 1.40 ATOM 287 HB1 ASP 18 -32.254 4.606 -33.973 1.00 37.06 ATOM 288 HB2 ASP 18 -32.206 2.917 -33.466 1.00 71.20 ATOM 289 CG ASP 18 -30.574 3.514 -34.699 1.00 11.11 ATOM 290 OD1 ASP 18 -30.178 4.447 -35.429 1.00 40.20 ATOM 291 OD2 ASP 18 -30.130 2.349 -34.801 1.00 22.52 ATOM 292 C ASP 18 -32.020 4.389 -31.201 1.00 1.11 ATOM 293 O ASP 18 -32.940 3.577 -31.076 1.00 72.52 ATOM 294 N GLN 19 -31.851 5.434 -30.385 1.00 21.32 ATOM 295 HN GLN 19 -31.097 6.037 -30.552 1.00 37.06 ATOM 296 CA GLN 19 -32.739 5.717 -29.246 1.00 21.33 ATOM 297 HA GLN 19 -32.374 6.623 -28.782 1.00 54.34 ATOM 298 CB GLN 19 -34.183 5.965 -29.722 1.00 1.12 ATOM 299 HB1 GLN 19 -34.813 6.129 -28.858 1.00 37.06 ATOM 300 HB2 GLN 19 -34.533 5.087 -30.248 1.00 0.21 ATOM 301 CG GLN 19 -34.320 7.168 -30.652 1.00 71.54 ATOM 302 HG1 GLN 19 -33.823 6.945 -31.587 1.00 37.06 ATOM 303 HG2 GLN 19 -33.841 8.020 -30.191 1.00 21.40 ATOM 304 CD GLN 19 -35.767 7.530 -30.945 1.00 73.23 ATOM 305 OE1 GLN 19 -36.377 8.322 -30.232 1.00 14.24 ATOM 306 NE2 GLN 19 -36.327 6.961 -31.992 1.00 31.32 ATOM 307 HE21 GLN 19 -35.792 6.339 -32.522 1.00 32.23 ATOM 308 HE22 GLN 19 -37.257 7.188 -32.196 1.00 0.14 ATOM 309 C GLN 19 -32.699 4.598 -28.186 1.00 45.20 ATOM 310 O GLN 19 -33.621 4.457 -27.383 1.00 62.21 ATOM 311 N ASN 20 -31.613 3.821 -28.183 1.00 13.10 ATOM 312 HN ASN 20 -30.937 3.960 -28.881 1.00 37.06 ATOM 313 CA ASN 20 -31.370 2.773 -27.171 1.00 12.31 ATOM 314 HA ASN 20 -32.019 2.969 -26.328 1.00 22.11 ATOM 315 CB ASN 20 -31.679 1.368 -27.732 1.00 42.05 ATOM 316 HB1 ASN 20 -30.976 0.659 -27.316 1.00 37.06 ATOM 317 HB2 ASN 20 -31.559 1.387 -28.805 1.00 75.35 ATOM 318 CG ASN 20 -33.089 0.874 -27.428 1.00 53.25 ATOM 319 OD1 ASN 20 -33.300 -0.312 -27.199 1.00 11.12 ATOM 320 ND2 ASN 20 -34.065 1.753 -27.446 1.00 15.34 ATOM 321 HD21 ASN 20 -33.852 2.678 -27.653 1.00 60.23 ATOM 322 HD22 ASN 20 -34.970 1.437 -27.245 1.00 70.31 ATOM 323 C ASN 20 -29.908 2.823 -26.684 1.00 51.32 ATOM 324 O ASN 20 -29.054 3.436 -27.325 1.00 63.15 ATOM 325 N VAL 21 -29.625 2.163 -25.564 1.00 51.41 ATOM 326 HN VAL 21 -30.337 1.669 -25.106 1.00 37.06 ATOM 327 CA VAL 21 -28.276 2.169 -24.983 1.00 31.31 ATOM 328 HA VAL 21 -27.564 2.248 -25.795 1.00 74.53 ATOM 329 CB VAL 21 -28.092 3.401 -24.057 1.00 44.54 ATOM 330 HB VAL 21 -28.181 4.292 -24.665 1.00 32.50 ATOM 331 CG1 VAL 21 -29.186 3.448 -22.999 1.00 61.11 ATOM 332 HG11 VAL 21 -29.131 2.563 -22.382 1.00 23.21 ATOM 333 HG12 VAL 21 -30.152 3.491 -23.480 1.00 61.44 ATOM 334 HG13 VAL 21 -29.054 4.326 -22.382 1.00 23.01 ATOM 335 CG2 VAL 21 -26.715 3.413 -23.401 1.00 14.34 ATOM 336 HG21 VAL 21 -25.949 3.429 -24.163 1.00 20.43 ATOM 337 HG22 VAL 21 -26.599 2.530 -22.790 1.00 63.40 ATOM 338 HG23 VAL 21 -26.622 4.294 -22.779 1.00 43.30 ATOM 339 C VAL 21 -27.989 0.873 -24.201 1.00 13.05 ATOM 340 O VAL 21 -28.853 0.358 -23.491 1.00 70.32 ATOM 341 N ALA 22 -26.776 0.342 -24.350 1.00 65.01 ATOM 342 HN ALA 22 -26.139 0.776 -24.958 1.00 37.06 ATOM 343 CA ALA 22 -26.362 -0.876 -23.641 1.00 3.12 ATOM 344 HA ALA 22 -27.105 -1.095 -22.885 1.00 34.22 ATOM 345 CB ALA 22 -26.309 -2.053 -24.607 1.00 75.43 ATOM 346 HB1 ALA 22 -25.577 -1.855 -25.376 1.00 0.32 ATOM 347 HB2 ALA 22 -27.280 -2.191 -25.063 1.00 24.52 ATOM 348 HB3 ALA 22 -26.034 -2.950 -24.071 1.00 72.33 ATOM 349 C ALA 22 -24.999 -0.689 -22.955 1.00 11.41 ATOM 350 O ALA 22 -24.086 -0.103 -23.529 1.00 35.31 ATOM 351 N ILE 23 -24.861 -1.195 -21.730 1.00 55.21 ATOM 352 HN ILE 23 -25.611 -1.690 -21.332 1.00 37.06 ATOM 353 CA ILE 23 -23.616 -1.032 -20.957 1.00 51.02 ATOM 354 HA ILE 23 -22.924 -0.455 -21.558 1.00 21.23 ATOM 355 CB ILE 23 -23.867 -0.250 -19.639 1.00 72.33 ATOM 356 HB ILE 23 -22.930 -0.189 -19.102 1.00 32.13 ATOM 357 CG1 ILE 23 -24.901 -0.979 -18.761 1.00 20.41 ATOM 358 HG11 ILE 23 -24.537 -1.973 -18.536 1.00 37.06 ATOM 359 HG12 ILE 23 -25.833 -1.059 -19.301 1.00 35.34 ATOM 360 CG2 ILE 23 -24.325 1.178 -19.943 1.00 25.13 ATOM 361 HG21 ILE 23 -23.570 1.683 -20.528 1.00 13.03 ATOM 362 HG22 ILE 23 -24.479 1.714 -19.018 1.00 34.33 ATOM 363 HG23 ILE 23 -25.252 1.150 -20.500 1.00 42.42 ATOM 364 CD1 ILE 23 -25.190 -0.284 -17.445 1.00 4.34 ATOM 365 HD11 ILE 23 -25.920 -0.853 -16.891 1.00 50.22 ATOM 366 HD12 ILE 23 -25.577 0.707 -17.638 1.00 25.11 ATOM 367 HD13 ILE 23 -24.279 -0.208 -16.868 1.00 21.43 ATOM 368 C ILE 23 -22.954 -2.381 -20.623 1.00 44.21 ATOM 369 O ILE 23 -23.637 -3.383 -20.404 1.00 55.24 ATOM 370 N ALA 24 -21.618 -2.389 -20.599 1.00 22.42 ATOM 371 HN ALA 24 -21.138 -1.570 -20.842 1.00 37.06 ATOM 372 CA ALA 24 -20.839 -3.583 -20.239 1.00 62.51 ATOM 373 HA ALA 24 -21.418 -4.163 -19.533 1.00 13.04 ATOM 374 CB ALA 24 -20.586 -4.443 -21.470 1.00 4.40 ATOM 375 HB1 ALA 24 -20.107 -5.365 -21.174 1.00 63.45 ATOM 376 HB2 ALA 24 -19.944 -3.909 -22.157 1.00 73.22 ATOM 377 HB3 ALA 24 -21.526 -4.666 -21.956 1.00 21.24 ATOM 378 C ALA 24 -19.496 -3.203 -19.591 1.00 54.04 ATOM 379 O ALA 24 -18.921 -2.161 -19.901 1.00 14.35 ATOM 380 N VAL 25 -19.007 -4.053 -18.692 1.00 62.12 ATOM 381 HN VAL 25 -19.539 -4.837 -18.447 1.00 37.06 ATOM 382 CA VAL 25 -17.697 -3.851 -18.052 1.00 3.45 ATOM 383 HA VAL 25 -17.295 -2.910 -18.408 1.00 32.10 ATOM 384 CB VAL 25 -17.825 -3.766 -16.505 1.00 61.52 ATOM 385 HB VAL 25 -18.277 -4.684 -16.152 1.00 11.24 ATOM 386 CG1 VAL 25 -16.452 -3.629 -15.844 1.00 11.52 ATOM 387 HG11 VAL 25 -15.842 -4.485 -16.096 1.00 54.34 ATOM 388 HG12 VAL 25 -16.572 -3.580 -14.771 1.00 55.02 ATOM 389 HG13 VAL 25 -15.970 -2.727 -16.193 1.00 24.22 ATOM 390 CG2 VAL 25 -18.734 -2.604 -16.102 1.00 74.05 ATOM 391 HG21 VAL 25 -18.297 -1.671 -16.430 1.00 0.34 ATOM 392 HG22 VAL 25 -18.848 -2.589 -15.028 1.00 61.42 ATOM 393 HG23 VAL 25 -19.706 -2.727 -16.562 1.00 1.25 ATOM 394 C VAL 25 -16.711 -4.975 -18.422 1.00 34.45 ATOM 395 O VAL 25 -17.063 -6.158 -18.410 1.00 62.14 ATOM 396 N ASP 26 -15.478 -4.591 -18.751 1.00 22.13 ATOM 397 HN ASP 26 -15.268 -3.634 -18.744 1.00 37.06 ATOM 398 CA ASP 26 -14.426 -5.538 -19.135 1.00 42.41 ATOM 399 HA ASP 26 -14.844 -6.536 -19.117 1.00 45.31 ATOM 400 CB ASP 26 -13.948 -5.221 -20.555 1.00 42.31 ATOM 401 HB1 ASP 26 -13.266 -5.993 -20.886 1.00 37.06 ATOM 402 HB2 ASP 26 -13.432 -4.269 -20.552 1.00 4.25 ATOM 403 CG ASP 26 -15.105 -5.138 -21.534 1.00 61.53 ATOM 404 OD1 ASP 26 -15.380 -6.135 -22.237 1.00 30.43 ATOM 405 OD2 ASP 26 -15.751 -4.070 -21.605 1.00 42.42 ATOM 406 C ASP 26 -13.245 -5.475 -18.152 1.00 54.10 ATOM 407 O ASP 26 -13.076 -4.488 -17.432 1.00 32.01 ATOM 408 N GLN 27 -12.423 -6.521 -18.131 1.00 60.33 ATOM 409 HN GLN 27 -12.576 -7.261 -18.757 1.00 37.06 ATOM 410 CA GLN 27 -11.286 -6.592 -17.201 1.00 43.43 ATOM 411 HA GLN 27 -11.402 -5.797 -16.475 1.00 2.40 ATOM 412 CB GLN 27 -11.292 -7.940 -16.457 1.00 60.13 ATOM 413 HB1 GLN 27 -12.225 -8.035 -15.919 1.00 37.06 ATOM 414 HB2 GLN 27 -10.478 -7.947 -15.745 1.00 52.51 ATOM 415 CG GLN 27 -11.139 -9.155 -17.369 1.00 2.13 ATOM 416 HG1 GLN 27 -10.174 -9.105 -17.857 1.00 37.06 ATOM 417 HG2 GLN 27 -11.917 -9.125 -18.118 1.00 40.01 ATOM 418 CD GLN 27 -11.239 -10.477 -16.624 1.00 62.42 ATOM 419 OE1 GLN 27 -12.317 -11.042 -16.481 1.00 3.21 ATOM 420 NE2 GLN 27 -10.120 -10.981 -16.143 1.00 72.41 ATOM 421 HE21 GLN 27 -9.288 -10.488 -16.288 1.00 75.01 ATOM 422 HE22 GLN 27 -10.172 -11.831 -15.660 1.00 42.04 ATOM 423 C GLN 27 -9.944 -6.398 -17.927 1.00 21.51 ATOM 424 O GLN 27 -9.699 -6.989 -18.984 1.00 1.44 ATOM 425 N ILE 28 -9.076 -5.565 -17.353 1.00 32.44 ATOM 426 HN ILE 28 -9.345 -5.087 -16.540 1.00 37.06 ATOM 427 CA ILE 28 -7.730 -5.346 -17.894 1.00 34.34 ATOM 428 HA ILE 28 -7.756 -5.562 -18.956 1.00 11.15 ATOM 429 CB ILE 28 -7.257 -3.880 -17.709 1.00 1.43 ATOM 430 HB ILE 28 -7.226 -3.668 -16.649 1.00 51.01 ATOM 431 CG1 ILE 28 -8.238 -2.908 -18.382 1.00 72.41 ATOM 432 HG11 ILE 28 -9.217 -3.035 -17.941 1.00 37.06 ATOM 433 HG12 ILE 28 -8.295 -3.132 -19.438 1.00 44.25 ATOM 434 CG2 ILE 28 -5.841 -3.695 -18.267 1.00 64.41 ATOM 435 HG21 ILE 28 -5.515 -2.679 -18.099 1.00 15.45 ATOM 436 HG22 ILE 28 -5.838 -3.902 -19.328 1.00 72.51 ATOM 437 HG23 ILE 28 -5.163 -4.374 -17.768 1.00 0.44 ATOM 438 CD1 ILE 28 -7.851 -1.448 -18.240 1.00 42.43 ATOM 439 HD11 ILE 28 -8.582 -0.833 -18.743 1.00 1.14 ATOM 440 HD12 ILE 28 -6.880 -1.286 -18.682 1.00 24.54 ATOM 441 HD13 ILE 28 -7.819 -1.184 -17.193 1.00 73.13 ATOM 442 C ILE 28 -6.719 -6.284 -17.224 1.00 43.12 ATOM 443 O ILE 28 -6.350 -6.094 -16.063 1.00 13.53 ATOM 444 N VAL 29 -6.278 -7.289 -17.968 1.00 52.12 ATOM 445 HN VAL 29 -6.578 -7.350 -18.899 1.00 37.06 ATOM 446 CA VAL 29 -5.346 -8.298 -17.458 1.00 22.45 ATOM 447 HA VAL 29 -5.413 -8.311 -16.377 1.00 3.45 ATOM 448 CB VAL 29 -5.730 -9.709 -17.992 1.00 52.32 ATOM 449 HB VAL 29 -5.522 -9.734 -19.054 1.00 4.22 ATOM 450 CG1 VAL 29 -4.899 -10.804 -17.326 1.00 34.02 ATOM 451 HG11 VAL 29 -5.182 -11.767 -17.726 1.00 54.43 ATOM 452 HG12 VAL 29 -5.075 -10.792 -16.259 1.00 32.32 ATOM 453 HG13 VAL 29 -3.850 -10.629 -17.519 1.00 33.05 ATOM 454 CG2 VAL 29 -7.225 -9.971 -17.798 1.00 73.42 ATOM 455 HG21 VAL 29 -7.470 -10.962 -18.155 1.00 51.35 ATOM 456 HG22 VAL 29 -7.796 -9.240 -18.352 1.00 65.33 ATOM 457 HG23 VAL 29 -7.472 -9.898 -16.748 1.00 53.35 ATOM 458 C VAL 29 -3.899 -7.967 -17.870 1.00 34.33 ATOM 459 O VAL 29 -3.673 -7.165 -18.777 1.00 35.52 ATOM 460 N GLY 30 -2.919 -8.586 -17.208 1.00 14.31 ATOM 461 HN GLY 30 -3.144 -9.150 -16.436 1.00 37.06 ATOM 462 CA GLY 30 -1.515 -8.412 -17.590 1.00 3.12 ATOM 463 HA1 GLY 30 -0.899 -8.963 -16.893 1.00 37.06 ATOM 464 HA2 GLY 30 -1.265 -7.364 -17.516 1.00 75.30 ATOM 465 C GLY 30 -1.199 -8.895 -19.013 1.00 64.32 ATOM 466 O GLY 30 -0.062 -8.789 -19.475 1.00 71.32 ATOM 467 N LYS 31 -2.204 -9.444 -19.698 1.00 72.20 ATOM 468 HN LYS 31 -3.061 -9.576 -19.246 1.00 37.06 ATOM 469 CA LYS 31 -2.068 -9.873 -21.097 1.00 11.02 ATOM 470 HA LYS 31 -1.032 -9.764 -21.385 1.00 22.21 ATOM 471 CB LYS 31 -2.467 -11.352 -21.224 1.00 41.22 ATOM 472 HB1 LYS 31 -2.381 -11.649 -22.260 1.00 37.06 ATOM 473 HB2 LYS 31 -3.498 -11.463 -20.913 1.00 51.31 ATOM 474 CG LYS 31 -1.607 -12.295 -20.384 1.00 0.30 ATOM 475 HG1 LYS 31 -1.641 -11.975 -19.351 1.00 37.06 ATOM 476 HG2 LYS 31 -0.588 -12.249 -20.741 1.00 72.31 ATOM 477 CD LYS 31 -2.094 -13.741 -20.471 1.00 11.32 ATOM 478 HD1 LYS 31 -1.408 -14.373 -19.924 1.00 37.06 ATOM 479 HD2 LYS 31 -2.110 -14.043 -21.508 1.00 61.30 ATOM 480 CE LYS 31 -3.493 -13.908 -19.887 1.00 11.53 ATOM 481 HE1 LYS 31 -4.162 -13.222 -20.384 1.00 37.06 ATOM 482 HE2 LYS 31 -3.462 -13.673 -18.832 1.00 52.32 ATOM 483 NZ LYS 31 -4.012 -15.292 -20.056 1.00 23.20 ATOM 484 HZ1 LYS 31 -4.151 -15.504 -21.065 1.00 10.23 ATOM 485 HZ2 LYS 31 -4.924 -15.395 -19.566 1.00 43.41 ATOM 486 HZ3 LYS 31 -3.339 -15.979 -19.661 1.00 50.25 ATOM 487 C LYS 31 -2.935 -9.007 -22.034 1.00 34.44 ATOM 488 O LYS 31 -3.115 -9.330 -23.211 1.00 42.33 ATOM 489 N GLY 32 -3.464 -7.903 -21.507 1.00 15.53 ATOM 490 HN GLY 32 -3.282 -7.688 -20.570 1.00 37.06 ATOM 491 CA GLY 32 -4.300 -7.004 -22.298 1.00 14.44 ATOM 492 HA1 GLY 32 -4.378 -7.390 -23.305 1.00 37.06 ATOM 493 HA2 GLY 32 -3.824 -6.035 -22.337 1.00 2.40 ATOM 494 C GLY 32 -5.706 -6.836 -21.722 1.00 54.31 ATOM 495 O GLY 32 -5.871 -6.430 -20.571 1.00 55.33 ATOM 496 N THR 33 -6.722 -7.162 -22.518 1.00 71.25 ATOM 497 HN THR 33 -6.527 -7.534 -23.403 1.00 37.06 ATOM 498 CA THR 33 -8.128 -6.998 -22.105 1.00 60.45 ATOM 499 HA THR 33 -8.141 -6.794 -21.041 1.00 52.24 ATOM 500 CB THR 33 -8.810 -5.808 -22.830 1.00 4.34 ATOM 501 HB THR 33 -9.866 -5.827 -22.598 1.00 64.40 ATOM 502 OG1 THR 33 -8.652 -5.931 -24.254 1.00 73.22 ATOM 503 HG1 THR 33 -9.146 -5.227 -24.694 1.00 24.23 ATOM 504 CG2 THR 33 -8.241 -4.472 -22.363 1.00 1.32 ATOM 505 HG21 THR 33 -7.184 -4.429 -22.587 1.00 75.01 ATOM 506 HG22 THR 33 -8.386 -4.372 -21.296 1.00 3.11 ATOM 507 HG23 THR 33 -8.750 -3.666 -22.870 1.00 70.42 ATOM 508 C THR 33 -8.954 -8.263 -22.366 1.00 33.40 ATOM 509 O THR 33 -8.679 -9.024 -23.299 1.00 43.14 ATOM 510 N SER 34 -9.972 -8.477 -21.532 1.00 32.53 ATOM 511 HN SER 34 -10.123 -7.843 -20.797 1.00 37.06 ATOM 512 CA SER 34 -10.871 -9.633 -21.668 1.00 34.32 ATOM 513 HA SER 34 -10.915 -9.900 -22.715 1.00 23.22 ATOM 514 CB SER 34 -10.324 -10.828 -20.869 1.00 63.25 ATOM 515 HB1 SER 34 -10.279 -10.567 -19.821 1.00 37.06 ATOM 516 HB2 SER 34 -9.330 -11.064 -21.219 1.00 31.02 ATOM 517 OG SER 34 -11.140 -11.982 -21.017 1.00 73.12 ATOM 518 HG SER 34 -10.911 -12.622 -20.328 1.00 50.42 ATOM 519 C SER 34 -12.291 -9.281 -21.183 1.00 21.14 ATOM 520 O SER 34 -12.454 -8.617 -20.156 1.00 52.13 ATOM 521 N PRO 35 -13.340 -9.704 -21.919 1.00 44.02 ATOM 522 CA PRO 35 -14.742 -9.408 -21.555 1.00 64.33 ATOM 523 HA PRO 35 -14.934 -8.343 -21.580 1.00 43.54 ATOM 524 CB PRO 35 -15.557 -10.099 -22.662 1.00 24.10 ATOM 525 HB1 PRO 35 -16.392 -9.474 -22.943 1.00 37.06 ATOM 526 HB2 PRO 35 -15.924 -11.055 -22.307 1.00 34.25 ATOM 527 CG PRO 35 -14.600 -10.270 -23.795 1.00 24.23 ATOM 528 HG1 PRO 35 -14.585 -9.377 -24.404 1.00 37.06 ATOM 529 HG2 PRO 35 -14.880 -11.127 -24.390 1.00 35.11 ATOM 530 CD PRO 35 -13.254 -10.492 -23.161 1.00 51.44 ATOM 531 HD1 PRO 35 -12.467 -10.119 -23.802 1.00 37.06 ATOM 532 HD2 PRO 35 -13.102 -11.540 -22.945 1.00 44.02 ATOM 533 C PRO 35 -15.136 -9.958 -20.170 1.00 11.34 ATOM 534 O PRO 35 -15.013 -11.158 -19.905 1.00 44.44 ATOM 535 N LEU 36 -15.613 -9.078 -19.288 1.00 63.40 ATOM 536 HN LEU 36 -15.711 -8.138 -19.557 1.00 37.06 ATOM 537 CA LEU 36 -15.988 -9.477 -17.926 1.00 71.31 ATOM 538 HA LEU 36 -15.502 -10.418 -17.712 1.00 13.31 ATOM 539 CB LEU 36 -15.494 -8.428 -16.918 1.00 64.04 ATOM 540 HB1 LEU 36 -15.998 -7.495 -17.129 1.00 37.06 ATOM 541 HB2 LEU 36 -14.433 -8.284 -17.073 1.00 3.13 ATOM 542 CG LEU 36 -15.724 -8.772 -15.438 1.00 51.34 ATOM 543 HG LEU 36 -16.771 -8.997 -15.288 1.00 11.13 ATOM 544 CD1 LEU 36 -14.923 -10.011 -15.039 1.00 45.44 ATOM 545 HD11 LEU 36 -15.248 -10.855 -15.631 1.00 35.35 ATOM 546 HD12 LEU 36 -15.084 -10.225 -13.992 1.00 23.21 ATOM 547 HD13 LEU 36 -13.871 -9.835 -15.212 1.00 3.32 ATOM 548 CD2 LEU 36 -15.369 -7.584 -14.546 1.00 55.50 ATOM 549 HD21 LEU 36 -14.325 -7.331 -14.674 1.00 63.44 ATOM 550 HD22 LEU 36 -15.553 -7.840 -13.513 1.00 43.15 ATOM 551 HD23 LEU 36 -15.980 -6.735 -14.818 1.00 10.11 ATOM 552 C LEU 36 -17.510 -9.669 -17.786 1.00 22.01 ATOM 553 O LEU 36 -17.970 -10.571 -17.083 1.00 54.55 ATOM 554 N THR 37 -18.286 -8.811 -18.452 1.00 73.42 ATOM 555 HN THR 37 -17.863 -8.124 -19.012 1.00 37.06 ATOM 556 CA THR 37 -19.760 -8.863 -18.382 1.00 61.32 ATOM 557 HA THR 37 -20.047 -9.852 -18.048 1.00 74.34 ATOM 558 CB THR 37 -20.317 -7.828 -17.371 1.00 41.44 ATOM 559 HB THR 37 -21.397 -7.815 -17.446 1.00 71.51 ATOM 560 OG1 THR 37 -19.815 -6.522 -17.684 1.00 22.41 ATOM 561 HG1 THR 37 -18.870 -6.582 -17.873 1.00 52.42 ATOM 562 CG2 THR 37 -19.935 -8.189 -15.939 1.00 11.31 ATOM 563 HG21 THR 37 -20.330 -7.446 -15.261 1.00 53.25 ATOM 564 HG22 THR 37 -18.858 -8.221 -15.849 1.00 35.20 ATOM 565 HG23 THR 37 -20.345 -9.157 -15.689 1.00 61.25 ATOM 566 C THR 37 -20.403 -8.598 -19.752 1.00 14.22 ATOM 567 O THR 37 -19.763 -8.057 -20.654 1.00 74.20 ATOM 568 N SER 38 -21.671 -8.989 -19.900 1.00 64.33 ATOM 569 HN SER 38 -22.118 -9.439 -19.153 1.00 37.06 ATOM 570 CA SER 38 -22.417 -8.775 -21.154 1.00 62.25 ATOM 571 HA SER 38 -21.720 -8.880 -21.973 1.00 63.51 ATOM 572 CB SER 38 -23.518 -9.836 -21.309 1.00 4.20 ATOM 573 HB1 SER 38 -24.217 -9.751 -20.489 1.00 37.06 ATOM 574 HB2 SER 38 -23.072 -10.821 -21.298 1.00 20.14 ATOM 575 OG SER 38 -24.227 -9.674 -22.531 1.00 65.41 ATOM 576 HG SER 38 -24.563 -10.529 -22.820 1.00 24.33 ATOM 577 C SER 38 -23.042 -7.370 -21.222 1.00 44.05 ATOM 578 O SER 38 -22.966 -6.594 -20.271 1.00 44.35 ATOM 579 N TYR 39 -23.673 -7.056 -22.354 1.00 13.13 ATOM 580 HN TYR 39 -23.745 -7.734 -23.058 1.00 37.06 ATOM 581 CA TYR 39 -24.284 -5.736 -22.568 1.00 74.43 ATOM 582 HA TYR 39 -23.739 -5.020 -21.968 1.00 55.22 ATOM 583 CB TYR 39 -24.170 -5.322 -24.045 1.00 30.13 ATOM 584 HB1 TYR 39 -24.736 -4.412 -24.201 1.00 37.06 ATOM 585 HB2 TYR 39 -24.585 -6.104 -24.664 1.00 4.01 ATOM 586 CG TYR 39 -22.743 -5.069 -24.501 1.00 32.22 ATOM 587 CD1 TYR 39 -21.930 -6.112 -24.935 1.00 51.14 ATOM 588 HD1 TYR 39 -22.328 -7.117 -24.949 1.00 60.24 ATOM 589 CD2 TYR 39 -22.208 -3.783 -24.492 1.00 21.42 ATOM 590 HD2 TYR 39 -22.823 -2.958 -24.157 1.00 43.12 ATOM 591 CE1 TYR 39 -20.629 -5.882 -25.343 1.00 54.04 ATOM 592 HE1 TYR 39 -20.016 -6.706 -25.676 1.00 60.33 ATOM 593 CE2 TYR 39 -20.907 -3.546 -24.901 1.00 75.45 ATOM 594 HE2 TYR 39 -20.512 -2.541 -24.887 1.00 54.23 ATOM 595 CZ TYR 39 -20.123 -4.599 -25.326 1.00 53.34 ATOM 596 OH TYR 39 -18.828 -4.371 -25.730 1.00 61.30 ATOM 597 HH TYR 39 -18.697 -4.755 -26.607 1.00 25.22 ATOM 598 C TYR 39 -25.758 -5.716 -22.136 1.00 34.14 ATOM 599 O TYR 39 -26.595 -6.417 -22.711 1.00 22.13 ATOM 600 N PHE 40 -26.065 -4.908 -21.122 1.00 33.43 ATOM 601 HN PHE 40 -25.346 -4.397 -20.690 1.00 37.06 ATOM 602 CA PHE 40 -27.442 -4.765 -20.626 1.00 35.42 ATOM 603 HA PHE 40 -27.990 -5.655 -20.906 1.00 65.33 ATOM 604 CB PHE 40 -27.433 -4.649 -19.095 1.00 41.35 ATOM 605 HB1 PHE 40 -28.450 -4.685 -18.730 1.00 37.06 ATOM 606 HB2 PHE 40 -26.988 -3.705 -18.811 1.00 14.42 ATOM 607 CG PHE 40 -26.657 -5.754 -18.422 1.00 23.35 ATOM 608 CD1 PHE 40 -27.169 -7.041 -18.358 1.00 54.51 ATOM 609 HD1 PHE 40 -28.137 -7.250 -18.792 1.00 73.11 ATOM 610 CD2 PHE 40 -25.413 -5.506 -17.860 1.00 4.33 ATOM 611 HD2 PHE 40 -25.002 -4.507 -17.900 1.00 63.33 ATOM 612 CE1 PHE 40 -26.457 -8.057 -17.750 1.00 33.30 ATOM 613 HE1 PHE 40 -26.868 -9.055 -17.708 1.00 14.22 ATOM 614 CE2 PHE 40 -24.698 -6.519 -17.250 1.00 22.23 ATOM 615 HE2 PHE 40 -23.731 -6.312 -16.816 1.00 64.33 ATOM 616 CZ PHE 40 -25.220 -7.796 -17.195 1.00 61.13 ATOM 617 HZ PHE 40 -24.662 -8.589 -16.719 1.00 71.11 ATOM 618 C PHE 40 -28.129 -3.540 -21.260 1.00 24.13 ATOM 619 O PHE 40 -27.564 -2.445 -21.281 1.00 13.41 ATOM 620 N PHE 41 -29.353 -3.728 -21.764 1.00 32.10 ATOM 621 HN PHE 41 -29.802 -4.587 -21.612 1.00 37.06 ATOM 622 CA PHE 41 -30.048 -2.686 -22.537 1.00 20.31 ATOM 623 HA PHE 41 -29.292 -2.028 -22.948 1.00 41.31 ATOM 624 CB PHE 41 -30.819 -3.320 -23.705 1.00 54.40 ATOM 625 HB1 PHE 41 -31.382 -2.552 -24.217 1.00 37.06 ATOM 626 HB2 PHE 41 -31.505 -4.059 -23.314 1.00 63.32 ATOM 627 CG PHE 41 -29.932 -4.003 -24.720 1.00 44.31 ATOM 628 CD1 PHE 41 -29.447 -5.283 -24.491 1.00 24.41 ATOM 629 HD1 PHE 41 -29.712 -5.794 -23.576 1.00 54.21 ATOM 630 CD2 PHE 41 -29.582 -3.362 -25.900 1.00 44.14 ATOM 631 HD2 PHE 41 -29.954 -2.366 -26.094 1.00 63.40 ATOM 632 CE1 PHE 41 -28.633 -5.909 -25.416 1.00 2.12 ATOM 633 HE1 PHE 41 -28.263 -6.906 -25.224 1.00 31.32 ATOM 634 CE2 PHE 41 -28.768 -3.984 -26.828 1.00 33.32 ATOM 635 HE2 PHE 41 -28.502 -3.472 -27.743 1.00 3.35 ATOM 636 CZ PHE 41 -28.292 -5.258 -26.585 1.00 2.23 ATOM 637 HZ PHE 41 -27.655 -5.746 -27.309 1.00 70.34 ATOM 638 C PHE 41 -31.009 -1.838 -21.678 1.00 75.40 ATOM 639 O PHE 41 -31.989 -2.337 -21.122 1.00 53.12 ATOM 640 N TRP 42 -30.713 -0.545 -21.602 1.00 21.02 ATOM 641 HN TRP 42 -29.885 -0.233 -22.027 1.00 37.06 ATOM 642 CA TRP 42 -31.560 0.443 -20.918 1.00 65.41 ATOM 643 HA TRP 42 -32.252 -0.088 -20.279 1.00 73.00 ATOM 644 CB TRP 42 -30.654 1.345 -20.049 1.00 33.15 ATOM 645 HB1 TRP 42 -29.747 1.557 -20.600 1.00 37.06 ATOM 646 HB2 TRP 42 -30.390 0.807 -19.151 1.00 71.32 ATOM 647 CG TRP 42 -31.253 2.661 -19.626 1.00 53.21 ATOM 648 CD1 TRP 42 -31.043 3.874 -20.214 1.00 10.44 ATOM 649 HD1 TRP 42 -30.416 4.028 -21.077 1.00 54.14 ATOM 650 CD2 TRP 42 -32.130 2.905 -18.516 1.00 44.42 ATOM 651 NE1 TRP 42 -31.734 4.849 -19.553 1.00 32.52 ATOM 652 HE1 TRP 42 -31.739 5.796 -19.794 1.00 34.21 ATOM 653 CE2 TRP 42 -32.417 4.283 -18.509 1.00 42.33 ATOM 654 CE3 TRP 42 -32.707 2.091 -17.538 1.00 62.33 ATOM 655 HE3 TRP 42 -32.513 1.028 -17.509 1.00 0.22 ATOM 656 CZ2 TRP 42 -33.250 4.865 -17.560 1.00 25.23 ATOM 657 HZ2 TRP 42 -33.466 5.923 -17.562 1.00 51.10 ATOM 658 CZ3 TRP 42 -33.536 2.670 -16.595 1.00 14.12 ATOM 659 HZ3 TRP 42 -33.992 2.057 -15.832 1.00 40.55 ATOM 660 CH2 TRP 42 -33.802 4.045 -16.613 1.00 41.43 ATOM 661 HH2 TRP 42 -34.457 4.453 -15.857 1.00 1.34 ATOM 662 C TRP 42 -32.359 1.265 -21.957 1.00 14.12 ATOM 663 O TRP 42 -31.834 1.602 -23.019 1.00 22.33 ATOM 664 N PRO 43 -33.646 1.591 -21.693 1.00 11.24 ATOM 665 CA PRO 43 -34.363 1.238 -20.459 1.00 41.11 ATOM 666 HA PRO 43 -33.695 1.183 -19.613 1.00 72.43 ATOM 667 CB PRO 43 -35.295 2.441 -20.297 1.00 72.23 ATOM 668 HB1 PRO 43 -34.776 3.236 -19.781 1.00 37.06 ATOM 669 HB2 PRO 43 -36.173 2.153 -19.734 1.00 3.35 ATOM 670 CG PRO 43 -35.646 2.842 -21.699 1.00 15.54 ATOM 671 HG1 PRO 43 -35.748 3.917 -21.756 1.00 37.06 ATOM 672 HG2 PRO 43 -36.572 2.367 -21.993 1.00 12.31 ATOM 673 CD PRO 43 -34.512 2.373 -22.594 1.00 35.35 ATOM 674 HD1 PRO 43 -33.978 3.221 -23.002 1.00 37.06 ATOM 675 HD2 PRO 43 -34.892 1.751 -23.391 1.00 64.22 ATOM 676 C PRO 43 -35.173 -0.069 -20.555 1.00 61.43 ATOM 677 O PRO 43 -36.058 -0.318 -19.730 1.00 43.01 ATOM 678 N ARG 44 -34.857 -0.906 -21.545 1.00 3.02 ATOM 679 HN ARG 44 -34.125 -0.670 -22.151 1.00 37.06 ATOM 680 CA ARG 44 -35.582 -2.167 -21.753 1.00 75.45 ATOM 681 HA ARG 44 -36.622 -1.919 -21.914 1.00 34.20 ATOM 682 CB ARG 44 -35.050 -2.890 -23.001 1.00 44.25 ATOM 683 HB1 ARG 44 -35.596 -3.814 -23.126 1.00 37.06 ATOM 684 HB2 ARG 44 -34.004 -3.119 -22.851 1.00 51.35 ATOM 685 CG ARG 44 -35.182 -2.079 -24.290 1.00 21.22 ATOM 686 HG1 ARG 44 -34.512 -1.231 -24.239 1.00 37.06 ATOM 687 HG2 ARG 44 -36.199 -1.728 -24.378 1.00 24.35 ATOM 688 CD ARG 44 -34.839 -2.908 -25.527 1.00 71.40 ATOM 689 HD1 ARG 44 -33.831 -3.285 -25.427 1.00 37.06 ATOM 690 HD2 ARG 44 -34.898 -2.271 -26.398 1.00 65.04 ATOM 691 NE ARG 44 -35.755 -4.039 -25.698 1.00 42.05 ATOM 692 HE ARG 44 -36.067 -4.491 -24.888 1.00 11.44 ATOM 693 CZ ARG 44 -36.185 -4.480 -26.850 1.00 74.21 ATOM 694 NH1 ARG 44 -35.783 -3.943 -27.957 1.00 2.22 ATOM 695 HH11 ARG 44 -35.141 -3.181 -27.938 1.00 53.33 ATOM 696 HH12 ARG 44 -36.113 -4.297 -28.829 1.00 31.33 ATOM 697 NH2 ARG 44 -37.014 -5.471 -26.890 1.00 74.21 ATOM 698 HH21 ARG 44 -37.323 -5.896 -26.040 1.00 63.22 ATOM 699 HH22 ARG 44 -37.353 -5.801 -27.769 1.00 0.24 ATOM 700 C ARG 44 -35.490 -3.090 -20.522 1.00 44.44 ATOM 701 O ARG 44 -36.411 -3.858 -20.238 1.00 33.11 ATOM 702 N ALA 45 -34.378 -3.006 -19.796 1.00 41.24 ATOM 703 HN ALA 45 -33.664 -2.401 -20.090 1.00 37.06 ATOM 704 CA ALA 45 -34.181 -3.796 -18.576 1.00 73.33 ATOM 705 HA ALA 45 -35.155 -4.069 -18.191 1.00 12.43 ATOM 706 CB ALA 45 -33.421 -5.077 -18.897 1.00 30.40 ATOM 707 HB1 ALA 45 -32.440 -4.830 -19.280 1.00 2.21 ATOM 708 HB2 ALA 45 -33.964 -5.642 -19.639 1.00 52.33 ATOM 709 HB3 ALA 45 -33.318 -5.672 -17.999 1.00 4.24 ATOM 710 C ALA 45 -33.430 -2.998 -17.502 1.00 15.23 ATOM 711 O ALA 45 -32.884 -1.927 -17.776 1.00 33.02 ATOM 712 N ASP 46 -33.404 -3.530 -16.279 1.00 22.33 ATOM 713 HN ASP 46 -33.906 -4.355 -16.108 1.00 37.06 ATOM 714 CA ASP 46 -32.660 -2.910 -15.179 1.00 75.43 ATOM 715 HA ASP 46 -32.924 -1.862 -15.151 1.00 15.03 ATOM 716 CB ASP 46 -33.048 -3.557 -13.844 1.00 73.42 ATOM 717 HB1 ASP 46 -32.574 -3.018 -13.034 1.00 37.06 ATOM 718 HB2 ASP 46 -32.708 -4.584 -13.832 1.00 13.42 ATOM 719 CG ASP 46 -34.548 -3.542 -13.620 1.00 43.25 ATOM 720 OD1 ASP 46 -35.073 -2.525 -13.117 1.00 45.13 ATOM 721 OD2 ASP 46 -35.211 -4.546 -13.957 1.00 31.54 ATOM 722 C ASP 46 -31.145 -3.031 -15.415 1.00 41.02 ATOM 723 O ASP 46 -30.482 -3.912 -14.866 1.00 43.01 ATOM 724 N ALA 47 -30.615 -2.157 -16.265 1.00 70.22 ATOM 725 HN ALA 47 -31.192 -1.454 -16.641 1.00 37.06 ATOM 726 CA ALA 47 -29.207 -2.213 -16.674 1.00 61.41 ATOM 727 HA ALA 47 -29.057 -3.144 -17.205 1.00 45.24 ATOM 728 CB ALA 47 -28.903 -1.073 -17.639 1.00 43.02 ATOM 729 HB1 ALA 47 -29.043 -0.126 -17.136 1.00 61.32 ATOM 730 HB2 ALA 47 -29.569 -1.131 -18.487 1.00 72.12 ATOM 731 HB3 ALA 47 -27.880 -1.150 -17.981 1.00 40.43 ATOM 732 C ALA 47 -28.243 -2.172 -15.477 1.00 54.20 ATOM 733 O ALA 47 -27.374 -3.035 -15.337 1.00 43.14 ATOM 734 N TRP 48 -28.413 -1.181 -14.611 1.00 40.34 ATOM 735 HN TRP 48 -29.169 -0.568 -14.731 1.00 37.06 ATOM 736 CA TRP 48 -27.506 -0.978 -13.477 1.00 0.42 ATOM 737 HA TRP 48 -26.494 -0.971 -13.865 1.00 54.21 ATOM 738 CB TRP 48 -27.789 0.378 -12.821 1.00 2.51 ATOM 739 HB1 TRP 48 -28.734 0.328 -12.299 1.00 37.06 ATOM 740 HB2 TRP 48 -27.850 1.137 -13.588 1.00 21.11 ATOM 741 CG TRP 48 -26.735 0.797 -11.838 1.00 12.05 ATOM 742 CD1 TRP 48 -25.482 1.253 -12.131 1.00 70.14 ATOM 743 HD1 TRP 48 -25.094 1.366 -13.133 1.00 33.10 ATOM 744 CD2 TRP 48 -26.841 0.805 -10.408 1.00 0.43 ATOM 745 NE1 TRP 48 -24.801 1.533 -10.975 1.00 44.34 ATOM 746 HE1 TRP 48 -23.885 1.872 -10.926 1.00 32.11 ATOM 747 CE2 TRP 48 -25.612 1.269 -9.905 1.00 3.12 ATOM 748 CE3 TRP 48 -27.854 0.463 -9.505 1.00 73.43 ATOM 749 HE3 TRP 48 -28.812 0.101 -9.849 1.00 35.33 ATOM 750 CZ2 TRP 48 -25.369 1.404 -8.541 1.00 52.20 ATOM 751 HZ2 TRP 48 -24.422 1.760 -8.163 1.00 14.14 ATOM 752 CZ3 TRP 48 -27.610 0.597 -8.151 1.00 60.10 ATOM 753 HZ3 TRP 48 -28.380 0.339 -7.438 1.00 72.24 ATOM 754 CH2 TRP 48 -26.375 1.062 -7.679 1.00 2.22 ATOM 755 HH2 TRP 48 -26.228 1.151 -6.612 1.00 65.13 ATOM 756 C TRP 48 -27.627 -2.112 -12.440 1.00 34.13 ATOM 757 O TRP 48 -26.622 -2.603 -11.923 1.00 60.30 ATOM 758 N GLN 49 -28.858 -2.528 -12.146 1.00 41.45 ATOM 759 HN GLN 49 -29.623 -2.096 -12.586 1.00 37.06 ATOM 760 CA GLN 49 -29.105 -3.604 -11.176 1.00 63.34 ATOM 761 HA GLN 49 -28.661 -3.305 -10.238 1.00 25.20 ATOM 762 CB GLN 49 -30.614 -3.802 -10.967 1.00 1.43 ATOM 763 HB1 GLN 49 -31.059 -4.111 -11.902 1.00 37.06 ATOM 764 HB2 GLN 49 -31.051 -2.858 -10.668 1.00 43.45 ATOM 765 CG GLN 49 -30.956 -4.844 -9.905 1.00 40.32 ATOM 766 HG1 GLN 49 -30.526 -5.791 -10.200 1.00 37.06 ATOM 767 HG2 GLN 49 -32.031 -4.945 -9.850 1.00 20.11 ATOM 768 CD GLN 49 -30.434 -4.484 -8.519 1.00 54.21 ATOM 769 OE1 GLN 49 -30.087 -5.355 -7.728 1.00 21.04 ATOM 770 NE2 GLN 49 -30.389 -3.202 -8.205 1.00 3.30 ATOM 771 HE21 GLN 49 -30.690 -2.549 -8.868 1.00 1.30 ATOM 772 HE22 GLN 49 -30.062 -2.960 -7.314 1.00 71.15 ATOM 773 C GLN 49 -28.457 -4.926 -11.625 1.00 23.03 ATOM 774 O GLN 49 -27.866 -5.651 -10.818 1.00 34.13 ATOM 775 N GLN 50 -28.573 -5.234 -12.914 1.00 13.44 ATOM 776 HN GLN 50 -29.093 -4.642 -13.501 1.00 37.06 ATOM 777 CA GLN 50 -27.944 -6.433 -13.481 1.00 22.25 ATOM 778 HA GLN 50 -28.243 -7.281 -12.878 1.00 12.25 ATOM 779 CB GLN 50 -28.417 -6.656 -14.926 1.00 41.41 ATOM 780 HB1 GLN 50 -27.913 -7.525 -15.325 1.00 37.06 ATOM 781 HB2 GLN 50 -28.145 -5.792 -15.518 1.00 63.20 ATOM 782 CG GLN 50 -29.922 -6.872 -15.062 1.00 63.31 ATOM 783 HG1 GLN 50 -30.436 -6.040 -14.602 1.00 37.06 ATOM 784 HG2 GLN 50 -30.190 -7.785 -14.549 1.00 2.42 ATOM 785 CD GLN 50 -30.371 -6.983 -16.510 1.00 64.21 ATOM 786 OE1 GLN 50 -30.429 -8.067 -17.076 1.00 41.14 ATOM 787 NE2 GLN 50 -30.685 -5.860 -17.123 1.00 15.21 ATOM 788 HE21 GLN 50 -30.615 -5.025 -16.619 1.00 13.04 ATOM 789 HE22 GLN 50 -30.967 -5.911 -18.057 1.00 54.41 ATOM 790 C GLN 50 -26.411 -6.316 -13.445 1.00 20.31 ATOM 791 O GLN 50 -25.715 -7.239 -13.018 1.00 22.55 ATOM 792 N LEU 51 -25.899 -5.164 -13.878 1.00 25.13 ATOM 793 HN LEU 51 -26.508 -4.458 -14.182 1.00 37.06 ATOM 794 CA LEU 51 -24.455 -4.919 -13.923 1.00 2.24 ATOM 795 HA LEU 51 -24.015 -5.674 -14.561 1.00 42.24 ATOM 796 CB LEU 51 -24.173 -3.538 -14.532 1.00 13.34 ATOM 797 HB1 LEU 51 -24.601 -2.787 -13.881 1.00 37.06 ATOM 798 HB2 LEU 51 -24.673 -3.483 -15.490 1.00 24.25 ATOM 799 CG LEU 51 -22.683 -3.203 -14.741 1.00 50.33 ATOM 800 HG LEU 51 -22.169 -3.298 -13.794 1.00 21.51 ATOM 801 CD1 LEU 51 -22.036 -4.186 -15.720 1.00 32.44 ATOM 802 HD11 LEU 51 -22.543 -4.138 -16.673 1.00 32.24 ATOM 803 HD12 LEU 51 -22.107 -5.190 -15.327 1.00 35.21 ATOM 804 HD13 LEU 51 -20.994 -3.929 -15.855 1.00 13.02 ATOM 805 CD2 LEU 51 -22.511 -1.762 -15.224 1.00 12.42 ATOM 806 HD21 LEU 51 -22.934 -1.084 -14.496 1.00 20.11 ATOM 807 HD22 LEU 51 -23.015 -1.634 -16.171 1.00 21.35 ATOM 808 HD23 LEU 51 -21.459 -1.545 -15.346 1.00 63.44 ATOM 809 C LEU 51 -23.812 -5.021 -12.528 1.00 3.03 ATOM 810 O LEU 51 -22.823 -5.735 -12.343 1.00 53.42 ATOM 811 N LYS 52 -24.378 -4.314 -11.546 1.00 4.32 ATOM 812 HN LYS 52 -25.171 -3.772 -11.742 1.00 37.06 ATOM 813 CA LYS 52 -23.832 -4.327 -10.184 1.00 32.43 ATOM 814 HA LYS 52 -22.814 -3.964 -10.244 1.00 35.13 ATOM 815 CB LYS 52 -24.628 -3.397 -9.247 1.00 72.25 ATOM 816 HB1 LYS 52 -24.737 -2.436 -9.729 1.00 37.06 ATOM 817 HB2 LYS 52 -24.063 -3.265 -8.335 1.00 71.40 ATOM 818 CG LYS 52 -26.021 -3.904 -8.871 1.00 35.33 ATOM 819 HG1 LYS 52 -25.921 -4.860 -8.374 1.00 37.06 ATOM 820 HG2 LYS 52 -26.602 -4.029 -9.773 1.00 10.14 ATOM 821 CD LYS 52 -26.755 -2.938 -7.943 1.00 42.30 ATOM 822 HD1 LYS 52 -27.740 -3.335 -7.738 1.00 37.06 ATOM 823 HD2 LYS 52 -26.851 -1.984 -8.438 1.00 30.54 ATOM 824 CE LYS 52 -26.022 -2.735 -6.618 1.00 41.24 ATOM 825 HE1 LYS 52 -26.521 -1.951 -6.064 1.00 37.06 ATOM 826 HE2 LYS 52 -25.006 -2.433 -6.824 1.00 44.33 ATOM 827 NZ LYS 52 -25.997 -3.970 -5.786 1.00 1.22 ATOM 828 HZ1 LYS 52 -25.420 -3.816 -4.936 1.00 72.44 ATOM 829 HZ2 LYS 52 -25.587 -4.762 -6.321 1.00 72.02 ATOM 830 HZ3 LYS 52 -26.963 -4.230 -5.491 1.00 4.11 ATOM 831 C LYS 52 -23.800 -5.751 -9.618 1.00 11.13 ATOM 832 O LYS 52 -22.801 -6.174 -9.043 1.00 35.15 ATOM 833 N ASP 53 -24.887 -6.495 -9.811 1.00 1.42 ATOM 834 HN ASP 53 -25.646 -6.112 -10.303 1.00 37.06 ATOM 835 CA ASP 53 -24.982 -7.866 -9.313 1.00 30.42 ATOM 836 HA ASP 53 -24.846 -7.832 -8.239 1.00 23.22 ATOM 837 CB ASP 53 -26.369 -8.438 -9.618 1.00 41.12 ATOM 838 HB1 ASP 53 -26.492 -8.514 -10.691 1.00 37.06 ATOM 839 HB2 ASP 53 -27.123 -7.771 -9.223 1.00 4.32 ATOM 840 CG ASP 53 -26.575 -9.810 -9.006 1.00 22.34 ATOM 841 OD1 ASP 53 -26.376 -9.950 -7.783 1.00 10.34 ATOM 842 OD2 ASP 53 -26.952 -10.747 -9.741 1.00 54.50 ATOM 843 C ASP 53 -23.881 -8.756 -9.918 1.00 32.35 ATOM 844 O ASP 53 -23.276 -9.571 -9.222 1.00 23.25 ATOM 845 N GLU 54 -23.618 -8.580 -11.211 1.00 34.23 ATOM 846 HN GLU 54 -24.159 -7.942 -11.725 1.00 37.06 ATOM 847 CA GLU 54 -22.545 -9.317 -11.890 1.00 35.53 ATOM 848 HA GLU 54 -22.739 -10.372 -11.751 1.00 64.22 ATOM 849 CB GLU 54 -22.555 -9.010 -13.396 1.00 35.24 ATOM 850 HB1 GLU 54 -21.601 -9.295 -13.819 1.00 37.06 ATOM 851 HB2 GLU 54 -22.694 -7.947 -13.535 1.00 61.22 ATOM 852 CG GLU 54 -23.652 -9.738 -14.168 1.00 53.04 ATOM 853 HG1 GLU 54 -23.727 -9.304 -15.156 1.00 37.06 ATOM 854 HG2 GLU 54 -24.592 -9.604 -13.649 1.00 42.32 ATOM 855 CD GLU 54 -23.379 -11.231 -14.305 1.00 51.24 ATOM 856 OE1 GLU 54 -23.521 -11.966 -13.303 1.00 10.54 ATOM 857 OE2 GLU 54 -23.016 -11.676 -15.418 1.00 72.33 ATOM 858 C GLU 54 -21.165 -8.995 -11.296 1.00 12.31 ATOM 859 O GLU 54 -20.361 -9.895 -11.052 1.00 10.10 ATOM 860 N LEU 55 -20.897 -7.711 -11.066 1.00 1.41 ATOM 861 HN LEU 55 -21.581 -7.038 -11.280 1.00 37.06 ATOM 862 CA LEU 55 -19.609 -7.270 -10.510 1.00 43.13 ATOM 863 HA LEU 55 -18.825 -7.716 -11.105 1.00 61.31 ATOM 864 CB LEU 55 -19.491 -5.742 -10.604 1.00 1.52 ATOM 865 HB1 LEU 55 -18.549 -5.447 -10.161 1.00 37.06 ATOM 866 HB2 LEU 55 -20.292 -5.305 -10.021 1.00 0.51 ATOM 867 CG LEU 55 -19.555 -5.162 -12.027 1.00 4.41 ATOM 868 HG LEU 55 -20.503 -5.431 -12.471 1.00 24.34 ATOM 869 CD1 LEU 55 -19.474 -3.638 -11.995 1.00 50.24 ATOM 870 HD11 LEU 55 -20.308 -3.243 -11.432 1.00 14.24 ATOM 871 HD12 LEU 55 -19.509 -3.254 -13.004 1.00 71.00 ATOM 872 HD13 LEU 55 -18.548 -3.332 -11.526 1.00 62.24 ATOM 873 CD2 LEU 55 -18.445 -5.744 -12.903 1.00 1.23 ATOM 874 HD21 LEU 55 -17.482 -5.503 -12.477 1.00 25.41 ATOM 875 HD22 LEU 55 -18.513 -5.325 -13.897 1.00 54.55 ATOM 876 HD23 LEU 55 -18.555 -6.817 -12.959 1.00 35.21 ATOM 877 C LEU 55 -19.429 -7.713 -9.047 1.00 64.30 ATOM 878 O LEU 55 -18.366 -8.194 -8.660 1.00 42.35 ATOM 879 N GLU 56 -20.478 -7.551 -8.246 1.00 31.03 ATOM 880 HN GLU 56 -21.315 -7.212 -8.627 1.00 37.06 ATOM 881 CA GLU 56 -20.425 -7.861 -6.811 1.00 0.41 ATOM 882 HA GLU 56 -19.508 -7.443 -6.419 1.00 44.21 ATOM 883 CB GLU 56 -21.610 -7.202 -6.098 1.00 55.14 ATOM 884 HB1 GLU 56 -21.529 -7.390 -5.036 1.00 37.06 ATOM 885 HB2 GLU 56 -22.527 -7.642 -6.464 1.00 72.05 ATOM 886 CG GLU 56 -21.682 -5.691 -6.315 1.00 44.34 ATOM 887 HG1 GLU 56 -21.665 -5.494 -7.378 1.00 37.06 ATOM 888 HG2 GLU 56 -20.816 -5.235 -5.857 1.00 65.41 ATOM 889 CD GLU 56 -22.933 -5.058 -5.727 1.00 31.24 ATOM 890 OE1 GLU 56 -22.821 -4.007 -5.056 1.00 10.21 ATOM 891 OE2 GLU 56 -24.034 -5.609 -5.937 1.00 5.51 ATOM 892 C GLU 56 -20.419 -9.377 -6.550 1.00 72.23 ATOM 893 O GLU 56 -19.853 -9.840 -5.555 1.00 73.23 ATOM 894 N ALA 57 -21.058 -10.146 -7.434 1.00 75.25 ATOM 895 HN ALA 57 -21.576 -9.721 -8.151 1.00 37.06 ATOM 896 CA ALA 57 -21.020 -11.611 -7.351 1.00 53.32 ATOM 897 HA ALA 57 -21.411 -11.903 -6.385 1.00 73.31 ATOM 898 CB ALA 57 -21.904 -12.223 -8.432 1.00 42.51 ATOM 899 HB1 ALA 57 -22.918 -11.867 -8.312 1.00 14.32 ATOM 900 HB2 ALA 57 -21.889 -13.300 -8.347 1.00 1.23 ATOM 901 HB3 ALA 57 -21.535 -11.933 -9.405 1.00 41.12 ATOM 902 C ALA 57 -19.578 -12.125 -7.484 1.00 24.53 ATOM 903 O ALA 57 -19.191 -13.122 -6.866 1.00 44.33 ATOM 904 N LYS 58 -18.788 -11.427 -8.296 1.00 15.53 ATOM 905 HN LYS 58 -19.169 -10.672 -8.794 1.00 37.06 ATOM 906 CA LYS 58 -17.370 -11.740 -8.464 1.00 55.02 ATOM 907 HA LYS 58 -17.261 -12.816 -8.485 1.00 3.21 ATOM 908 CB LYS 58 -16.860 -11.156 -9.787 1.00 62.33 ATOM 909 HB1 LYS 58 -15.843 -11.488 -9.944 1.00 37.06 ATOM 910 HB2 LYS 58 -16.868 -10.077 -9.717 1.00 42.04 ATOM 911 CG LYS 58 -17.685 -11.559 -11.005 1.00 24.13 ATOM 912 HG1 LYS 58 -18.724 -11.325 -10.815 1.00 37.06 ATOM 913 HG2 LYS 58 -17.579 -12.622 -11.165 1.00 63.34 ATOM 914 CD LYS 58 -17.233 -10.821 -12.265 1.00 30.42 ATOM 915 HD1 LYS 58 -16.209 -11.094 -12.485 1.00 37.06 ATOM 916 HD2 LYS 58 -17.289 -9.756 -12.087 1.00 22.05 ATOM 917 CE LYS 58 -18.106 -11.164 -13.469 1.00 63.34 ATOM 918 HE1 LYS 58 -17.735 -10.628 -14.332 1.00 37.06 ATOM 919 HE2 LYS 58 -19.120 -10.850 -13.265 1.00 72.41 ATOM 920 NZ LYS 58 -18.105 -12.620 -13.768 1.00 52.11 ATOM 921 HZ1 LYS 58 -17.129 -12.969 -13.861 1.00 53.23 ATOM 922 HZ2 LYS 58 -18.609 -12.801 -14.660 1.00 73.21 ATOM 923 HZ3 LYS 58 -18.580 -13.146 -13.008 1.00 73.04 ATOM 924 C LYS 58 -16.558 -11.176 -7.287 1.00 3.25 ATOM 925 O LYS 58 -16.143 -10.018 -7.302 1.00 14.21 ATOM 926 N HIS 59 -16.332 -12.000 -6.268 1.00 12.43 ATOM 927 HN HIS 59 -16.589 -12.944 -6.353 1.00 37.06 ATOM 928 CA HIS 59 -15.708 -11.533 -5.022 1.00 62.21 ATOM 929 HA HIS 59 -16.233 -10.637 -4.720 1.00 51.25 ATOM 930 CB HIS 59 -15.882 -12.583 -3.918 1.00 61.10 ATOM 931 HB1 HIS 59 -15.433 -12.216 -3.006 1.00 37.06 ATOM 932 HB2 HIS 59 -15.387 -13.497 -4.215 1.00 73.52 ATOM 933 CG HIS 59 -17.319 -12.906 -3.627 1.00 24.41 ATOM 934 ND1 HIS 59 -17.819 -14.188 -3.623 1.00 23.54 ATOM 935 HD1 HIS 59 -17.306 -15.003 -3.801 1.00 35.02 ATOM 936 CD2 HIS 59 -18.365 -12.099 -3.323 1.00 45.31 ATOM 937 HD2 HIS 59 -18.340 -11.022 -3.233 1.00 61.32 ATOM 938 CE1 HIS 59 -19.104 -14.160 -3.333 1.00 33.42 ATOM 939 HE1 HIS 59 -19.752 -15.019 -3.255 1.00 4.12 ATOM 940 NE2 HIS 59 -19.461 -12.907 -3.146 1.00 14.33 ATOM 941 HE2 HIS 59 -20.393 -12.593 -3.123 1.00 37.06 ATOM 942 C HIS 59 -14.220 -11.168 -5.199 1.00 72.34 ATOM 943 O HIS 59 -13.567 -10.727 -4.251 1.00 13.40 ATOM 944 N TRP 60 -13.688 -11.352 -6.408 1.00 0.43 ATOM 945 HN TRP 60 -14.234 -11.761 -7.108 1.00 37.06 ATOM 946 CA TRP 60 -12.305 -10.964 -6.713 1.00 14.53 ATOM 947 HA TRP 60 -11.758 -10.964 -5.780 1.00 74.21 ATOM 948 CB TRP 60 -11.649 -11.992 -7.657 1.00 62.30 ATOM 949 HB1 TRP 60 -11.622 -12.952 -7.160 1.00 37.06 ATOM 950 HB2 TRP 60 -10.636 -11.681 -7.866 1.00 73.02 ATOM 951 CG TRP 60 -12.352 -12.176 -8.976 1.00 4.34 ATOM 952 CD1 TRP 60 -13.489 -12.900 -9.211 1.00 23.43 ATOM 953 HD1 TRP 60 -14.043 -13.428 -8.448 1.00 54.45 ATOM 954 CD2 TRP 60 -11.943 -11.650 -10.248 1.00 60.13 ATOM 955 NE1 TRP 60 -13.818 -12.843 -10.544 1.00 23.24 ATOM 956 HE1 TRP 60 -14.595 -13.279 -10.960 1.00 45.42 ATOM 957 CE2 TRP 60 -12.884 -12.084 -11.201 1.00 65.11 ATOM 958 CE3 TRP 60 -10.876 -10.847 -10.671 1.00 42.40 ATOM 959 HE3 TRP 60 -10.133 -10.492 -9.972 1.00 32.32 ATOM 960 CZ2 TRP 60 -12.788 -11.746 -12.549 1.00 30.44 ATOM 961 HZ2 TRP 60 -13.515 -12.083 -13.275 1.00 4.42 ATOM 962 CZ3 TRP 60 -10.782 -10.514 -12.010 1.00 24.43 ATOM 963 HZ3 TRP 60 -9.965 -9.897 -12.356 1.00 55.23 ATOM 964 CH2 TRP 60 -11.734 -10.961 -12.935 1.00 32.24 ATOM 965 HH2 TRP 60 -11.621 -10.677 -13.972 1.00 51.14 ATOM 966 C TRP 60 -12.227 -9.541 -7.306 1.00 44.11 ATOM 967 O TRP 60 -11.151 -9.072 -7.676 1.00 65.31 ATOM 968 N ILE 61 -13.371 -8.858 -7.388 1.00 43.23 ATOM 969 HN ILE 61 -14.208 -9.301 -7.129 1.00 37.06 ATOM 970 CA ILE 61 -13.420 -7.462 -7.855 1.00 32.32 ATOM 971 HA ILE 61 -12.598 -7.314 -8.544 1.00 61.23 ATOM 972 CB ILE 61 -14.752 -7.162 -8.615 1.00 4.11 ATOM 973 HB ILE 61 -15.542 -7.720 -8.128 1.00 3.20 ATOM 974 CG1 ILE 61 -14.671 -7.607 -10.088 1.00 61.04 ATOM 975 HG11 ILE 61 -13.960 -6.979 -10.608 1.00 37.06 ATOM 976 HG12 ILE 61 -15.642 -7.488 -10.544 1.00 61.04 ATOM 977 CG2 ILE 61 -15.122 -5.678 -8.539 1.00 43.21 ATOM 978 HG21 ILE 61 -14.315 -5.081 -8.941 1.00 54.20 ATOM 979 HG22 ILE 61 -15.297 -5.400 -7.510 1.00 43.25 ATOM 980 HG23 ILE 61 -16.019 -5.501 -9.114 1.00 10.22 ATOM 981 CD1 ILE 61 -14.249 -9.043 -10.288 1.00 25.42 ATOM 982 HD11 ILE 61 -13.242 -9.180 -9.920 1.00 64.14 ATOM 983 HD12 ILE 61 -14.283 -9.284 -11.340 1.00 54.10 ATOM 984 HD13 ILE 61 -14.919 -9.694 -9.748 1.00 53.44 ATOM 985 C ILE 61 -13.261 -6.476 -6.681 1.00 62.22 ATOM 986 O ILE 61 -13.953 -6.584 -5.667 1.00 60.15 ATOM 987 N ALA 62 -12.346 -5.514 -6.829 1.00 63.33 ATOM 988 HN ALA 62 -11.794 -5.506 -7.636 1.00 37.06 ATOM 989 CA ALA 62 -12.140 -4.474 -5.811 1.00 11.21 ATOM 990 HA ALA 62 -11.952 -4.967 -4.866 1.00 54.04 ATOM 991 CB ALA 62 -10.912 -3.638 -6.159 1.00 51.14 ATOM 992 HB1 ALA 62 -10.729 -2.917 -5.374 1.00 44.12 ATOM 993 HB2 ALA 62 -11.080 -3.117 -7.092 1.00 24.35 ATOM 994 HB3 ALA 62 -10.053 -4.285 -6.260 1.00 43.13 ATOM 995 C ALA 62 -13.381 -3.577 -5.666 1.00 32.52 ATOM 996 O ALA 62 -13.939 -3.109 -6.661 1.00 43.24 ATOM 997 N GLU 63 -13.798 -3.322 -4.426 1.00 13.21 ATOM 998 HN GLU 63 -13.262 -3.642 -3.670 1.00 37.06 ATOM 999 CA GLU 63 -15.025 -2.566 -4.162 1.00 22.00 ATOM 1000 HA GLU 63 -15.831 -3.079 -4.670 1.00 5.23 ATOM 1001 CB GLU 63 -15.337 -2.542 -2.662 1.00 1.22 ATOM 1002 HB1 GLU 63 -14.504 -2.093 -2.139 1.00 37.06 ATOM 1003 HB2 GLU 63 -15.460 -3.558 -2.316 1.00 41.32 ATOM 1004 CG GLU 63 -16.600 -1.756 -2.316 1.00 35.20 ATOM 1005 HG1 GLU 63 -17.402 -2.088 -2.961 1.00 37.06 ATOM 1006 HG2 GLU 63 -16.415 -0.705 -2.496 1.00 41.40 ATOM 1007 CD GLU 63 -17.032 -1.931 -0.870 1.00 11.43 ATOM 1008 OE1 GLU 63 -17.825 -2.857 -0.592 1.00 15.00 ATOM 1009 OE2 GLU 63 -16.587 -1.144 -0.007 1.00 70.13 ATOM 1010 C GLU 63 -14.950 -1.132 -4.707 1.00 14.24 ATOM 1011 O GLU 63 -15.880 -0.673 -5.368 1.00 62.34 ATOM 1012 N ALA 64 -13.848 -0.433 -4.437 1.00 3.32 ATOM 1013 HN ALA 64 -13.139 -0.846 -3.895 1.00 37.06 ATOM 1014 CA ALA 64 -13.674 0.945 -4.924 1.00 4.12 ATOM 1015 HA ALA 64 -14.445 1.556 -4.470 1.00 53.22 ATOM 1016 CB ALA 64 -12.321 1.496 -4.486 1.00 32.03 ATOM 1017 HB1 ALA 64 -12.245 1.449 -3.409 1.00 62.31 ATOM 1018 HB2 ALA 64 -12.226 2.524 -4.806 1.00 52.11 ATOM 1019 HB3 ALA 64 -11.530 0.907 -4.927 1.00 72.52 ATOM 1020 C ALA 64 -13.820 1.020 -6.455 1.00 31.55 ATOM 1021 O ALA 64 -14.521 1.886 -6.982 1.00 43.31 ATOM 1022 N ASP 65 -13.163 0.097 -7.157 1.00 40.23 ATOM 1023 HN ASP 65 -12.573 -0.527 -6.683 1.00 37.06 ATOM 1024 CA ASP 65 -13.279 -0.010 -8.617 1.00 52.12 ATOM 1025 HA ASP 65 -13.014 0.948 -9.042 1.00 21.52 ATOM 1026 CB ASP 65 -12.303 -1.071 -9.136 1.00 3.00 ATOM 1027 HB1 ASP 65 -12.458 -1.209 -10.199 1.00 37.06 ATOM 1028 HB2 ASP 65 -12.493 -2.007 -8.628 1.00 23.10 ATOM 1029 CG ASP 65 -10.852 -0.683 -8.903 1.00 75.31 ATOM 1030 OD1 ASP 65 -10.428 -0.617 -7.730 1.00 43.23 ATOM 1031 OD2 ASP 65 -10.127 -0.440 -9.890 1.00 3.43 ATOM 1032 C ASP 65 -14.718 -0.357 -9.043 1.00 32.15 ATOM 1033 O ASP 65 -15.258 0.228 -9.985 1.00 75.34 ATOM 1034 N ARG 66 -15.328 -1.309 -8.336 1.00 32.43 ATOM 1035 HN ARG 66 -14.830 -1.754 -7.621 1.00 37.06 ATOM 1036 CA ARG 66 -16.712 -1.720 -8.599 1.00 50.31 ATOM 1037 HA ARG 66 -16.752 -2.083 -9.617 1.00 21.44 ATOM 1038 CB ARG 66 -17.100 -2.876 -7.647 1.00 40.05 ATOM 1039 HB1 ARG 66 -16.271 -3.063 -6.976 1.00 37.06 ATOM 1040 HB2 ARG 66 -17.265 -3.765 -8.239 1.00 34.40 ATOM 1041 CG ARG 66 -18.352 -2.645 -6.799 1.00 44.41 ATOM 1042 HG1 ARG 66 -19.213 -2.585 -7.451 1.00 37.06 ATOM 1043 HG2 ARG 66 -18.243 -1.715 -6.259 1.00 71.50 ATOM 1044 CD ARG 66 -18.562 -3.777 -5.796 1.00 13.12 ATOM 1045 HD1 ARG 66 -17.704 -3.820 -5.138 1.00 37.06 ATOM 1046 HD2 ARG 66 -18.642 -4.709 -6.337 1.00 54.03 ATOM 1047 NE ARG 66 -19.774 -3.598 -4.989 1.00 23.43 ATOM 1048 HE ARG 66 -20.612 -3.420 -5.463 1.00 32.03 ATOM 1049 CZ ARG 66 -19.816 -3.699 -3.686 1.00 61.54 ATOM 1050 NH1 ARG 66 -18.737 -3.916 -3.005 1.00 11.45 ATOM 1051 HH11 ARG 66 -17.868 -4.013 -3.471 1.00 0.21 ATOM 1052 HH12 ARG 66 -18.777 -3.966 -2.007 1.00 74.23 ATOM 1053 NH2 ARG 66 -20.945 -3.593 -3.069 1.00 13.34 ATOM 1054 HH21 ARG 66 -21.785 -3.437 -3.591 1.00 42.33 ATOM 1055 HH22 ARG 66 -20.979 -3.669 -2.075 1.00 24.42 ATOM 1056 C ARG 66 -17.682 -0.532 -8.472 1.00 5.33 ATOM 1057 O ARG 66 -18.556 -0.344 -9.314 1.00 25.51 ATOM 1058 N ILE 67 -17.510 0.276 -7.430 1.00 51.53 ATOM 1059 HN ILE 67 -16.802 0.074 -6.783 1.00 37.06 ATOM 1060 CA ILE 67 -18.347 1.463 -7.225 1.00 31.11 ATOM 1061 HA ILE 67 -19.383 1.156 -7.307 1.00 64.25 ATOM 1062 CB ILE 67 -18.126 2.068 -5.812 1.00 2.25 ATOM 1063 HB ILE 67 -17.081 2.337 -5.726 1.00 43.30 ATOM 1064 CG1 ILE 67 -18.463 1.032 -4.721 1.00 20.12 ATOM 1065 HG11 ILE 67 -18.281 1.470 -3.749 1.00 37.06 ATOM 1066 HG12 ILE 67 -17.824 0.169 -4.841 1.00 34.53 ATOM 1067 CG2 ILE 67 -18.957 3.339 -5.623 1.00 42.32 ATOM 1068 HG21 ILE 67 -20.006 3.106 -5.736 1.00 74.12 ATOM 1069 HG22 ILE 67 -18.670 4.072 -6.364 1.00 25.40 ATOM 1070 HG23 ILE 67 -18.782 3.741 -4.636 1.00 34.13 ATOM 1071 CD1 ILE 67 -19.902 0.548 -4.750 1.00 11.54 ATOM 1072 HD11 ILE 67 -20.568 1.387 -4.606 1.00 14.22 ATOM 1073 HD12 ILE 67 -20.056 -0.173 -3.961 1.00 22.01 ATOM 1074 HD13 ILE 67 -20.107 0.086 -5.704 1.00 2.21 ATOM 1075 C ILE 67 -18.060 2.530 -8.300 1.00 51.22 ATOM 1076 O ILE 67 -18.976 3.170 -8.818 1.00 62.13 ATOM 1077 N ASN 68 -16.781 2.699 -8.636 1.00 11.54 ATOM 1078 HN ASN 68 -16.095 2.184 -8.159 1.00 37.06 ATOM 1079 CA ASN 68 -16.365 3.636 -9.688 1.00 75.05 ATOM 1080 HA ASN 68 -16.604 4.636 -9.353 1.00 63.31 ATOM 1081 CB ASN 68 -14.850 3.535 -9.911 1.00 15.35 ATOM 1082 HB1 ASN 68 -14.590 2.504 -10.108 1.00 37.06 ATOM 1083 HB2 ASN 68 -14.340 3.863 -9.017 1.00 22.03 ATOM 1084 CG ASN 68 -14.372 4.387 -11.076 1.00 73.10 ATOM 1085 OD1 ASN 68 -14.900 5.464 -11.339 1.00 61.30 ATOM 1086 ND2 ASN 68 -13.383 3.900 -11.799 1.00 21.23 ATOM 1087 HD21 ASN 68 -13.012 3.028 -11.550 1.00 53.02 ATOM 1088 HD22 ASN 68 -13.065 4.428 -12.561 1.00 65.21 ATOM 1089 C ASN 68 -17.100 3.367 -11.013 1.00 13.21 ATOM 1090 O ASN 68 -17.795 4.240 -11.541 1.00 54.22 ATOM 1091 N VAL 69 -16.940 2.154 -11.543 1.00 73.53 ATOM 1092 HN VAL 69 -16.388 1.493 -11.067 1.00 37.06 ATOM 1093 CA VAL 69 -17.559 1.783 -12.819 1.00 63.53 ATOM 1094 HA VAL 69 -17.227 2.503 -13.556 1.00 62.31 ATOM 1095 CB VAL 69 -17.103 0.379 -13.291 1.00 24.42 ATOM 1096 HB VAL 69 -17.598 0.159 -14.229 1.00 64.22 ATOM 1097 CG1 VAL 69 -15.596 0.366 -13.543 1.00 2.34 ATOM 1098 HG11 VAL 69 -15.348 1.109 -14.288 1.00 2.33 ATOM 1099 HG12 VAL 69 -15.297 -0.611 -13.896 1.00 5.04 ATOM 1100 HG13 VAL 69 -15.073 0.591 -12.624 1.00 30.44 ATOM 1101 CG2 VAL 69 -17.499 -0.696 -12.280 1.00 32.10 ATOM 1102 HG21 VAL 69 -18.574 -0.701 -12.160 1.00 55.22 ATOM 1103 HG22 VAL 69 -17.034 -0.488 -11.328 1.00 32.04 ATOM 1104 HG23 VAL 69 -17.173 -1.664 -12.635 1.00 23.02 ATOM 1105 C VAL 69 -19.096 1.841 -12.753 1.00 32.02 ATOM 1106 O VAL 69 -19.754 2.163 -13.743 1.00 53.01 ATOM 1107 N LEU 70 -19.663 1.543 -11.582 1.00 4.11 ATOM 1108 HN LEU 70 -19.096 1.236 -10.841 1.00 37.06 ATOM 1109 CA LEU 70 -21.113 1.650 -11.378 1.00 12.00 ATOM 1110 HA LEU 70 -21.594 1.118 -12.188 1.00 55.12 ATOM 1111 CB LEU 70 -21.525 0.996 -10.051 1.00 24.22 ATOM 1112 HB1 LEU 70 -22.541 1.293 -9.827 1.00 37.06 ATOM 1113 HB2 LEU 70 -20.880 1.379 -9.271 1.00 64.25 ATOM 1114 CG LEU 70 -21.458 -0.540 -10.025 1.00 53.12 ATOM 1115 HG LEU 70 -20.442 -0.850 -10.224 1.00 23.02 ATOM 1116 CD1 LEU 70 -21.846 -1.077 -8.649 1.00 53.04 ATOM 1117 HD11 LEU 70 -22.863 -0.792 -8.421 1.00 12.31 ATOM 1118 HD12 LEU 70 -21.182 -0.667 -7.901 1.00 13.13 ATOM 1119 HD13 LEU 70 -21.765 -2.155 -8.647 1.00 52.40 ATOM 1120 CD2 LEU 70 -22.352 -1.132 -11.113 1.00 33.33 ATOM 1121 HD21 LEU 70 -22.324 -2.211 -11.057 1.00 4.35 ATOM 1122 HD22 LEU 70 -21.998 -0.814 -12.083 1.00 23.32 ATOM 1123 HD23 LEU 70 -23.368 -0.791 -10.973 1.00 55.21 ATOM 1124 C LEU 70 -21.588 3.112 -11.412 1.00 63.12 ATOM 1125 O LEU 70 -22.635 3.416 -11.985 1.00 1.24 ATOM 1126 N ASN 71 -20.828 4.014 -10.795 1.00 14.23 ATOM 1127 HN ASN 71 -20.012 3.717 -10.333 1.00 37.06 ATOM 1128 CA ASN 71 -21.182 5.440 -10.785 1.00 22.40 ATOM 1129 HA ASN 71 -22.198 5.518 -10.420 1.00 2.55 ATOM 1130 CB ASN 71 -20.263 6.224 -9.843 1.00 3.33 ATOM 1131 HB1 ASN 71 -20.427 7.284 -9.985 1.00 37.06 ATOM 1132 HB2 ASN 71 -19.235 5.990 -10.078 1.00 74.23 ATOM 1133 CG ASN 71 -20.508 5.893 -8.383 1.00 55.44 ATOM 1134 OD1 ASN 71 -21.610 5.525 -7.987 1.00 61.43 ATOM 1135 ND2 ASN 71 -19.486 6.032 -7.570 1.00 12.14 ATOM 1136 HD21 ASN 71 -18.634 6.333 -7.944 1.00 24.12 ATOM 1137 HD22 ASN 71 -19.623 5.839 -6.621 1.00 10.40 ATOM 1138 C ASN 71 -21.128 6.046 -12.194 1.00 51.11 ATOM 1139 O ASN 71 -22.098 6.650 -12.654 1.00 74.51 ATOM 1140 N GLN 72 -20.001 5.872 -12.887 1.00 54.14 ATOM 1141 HN GLN 72 -19.254 5.383 -12.474 1.00 37.06 ATOM 1142 CA GLN 72 -19.852 6.404 -14.247 1.00 20.12 ATOM 1143 HA GLN 72 -20.060 7.466 -14.197 1.00 43.02 ATOM 1144 CB GLN 72 -18.415 6.216 -14.756 1.00 0.23 ATOM 1145 HB1 GLN 72 -17.746 6.741 -14.088 1.00 37.06 ATOM 1146 HB2 GLN 72 -18.336 6.658 -15.740 1.00 25.51 ATOM 1147 CG GLN 72 -17.952 4.765 -14.853 1.00 53.25 ATOM 1148 HG1 GLN 72 -18.537 4.267 -15.615 1.00 37.06 ATOM 1149 HG2 GLN 72 -18.121 4.281 -13.902 1.00 42.11 ATOM 1150 CD GLN 72 -16.474 4.632 -15.208 1.00 23.33 ATOM 1151 OE1 GLN 72 -16.064 3.679 -15.863 1.00 62.33 ATOM 1152 NE2 GLN 72 -15.658 5.576 -14.770 1.00 31.11 ATOM 1153 HE21 GLN 72 -16.030 6.309 -14.242 1.00 10.11 ATOM 1154 HE22 GLN 72 -14.707 5.500 -14.993 1.00 1.11 ATOM 1155 C GLN 72 -20.869 5.768 -15.211 1.00 51.32 ATOM 1156 O GLN 72 -21.371 6.429 -16.121 1.00 54.10 ATOM 1157 N ALA 73 -21.182 4.489 -15.002 1.00 74.14 ATOM 1158 HN ALA 73 -20.675 3.973 -14.338 1.00 37.06 ATOM 1159 CA ALA 73 -22.252 3.830 -15.756 1.00 64.23 ATOM 1160 HA ALA 73 -22.019 3.919 -16.810 1.00 54.41 ATOM 1161 CB ALA 73 -22.321 2.349 -15.408 1.00 63.45 ATOM 1162 HB1 ALA 73 -23.096 1.876 -15.994 1.00 24.34 ATOM 1163 HB2 ALA 73 -22.542 2.235 -14.357 1.00 31.41 ATOM 1164 HB3 ALA 73 -21.371 1.883 -15.628 1.00 53.21 ATOM 1165 C ALA 73 -23.606 4.506 -15.489 1.00 35.13 ATOM 1166 O ALA 73 -24.372 4.773 -16.416 1.00 74.02 ATOM 1167 N THR 74 -23.884 4.789 -14.215 1.00 24.11 ATOM 1168 HN THR 74 -23.252 4.510 -13.520 1.00 37.06 ATOM 1169 CA THR 74 -25.108 5.502 -13.822 1.00 33.54 ATOM 1170 HA THR 74 -25.954 4.910 -14.142 1.00 52.32 ATOM 1171 CB THR 74 -25.195 5.682 -12.283 1.00 24.44 ATOM 1172 HB THR 74 -24.305 6.198 -11.944 1.00 64.41 ATOM 1173 OG1 THR 74 -25.257 4.401 -11.645 1.00 13.22 ATOM 1174 HG1 THR 74 -24.366 4.072 -11.496 1.00 73.13 ATOM 1175 CG2 THR 74 -26.417 6.505 -11.881 1.00 1.14 ATOM 1176 HG21 THR 74 -27.314 6.015 -12.234 1.00 11.24 ATOM 1177 HG22 THR 74 -26.352 7.491 -12.319 1.00 11.42 ATOM 1178 HG23 THR 74 -26.456 6.593 -10.805 1.00 34.24 ATOM 1179 C THR 74 -25.183 6.878 -14.493 1.00 41.15 ATOM 1180 O THR 74 -26.244 7.296 -14.960 1.00 53.21 ATOM 1181 N GLU 75 -24.048 7.573 -14.552 1.00 73.32 ATOM 1182 HN GLU 75 -23.241 7.206 -14.131 1.00 37.06 ATOM 1183 CA GLU 75 -23.975 8.873 -15.223 1.00 12.05 ATOM 1184 HA GLU 75 -24.694 9.525 -14.743 1.00 3.12 ATOM 1185 CB GLU 75 -22.577 9.490 -15.071 1.00 72.35 ATOM 1186 HB1 GLU 75 -22.534 10.403 -15.651 1.00 37.06 ATOM 1187 HB2 GLU 75 -21.844 8.795 -15.459 1.00 63.10 ATOM 1188 CG GLU 75 -22.203 9.823 -13.631 1.00 14.43 ATOM 1189 HG1 GLU 75 -22.124 8.902 -13.070 1.00 37.06 ATOM 1190 HG2 GLU 75 -22.987 10.433 -13.203 1.00 23.34 ATOM 1191 CD GLU 75 -20.886 10.578 -13.523 1.00 3.13 ATOM 1192 OE1 GLU 75 -20.908 11.828 -13.523 1.00 54.23 ATOM 1193 OE2 GLU 75 -19.823 9.929 -13.438 1.00 43.23 ATOM 1194 C GLU 75 -24.344 8.756 -16.709 1.00 53.31 ATOM 1195 O GLU 75 -25.098 9.571 -17.228 1.00 41.14 ATOM 1196 N VAL 76 -23.817 7.731 -17.384 1.00 53.54 ATOM 1197 HN VAL 76 -23.180 7.137 -16.928 1.00 37.06 ATOM 1198 CA VAL 76 -24.153 7.473 -18.794 1.00 72.23 ATOM 1199 HA VAL 76 -23.918 8.368 -19.356 1.00 3.40 ATOM 1200 CB VAL 76 -23.315 6.302 -19.375 1.00 64.42 ATOM 1201 HB VAL 76 -23.529 5.416 -18.794 1.00 63.41 ATOM 1202 CG1 VAL 76 -23.699 6.020 -20.830 1.00 15.03 ATOM 1203 HG11 VAL 76 -23.514 6.899 -21.430 1.00 71.32 ATOM 1204 HG12 VAL 76 -24.748 5.765 -20.884 1.00 73.22 ATOM 1205 HG13 VAL 76 -23.110 5.196 -21.209 1.00 2.35 ATOM 1206 CG2 VAL 76 -21.820 6.599 -19.258 1.00 32.13 ATOM 1207 HG21 VAL 76 -21.570 6.794 -18.224 1.00 11.32 ATOM 1208 HG22 VAL 76 -21.573 7.466 -19.855 1.00 64.43 ATOM 1209 HG23 VAL 76 -21.253 5.749 -19.608 1.00 11.34 ATOM 1210 C VAL 76 -25.653 7.161 -18.965 1.00 4.11 ATOM 1211 O VAL 76 -26.306 7.673 -19.876 1.00 35.23 ATOM 1212 N ILE 77 -26.189 6.322 -18.076 1.00 55.45 ATOM 1213 HN ILE 77 -25.604 5.910 -17.405 1.00 37.06 ATOM 1214 CA ILE 77 -27.622 5.988 -18.074 1.00 54.13 ATOM 1215 HA ILE 77 -27.857 5.527 -19.025 1.00 73.52 ATOM 1216 CB ILE 77 -27.952 4.972 -16.945 1.00 24.20 ATOM 1217 HB ILE 77 -27.600 5.388 -16.012 1.00 72.33 ATOM 1218 CG1 ILE 77 -27.232 3.635 -17.195 1.00 63.40 ATOM 1219 HG11 ILE 77 -26.167 3.813 -17.260 1.00 37.06 ATOM 1220 HG12 ILE 77 -27.577 3.215 -18.129 1.00 21.43 ATOM 1221 CG2 ILE 77 -29.460 4.760 -16.816 1.00 14.35 ATOM 1222 HG21 ILE 77 -29.938 5.698 -16.571 1.00 72.33 ATOM 1223 HG22 ILE 77 -29.660 4.041 -16.035 1.00 34.24 ATOM 1224 HG23 ILE 77 -29.854 4.392 -17.752 1.00 51.23 ATOM 1225 CD1 ILE 77 -27.464 2.599 -16.111 1.00 5.01 ATOM 1226 HD11 ILE 77 -26.912 1.701 -16.349 1.00 43.31 ATOM 1227 HD12 ILE 77 -28.517 2.366 -16.052 1.00 20.11 ATOM 1228 HD13 ILE 77 -27.126 2.987 -15.160 1.00 61.31 ATOM 1229 C ILE 77 -28.496 7.247 -17.904 1.00 1.51 ATOM 1230 O ILE 77 -29.404 7.506 -18.701 1.00 13.44 ATOM 1231 N ASN 78 -28.213 8.025 -16.862 1.00 1.03 ATOM 1232 HN ASN 78 -27.502 7.750 -16.245 1.00 37.06 ATOM 1233 CA ASN 78 -28.934 9.277 -16.605 1.00 21.14 ATOM 1234 HA ASN 78 -29.992 9.047 -16.568 1.00 31.02 ATOM 1235 CB ASN 78 -28.508 9.864 -15.253 1.00 22.33 ATOM 1236 HB1 ASN 78 -28.967 10.834 -15.124 1.00 37.06 ATOM 1237 HB2 ASN 78 -27.432 9.976 -15.241 1.00 45.10 ATOM 1238 CG ASN 78 -28.911 8.983 -14.082 1.00 33.35 ATOM 1239 OD1 ASN 78 -29.929 8.295 -14.120 1.00 24.44 ATOM 1240 ND2 ASN 78 -28.120 8.991 -13.031 1.00 1.12 ATOM 1241 HD21 ASN 78 -27.320 9.555 -13.056 1.00 13.42 ATOM 1242 HD22 ASN 78 -28.367 8.431 -12.266 1.00 73.42 ATOM 1243 C ASN 78 -28.695 10.307 -17.724 1.00 33.10 ATOM 1244 O ASN 78 -29.578 11.105 -18.042 1.00 52.22 ATOM 1245 N PHE 79 -27.498 10.279 -18.312 1.00 24.34 ATOM 1246 HN PHE 79 -26.825 9.642 -17.987 1.00 37.06 ATOM 1247 CA PHE 79 -27.149 11.175 -19.421 1.00 33.34 ATOM 1248 HA PHE 79 -27.343 12.190 -19.098 1.00 41.20 ATOM 1249 CB PHE 79 -25.658 11.038 -19.765 1.00 51.30 ATOM 1250 HB1 PHE 79 -25.478 10.045 -20.153 1.00 37.06 ATOM 1251 HB2 PHE 79 -25.077 11.171 -18.863 1.00 44.33 ATOM 1252 CG PHE 79 -25.160 12.036 -20.783 1.00 44.01 ATOM 1253 CD1 PHE 79 -24.899 11.652 -22.092 1.00 45.44 ATOM 1254 HD1 PHE 79 -25.065 10.626 -22.388 1.00 51.40 ATOM 1255 CD2 PHE 79 -24.942 13.360 -20.424 1.00 70.21 ATOM 1256 HD2 PHE 79 -25.142 13.672 -19.409 1.00 74.21 ATOM 1257 CE1 PHE 79 -24.433 12.567 -23.018 1.00 25.35 ATOM 1258 HE1 PHE 79 -24.234 12.256 -24.033 1.00 50.22 ATOM 1259 CE2 PHE 79 -24.477 14.277 -21.347 1.00 3.41 ATOM 1260 HE2 PHE 79 -24.312 15.304 -21.053 1.00 52.53 ATOM 1261 CZ PHE 79 -24.221 13.880 -22.645 1.00 61.12 ATOM 1262 HZ PHE 79 -23.857 14.596 -23.370 1.00 2.33 ATOM 1263 C PHE 79 -28.010 10.874 -20.656 1.00 32.10 ATOM 1264 O PHE 79 -28.540 11.784 -21.286 1.00 14.15 ATOM 1265 N TRP 80 -28.151 9.588 -20.986 1.00 32.04 ATOM 1266 HN TRP 80 -27.653 8.912 -20.479 1.00 37.06 ATOM 1267 CA TRP 80 -29.023 9.153 -22.086 1.00 42.10 ATOM 1268 HA TRP 80 -28.617 9.546 -23.009 1.00 14.41 ATOM 1269 CB TRP 80 -29.041 7.617 -22.158 1.00 73.11 ATOM 1270 HB1 TRP 80 -29.404 7.224 -21.218 1.00 37.06 ATOM 1271 HB2 TRP 80 -28.033 7.261 -22.322 1.00 73.34 ATOM 1272 CG TRP 80 -29.908 7.069 -23.257 1.00 51.42 ATOM 1273 CD1 TRP 80 -29.531 6.798 -24.542 1.00 21.12 ATOM 1274 HD1 TRP 80 -28.535 6.952 -24.930 1.00 0.20 ATOM 1275 CD2 TRP 80 -31.295 6.722 -23.166 1.00 34.30 ATOM 1276 NE1 TRP 80 -30.597 6.301 -25.251 1.00 73.24 ATOM 1277 HE1 TRP 80 -30.575 6.030 -26.192 1.00 42.04 ATOM 1278 CE2 TRP 80 -31.690 6.247 -24.430 1.00 53.15 ATOM 1279 CE3 TRP 80 -32.239 6.767 -22.139 1.00 20.52 ATOM 1280 HE3 TRP 80 -31.977 7.128 -21.155 1.00 31.21 ATOM 1281 CZ2 TRP 80 -32.987 5.819 -24.690 1.00 0.02 ATOM 1282 HZ2 TRP 80 -33.281 5.452 -25.662 1.00 71.41 ATOM 1283 CZ3 TRP 80 -33.527 6.343 -22.400 1.00 21.44 ATOM 1284 HZ3 TRP 80 -34.271 6.372 -21.616 1.00 40.41 ATOM 1285 CH2 TRP 80 -33.891 5.873 -23.666 1.00 1.43 ATOM 1286 HH2 TRP 80 -34.911 5.551 -23.825 1.00 64.54 ATOM 1287 C TRP 80 -30.451 9.692 -21.897 1.00 13.33 ATOM 1288 O TRP 80 -31.056 10.242 -22.820 1.00 3.44 ATOM 1289 N GLN 81 -30.978 9.533 -20.684 1.00 24.43 ATOM 1290 HN GLN 81 -30.460 9.051 -20.003 1.00 37.06 ATOM 1291 CA GLN 81 -32.306 10.050 -20.337 1.00 23.42 ATOM 1292 HA GLN 81 -33.008 9.669 -21.068 1.00 42.53 ATOM 1293 CB GLN 81 -32.715 9.539 -18.944 1.00 53.12 ATOM 1294 HB1 GLN 81 -31.995 9.896 -18.219 1.00 37.06 ATOM 1295 HB2 GLN 81 -32.691 8.459 -18.952 1.00 31.11 ATOM 1296 CG GLN 81 -34.106 9.975 -18.490 1.00 22.24 ATOM 1297 HG1 GLN 81 -34.106 11.047 -18.348 1.00 37.06 ATOM 1298 HG2 GLN 81 -34.329 9.492 -17.549 1.00 1.52 ATOM 1299 CD GLN 81 -35.196 9.614 -19.489 1.00 71.15 ATOM 1300 OE1 GLN 81 -35.754 8.522 -19.456 1.00 62.21 ATOM 1301 NE2 GLN 81 -35.518 10.530 -20.380 1.00 73.22 ATOM 1302 HE21 GLN 81 -35.048 11.387 -20.355 1.00 23.23 ATOM 1303 HE22 GLN 81 -36.220 10.315 -21.027 1.00 51.32 ATOM 1304 C GLN 81 -32.330 11.589 -20.385 1.00 43.13 ATOM 1305 O GLN 81 -33.338 12.201 -20.748 1.00 5.11 ATOM 1306 N ASP 82 -31.204 12.202 -20.031 1.00 64.41 ATOM 1307 HN ASP 82 -30.450 11.657 -19.721 1.00 37.06 ATOM 1308 CA ASP 82 -31.046 13.658 -20.081 1.00 54.24 ATOM 1309 HA ASP 82 -31.850 14.102 -19.508 1.00 40.22 ATOM 1310 CB ASP 82 -29.699 14.037 -19.450 1.00 42.33 ATOM 1311 HB1 ASP 82 -28.915 13.916 -20.187 1.00 37.06 ATOM 1312 HB2 ASP 82 -29.502 13.373 -18.620 1.00 32.15 ATOM 1313 CG ASP 82 -29.662 15.461 -18.937 1.00 51.34 ATOM 1314 OD1 ASP 82 -29.506 16.391 -19.751 1.00 43.03 ATOM 1315 OD2 ASP 82 -29.774 15.656 -17.706 1.00 34.13 ATOM 1316 C ASP 82 -31.128 14.158 -21.541 1.00 53.14 ATOM 1317 O ASP 82 -31.715 15.203 -21.831 1.00 25.32 ATOM 1318 N LEU 83 -30.539 13.390 -22.456 1.00 33.24 ATOM 1319 HN LEU 83 -30.022 12.613 -22.156 1.00 37.06 ATOM 1320 CA LEU 83 -30.630 13.674 -23.892 1.00 55.31 ATOM 1321 HA LEU 83 -30.322 14.698 -24.057 1.00 22.21 ATOM 1322 CB LEU 83 -29.701 12.733 -24.678 1.00 74.00 ATOM 1323 HB1 LEU 83 -29.702 13.044 -25.714 1.00 37.06 ATOM 1324 HB2 LEU 83 -30.110 11.732 -24.625 1.00 44.40 ATOM 1325 CG LEU 83 -28.242 12.682 -24.195 1.00 42.24 ATOM 1326 HG LEU 83 -28.230 12.382 -23.158 1.00 44.10 ATOM 1327 CD1 LEU 83 -27.448 11.644 -24.983 1.00 53.32 ATOM 1328 HD11 LEU 83 -27.880 10.665 -24.829 1.00 74.34 ATOM 1329 HD12 LEU 83 -26.421 11.639 -24.642 1.00 61.31 ATOM 1330 HD13 LEU 83 -27.476 11.887 -26.035 1.00 73.24 ATOM 1331 CD2 LEU 83 -27.584 14.056 -24.290 1.00 0.02 ATOM 1332 HD21 LEU 83 -27.564 14.378 -25.322 1.00 40.30 ATOM 1333 HD22 LEU 83 -26.574 13.998 -23.910 1.00 53.22 ATOM 1334 HD23 LEU 83 -28.147 14.767 -23.703 1.00 51.40 ATOM 1335 C LEU 83 -32.073 13.492 -24.385 1.00 1.34 ATOM 1336 O LEU 83 -32.579 14.279 -25.190 1.00 33.22 ATOM 1337 N LYS 84 -32.721 12.441 -23.883 1.00 52.33 ATOM 1338 HN LYS 84 -32.251 11.865 -23.240 1.00 37.06 ATOM 1339 CA LYS 84 -34.098 12.098 -24.258 1.00 54.45 ATOM 1340 HA LYS 84 -34.119 11.962 -25.331 1.00 62.35 ATOM 1341 CB LYS 84 -34.500 10.769 -23.582 1.00 25.14 ATOM 1342 HB1 LYS 84 -35.386 10.934 -22.981 1.00 37.06 ATOM 1343 HB2 LYS 84 -33.698 10.457 -22.930 1.00 15.03 ATOM 1344 CG LYS 84 -34.791 9.622 -24.551 1.00 50.12 ATOM 1345 HG1 LYS 84 -34.868 8.700 -23.989 1.00 37.06 ATOM 1346 HG2 LYS 84 -33.976 9.543 -25.257 1.00 13.42 ATOM 1347 CD LYS 84 -36.092 9.841 -25.321 1.00 75.43 ATOM 1348 HD1 LYS 84 -35.996 10.732 -25.926 1.00 37.06 ATOM 1349 HD2 LYS 84 -36.899 9.972 -24.615 1.00 20.50 ATOM 1350 CE LYS 84 -36.420 8.660 -26.229 1.00 23.31 ATOM 1351 HE1 LYS 84 -36.414 7.755 -25.639 1.00 37.06 ATOM 1352 HE2 LYS 84 -35.664 8.590 -26.997 1.00 54.52 ATOM 1353 NZ LYS 84 -37.752 8.806 -26.875 1.00 5.41 ATOM 1354 HZ1 LYS 84 -37.799 9.697 -27.409 1.00 15.35 ATOM 1355 HZ2 LYS 84 -38.502 8.810 -26.152 1.00 40.32 ATOM 1356 HZ3 LYS 84 -37.921 8.013 -27.529 1.00 1.50 ATOM 1357 C LYS 84 -35.100 13.211 -23.888 1.00 33.52 ATOM 1358 O LYS 84 -35.921 13.614 -24.715 1.00 63.42 ATOM 1359 N ASN 85 -35.025 13.717 -22.655 1.00 60.11 ATOM 1360 HN ASN 85 -34.326 13.394 -22.046 1.00 37.06 ATOM 1361 CA ASN 85 -35.971 14.744 -22.194 1.00 24.53 ATOM 1362 HA ASN 85 -36.954 14.430 -22.524 1.00 52.22 ATOM 1363 CB ASN 85 -35.990 14.829 -20.654 1.00 52.00 ATOM 1364 HB1 ASN 85 -36.266 13.861 -20.257 1.00 37.06 ATOM 1365 HB2 ASN 85 -36.732 15.552 -20.351 1.00 21.02 ATOM 1366 CG ASN 85 -34.662 15.236 -20.037 1.00 25.41 ATOM 1367 OD1 ASN 85 -33.920 16.035 -20.587 1.00 54.11 ATOM 1368 ND2 ASN 85 -34.353 14.692 -18.878 1.00 24.13 ATOM 1369 HD21 ASN 85 -34.987 14.060 -18.476 1.00 53.13 ATOM 1370 HD22 ASN 85 -33.500 14.940 -18.468 1.00 12.51 ATOM 1371 C ASN 85 -35.682 16.116 -22.837 1.00 35.31 ATOM 1372 O ASN 85 -36.585 16.941 -22.995 1.00 43.23 ATOM 1373 N GLN 86 -34.423 16.362 -23.206 1.00 60.11 ATOM 1374 HN GLN 86 -33.712 15.741 -22.927 1.00 37.06 ATOM 1375 CA GLN 86 -34.067 17.565 -23.977 1.00 44.14 ATOM 1376 HA GLN 86 -34.695 18.374 -23.628 1.00 45.01 ATOM 1377 CB GLN 86 -32.600 17.949 -23.746 1.00 75.44 ATOM 1378 HB1 GLN 86 -32.321 18.707 -24.466 1.00 37.06 ATOM 1379 HB2 GLN 86 -31.982 17.075 -23.900 1.00 41.04 ATOM 1380 CG GLN 86 -32.319 18.493 -22.349 1.00 43.44 ATOM 1381 HG1 GLN 86 -32.508 17.712 -21.626 1.00 37.06 ATOM 1382 HG2 GLN 86 -32.982 19.324 -22.160 1.00 53.53 ATOM 1383 CD GLN 86 -30.886 18.969 -22.185 1.00 4.45 ATOM 1384 OE1 GLN 86 -30.565 20.122 -22.450 1.00 33.24 ATOM 1385 NE2 GLN 86 -30.014 18.091 -21.745 1.00 24.21 ATOM 1386 HE21 GLN 86 -30.328 17.181 -21.546 1.00 14.14 ATOM 1387 HE22 GLN 86 -29.092 18.383 -21.623 1.00 75.23 ATOM 1388 C GLN 86 -34.320 17.375 -25.483 1.00 44.43 ATOM 1389 O GLN 86 -34.117 18.300 -26.271 1.00 53.42 ATOM 1390 N ASN 87 -34.749 16.171 -25.871 1.00 33.42 ATOM 1391 HN ASN 87 -34.859 15.470 -25.196 1.00 37.06 ATOM 1392 CA ASN 87 -35.069 15.858 -27.272 1.00 72.33 ATOM 1393 HA ASN 87 -35.336 14.813 -27.318 1.00 63.32 ATOM 1394 CB ASN 87 -36.274 16.702 -27.728 1.00 73.41 ATOM 1395 HB1 ASN 87 -35.936 17.701 -27.967 1.00 37.06 ATOM 1396 HB2 ASN 87 -36.990 16.756 -26.920 1.00 70.15 ATOM 1397 CG ASN 87 -36.978 16.130 -28.946 1.00 31.33 ATOM 1398 OD1 ASN 87 -36.662 16.458 -30.083 1.00 5.11 ATOM 1399 ND2 ASN 87 -37.947 15.271 -28.717 1.00 55.02 ATOM 1400 HD21 ASN 87 -38.160 15.049 -27.785 1.00 21.13 ATOM 1401 HD22 ASN 87 -38.413 14.888 -29.485 1.00 61.42 ATOM 1402 C ASN 87 -33.849 16.091 -28.190 1.00 22.43 ATOM 1403 O ASN 87 -33.990 16.367 -29.379 1.00 11.53 ATOM 1404 N LYS 88 -32.647 15.947 -27.625 1.00 75.20 ATOM 1405 HN LYS 88 -32.598 15.691 -26.680 1.00 37.06 ATOM 1406 CA LYS 88 -31.396 16.161 -28.372 1.00 72.31 ATOM 1407 HA LYS 88 -31.411 17.178 -28.743 1.00 70.52 ATOM 1408 CB LYS 88 -30.190 16.003 -27.433 1.00 22.04 ATOM 1409 HB1 LYS 88 -29.307 15.807 -28.027 1.00 37.06 ATOM 1410 HB2 LYS 88 -30.366 15.158 -26.780 1.00 41.24 ATOM 1411 CG LYS 88 -29.915 17.229 -26.563 1.00 5.32 ATOM 1412 HG1 LYS 88 -30.824 17.498 -26.040 1.00 37.06 ATOM 1413 HG2 LYS 88 -29.610 18.049 -27.198 1.00 45.23 ATOM 1414 CD LYS 88 -28.814 16.960 -25.540 1.00 1.23 ATOM 1415 HD1 LYS 88 -28.020 16.402 -26.019 1.00 37.06 ATOM 1416 HD2 LYS 88 -29.224 16.374 -24.730 1.00 52.50 ATOM 1417 CE LYS 88 -28.232 18.248 -24.964 1.00 40.20 ATOM 1418 HE1 LYS 88 -27.595 17.999 -24.127 1.00 37.06 ATOM 1419 HE2 LYS 88 -29.041 18.878 -24.625 1.00 72.31 ATOM 1420 NZ LYS 88 -27.431 18.990 -25.974 1.00 21.13 ATOM 1421 HZ1 LYS 88 -28.017 19.220 -26.801 1.00 13.43 ATOM 1422 HZ2 LYS 88 -26.625 18.411 -26.288 1.00 24.34 ATOM 1423 HZ3 LYS 88 -27.067 19.872 -25.564 1.00 4.44 ATOM 1424 C LYS 88 -31.260 15.208 -29.575 1.00 74.32 ATOM 1425 O LYS 88 -30.792 15.612 -30.640 1.00 71.41 ATOM 1426 N GLN 89 -31.651 13.943 -29.381 1.00 64.21 ATOM 1427 HN GLN 89 -31.976 13.686 -28.494 1.00 37.06 ATOM 1428 CA GLN 89 -31.632 12.924 -30.453 1.00 70.43 ATOM 1429 HA GLN 89 -31.845 11.970 -29.993 1.00 12.04 ATOM 1430 CB GLN 89 -32.739 13.233 -31.481 1.00 52.33 ATOM 1431 HB1 GLN 89 -32.422 14.067 -32.090 1.00 37.06 ATOM 1432 HB2 GLN 89 -33.638 13.514 -30.951 1.00 52.52 ATOM 1433 CG GLN 89 -33.081 12.066 -32.410 1.00 35.04 ATOM 1434 HG1 GLN 89 -32.191 11.785 -32.957 1.00 37.06 ATOM 1435 HG2 GLN 89 -33.841 12.386 -33.108 1.00 12.10 ATOM 1436 CD GLN 89 -33.594 10.844 -31.658 1.00 10.52 ATOM 1437 OE1 GLN 89 -32.827 9.973 -31.264 1.00 4.22 ATOM 1438 NE2 GLN 89 -34.894 10.775 -31.444 1.00 2.53 ATOM 1439 HE21 GLN 89 -35.458 11.505 -31.773 1.00 21.24 ATOM 1440 HE22 GLN 89 -35.240 9.996 -30.966 1.00 11.35 ATOM 1441 C GLN 89 -30.247 12.834 -31.141 1.00 74.31 ATOM 1442 O GLN 89 -30.138 12.555 -32.339 1.00 63.00 ATOM 1443 N ILE 90 -29.188 13.048 -30.360 1.00 1.40 ATOM 1444 HN ILE 90 -29.332 13.216 -29.409 1.00 37.06 ATOM 1445 CA ILE 90 -27.816 13.043 -30.885 1.00 11.30 ATOM 1446 HA ILE 90 -27.814 13.588 -31.819 1.00 42.35 ATOM 1447 CB ILE 90 -26.844 13.753 -29.912 1.00 1.15 ATOM 1448 HB ILE 90 -25.850 13.713 -30.337 1.00 21.33 ATOM 1449 CG1 ILE 90 -26.838 13.036 -28.549 1.00 12.51 ATOM 1450 HG11 ILE 90 -26.635 11.984 -28.701 1.00 37.06 ATOM 1451 HG12 ILE 90 -27.808 13.144 -28.086 1.00 72.42 ATOM 1452 CG2 ILE 90 -27.229 15.224 -29.758 1.00 21.12 ATOM 1453 HG21 ILE 90 -26.537 15.711 -29.085 1.00 23.24 ATOM 1454 HG22 ILE 90 -28.229 15.295 -29.357 1.00 53.42 ATOM 1455 HG23 ILE 90 -27.193 15.711 -30.723 1.00 73.22 ATOM 1456 CD1 ILE 90 -25.809 13.567 -27.577 1.00 21.45 ATOM 1457 HD11 ILE 90 -26.010 14.608 -27.370 1.00 11.54 ATOM 1458 HD12 ILE 90 -24.822 13.469 -28.006 1.00 21.03 ATOM 1459 HD13 ILE 90 -25.857 13.003 -26.657 1.00 22.34 ATOM 1460 C ILE 90 -27.291 11.620 -31.141 1.00 74.50 ATOM 1461 O ILE 90 -27.573 10.688 -30.383 1.00 32.11 ATOM 1462 N SER 91 -26.503 11.465 -32.201 1.00 34.11 ATOM 1463 HN SER 91 -26.347 12.234 -32.792 1.00 37.06 ATOM 1464 CA SER 91 -25.884 10.174 -32.531 1.00 23.32 ATOM 1465 HA SER 91 -26.597 9.396 -32.294 1.00 13.42 ATOM 1466 CB SER 91 -25.558 10.107 -34.033 1.00 73.51 ATOM 1467 HB1 SER 91 -25.192 9.119 -34.278 1.00 37.06 ATOM 1468 HB2 SER 91 -24.800 10.839 -34.269 1.00 70.23 ATOM 1469 OG SER 91 -26.707 10.375 -34.826 1.00 11.30 ATOM 1470 HG SER 91 -26.429 10.645 -35.712 1.00 21.23 ATOM 1471 C SER 91 -24.609 9.941 -31.698 1.00 63.12 ATOM 1472 O SER 91 -23.506 9.868 -32.238 1.00 74.30 ATOM 1473 N MET 92 -24.775 9.875 -30.370 1.00 1.21 ATOM 1474 HN MET 92 -25.675 10.025 -30.005 1.00 37.06 ATOM 1475 CA MET 92 -23.672 9.566 -29.433 1.00 14.54 ATOM 1476 HA MET 92 -24.106 9.487 -28.447 1.00 55.35 ATOM 1477 CB MET 92 -23.046 8.206 -29.800 1.00 71.21 ATOM 1478 HB1 MET 92 -22.524 8.307 -30.741 1.00 37.06 ATOM 1479 HB2 MET 92 -23.839 7.481 -29.921 1.00 4.32 ATOM 1480 CG MET 92 -22.066 7.658 -28.769 1.00 21.52 ATOM 1481 HG1 MET 92 -22.582 7.539 -27.827 1.00 37.06 ATOM 1482 HG2 MET 92 -21.256 8.363 -28.646 1.00 51.23 ATOM 1483 SD MET 92 -21.374 6.062 -29.251 1.00 0.24 ATOM 1484 CE MET 92 -20.457 6.504 -30.726 1.00 0.32 ATOM 1485 HE1 MET 92 -19.975 5.624 -31.126 1.00 60.21 ATOM 1486 HE2 MET 92 -19.708 7.241 -30.477 1.00 51.14 ATOM 1487 HE3 MET 92 -21.132 6.912 -31.464 1.00 60.13 ATOM 1488 C MET 92 -22.580 10.668 -29.394 1.00 53.25 ATOM 1489 O MET 92 -21.608 10.564 -28.643 1.00 3.51 ATOM 1490 N ALA 93 -22.764 11.736 -30.175 1.00 11.04 ATOM 1491 HN ALA 93 -23.598 11.815 -30.675 1.00 37.06 ATOM 1492 CA ALA 93 -21.739 12.786 -30.322 1.00 60.30 ATOM 1493 HA ALA 93 -20.868 12.330 -30.775 1.00 43.22 ATOM 1494 CB ALA 93 -22.241 13.869 -31.273 1.00 63.12 ATOM 1495 HB1 ALA 93 -22.545 13.418 -32.206 1.00 21.32 ATOM 1496 HB2 ALA 93 -21.450 14.581 -31.459 1.00 51.22 ATOM 1497 HB3 ALA 93 -23.085 14.378 -30.829 1.00 11.40 ATOM 1498 C ALA 93 -21.315 13.414 -28.979 1.00 73.15 ATOM 1499 O ALA 93 -20.148 13.341 -28.596 1.00 74.33 ATOM 1500 N GLU 94 -22.261 14.012 -28.257 1.00 73.02 ATOM 1501 HN GLU 94 -23.175 14.045 -28.601 1.00 37.06 ATOM 1502 CA GLU 94 -21.957 14.649 -26.963 1.00 63.21 ATOM 1503 HA GLU 94 -21.141 15.339 -27.127 1.00 42.44 ATOM 1504 CB GLU 94 -23.171 15.437 -26.451 1.00 43.35 ATOM 1505 HB1 GLU 94 -22.924 15.872 -25.493 1.00 37.06 ATOM 1506 HB2 GLU 94 -24.000 14.756 -26.323 1.00 13.24 ATOM 1507 CG GLU 94 -23.608 16.559 -27.389 1.00 34.52 ATOM 1508 HG1 GLU 94 -23.829 16.134 -28.360 1.00 37.06 ATOM 1509 HG2 GLU 94 -22.794 17.263 -27.488 1.00 11.55 ATOM 1510 CD GLU 94 -24.836 17.307 -26.893 1.00 70.33 ATOM 1511 OE1 GLU 94 -24.684 18.286 -26.134 1.00 74.31 ATOM 1512 OE2 GLU 94 -25.962 16.940 -27.280 1.00 2.10 ATOM 1513 C GLU 94 -21.515 13.617 -25.916 1.00 4.51 ATOM 1514 O GLU 94 -20.711 13.918 -25.034 1.00 42.32 ATOM 1515 N ALA 95 -22.045 12.399 -26.022 1.00 64.30 ATOM 1516 HN ALA 95 -22.687 12.225 -26.737 1.00 37.06 ATOM 1517 CA ALA 95 -21.695 11.314 -25.098 1.00 21.12 ATOM 1518 HA ALA 95 -22.038 11.600 -24.114 1.00 75.11 ATOM 1519 CB ALA 95 -22.421 10.032 -25.495 1.00 42.15 ATOM 1520 HB1 ALA 95 -22.227 9.264 -24.759 1.00 0.32 ATOM 1521 HB2 ALA 95 -22.068 9.701 -26.462 1.00 15.01 ATOM 1522 HB3 ALA 95 -23.484 10.219 -25.547 1.00 61.01 ATOM 1523 C ALA 95 -20.176 11.079 -25.046 1.00 25.02 ATOM 1524 O ALA 95 -19.581 11.047 -23.970 1.00 61.43 ATOM 1525 N GLN 96 -19.551 10.941 -26.219 1.00 64.35 ATOM 1526 HN GLN 96 -20.082 10.959 -27.045 1.00 37.06 ATOM 1527 CA GLN 96 -18.094 10.756 -26.310 1.00 12.01 ATOM 1528 HA GLN 96 -17.833 9.939 -25.656 1.00 32.40 ATOM 1529 CB GLN 96 -17.691 10.389 -27.751 1.00 54.03 ATOM 1530 HB1 GLN 96 -16.620 10.492 -27.853 1.00 37.06 ATOM 1531 HB2 GLN 96 -18.170 11.081 -28.429 1.00 60.55 ATOM 1532 CG GLN 96 -18.075 8.969 -28.176 1.00 4.42 ATOM 1533 HG1 GLN 96 -18.161 8.946 -29.254 1.00 37.06 ATOM 1534 HG2 GLN 96 -19.033 8.727 -27.741 1.00 54.34 ATOM 1535 CD GLN 96 -17.074 7.892 -27.749 1.00 45.20 ATOM 1536 OE1 GLN 96 -16.914 6.882 -28.427 1.00 4.23 ATOM 1537 NE2 GLN 96 -16.393 8.081 -26.631 1.00 31.32 ATOM 1538 HE21 GLN 96 -16.547 8.895 -26.121 1.00 1.53 ATOM 1539 HE22 GLN 96 -15.764 7.385 -26.358 1.00 41.23 ATOM 1540 C GLN 96 -17.323 12.008 -25.855 1.00 11.31 ATOM 1541 O GLN 96 -16.162 11.922 -25.449 1.00 42.14 ATOM 1542 N GLY 97 -17.968 13.168 -25.938 1.00 33.25 ATOM 1543 HN GLY 97 -18.879 13.183 -26.296 1.00 37.06 ATOM 1544 CA GLY 97 -17.338 14.414 -25.510 1.00 62.12 ATOM 1545 HA1 GLY 97 -17.868 15.242 -25.959 1.00 37.06 ATOM 1546 HA2 GLY 97 -16.315 14.429 -25.862 1.00 52.21 ATOM 1547 C GLY 97 -17.340 14.595 -23.994 1.00 1.51 ATOM 1548 O GLY 97 -16.370 15.092 -23.416 1.00 35.13 ATOM 1549 N LYS 98 -18.435 14.194 -23.348 1.00 63.12 ATOM 1550 HN LYS 98 -19.179 13.820 -23.864 1.00 37.06 ATOM 1551 CA LYS 98 -18.563 14.309 -21.891 1.00 62.14 ATOM 1552 HA LYS 98 -18.064 15.221 -21.590 1.00 41.32 ATOM 1553 CB LYS 98 -20.054 14.408 -21.501 1.00 23.11 ATOM 1554 HB1 LYS 98 -20.522 13.449 -21.676 1.00 37.06 ATOM 1555 HB2 LYS 98 -20.527 15.143 -22.139 1.00 54.24 ATOM 1556 CG LYS 98 -20.321 14.811 -20.043 1.00 1.30 ATOM 1557 HG1 LYS 98 -21.316 15.231 -19.980 1.00 37.06 ATOM 1558 HG2 LYS 98 -19.599 15.560 -19.750 1.00 15.20 ATOM 1559 CD LYS 98 -20.224 13.628 -19.076 1.00 63.31 ATOM 1560 HD1 LYS 98 -19.240 13.189 -19.161 1.00 37.06 ATOM 1561 HD2 LYS 98 -20.967 12.892 -19.346 1.00 2.52 ATOM 1562 CE LYS 98 -20.450 14.047 -17.627 1.00 73.25 ATOM 1563 HE1 LYS 98 -20.494 13.160 -17.010 1.00 37.06 ATOM 1564 HE2 LYS 98 -21.389 14.575 -17.558 1.00 30.02 ATOM 1565 NZ LYS 98 -19.366 14.929 -17.121 1.00 55.22 ATOM 1566 HZ1 LYS 98 -18.440 14.461 -17.226 1.00 15.44 ATOM 1567 HZ2 LYS 98 -19.519 15.140 -16.115 1.00 34.43 ATOM 1568 HZ3 LYS 98 -19.352 15.823 -17.655 1.00 14.33 ATOM 1569 C LYS 98 -17.884 13.124 -21.182 1.00 13.31 ATOM 1570 O LYS 98 -17.326 13.282 -20.093 1.00 52.30 ATOM 1571 N PHE 99 -17.929 11.939 -21.796 1.00 31.34 ATOM 1572 HN PHE 99 -18.386 11.867 -22.662 1.00 37.06 ATOM 1573 CA PHE 99 -17.314 10.737 -21.209 1.00 62.24 ATOM 1574 HA PHE 99 -16.971 10.989 -20.214 1.00 62.24 ATOM 1575 CB PHE 99 -18.344 9.600 -21.105 1.00 64.42 ATOM 1576 HB1 PHE 99 -17.862 8.733 -20.677 1.00 37.06 ATOM 1577 HB2 PHE 99 -18.688 9.351 -22.099 1.00 4.14 ATOM 1578 CG PHE 99 -19.557 9.916 -20.266 1.00 3.04 ATOM 1579 CD1 PHE 99 -20.755 10.284 -20.864 1.00 62.53 ATOM 1580 HD1 PHE 99 -20.810 10.349 -21.942 1.00 70.12 ATOM 1581 CD2 PHE 99 -19.504 9.834 -18.881 1.00 22.13 ATOM 1582 HD2 PHE 99 -18.578 9.549 -18.401 1.00 33.10 ATOM 1583 CE1 PHE 99 -21.871 10.564 -20.101 1.00 14.53 ATOM 1584 HE1 PHE 99 -22.796 10.850 -20.580 1.00 43.34 ATOM 1585 CE2 PHE 99 -20.619 10.115 -18.112 1.00 45.54 ATOM 1586 HE2 PHE 99 -20.563 10.046 -17.034 1.00 42.40 ATOM 1587 CZ PHE 99 -21.804 10.480 -18.724 1.00 40.44 ATOM 1588 HZ PHE 99 -22.677 10.699 -18.125 1.00 42.24 ATOM 1589 C PHE 99 -16.105 10.248 -22.035 1.00 13.25 ATOM 1590 O PHE 99 -16.206 9.262 -22.770 1.00 63.40 ATOM 1591 N PRO 100 -14.934 10.910 -21.920 1.00 14.43 ATOM 1592 CA PRO 100 -13.733 10.517 -22.683 1.00 51.41 ATOM 1593 HA PRO 100 -13.942 10.454 -23.742 1.00 54.34 ATOM 1594 CB PRO 100 -12.753 11.670 -22.414 1.00 55.01 ATOM 1595 HB1 PRO 100 -12.844 12.414 -23.193 1.00 37.06 ATOM 1596 HB2 PRO 100 -11.739 11.293 -22.388 1.00 53.35 ATOM 1597 CG PRO 100 -13.173 12.216 -21.090 1.00 40.12 ATOM 1598 HG1 PRO 100 -12.892 13.257 -21.012 1.00 37.06 ATOM 1599 HG2 PRO 100 -12.716 11.643 -20.294 1.00 20.41 ATOM 1600 CD PRO 100 -14.673 12.072 -21.044 1.00 45.41 ATOM 1601 HD1 PRO 100 -15.151 12.961 -21.432 1.00 37.06 ATOM 1602 HD2 PRO 100 -15.004 11.877 -20.034 1.00 31.53 ATOM 1603 C PRO 100 -13.151 9.180 -22.200 1.00 54.53 ATOM 1604 O PRO 100 -12.543 8.434 -22.971 1.00 42.02 ATOM 1605 N GLU 101 -13.364 8.883 -20.918 1.00 23.40 ATOM 1606 HN GLU 101 -13.884 9.508 -20.370 1.00 37.06 ATOM 1607 CA GLU 101 -12.842 7.664 -20.294 1.00 15.42 ATOM 1608 HA GLU 101 -11.876 7.453 -20.733 1.00 50.42 ATOM 1609 CB GLU 101 -12.660 7.896 -18.786 1.00 12.31 ATOM 1610 HB1 GLU 101 -12.214 7.013 -18.347 1.00 37.06 ATOM 1611 HB2 GLU 101 -13.632 8.055 -18.339 1.00 21.30 ATOM 1612 CG GLU 101 -11.777 9.095 -18.453 1.00 25.10 ATOM 1613 HG1 GLU 101 -12.213 9.980 -18.897 1.00 37.06 ATOM 1614 HG2 GLU 101 -10.795 8.932 -18.875 1.00 64.32 ATOM 1615 CD GLU 101 -11.632 9.321 -16.957 1.00 43.12 ATOM 1616 OE1 GLU 101 -10.685 8.775 -16.355 1.00 53.52 ATOM 1617 OE2 GLU 101 -12.472 10.043 -16.373 1.00 21.14 ATOM 1618 C GLU 101 -13.764 6.456 -20.530 1.00 51.41 ATOM 1619 O GLU 101 -13.431 5.329 -20.159 1.00 1.32 ATOM 1620 N VAL 102 -14.924 6.690 -21.144 1.00 32.15 ATOM 1621 HN VAL 102 -15.139 7.605 -21.432 1.00 37.06 ATOM 1622 CA VAL 102 -15.883 5.614 -21.418 1.00 45.13 ATOM 1623 HA VAL 102 -15.598 4.754 -20.822 1.00 10.51 ATOM 1624 CB VAL 102 -17.324 6.024 -21.014 1.00 63.10 ATOM 1625 HB VAL 102 -17.603 6.892 -21.595 1.00 35.30 ATOM 1626 CG1 VAL 102 -18.319 4.907 -21.326 1.00 33.43 ATOM 1627 HG11 VAL 102 -18.040 4.012 -20.789 1.00 11.43 ATOM 1628 HG12 VAL 102 -18.314 4.705 -22.388 1.00 13.53 ATOM 1629 HG13 VAL 102 -19.311 5.212 -21.024 1.00 54.52 ATOM 1630 CG2 VAL 102 -17.384 6.405 -19.532 1.00 3.21 ATOM 1631 HG21 VAL 102 -18.399 6.666 -19.266 1.00 34.30 ATOM 1632 HG22 VAL 102 -16.738 7.252 -19.349 1.00 33.02 ATOM 1633 HG23 VAL 102 -17.059 5.569 -18.928 1.00 70.42 ATOM 1634 C VAL 102 -15.856 5.212 -22.902 1.00 21.24 ATOM 1635 O VAL 102 -15.961 6.059 -23.792 1.00 45.32 ATOM 1636 N VAL 103 -15.716 3.916 -23.165 1.00 2.35 ATOM 1637 HN VAL 103 -15.691 3.275 -22.422 1.00 37.06 ATOM 1638 CA VAL 103 -15.621 3.422 -24.538 1.00 10.31 ATOM 1639 HA VAL 103 -15.137 4.186 -25.135 1.00 64.13 ATOM 1640 CB VAL 103 -14.760 2.136 -24.613 1.00 32.52 ATOM 1641 HB VAL 103 -15.257 1.361 -24.043 1.00 23.25 ATOM 1642 CG1 VAL 103 -14.630 1.651 -26.057 1.00 0.41 ATOM 1643 HG11 VAL 103 -14.178 2.426 -26.658 1.00 44.00 ATOM 1644 HG12 VAL 103 -15.611 1.419 -26.450 1.00 25.13 ATOM 1645 HG13 VAL 103 -14.013 0.765 -26.088 1.00 3.01 ATOM 1646 CG2 VAL 103 -13.383 2.374 -23.991 1.00 32.41 ATOM 1647 HG21 VAL 103 -13.499 2.653 -22.953 1.00 25.15 ATOM 1648 HG22 VAL 103 -12.878 3.169 -24.522 1.00 13.12 ATOM 1649 HG23 VAL 103 -12.795 1.470 -24.055 1.00 35.35 ATOM 1650 C VAL 103 -17.012 3.141 -25.127 1.00 63.22 ATOM 1651 O VAL 103 -17.637 2.123 -24.828 1.00 2.14 ATOM 1652 N PHE 104 -17.494 4.050 -25.965 1.00 45.52 ATOM 1653 HN PHE 104 -16.982 4.871 -26.126 1.00 37.06 ATOM 1654 CA PHE 104 -18.776 3.863 -26.646 1.00 24.53 ATOM 1655 HA PHE 104 -19.419 3.299 -25.983 1.00 61.21 ATOM 1656 CB PHE 104 -19.435 5.216 -26.940 1.00 50.12 ATOM 1657 HB1 PHE 104 -20.314 5.055 -27.549 1.00 37.06 ATOM 1658 HB2 PHE 104 -18.739 5.836 -27.486 1.00 45.23 ATOM 1659 CG PHE 104 -19.858 5.972 -25.704 1.00 50.22 ATOM 1660 CD1 PHE 104 -18.957 6.771 -25.017 1.00 63.32 ATOM 1661 HD1 PHE 104 -17.940 6.849 -25.373 1.00 0.24 ATOM 1662 CD2 PHE 104 -21.162 5.883 -25.232 1.00 72.02 ATOM 1663 HD2 PHE 104 -21.874 5.263 -25.756 1.00 32.02 ATOM 1664 CE1 PHE 104 -19.344 7.466 -23.888 1.00 21.33 ATOM 1665 HE1 PHE 104 -18.629 8.083 -23.363 1.00 52.41 ATOM 1666 CE2 PHE 104 -21.553 6.577 -24.102 1.00 60.01 ATOM 1667 HE2 PHE 104 -22.569 6.500 -23.746 1.00 43.51 ATOM 1668 CZ PHE 104 -20.643 7.369 -23.430 1.00 3.04 ATOM 1669 HZ PHE 104 -20.947 7.913 -22.547 1.00 0.21 ATOM 1670 C PHE 104 -18.592 3.067 -27.946 1.00 21.12 ATOM 1671 O PHE 104 -17.620 3.264 -28.675 1.00 2.22 ATOM 1672 N SER 105 -19.525 2.165 -28.231 1.00 34.53 ATOM 1673 HN SER 105 -20.296 2.076 -27.634 1.00 37.06 ATOM 1674 CA SER 105 -19.440 1.312 -29.422 1.00 42.15 ATOM 1675 HA SER 105 -18.546 1.586 -29.966 1.00 31.14 ATOM 1676 CB SER 105 -19.334 -0.167 -29.012 1.00 44.43 ATOM 1677 HB1 SER 105 -19.252 -0.781 -29.897 1.00 37.06 ATOM 1678 HB2 SER 105 -20.220 -0.451 -28.462 1.00 2.41 ATOM 1679 OG SER 105 -18.193 -0.396 -28.191 1.00 15.12 ATOM 1680 HG SER 105 -18.281 0.113 -27.375 1.00 74.33 ATOM 1681 C SER 105 -20.653 1.514 -30.336 1.00 50.12 ATOM 1682 O SER 105 -21.780 1.163 -29.982 1.00 71.20 ATOM 1683 N GLY 106 -20.411 2.092 -31.508 1.00 54.52 ATOM 1684 HN GLY 106 -19.501 2.401 -31.707 1.00 37.06 ATOM 1685 CA GLY 106 -21.466 2.280 -32.499 1.00 60.33 ATOM 1686 HA1 GLY 106 -21.657 3.338 -32.603 1.00 37.06 ATOM 1687 HA2 GLY 106 -22.369 1.794 -32.156 1.00 41.22 ATOM 1688 C GLY 106 -21.092 1.713 -33.864 1.00 33.55 ATOM 1689 O GLY 106 -20.045 1.078 -34.019 1.00 1.52 ATOM 1690 N SER 107 -21.944 1.939 -34.860 1.00 33.03 ATOM 1691 HN SER 107 -22.781 2.413 -34.675 1.00 37.06 ATOM 1692 CA SER 107 -21.660 1.494 -36.231 1.00 44.13 ATOM 1693 HA SER 107 -20.586 1.514 -36.367 1.00 51.21 ATOM 1694 CB SER 107 -22.157 0.059 -36.459 1.00 32.33 ATOM 1695 HB1 SER 107 -23.238 0.042 -36.429 1.00 37.06 ATOM 1696 HB2 SER 107 -21.766 -0.582 -35.682 1.00 4.05 ATOM 1697 OG SER 107 -21.725 -0.436 -37.718 1.00 30.04 ATOM 1698 HG SER 107 -22.367 -1.077 -38.050 1.00 22.25 ATOM 1699 C SER 107 -22.294 2.439 -37.258 1.00 70.34 ATOM 1700 O SER 107 -23.512 2.446 -37.446 1.00 53.24 ATOM 1701 N ASN 108 -21.458 3.249 -37.905 1.00 72.15 ATOM 1702 HN ASN 108 -20.497 3.184 -37.716 1.00 37.06 ATOM 1703 CA ASN 108 -21.926 4.228 -38.894 1.00 71.41 ATOM 1704 HA ASN 108 -22.913 4.557 -38.598 1.00 33.41 ATOM 1705 CB ASN 108 -20.976 5.441 -38.914 1.00 52.32 ATOM 1706 HB1 ASN 108 -20.017 5.130 -39.304 1.00 37.06 ATOM 1707 HB2 ASN 108 -20.844 5.798 -37.904 1.00 11.53 ATOM 1708 CG ASN 108 -21.487 6.599 -39.765 1.00 34.43 ATOM 1709 OD1 ASN 108 -22.214 6.417 -40.734 1.00 43.34 ATOM 1710 ND2 ASN 108 -21.093 7.807 -39.420 1.00 35.32 ATOM 1711 HD21 ASN 108 -20.499 7.899 -38.648 1.00 32.41 ATOM 1712 HD22 ASN 108 -21.417 8.567 -39.949 1.00 1.43 ATOM 1713 C ASN 108 -22.011 3.591 -40.293 1.00 24.10 ATOM 1714 O ASN 108 -23.049 3.648 -40.954 1.00 31.21 ATOM 1715 N LEU 109 -20.915 2.972 -40.730 1.00 45.44 ATOM 1716 HN LEU 109 -20.134 2.912 -40.139 1.00 37.06 ATOM 1717 CA LEU 109 -20.848 2.360 -42.064 1.00 15.13 ATOM 1718 HA LEU 109 -21.474 2.941 -42.728 1.00 14.24 ATOM 1719 CB LEU 109 -19.403 2.381 -42.604 1.00 72.44 ATOM 1720 HB1 LEU 109 -19.381 1.811 -43.524 1.00 37.06 ATOM 1721 HB2 LEU 109 -18.768 1.883 -41.884 1.00 20.43 ATOM 1722 CG LEU 109 -18.804 3.773 -42.891 1.00 24.32 ATOM 1723 HG LEU 109 -19.519 4.350 -43.461 1.00 55.41 ATOM 1724 CD1 LEU 109 -18.519 4.536 -41.599 1.00 1.43 ATOM 1725 HD11 LEU 109 -19.438 4.667 -41.048 1.00 5.43 ATOM 1726 HD12 LEU 109 -18.102 5.504 -41.836 1.00 25.11 ATOM 1727 HD13 LEU 109 -17.814 3.980 -40.997 1.00 42.52 ATOM 1728 CD2 LEU 109 -17.533 3.645 -43.730 1.00 73.41 ATOM 1729 HD21 LEU 109 -17.769 3.167 -44.671 1.00 0.03 ATOM 1730 HD22 LEU 109 -16.804 3.051 -43.199 1.00 45.41 ATOM 1731 HD23 LEU 109 -17.127 4.628 -43.920 1.00 34.02 ATOM 1732 C LEU 109 -21.361 0.914 -42.044 1.00 52.42 ATOM 1733 O LEU 109 -21.483 0.295 -40.985 1.00 63.33 ATOM 1734 N GLU 110 -21.661 0.380 -43.222 1.00 1.45 ATOM 1735 HN GLU 110 -21.632 0.945 -44.023 1.00 37.06 ATOM 1736 CA GLU 110 -22.042 -1.027 -43.359 1.00 30.21 ATOM 1737 HA GLU 110 -22.613 -1.306 -42.481 1.00 42.05 ATOM 1738 CB GLU 110 -22.921 -1.212 -44.601 1.00 55.32 ATOM 1739 HB1 GLU 110 -23.120 -2.267 -44.737 1.00 37.06 ATOM 1740 HB2 GLU 110 -22.387 -0.840 -45.465 1.00 74.35 ATOM 1741 CG GLU 110 -24.254 -0.480 -44.511 1.00 34.34 ATOM 1742 HG1 GLU 110 -24.064 0.553 -44.247 1.00 37.06 ATOM 1743 HG2 GLU 110 -24.852 -0.940 -43.736 1.00 14.43 ATOM 1744 CD GLU 110 -25.035 -0.515 -45.813 1.00 0.44 ATOM 1745 OE1 GLU 110 -24.983 0.481 -46.568 1.00 2.44 ATOM 1746 OE2 GLU 110 -25.699 -1.540 -46.092 1.00 51.12 ATOM 1747 C GLU 110 -20.792 -1.919 -43.442 1.00 53.33 ATOM 1748 O GLU 110 -20.081 -1.923 -44.448 1.00 43.40 ATOM 1749 N HIS 111 -20.519 -2.660 -42.371 1.00 0.23 ATOM 1750 HN HIS 111 -21.152 -2.661 -41.619 1.00 37.06 ATOM 1751 CA HIS 111 -19.306 -3.484 -42.286 1.00 11.44 ATOM 1752 HA HIS 111 -19.001 -3.739 -43.291 1.00 31.32 ATOM 1753 CB HIS 111 -18.180 -2.684 -41.612 1.00 33.02 ATOM 1754 HB1 HIS 111 -17.996 -1.784 -42.181 1.00 37.06 ATOM 1755 HB2 HIS 111 -17.280 -3.281 -41.597 1.00 74.12 ATOM 1756 CG HIS 111 -18.491 -2.282 -40.200 1.00 41.15 ATOM 1757 ND1 HIS 111 -18.068 -3.000 -39.102 1.00 12.21 ATOM 1758 HD1 HIS 111 -17.521 -3.814 -39.123 1.00 60.55 ATOM 1759 CD2 HIS 111 -19.192 -1.232 -39.707 1.00 73.20 ATOM 1760 HD2 HIS 111 -19.671 -0.454 -40.283 1.00 22.51 ATOM 1761 CE1 HIS 111 -18.495 -2.413 -38.003 1.00 60.14 ATOM 1762 HE1 HIS 111 -18.311 -2.753 -36.995 1.00 21.20 ATOM 1763 NE2 HIS 111 -19.179 -1.341 -38.340 1.00 44.43 ATOM 1764 HE2 HIS 111 -19.745 -0.824 -37.728 1.00 37.06 ATOM 1765 C HIS 111 -19.560 -4.784 -41.507 1.00 61.20 ATOM 1766 O HIS 111 -20.702 -5.131 -41.210 1.00 45.35 ATOM 1767 N HIS 112 -18.485 -5.508 -41.198 1.00 52.22 ATOM 1768 HN HIS 112 -17.607 -5.226 -41.535 1.00 37.06 ATOM 1769 CA HIS 112 -18.573 -6.722 -40.380 1.00 10.02 ATOM 1770 HA HIS 112 -19.613 -7.008 -40.303 1.00 62.43 ATOM 1771 CB HIS 112 -17.785 -7.860 -41.035 1.00 74.12 ATOM 1772 HB1 HIS 112 -17.946 -8.770 -40.473 1.00 37.06 ATOM 1773 HB2 HIS 112 -16.732 -7.617 -41.015 1.00 35.54 ATOM 1774 CG HIS 112 -18.168 -8.125 -42.460 1.00 55.25 ATOM 1775 ND1 HIS 112 -17.546 -7.521 -43.534 1.00 54.55 ATOM 1776 HD1 HIS 112 -16.808 -6.875 -43.483 1.00 3.35 ATOM 1777 CD2 HIS 112 -19.113 -8.939 -42.988 1.00 23.42 ATOM 1778 HD2 HIS 112 -19.792 -9.575 -42.437 1.00 70.34 ATOM 1779 CE1 HIS 112 -18.092 -7.948 -44.654 1.00 12.24 ATOM 1780 HE1 HIS 112 -17.806 -7.648 -45.652 1.00 10.30 ATOM 1781 NE2 HIS 112 -19.044 -8.808 -44.353 1.00 22.21 ATOM 1782 HE2 HIS 112 -19.711 -9.154 -44.989 1.00 37.06 ATOM 1783 C HIS 112 -18.019 -6.469 -38.970 1.00 13.12 ATOM 1784 O HIS 112 -17.035 -5.746 -38.805 1.00 63.50 ATOM 1785 N HIS 113 -18.658 -7.048 -37.959 1.00 63.33 ATOM 1786 HN HIS 113 -19.499 -7.519 -38.136 1.00 37.06 ATOM 1787 CA HIS 113 -18.149 -6.980 -36.585 1.00 64.23 ATOM 1788 HA HIS 113 -17.735 -5.993 -36.433 1.00 31.35 ATOM 1789 CB HIS 113 -19.287 -7.206 -35.580 1.00 22.24 ATOM 1790 HB1 HIS 113 -19.673 -8.208 -35.701 1.00 37.06 ATOM 1791 HB2 HIS 113 -20.078 -6.498 -35.778 1.00 43.12 ATOM 1792 CG HIS 113 -18.868 -7.040 -34.146 1.00 3.12 ATOM 1793 ND1 HIS 113 -18.588 -8.103 -33.314 1.00 1.13 ATOM 1794 HD1 HIS 113 -18.622 -9.052 -33.563 1.00 64.44 ATOM 1795 CD2 HIS 113 -18.681 -5.925 -33.398 1.00 70.14 ATOM 1796 HD2 HIS 113 -18.812 -4.903 -33.726 1.00 43.35 ATOM 1797 CE1 HIS 113 -18.250 -7.652 -32.123 1.00 45.35 ATOM 1798 HE1 HIS 113 -17.984 -8.260 -31.272 1.00 14.53 ATOM 1799 NE2 HIS 113 -18.295 -6.336 -32.144 1.00 1.31 ATOM 1800 HE2 HIS 113 -17.888 -5.755 -31.463 1.00 37.06 ATOM 1801 C HIS 113 -17.041 -8.021 -36.371 1.00 11.33 ATOM 1802 O HIS 113 -16.102 -7.802 -35.606 1.00 23.11 ATOM 1803 N HIS 114 -17.166 -9.152 -37.055 1.00 14.43 ATOM 1804 HN HIS 114 -17.960 -9.276 -37.620 1.00 37.06 ATOM 1805 CA HIS 114 -16.167 -10.224 -37.000 1.00 21.23 ATOM 1806 HA HIS 114 -15.778 -10.269 -35.992 1.00 14.23 ATOM 1807 CB HIS 114 -16.843 -11.563 -37.336 1.00 4.50 ATOM 1808 HB1 HIS 114 -17.288 -11.495 -38.320 1.00 37.06 ATOM 1809 HB2 HIS 114 -17.622 -11.750 -36.612 1.00 21.30 ATOM 1810 CG HIS 114 -15.919 -12.745 -37.326 1.00 73.52 ATOM 1811 ND1 HIS 114 -15.477 -13.372 -38.472 1.00 53.41 ATOM 1812 HD1 HIS 114 -15.707 -13.116 -39.393 1.00 24.40 ATOM 1813 CD2 HIS 114 -15.363 -13.425 -36.296 1.00 25.41 ATOM 1814 HD2 HIS 114 -15.493 -13.212 -35.244 1.00 33.45 ATOM 1815 CE1 HIS 114 -14.693 -14.379 -38.149 1.00 1.32 ATOM 1816 HE1 HIS 114 -14.206 -15.049 -38.842 1.00 74.43 ATOM 1817 NE2 HIS 114 -14.605 -14.435 -36.836 1.00 42.04 ATOM 1818 HE2 HIS 114 -13.927 -14.951 -36.349 1.00 37.06 ATOM 1819 C HIS 114 -15.008 -9.947 -37.976 1.00 53.21 ATOM 1820 O HIS 114 -15.220 -9.403 -39.061 1.00 51.10 ATOM 1821 N HIS 115 -13.787 -10.306 -37.582 1.00 50.51 ATOM 1822 HN HIS 115 -13.668 -10.691 -36.688 1.00 37.06 ATOM 1823 CA HIS 115 -12.612 -10.123 -38.443 1.00 73.41 ATOM 1824 HA HIS 115 -12.583 -9.081 -38.730 1.00 73.24 ATOM 1825 CB HIS 115 -11.322 -10.456 -37.680 1.00 44.03 ATOM 1826 HB1 HIS 115 -10.512 -10.589 -38.385 1.00 37.06 ATOM 1827 HB2 HIS 115 -11.465 -11.375 -37.131 1.00 54.24 ATOM 1828 CG HIS 115 -10.911 -9.398 -36.701 1.00 23.40 ATOM 1829 ND1 HIS 115 -10.597 -8.111 -37.078 1.00 21.34 ATOM 1830 HD1 HIS 115 -10.630 -7.758 -37.993 1.00 43.32 ATOM 1831 CD2 HIS 115 -10.753 -9.440 -35.357 1.00 32.12 ATOM 1832 HD2 HIS 115 -10.917 -10.297 -34.720 1.00 24.15 ATOM 1833 CE1 HIS 115 -10.264 -7.410 -36.015 1.00 62.44 ATOM 1834 HE1 HIS 115 -9.969 -6.371 -36.013 1.00 11.31 ATOM 1835 NE2 HIS 115 -10.348 -8.189 -34.956 1.00 34.32 ATOM 1836 HE2 HIS 115 -9.958 -7.979 -34.085 1.00 37.06 ATOM 1837 C HIS 115 -12.695 -10.971 -39.724 1.00 4.34 ATOM 1838 O HIS 115 -13.370 -12.003 -39.766 1.00 72.31 ATOM 1839 N HIS 116 -11.989 -10.526 -40.760 1.00 72.23 ATOM 1840 HN HIS 116 -11.457 -9.710 -40.651 1.00 37.06 ATOM 1841 HA HIS 116 -12.730 -11.990 -42.022 1.00 63.24 ATOM 1842 CB HIS 116 -12.313 -10.245 -43.196 1.00 51.22 ATOM 1843 HB1 HIS 116 -13.379 -10.060 -43.187 1.00 37.06 ATOM 1844 HB2 HIS 116 -12.047 -10.695 -44.142 1.00 22.14 ATOM 1845 CG HIS 116 -11.616 -8.918 -43.108 1.00 30.14 ATOM 1846 ND1 HIS 116 -10.350 -8.697 -43.604 1.00 64.23 ATOM 1847 HD1 HIS 116 -9.780 -9.368 -44.034 1.00 51.53 ATOM 1848 CD2 HIS 116 -12.018 -7.735 -42.582 1.00 43.03 ATOM 1849 HD2 HIS 116 -12.967 -7.536 -42.100 1.00 74.23 ATOM 1850 CE1 HIS 116 -10.005 -7.445 -43.390 1.00 12.30 ATOM 1851 HE1 HIS 116 -9.068 -6.989 -43.677 1.00 51.03 ATOM 1852 NE2 HIS 116 -10.996 -6.838 -42.772 1.00 20.21 ATOM 1853 HE2 HIS 116 -11.068 -5.868 -42.653 1.00 37.06 ATOM 1854 CA HIS 116 -11.967 -11.222 -42.055 1.00 75.20 ATOM 1855 C HIS 116 -10.607 -11.910 -42.306 1.00 73.15 ATOM 1856 OT1 HIS 116 -9.644 -11.228 -42.723 1.00 37.06 ATOM 1857 OT2 HIS 116 -10.510 -13.138 -42.091 1.00 37.06 ATOM 1858 OH2 TIP3 1 -35.959 -9.971 -31.293 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -35.541 -10.836 -31.294 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -35.455 -9.460 -30.624 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -30.436 -9.921 -21.012 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -30.831 -10.433 -20.273 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -31.216 -9.571 -21.499 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -31.599 -5.786 -21.644 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -31.934 -5.960 -22.548 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -30.850 -6.417 -21.543 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -34.374 -10.380 -23.370 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -33.693 -9.882 -22.870 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -35.070 -10.543 -22.725 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -34.466 -8.455 -29.562 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -33.745 -8.536 -30.231 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -34.398 -7.532 -29.258 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -31.404 -7.839 -26.385 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -32.103 -8.526 -26.230 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -30.565 -8.298 -26.167 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -33.340 -9.601 -25.777 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -33.657 -9.997 -24.937 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -34.121 -9.657 -26.372 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -28.644 -13.264 -21.554 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -28.362 -12.333 -21.482 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -28.029 -13.648 -22.188 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -32.538 -8.383 -31.428 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -32.265 -7.864 -32.189 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -31.721 -8.858 -31.154 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -35.392 -6.318 -24.042 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -36.036 -7.051 -24.146 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -35.072 -6.413 -23.115 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -38.147 -9.640 -28.369 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -39.017 -10.043 -28.420 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -38.117 -9.032 -29.134 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -37.235 -8.347 -24.342 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -36.822 -8.990 -24.940 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -37.554 -8.893 -23.584 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -35.616 -9.593 -27.315 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -35.209 -9.261 -28.140 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -36.561 -9.716 -27.550 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -32.585 -8.723 -22.194 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -32.278 -8.212 -22.968 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -33.245 -8.132 -21.772 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -36.597 -10.776 -13.957 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -36.119 -11.152 -13.175 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -37.187 -10.088 -13.567 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -32.694 -12.318 -13.774 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -32.093 -12.673 -14.469 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -32.114 -12.250 -12.979 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -34.855 -11.708 -12.131 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -34.076 -12.019 -12.627 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -34.508 -11.535 -11.227 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -30.455 -13.741 -19.605 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -29.772 -13.523 -20.287 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -30.841 -14.566 -19.915 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -31.047 -8.426 -3.061 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -31.158 -8.247 -2.114 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -30.088 -8.284 -3.218 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -37.771 -11.756 -16.417 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -37.503 -11.293 -15.598 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -37.503 -12.673 -16.268 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -34.088 -11.318 -17.572 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -33.599 -10.716 -16.973 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -34.508 -11.965 -16.963 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -34.997 -12.583 -15.335 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -35.612 -12.006 -14.842 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -34.243 -12.700 -14.727 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -29.788 -10.826 -0.123 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -29.762 -9.852 -0.105 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -30.469 -11.036 -0.799 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -30.525 -12.654 -15.330 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -29.803 -12.737 -14.667 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -30.262 -11.880 -15.877 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -30.625 -12.212 -12.061 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -30.691 -12.473 -11.112 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -29.836 -12.693 -12.390 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -31.770 -11.370 -19.092 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -31.471 -12.293 -19.240 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -32.679 -11.464 -18.732 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -39.884 -11.500 -20.928 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -40.519 -12.219 -20.918 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -39.778 -11.262 -19.977 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -27.693 -9.500 -5.461 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -28.402 -8.922 -5.801 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -27.175 -9.737 -6.268 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -31.056 -12.552 -9.407 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -31.975 -12.232 -9.490 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -30.581 -11.807 -8.988 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -29.174 -12.118 -3.983 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -29.600 -11.686 -4.758 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -28.638 -12.840 -4.382 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -32.707 -10.100 -15.512 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -32.691 -10.788 -14.815 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -31.776 -10.011 -15.779 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -30.447 -10.898 -6.072 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -30.024 -10.751 -6.945 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -30.904 -10.056 -5.884 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -36.565 -10.512 -18.632 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -37.049 -10.996 -17.937 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -35.625 -10.670 -18.420 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -31.234 -11.131 -2.411 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -30.611 -11.657 -2.951 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -31.315 -10.290 -2.890 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -27.497 1.407 -46.876 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -27.439 2.363 -46.712 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -26.558 1.096 -46.818 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -29.785 6.224 -43.762 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -29.633 5.249 -43.765 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -30.680 6.326 -43.367 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -34.216 11.265 -38.930 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -34.431 11.508 -38.010 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -33.822 12.075 -39.308 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -29.089 3.624 -44.024 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -28.471 3.347 -44.717 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -29.298 2.793 -43.543 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -32.997 4.709 -40.619 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -33.584 4.258 -39.991 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -32.157 4.830 -40.116 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -31.913 0.430 -43.394 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -31.854 0.344 -44.346 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -31.032 0.757 -43.128 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -27.020 4.129 -46.055 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -26.174 4.355 -46.476 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -27.549 4.955 -46.119 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -29.291 1.158 -42.857 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -28.808 0.538 -43.458 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -28.857 1.048 -42.003 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -32.555 9.121 -39.134 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -32.818 8.508 -38.419 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -33.279 9.789 -39.158 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -35.080 1.996 -31.064 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -34.237 2.492 -31.080 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -35.745 2.651 -31.348 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -40.933 0.565 -28.016 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -41.105 0.449 -27.059 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -40.485 -0.268 -28.277 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -40.274 5.589 -27.203 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -39.319 5.766 -27.312 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -40.411 4.733 -27.669 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -37.579 3.191 -28.757 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -38.562 3.228 -28.785 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -37.386 2.556 -28.041 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -36.909 -2.692 -31.214 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -36.282 -3.434 -31.037 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -36.440 -1.899 -30.885 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -40.874 0.010 -25.209 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -41.546 0.405 -24.605 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -40.645 -0.839 -24.783 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -36.978 1.675 -26.500 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -37.078 0.695 -26.576 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -37.710 1.939 -25.901 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -39.138 2.089 -24.803 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -39.666 2.522 -24.098 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -39.728 1.369 -25.131 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -37.932 -8.184 -30.727 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -37.379 -7.517 -31.187 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -37.527 -9.038 -30.988 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -36.518 -2.947 -33.954 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -35.556 -2.795 -33.827 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -36.896 -2.817 -33.063 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -35.691 -0.469 -30.093 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -35.396 0.387 -30.494 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -36.467 -0.225 -29.571 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -40.308 3.266 -28.673 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -40.860 3.519 -29.437 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -40.626 2.369 -28.433 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -37.675 6.129 -27.877 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -37.765 5.799 -28.792 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -37.156 5.429 -27.421 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -37.866 4.634 -24.368 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -38.329 3.800 -24.544 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -37.160 4.663 -25.043 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -37.714 -3.217 -36.427 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -37.349 -3.045 -35.535 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -37.436 -2.441 -36.954 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -41.201 5.213 -24.614 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -41.583 6.080 -24.371 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -40.891 5.338 -25.534 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -36.691 10.110 -34.653 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -36.253 10.875 -35.060 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -36.042 9.376 -34.768 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -42.265 4.326 -30.475 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -42.579 3.395 -30.369 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -42.917 4.850 -29.999 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -34.369 5.522 -37.567 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -35.180 5.566 -37.016 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -34.414 4.639 -37.989 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -32.796 7.561 -36.866 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -33.333 6.790 -37.187 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -31.865 7.233 -36.902 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -38.631 -5.815 -24.645 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -39.278 -5.511 -23.973 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -38.374 -6.708 -24.342 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -36.615 -0.985 -37.667 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -35.832 -1.031 -38.226 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -36.583 -0.105 -37.283 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -39.255 -3.206 -26.009 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -39.074 -4.141 -25.804 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -39.636 -2.850 -25.178 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -37.529 -5.854 -36.978 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -38.037 -6.038 -37.768 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -37.651 -4.887 -36.831 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -39.417 -3.575 -30.638 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -38.520 -3.255 -30.894 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -39.943 -3.470 -31.439 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -39.630 -1.870 -28.415 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -39.632 -2.458 -27.624 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -39.635 -2.491 -29.173 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -37.646 -0.943 -26.741 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -38.293 -1.048 -27.466 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -37.916 -1.612 -26.089 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -37.852 4.676 -33.849 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -38.795 4.468 -33.748 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -37.448 4.347 -33.023 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -36.071 4.371 -26.401 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -36.227 3.409 -26.484 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -35.138 4.487 -26.679 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -36.514 5.971 -35.887 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -37.253 6.252 -36.476 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -36.958 5.450 -35.180 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -38.945 1.641 -21.138 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -39.517 2.209 -21.690 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -38.785 2.175 -20.332 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -30.920 0.392 -36.476 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -30.722 -0.390 -35.950 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -30.691 1.151 -35.876 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -38.843 6.161 -30.617 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -38.967 7.015 -30.167 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -39.397 6.233 -31.421 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -37.024 4.126 -31.238 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -37.581 4.926 -31.130 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -37.113 3.661 -30.377 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -41.009 10.139 -34.608 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -41.133 9.977 -33.651 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -41.024 11.115 -34.690 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -30.248 6.630 -36.943 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -29.321 6.891 -36.985 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -30.250 5.835 -36.346 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -41.767 1.678 -32.737 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -41.889 1.373 -33.640 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -41.352 2.560 -32.836 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -36.383 -5.718 -34.492 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -36.746 -5.942 -35.377 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -36.447 -4.747 -34.448 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -38.601 6.971 -37.269 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -38.825 7.490 -36.464 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -39.024 7.450 -37.985 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -42.565 1.694 -30.084 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -42.297 1.417 -30.986 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -42.097 1.078 -29.492 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -35.938 -6.915 -32.136 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -36.091 -6.513 -33.030 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -35.514 -7.763 -32.328 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -40.117 6.991 -32.952 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -39.638 7.290 -33.754 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -40.581 7.796 -32.640 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -39.475 8.345 -24.611 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -40.438 8.177 -24.505 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -39.064 7.809 -23.896 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -32.288 6.332 -42.650 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -33.040 6.208 -43.237 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -32.494 5.753 -41.873 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -30.760 5.042 -39.166 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -30.731 5.760 -38.510 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -30.052 4.432 -38.883 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -40.542 3.382 -22.764 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -40.848 3.999 -23.478 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -40.348 3.980 -22.004 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -34.461 3.060 -38.851 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -35.026 2.630 -39.500 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -33.885 2.335 -38.516 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -42.289 1.280 -23.248 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -42.732 1.058 -22.423 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -41.801 2.102 -23.046 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -32.911 0.864 -38.365 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -32.366 0.766 -39.156 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -32.289 0.701 -37.624 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -40.088 -2.304 -23.539 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -40.321 -3.229 -23.288 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -39.816 -1.896 -22.702 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -40.469 -4.870 -22.691 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -41.192 -4.548 -22.106 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -40.225 -5.745 -22.310 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -37.530 0.386 -23.276 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -37.903 0.697 -22.435 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -38.021 0.880 -23.949 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -42.414 -3.803 -21.056 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -43.371 -3.878 -21.029 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -42.224 -2.969 -20.572 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -39.642 -7.312 -21.839 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -39.446 -8.165 -22.260 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -39.296 -7.413 -20.939 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -39.298 -0.982 -20.461 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -38.459 -1.234 -20.053 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -39.179 -0.034 -20.688 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -38.200 -9.711 -22.145 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -37.971 -9.310 -21.282 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -38.781 -10.469 -21.906 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -38.146 -8.508 -19.622 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -37.527 -9.213 -19.307 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -38.833 -8.469 -18.923 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -38.939 8.469 -35.011 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -38.165 9.064 -34.926 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -39.715 9.077 -34.971 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -28.946 3.552 -37.724 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -29.535 3.708 -36.948 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -28.076 3.862 -37.423 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -29.341 1.020 -38.730 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -29.907 0.725 -37.992 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -29.205 1.979 -38.557 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -33.876 -2.152 -28.913 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -34.508 -1.609 -29.433 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -33.523 -1.524 -28.243 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -34.027 -2.317 -32.987 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -33.542 -2.793 -32.282 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -34.171 -1.438 -32.622 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -32.285 -3.037 -30.954 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -31.577 -3.619 -30.605 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -32.840 -2.838 -30.167 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -42.116 7.789 -24.127 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -42.630 8.179 -24.878 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -42.621 8.035 -23.343 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -32.496 -6.712 -24.108 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -33.454 -6.622 -24.277 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -32.124 -6.977 -24.974 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -43.233 8.871 -26.333 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -43.861 9.399 -26.835 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -42.523 8.660 -26.976 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -40.752 4.304 -32.791 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -41.290 4.331 -31.970 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -40.625 5.247 -33.020 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -41.109 8.130 -27.917 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -40.350 8.264 -28.515 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -41.008 7.200 -27.609 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -38.216 -5.782 -29.371 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -38.344 -6.613 -29.871 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -38.782 -5.133 -29.833 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -33.312 -5.958 -29.000 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -33.278 -5.782 -28.054 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -32.439 -6.352 -29.201 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -30.135 -4.545 -30.107 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -30.404 -5.403 -29.708 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -29.416 -4.238 -29.542 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -35.324 -4.795 -30.552 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -35.584 -5.548 -31.135 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -34.512 -5.113 -30.103 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -34.924 8.085 -35.152 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -35.534 7.342 -35.351 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -34.168 7.935 -35.747 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -34.275 -6.671 -21.634 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -34.956 -6.635 -20.916 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -33.521 -6.162 -21.278 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -35.932 1.310 -12.133 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -36.108 2.266 -12.209 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -36.444 0.919 -12.865 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -33.773 -0.496 -11.783 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -34.212 -1.242 -12.241 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -34.443 0.217 -11.795 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -31.918 0.458 -14.918 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -32.860 0.161 -14.947 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -31.970 1.411 -15.052 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -35.464 7.500 -9.855 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -36.041 7.116 -10.543 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -34.555 7.324 -10.180 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -34.527 -5.144 -10.378 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -35.159 -4.579 -10.836 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -34.247 -5.789 -11.055 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -37.862 0.479 -14.044 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -37.622 -0.376 -14.451 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -38.444 0.228 -13.301 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -36.999 3.980 -11.947 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -37.905 3.933 -12.265 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -36.757 4.929 -12.052 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -34.444 7.083 -7.290 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -34.934 7.199 -8.127 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -34.962 6.410 -6.801 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -32.555 -8.670 -11.232 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -33.065 -7.927 -11.612 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -31.776 -8.243 -10.822 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -34.365 7.851 -13.205 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -34.490 8.752 -12.829 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -33.528 7.915 -13.709 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -32.962 1.603 -6.331 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -33.558 2.221 -6.816 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -32.683 2.110 -5.542 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -34.604 -0.310 -14.961 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -35.215 -0.439 -15.712 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -34.883 -0.979 -14.309 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -34.002 -4.370 -7.825 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -34.617 -3.606 -7.853 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -34.060 -4.750 -8.733 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -36.205 2.607 -9.645 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -36.472 3.273 -10.306 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -36.016 1.813 -10.174 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -31.293 6.388 -3.906 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -31.427 6.722 -4.821 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -31.313 7.179 -3.361 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -36.590 6.652 -12.270 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -35.682 6.865 -12.584 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -37.109 7.460 -12.489 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -32.350 -3.229 -5.847 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -32.418 -4.000 -5.268 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -32.766 -3.526 -6.685 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -33.485 -6.483 -6.185 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -34.399 -6.633 -5.929 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -33.536 -5.745 -6.835 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -36.262 -6.476 -19.867 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -36.605 -5.561 -19.883 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -37.047 -7.027 -19.688 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -36.667 -2.095 -10.926 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -36.116 -2.113 -10.119 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -36.027 -2.245 -11.658 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -38.944 -1.021 -11.917 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -38.113 -1.307 -11.462 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -39.630 -1.161 -11.259 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -37.876 -8.646 -12.843 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -37.649 -7.905 -13.442 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -38.163 -8.214 -12.033 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -33.981 -6.688 -12.627 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -34.213 -7.441 -13.215 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -34.376 -5.908 -13.075 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -38.287 -6.300 -16.742 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -37.839 -6.510 -15.898 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -37.941 -5.426 -16.980 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -37.656 -2.283 -14.074 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -38.212 -2.071 -13.301 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -36.782 -2.519 -13.683 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -38.602 3.277 -18.748 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -38.742 4.039 -18.148 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -38.307 2.554 -18.147 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -34.644 3.360 -7.568 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -35.265 3.039 -8.265 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -35.182 3.979 -7.032 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -31.877 7.232 -6.457 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -32.835 7.148 -6.681 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -31.491 6.375 -6.738 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -31.212 -0.873 -12.700 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -31.411 -0.318 -13.482 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -32.000 -0.759 -12.124 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -37.771 1.430 -16.806 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -37.275 0.609 -16.998 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -37.898 1.406 -15.841 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -38.638 6.565 -22.667 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -38.359 5.833 -23.271 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -39.116 6.108 -21.946 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -41.301 5.931 -18.601 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -40.538 5.740 -18.013 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -41.847 6.535 -18.091 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -32.943 -10.656 -7.276 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -32.236 -11.232 -6.935 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -32.837 -9.833 -6.772 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -35.125 7.665 -15.818 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -34.173 7.679 -16.028 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -35.149 7.530 -14.849 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -36.780 -3.769 -16.152 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -37.373 -3.196 -15.622 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -36.180 -4.161 -15.487 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -30.496 -9.604 -12.884 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -31.340 -9.352 -12.462 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -30.394 -10.553 -12.662 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -39.047 5.502 -17.091 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -38.406 6.211 -17.350 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -38.932 5.419 -16.137 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -39.923 -8.325 -17.512 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -40.776 -8.039 -17.172 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -39.298 -7.617 -17.219 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -31.817 -8.559 -5.649 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -31.702 -8.490 -4.671 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -32.412 -7.804 -5.874 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -32.730 7.168 -10.112 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -32.702 7.792 -9.363 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -32.717 6.275 -9.684 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -36.952 8.547 -21.971 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -37.544 7.795 -22.198 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -36.532 8.276 -21.135 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -39.818 4.945 -20.670 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -40.465 5.379 -20.067 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -39.276 4.390 -20.073 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -41.914 -1.426 -19.780 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -40.985 -1.312 -20.086 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -41.940 -0.971 -18.936 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -36.362 -0.971 -17.087 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -36.539 -1.927 -17.013 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -36.176 -0.835 -18.037 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -37.190 7.408 -17.572 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -36.742 7.727 -18.386 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -36.480 7.423 -16.890 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -30.279 7.603 -11.354 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -31.175 7.343 -11.040 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -30.360 7.618 -12.323 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -30.734 4.754 -6.831 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -30.213 4.423 -6.072 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -30.052 5.020 -7.496 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -35.612 5.150 -5.718 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -34.808 4.986 -5.164 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -36.333 5.173 -5.084 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -35.600 -2.180 -8.304 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -36.388 -1.767 -7.937 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -34.854 -1.647 -7.929 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -28.221 -3.466 -4.275 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -28.896 -2.889 -4.702 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -28.494 -3.505 -3.354 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -22.745 -10.587 0.160 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -23.682 -10.662 -0.119 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -22.720 -9.760 0.694 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -29.381 -7.508 -6.401 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -29.601 -6.725 -6.955 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -30.248 -7.931 -6.236 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -32.379 8.165 -15.099 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -31.445 8.080 -14.816 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -32.513 9.134 -15.197 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -29.885 -8.123 -10.605 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -29.119 -7.537 -10.516 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -29.769 -8.541 -11.482 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -36.744 -6.717 -14.485 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -36.017 -7.366 -14.598 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -36.285 -5.886 -14.215 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -33.390 -11.039 -9.932 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -33.395 -10.874 -8.960 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -33.112 -10.182 -10.319 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -34.741 -8.622 -14.402 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -34.008 -9.033 -14.912 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -35.306 -9.377 -14.149 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -30.144 -10.596 -17.052 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -30.125 -9.612 -17.116 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -30.696 -10.872 -17.818 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -39.781 -10.998 -18.249 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -39.174 -11.363 -17.577 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -39.931 -10.075 -17.959 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -33.711 -0.963 -6.850 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -33.142 -1.515 -6.289 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -33.419 -0.043 -6.662 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -36.344 16.468 -36.445 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -36.819 15.869 -37.071 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -35.403 16.341 -36.660 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -32.053 13.060 -37.320 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -32.275 13.186 -38.269 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -31.452 12.286 -37.320 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -28.281 10.986 -38.685 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -29.151 10.905 -38.237 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -28.306 10.295 -39.380 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -32.727 13.437 -39.935 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -32.490 13.256 -40.852 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -32.664 14.422 -39.861 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -33.227 19.783 -28.321 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -33.710 20.616 -28.170 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -33.522 19.202 -27.589 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -32.253 22.056 -26.017 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -33.050 21.868 -26.548 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -32.147 23.030 -26.090 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -43.350 13.908 -31.993 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -42.772 14.455 -32.559 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -43.583 13.142 -32.562 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -39.480 13.017 -29.501 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -40.027 13.648 -28.968 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -40.073 12.254 -29.643 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -36.380 19.925 -30.863 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -36.102 20.868 -30.781 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -35.533 19.433 -30.922 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -42.302 20.202 -26.426 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -41.324 20.064 -26.418 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -42.406 21.118 -26.697 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -34.282 26.570 -25.711 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -33.478 27.047 -25.456 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -34.183 26.432 -26.675 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -41.006 10.639 -29.479 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -41.265 10.089 -28.720 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -41.729 11.317 -29.545 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -33.913 18.600 -30.772 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -34.057 17.708 -30.384 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -33.536 19.121 -30.032 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -37.675 17.740 -32.102 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -37.372 18.643 -31.876 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -37.267 17.173 -31.408 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -38.482 18.061 -35.829 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -37.773 17.509 -36.218 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -38.055 18.910 -35.663 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -35.880 18.101 -34.195 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -35.958 17.449 -34.916 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -36.559 17.828 -33.548 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -43.629 15.114 -28.740 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -44.012 15.398 -29.578 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -44.165 15.583 -28.059 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -34.609 22.129 -27.476 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -35.337 21.486 -27.282 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -34.776 22.871 -26.848 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -38.201 19.458 -28.841 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -37.595 19.742 -29.565 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -38.675 18.707 -29.213 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -34.951 23.925 -25.453 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -34.532 23.720 -24.613 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -34.857 24.899 -25.537 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -39.363 16.405 -24.248 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -38.966 17.282 -24.375 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -39.572 16.371 -23.286 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -33.717 16.110 -35.105 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -33.387 16.790 -34.489 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -32.968 15.966 -35.725 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -30.789 10.646 -37.655 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -31.150 10.355 -36.792 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -31.285 10.110 -38.313 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -32.453 20.431 -17.637 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -31.611 20.119 -18.018 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -33.108 19.780 -17.954 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -39.608 19.903 -26.435 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -38.950 19.516 -25.828 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -39.163 19.897 -27.304 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -42.758 12.653 -29.664 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -43.142 13.327 -29.071 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -42.928 13.012 -30.564 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -32.307 16.091 -39.519 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -31.573 16.684 -39.780 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -32.260 16.075 -38.543 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -38.013 14.724 -37.632 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -38.389 14.421 -36.781 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -38.548 14.283 -38.298 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -43.352 17.932 -25.355 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -43.015 18.720 -25.848 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -43.354 18.215 -24.435 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -43.480 11.861 -33.793 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -43.692 10.988 -34.136 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -42.726 12.158 -34.339 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -39.469 16.567 -33.808 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -38.913 16.934 -33.083 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -39.256 17.141 -34.583 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -37.313 12.587 -31.257 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -37.016 13.462 -31.542 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -38.042 12.775 -30.629 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -41.853 15.281 -33.863 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -40.983 15.736 -33.771 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -42.444 15.967 -34.191 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -41.190 12.822 -25.670 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -41.529 13.621 -25.230 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -41.090 13.091 -26.596 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -35.202 22.331 -30.303 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -34.933 22.417 -29.372 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -34.361 22.387 -30.803 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -34.210 11.696 -36.154 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -33.637 10.986 -35.802 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -33.588 12.421 -36.358 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -37.629 18.855 -24.695 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -37.131 18.166 -24.220 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -37.612 19.631 -24.082 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -36.096 14.809 -34.260 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -36.353 15.359 -35.021 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -35.130 14.924 -34.208 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -41.242 18.914 -20.804 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -40.538 19.593 -20.784 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -41.945 19.288 -20.266 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -37.678 20.922 -22.970 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -37.834 21.817 -23.295 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -38.233 20.858 -22.164 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -41.032 14.574 -27.926 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -41.092 15.047 -27.066 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -41.899 14.750 -28.350 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -36.461 20.308 -26.853 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -37.070 20.009 -27.556 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -36.702 19.765 -26.082 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -31.894 24.737 -26.315 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -32.525 24.969 -27.030 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -31.808 25.565 -25.798 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -33.272 18.364 -33.425 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -34.203 18.371 -33.757 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -33.371 18.377 -32.445 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -38.706 14.161 -34.976 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -39.029 14.976 -34.534 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -37.797 14.048 -34.628 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -38.167 10.204 -32.284 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -37.645 10.099 -33.109 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -37.856 11.058 -31.916 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -33.730 25.592 -28.219 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -34.528 25.274 -28.658 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -32.999 25.335 -28.835 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -38.919 20.433 -20.570 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -38.531 19.541 -20.722 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -38.452 20.760 -19.776 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -37.705 18.050 -20.893 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -37.147 17.774 -21.648 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -37.155 17.856 -20.104 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -45.151 16.567 -26.983 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -46.004 16.753 -26.580 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -44.509 17.046 -26.418 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -29.997 17.611 -39.418 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -29.257 18.154 -39.695 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -29.655 17.117 -38.640 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -41.674 15.677 -25.535 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -40.877 15.984 -25.055 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -42.292 16.433 -25.482 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -39.207 11.220 -24.672 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -39.599 10.335 -24.575 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -39.966 11.794 -24.935 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -38.196 14.374 -25.880 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -38.648 14.976 -25.255 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -37.446 14.017 -25.369 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -39.910 16.597 -21.554 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -40.592 17.263 -21.323 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -39.077 16.994 -21.235 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -38.397 11.419 -27.446 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -38.561 11.820 -26.571 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -38.648 12.119 -28.080 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -37.824 11.094 -22.280 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -37.640 10.135 -22.361 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -38.265 11.324 -23.125 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -38.795 9.684 -17.404 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -38.540 10.171 -18.224 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -38.356 8.817 -17.496 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -31.785 24.516 -29.724 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -31.605 23.598 -29.437 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -31.394 24.565 -30.618 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -31.476 27.183 -25.112 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -31.518 27.668 -24.264 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -30.990 27.796 -25.710 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -30.276 18.631 -33.558 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -31.228 18.438 -33.467 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -30.239 19.316 -34.253 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -29.219 18.181 -30.970 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -29.514 18.489 -31.851 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -29.692 17.343 -30.846 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -30.135 21.858 -24.357 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -30.950 21.815 -24.914 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -30.305 21.209 -23.637 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -28.186 17.232 -34.934 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -28.792 17.582 -34.255 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -27.673 16.550 -34.473 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -31.684 15.699 -36.852 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -30.726 15.898 -36.921 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -31.729 14.716 -36.896 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -26.266 10.934 -41.374 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -27.049 10.353 -41.248 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -25.691 10.431 -41.991 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -28.124 12.646 -34.218 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -28.983 12.575 -33.752 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -27.895 11.721 -34.444 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -38.853 8.719 -29.430 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -39.267 9.562 -29.700 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -37.980 8.722 -29.888 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -40.759 9.501 -31.964 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -39.809 9.740 -32.088 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -41.006 9.936 -31.124 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -32.250 9.847 -35.454 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -32.124 9.625 -34.523 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -32.511 8.998 -35.871 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -41.142 12.851 -34.887 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -41.533 13.689 -34.558 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -40.199 13.074 -35.031 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -35.247 19.971 -20.457 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -35.374 20.447 -21.286 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -35.867 20.400 -19.837 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -37.077 13.621 -12.151 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -36.963 13.159 -11.285 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -37.816 13.159 -12.569 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -29.220 13.232 -5.374 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -29.520 12.935 -6.257 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -29.830 13.934 -5.140 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -32.014 14.587 -12.775 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -32.776 14.195 -12.315 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -32.002 14.141 -13.630 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -34.978 10.323 -12.161 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -34.735 11.243 -12.404 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -34.872 10.299 -11.187 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -34.819 10.152 -9.408 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -35.205 9.250 -9.431 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -33.976 10.037 -8.917 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -37.055 15.928 -13.827 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -36.119 15.944 -14.097 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -37.096 15.231 -13.145 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -35.778 18.368 -15.857 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -34.996 18.920 -15.603 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -36.526 18.802 -15.420 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -33.168 23.040 -18.112 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -32.416 23.517 -17.754 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -32.934 22.093 -17.983 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -35.413 12.746 -16.990 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -35.708 11.894 -16.617 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -34.761 13.073 -16.346 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -34.488 16.155 -14.967 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -34.977 16.878 -15.417 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -33.732 16.614 -14.531 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -38.480 11.259 -19.603 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -38.808 12.180 -19.543 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -38.247 11.154 -20.548 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -40.547 11.885 -17.487 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -40.096 11.023 -17.558 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -40.418 12.296 -18.358 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -39.522 13.775 -19.497 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -39.845 14.326 -20.224 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -39.049 14.407 -18.910 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -39.111 13.428 -15.794 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -39.789 12.956 -16.332 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -38.535 13.845 -16.452 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -38.592 19.019 -16.706 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -39.029 18.382 -16.110 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -38.208 18.465 -17.400 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -35.874 23.043 -18.310 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -36.094 23.978 -18.264 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -34.888 23.025 -18.262 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -33.482 18.302 -19.209 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -33.603 17.439 -19.658 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -34.104 18.903 -19.679 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -25.156 22.661 -19.024 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -25.042 23.557 -19.361 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -25.950 22.330 -19.488 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -33.488 19.544 -15.119 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -32.892 19.925 -15.787 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -32.919 18.941 -14.602 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -34.479 12.981 -12.751 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -35.377 13.326 -12.558 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -34.333 13.204 -13.689 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -38.408 10.867 -14.935 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -38.703 11.793 -15.073 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -38.736 10.392 -15.732 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -37.382 9.172 -12.976 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -37.858 9.803 -13.553 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -36.580 9.661 -12.696 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -37.119 20.658 -18.487 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -37.648 20.460 -17.685 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -36.717 21.545 -18.299 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -36.598 17.898 -18.404 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -36.606 18.858 -18.595 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -36.110 17.832 -17.551 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -39.082 16.494 -15.520 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -39.691 15.785 -15.265 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -38.334 16.408 -14.879 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -38.167 15.564 -17.913 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -37.495 16.222 -18.164 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -38.556 15.925 -17.089 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -30.795 18.582 -18.763 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -31.735 18.428 -19.010 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -30.331 17.760 -19.069 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -26.202 19.318 -17.563 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -26.857 19.934 -17.931 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -26.290 18.516 -18.126 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -32.217 17.253 -13.927 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -31.489 17.318 -14.586 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -31.954 16.511 -13.349 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -33.490 13.669 -15.240 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -33.833 14.599 -15.218 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -32.614 13.747 -15.695 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -33.112 10.804 -15.233 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -33.059 11.765 -15.108 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -34.077 10.626 -15.308 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -32.396 9.321 -8.271 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -31.514 9.471 -8.670 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -32.217 8.734 -7.507 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -36.769 12.074 -9.901 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -37.341 11.946 -9.139 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -36.014 11.468 -9.737 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -35.788 10.375 -15.567 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -35.774 9.408 -15.714 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -36.700 10.557 -15.252 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -15.058 -9.050 -50.213 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -15.450 -9.072 -51.088 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -14.089 -9.109 -50.380 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -12.727 -10.977 -46.669 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -13.365 -10.333 -47.043 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -11.873 -10.505 -46.683 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -13.800 -13.170 -45.414 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -13.650 -13.912 -46.046 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -13.429 -12.382 -45.878 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -10.069 -16.350 -43.028 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -10.015 -16.059 -42.093 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -10.772 -15.776 -43.415 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -19.880 -15.724 -42.925 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -20.764 -15.774 -42.529 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -20.055 -15.651 -43.885 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -19.047 -12.573 -44.931 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -19.242 -12.567 -43.969 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -18.067 -12.567 -44.972 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -22.382 -14.174 -42.883 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -23.135 -13.605 -43.087 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -22.160 -13.957 -41.954 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -21.509 -7.540 -38.833 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -21.813 -6.661 -39.121 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -22.334 -8.011 -38.587 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -19.436 -13.096 -42.300 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -19.474 -14.039 -42.571 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -20.199 -12.995 -41.695 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -16.046 -20.544 -44.457 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -15.106 -20.459 -44.696 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -16.155 -19.947 -43.706 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -19.563 -11.033 -47.199 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -19.518 -11.526 -46.352 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -19.191 -11.641 -47.844 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -16.961 -19.187 -42.151 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -17.120 -18.232 -41.967 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -17.744 -19.465 -42.644 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -16.474 -11.012 -42.122 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -16.423 -11.505 -42.966 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -16.699 -11.693 -41.461 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -21.589 -10.314 -44.650 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -22.285 -9.740 -45.030 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -21.847 -11.216 -44.938 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -20.961 -14.551 -45.224 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -21.521 -14.316 -44.454 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -20.294 -13.837 -45.263 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -14.832 -8.910 -41.637 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -15.359 -9.649 -42.008 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -14.900 -9.034 -40.676 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -15.497 -9.786 -45.111 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -15.250 -9.738 -46.057 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -15.064 -9.006 -44.717 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -22.046 -10.979 -39.637 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -22.638 -10.454 -39.057 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -22.185 -10.590 -40.538 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -21.358 -13.465 -40.418 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -21.737 -12.634 -40.049 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -20.727 -13.762 -39.734 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -16.290 -12.320 -44.612 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -15.486 -12.817 -44.882 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -16.075 -11.384 -44.839 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -17.545 -16.560 -41.694 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -16.819 -15.924 -41.904 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -18.330 -16.193 -42.156 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -12.969 -19.980 -42.010 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -13.228 -20.239 -42.917 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -13.738 -20.241 -41.457 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -15.300 -15.035 -42.133 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -14.451 -14.935 -41.650 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -15.116 -14.677 -43.010 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -10.676 -15.878 -48.150 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -10.264 -15.273 -48.772 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -10.204 -15.715 -47.304 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -11.893 -14.577 -43.962 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -11.411 -13.961 -43.369 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -12.577 -14.017 -44.385 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -13.317 -20.242 -44.850 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -13.099 -20.660 -45.691 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -12.611 -19.565 -44.726 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -22.254 -9.818 -42.037 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -22.225 -8.836 -42.087 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -22.019 -10.107 -42.943 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -24.436 -11.119 -47.709 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -24.467 -11.219 -48.665 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -25.211 -10.549 -47.501 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -23.730 -9.159 -45.877 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -23.678 -9.856 -46.562 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -24.680 -8.965 -45.813 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -22.923 -12.459 -45.750 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -23.483 -12.148 -46.491 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -22.605 -13.328 -46.039 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -16.874 -17.098 -30.322 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -16.758 -16.924 -29.354 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -17.670 -17.638 -30.369 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -16.240 -16.778 -27.705 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -16.552 -16.540 -26.812 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -15.270 -16.673 -27.652 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -26.202 -12.765 -30.979 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -26.592 -13.635 -31.124 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -25.679 -12.870 -30.156 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -23.312 -13.834 -26.476 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -22.492 -14.255 -26.176 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -23.586 -13.281 -25.717 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -18.564 -11.636 -34.427 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -18.324 -12.558 -34.177 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -19.202 -11.750 -35.157 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -21.319 -14.853 -24.581 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -21.074 -15.799 -24.721 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -22.002 -14.885 -23.894 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -26.018 -12.063 -22.750 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -26.630 -11.478 -22.255 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -25.569 -12.593 -22.045 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -14.931 -12.652 -28.254 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -15.599 -12.698 -27.539 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -15.086 -11.779 -28.669 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -16.551 -10.156 -33.490 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -15.800 -10.755 -33.363 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -17.254 -10.731 -33.872 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -14.257 -14.325 -25.437 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -14.874 -13.565 -25.464 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -13.740 -14.236 -26.250 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -19.325 -18.554 -35.011 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -18.573 -18.403 -35.622 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -19.457 -19.505 -35.029 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -15.235 -20.598 -40.567 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -15.651 -21.465 -40.622 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -15.849 -20.005 -41.061 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -17.823 -14.247 -34.213 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -18.567 -14.874 -34.319 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -17.217 -14.698 -33.589 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -24.695 -12.690 -28.597 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -24.351 -13.209 -27.832 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -23.947 -12.693 -29.242 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -16.520 -12.803 -25.984 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -17.068 -13.590 -25.861 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -17.010 -12.096 -25.506 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -21.904 -13.082 -21.140 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -21.581 -12.629 -21.945 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -21.194 -12.936 -20.482 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -16.600 -17.002 -39.180 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -17.068 -16.818 -40.024 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -15.665 -17.125 -39.450 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -22.174 -12.243 -34.342 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -21.770 -12.988 -33.842 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -23.032 -12.095 -33.890 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -27.720 -8.676 -23.525 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -27.149 -7.907 -23.309 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -27.506 -9.332 -22.837 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -27.820 -10.598 -21.303 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -27.577 -10.697 -20.347 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -28.769 -10.333 -21.278 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -19.521 -16.296 -37.397 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -20.149 -16.981 -37.659 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -18.690 -16.783 -37.233 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -16.570 -15.804 -25.090 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -15.700 -15.374 -25.226 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -16.558 -16.069 -24.140 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -18.198 -14.107 -21.192 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -18.975 -13.772 -20.704 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -18.434 -13.982 -22.134 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -17.345 -18.118 -36.866 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -17.113 -17.737 -37.748 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -16.553 -18.610 -36.612 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -19.289 -13.783 -38.511 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -19.615 -13.222 -37.775 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -19.310 -14.695 -38.144 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -19.858 -12.554 -19.395 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -20.463 -12.077 -18.793 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -18.968 -12.399 -19.015 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -13.748 -16.915 -33.175 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -13.707 -17.581 -33.892 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -12.941 -16.397 -33.288 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -13.071 -16.745 -24.864 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -13.438 -15.837 -24.834 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -13.088 -16.974 -25.816 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -24.345 -11.660 -32.692 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -24.678 -10.776 -32.891 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -25.075 -12.084 -32.190 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -16.706 -16.083 -22.399 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -17.239 -15.465 -21.852 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -16.394 -16.749 -21.772 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -29.050 -9.199 -25.920 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -28.549 -8.897 -25.125 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -29.254 -10.123 -25.730 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -20.317 -12.070 -36.564 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -21.080 -12.215 -35.963 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -20.524 -11.237 -37.013 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -19.990 -15.937 -34.678 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -20.008 -15.844 -35.651 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -19.854 -16.901 -34.535 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -19.801 -9.676 -38.676 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -20.469 -8.959 -38.711 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -20.239 -10.423 -39.126 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -21.325 -14.394 -32.857 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -20.821 -14.879 -33.548 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -21.582 -15.078 -32.232 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -17.295 -10.562 -30.883 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -16.532 -10.418 -30.287 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -16.962 -10.310 -31.763 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -29.517 -7.421 -21.671 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -28.858 -7.632 -22.353 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -29.740 -8.288 -21.278 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -17.084 -12.744 -19.050 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -17.324 -13.322 -19.800 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -16.291 -12.269 -19.361 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -20.482 -17.446 -24.781 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -19.582 -17.794 -24.764 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -21.041 -18.231 -24.788 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -17.484 -12.933 -40.409 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -18.045 -12.969 -41.214 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -18.072 -13.270 -39.697 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -14.113 -15.342 -21.491 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -14.021 -16.272 -21.791 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -14.950 -15.053 -21.879 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -10.476 -16.702 -20.328 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -11.052 -15.935 -20.103 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -10.587 -16.807 -21.290 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -21.643 -9.563 -34.629 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -22.479 -9.343 -35.085 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -21.712 -10.526 -34.459 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -30.666 -6.878 -28.792 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -30.994 -7.170 -27.908 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -29.921 -7.480 -28.976 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -30.254 -9.670 -30.699 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -29.676 -9.381 -29.969 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -30.007 -10.588 -30.846 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -15.017 -10.112 -29.374 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -14.072 -10.231 -29.623 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -15.034 -9.265 -28.913 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -13.241 -12.529 -18.495 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -13.771 -11.956 -19.090 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -12.884 -11.912 -17.824 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -14.496 -19.253 -37.864 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -14.281 -18.519 -38.477 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -14.731 -19.987 -38.454 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -14.101 -17.039 -30.316 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -15.070 -17.167 -30.304 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -13.856 -17.173 -31.248 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -13.302 -18.642 -35.457 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -12.875 -19.474 -35.219 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -13.816 -18.861 -36.270 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -10.902 -19.088 -40.464 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -11.654 -19.491 -40.951 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -10.135 -19.595 -40.750 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -16.054 -15.426 -32.445 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -16.420 -15.930 -31.687 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -15.282 -15.956 -32.732 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -14.077 -17.865 -22.506 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -13.781 -17.587 -23.399 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -13.702 -18.745 -22.395 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -27.545 -11.085 -18.649 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -28.242 -10.968 -17.985 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -26.808 -11.485 -18.151 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -18.350 -11.581 -24.288 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -19.216 -11.184 -24.109 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -18.462 -12.518 -24.039 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -18.656 -14.296 -23.988 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -18.076 -14.955 -24.423 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -19.559 -14.545 -24.273 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -28.571 -8.810 -28.639 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -28.734 -8.786 -27.670 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -27.934 -9.559 -28.752 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -26.949 -10.961 -28.922 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -26.262 -11.486 -28.471 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -26.894 -11.250 -29.849 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -23.834 -12.119 -24.381 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -24.027 -11.434 -25.064 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -24.687 -12.229 -23.905 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -20.563 -17.161 -12.401 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -21.531 -17.199 -12.496 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -20.392 -17.555 -11.526 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -19.844 -18.125 -9.853 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -19.801 -18.417 -8.912 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -19.020 -18.451 -10.235 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -16.075 -14.143 -12.594 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -16.479 -14.477 -11.760 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -16.157 -14.891 -13.212 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -25.806 -12.441 -7.015 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -25.683 -12.905 -7.871 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -26.001 -11.503 -7.281 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -17.965 -17.267 -6.022 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -18.615 -17.223 -5.281 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -18.307 -17.987 -6.592 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -20.899 -12.336 -12.032 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -20.712 -11.560 -11.473 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -21.802 -12.174 -12.371 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -24.287 -15.544 -8.287 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -23.732 -16.186 -8.769 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -24.706 -15.017 -8.982 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -25.665 -13.140 -9.656 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -25.146 -13.092 -10.464 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -26.213 -12.314 -9.671 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -28.434 -12.960 -13.551 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -27.870 -13.508 -14.140 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -27.799 -12.357 -13.107 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -18.963 -15.107 -13.119 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -19.606 -15.820 -12.899 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -18.312 -15.546 -13.699 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -11.929 -21.366 -8.903 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -11.914 -21.985 -9.669 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -11.356 -20.629 -9.184 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -16.855 -15.724 -14.834 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -16.222 -16.264 -15.322 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -16.983 -14.934 -15.400 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -15.959 -16.338 -4.400 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -16.199 -16.705 -3.522 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -16.483 -16.871 -5.036 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -23.326 -16.574 -12.132 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -24.141 -16.660 -12.667 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -22.898 -15.763 -12.490 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -23.500 -19.087 -7.563 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -23.188 -18.520 -8.302 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -24.390 -19.340 -7.821 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -23.590 -13.941 -6.176 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -24.282 -13.290 -6.388 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -23.740 -14.665 -6.822 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -25.750 -11.414 -4.459 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -25.750 -11.879 -5.318 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -26.537 -10.837 -4.503 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -25.108 -15.823 -14.239 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -24.450 -15.503 -14.873 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -25.929 -15.367 -14.502 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -29.638 -10.336 -8.652 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -28.726 -10.610 -8.894 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -29.803 -9.549 -9.204 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -26.623 -11.200 -12.426 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -26.784 -10.989 -11.472 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -25.674 -11.406 -12.468 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -11.746 -20.222 -5.201 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -11.012 -20.543 -5.741 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -12.523 -20.724 -5.537 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -27.738 -13.808 -5.585 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -28.001 -14.489 -6.207 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -27.011 -13.337 -6.038 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -19.717 -21.892 -7.044 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -19.202 -22.453 -6.424 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -20.502 -22.411 -7.234 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -11.138 -18.168 -18.057 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -10.830 -17.732 -18.879 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -11.234 -19.117 -18.311 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -21.224 -18.438 -1.992 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -20.706 -18.587 -1.167 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -22.125 -18.321 -1.684 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -19.556 -19.177 -7.320 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -20.283 -19.000 -6.684 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -19.482 -20.160 -7.327 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -22.246 -14.385 -13.337 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -21.398 -14.059 -12.977 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -22.835 -13.590 -13.316 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -17.420 -14.971 -7.484 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -17.509 -15.826 -7.010 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -18.221 -14.470 -7.227 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -22.666 -17.462 -9.607 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -21.699 -17.599 -9.655 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -22.914 -17.179 -10.517 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -20.424 -12.773 -15.321 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -20.641 -13.615 -15.736 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -21.279 -12.292 -15.296 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -19.896 -17.275 -4.144 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -20.563 -17.614 -4.776 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -20.190 -17.632 -3.279 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -17.300 -14.948 -10.275 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -17.194 -15.013 -9.300 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -18.226 -15.171 -10.428 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -25.637 -11.903 -16.603 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -24.727 -11.798 -16.263 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -26.168 -11.265 -16.070 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -16.947 -13.273 -16.119 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -17.318 -12.751 -16.857 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -16.097 -13.620 -16.478 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -14.674 -14.382 -17.046 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -14.323 -15.287 -17.220 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -14.216 -13.818 -17.705 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -21.192 -12.104 -23.610 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -21.033 -12.909 -24.128 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -22.122 -11.870 -23.816 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -22.222 -11.401 -18.091 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -22.427 -11.388 -17.129 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -22.874 -12.012 -18.462 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -26.921 -14.114 -15.552 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -26.380 -13.400 -15.952 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -27.675 -14.222 -16.179 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -18.416 -23.541 -5.269 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -18.152 -24.460 -5.165 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -17.870 -23.062 -4.638 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -29.083 -14.051 -17.202 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -29.767 -13.709 -16.597 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -29.472 -13.937 -18.090 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -24.956 -8.169 -5.878 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -25.128 -8.641 -6.715 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -24.550 -7.313 -6.156 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -23.508 -9.794 -4.239 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -24.167 -10.509 -4.145 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -23.909 -9.192 -4.895 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -24.592 -13.292 -20.831 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -24.689 -13.718 -19.950 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -23.620 -13.271 -20.977 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -22.068 -13.082 -4.088 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -22.474 -13.476 -4.893 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -22.836 -12.866 -3.520 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -23.194 -14.346 -15.894 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -22.737 -14.651 -15.084 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -23.264 -13.372 -15.771 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -24.552 -14.420 -18.339 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -25.415 -14.698 -18.014 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -23.962 -14.521 -17.564 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -9.365 -16.905 -16.306 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -9.918 -17.584 -16.741 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -9.744 -16.056 -16.620 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -21.668 -18.752 -5.598 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -22.380 -18.818 -6.278 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -22.090 -19.057 -4.785 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -13.666 -17.434 -1.151 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -13.156 -17.948 -1.812 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -13.833 -16.577 -1.594 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -27.189 -10.343 -15.021 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -26.935 -10.487 -14.085 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -28.090 -10.006 -14.972 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -13.512 -16.787 -17.633 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -12.621 -17.184 -17.522 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -13.834 -17.163 -18.457 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -11.424 -20.770 -18.847 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -11.466 -21.157 -19.752 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -11.354 -21.535 -18.271 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -12.548 -14.523 2.313 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -13.388 -14.179 2.687 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -12.064 -13.719 2.040 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -13.287 -21.975 -6.653 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -12.842 -21.662 -7.478 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -13.544 -22.877 -6.856 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -27.692 -11.124 -1.871 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -28.113 -11.511 -2.668 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -28.413 -11.108 -1.206 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -14.713 -15.066 5.689 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -14.690 -14.523 4.869 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -14.255 -15.891 5.436 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -17.335 -15.353 3.044 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -17.325 -16.325 3.190 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -17.528 -14.980 3.938 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -14.683 -14.236 8.268 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -14.783 -14.593 7.359 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -13.723 -14.297 8.440 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -17.338 -14.280 5.541 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -17.451 -13.602 6.214 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -16.459 -14.666 5.735 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -17.299 -19.556 5.688 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -16.447 -19.316 6.129 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -17.790 -20.024 6.367 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -10.905 -16.637 16.180 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -10.873 -17.522 15.744 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -11.585 -16.741 16.882 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -17.284 -19.074 -0.511 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -17.155 -19.948 -0.896 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -16.631 -19.035 0.223 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -17.187 -16.652 -1.972 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -17.694 -16.176 -1.283 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -17.151 -17.571 -1.643 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -15.025 -18.981 7.034 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -14.910 -18.602 7.936 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -14.123 -19.039 6.683 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -17.578 -18.065 3.437 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -18.541 -17.993 3.322 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -17.473 -18.607 4.261 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -15.646 -18.847 1.662 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -16.323 -18.622 2.341 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -15.178 -18.000 1.503 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -12.728 -9.268 2.800 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -12.959 -9.531 3.712 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -13.584 -8.990 2.408 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -10.907 -13.536 12.819 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -11.383 -14.296 13.215 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -9.969 -13.707 13.032 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -18.269 -13.014 1.909 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -17.621 -12.392 2.294 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -17.993 -13.887 2.254 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -15.208 -8.472 1.690 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -14.923 -8.610 0.751 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -16.144 -8.734 1.694 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -18.342 -15.658 0.304 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -19.224 -15.233 0.352 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -18.198 -15.999 1.203 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -14.671 -17.823 9.537 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -13.770 -17.902 9.901 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -15.037 -17.031 9.970 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -15.829 -14.517 0.189 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -15.380 -15.207 0.714 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -16.769 -14.791 0.189 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -12.052 -15.913 13.761 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -11.647 -15.992 14.651 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -12.374 -16.818 13.566 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -14.995 -13.890 3.266 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -15.788 -14.423 3.048 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -15.209 -12.992 2.917 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -12.979 -17.092 17.890 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -13.064 -17.304 18.825 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -13.858 -17.242 17.529 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -12.172 -11.782 1.582 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -11.435 -11.468 1.006 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -12.393 -10.998 2.123 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -13.308 -16.737 3.929 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -13.842 -16.809 3.115 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -12.640 -16.061 3.712 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -17.505 -11.407 -0.256 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -17.804 -12.107 0.351 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -18.311 -10.872 -0.417 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -20.578 -14.349 1.163 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -19.979 -13.633 1.466 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -21.145 -13.914 0.479 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -15.911 -11.571 2.234 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -16.016 -10.832 2.871 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -16.135 -11.177 1.370 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -21.988 -13.028 -0.768 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -22.231 -12.161 -0.374 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -22.657 -13.166 -1.463 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -12.034 -10.659 9.552 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -12.324 -10.678 8.620 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -11.553 -11.503 9.666 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -20.981 -9.907 -3.140 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -21.924 -10.007 -3.415 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -20.493 -9.862 -3.987 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -25.422 -11.288 -0.395 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -25.864 -11.609 0.398 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -26.163 -11.107 -1.026 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -20.141 -16.789 2.453 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -20.326 -15.903 2.064 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -20.928 -16.986 2.971 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -19.884 -18.591 0.351 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -19.886 -17.962 1.097 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -18.937 -18.719 0.144 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -14.064 -14.852 -1.959 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -13.655 -14.013 -1.664 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -14.911 -14.881 -1.473 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -19.998 -10.273 -0.517 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -20.864 -10.472 -0.108 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -20.227 -10.007 -1.431 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -10.685 -12.916 10.165 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -10.805 -13.192 11.105 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -11.171 -13.603 9.650 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -11.395 -19.658 7.284 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -11.624 -20.563 7.575 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -11.805 -19.581 6.395 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -12.180 -22.230 8.138 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -13.061 -22.593 7.996 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -11.574 -22.989 7.956 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -12.043 -14.809 8.790 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -12.384 -15.142 9.658 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -11.669 -15.610 8.358 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -12.928 -15.467 11.196 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -12.670 -15.526 12.138 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -13.906 -15.420 11.218 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -13.502 -20.331 2.544 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -14.233 -19.805 2.149 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -13.952 -21.046 3.008 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -14.187 -16.516 1.300 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -13.479 -15.855 1.484 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -13.919 -16.923 0.435 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -16.568 -8.470 6.642 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -16.855 -8.718 7.528 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -15.779 -7.930 6.787 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -15.616 -15.364 10.565 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -15.326 -14.884 9.752 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -16.556 -15.169 10.631 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -24.081 -6.813 -3.312 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -24.084 -6.282 -4.130 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -24.444 -7.667 -3.584 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -13.908 -9.743 5.237 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -14.823 -9.818 4.893 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -13.781 -8.775 5.371 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -24.240 -12.606 -2.506 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -24.604 -12.191 -1.700 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -24.874 -12.348 -3.213 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -10.946 -18.850 14.653 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -10.184 -18.951 14.049 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -11.722 -18.873 14.061 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -20.728 0.093 -47.927 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -20.379 -0.819 -47.960 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -21.661 0.003 -48.215 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -14.385 2.906 -49.386 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -14.755 2.218 -49.980 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -14.959 3.676 -49.534 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -23.149 2.514 -45.596 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -23.598 2.655 -44.736 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -23.702 1.840 -46.045 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -23.063 -2.740 -51.962 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -23.857 -2.270 -51.607 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -23.418 -3.586 -52.305 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -24.993 -1.390 -50.633 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -25.806 -1.389 -50.088 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -24.397 -0.776 -50.165 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -19.195 5.248 -47.588 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -19.085 4.363 -47.978 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -20.116 5.254 -47.273 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -11.740 -7.213 -46.198 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -11.272 -6.594 -46.786 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -11.319 -8.079 -46.378 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -21.950 -7.180 -42.483 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -21.934 -6.990 -43.445 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -21.682 -6.339 -42.066 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -25.391 -5.290 -50.447 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -26.226 -4.821 -50.547 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -24.958 -5.200 -51.320 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -26.264 -6.603 -46.657 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -26.347 -5.873 -46.015 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -25.548 -6.312 -47.255 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -13.365 -4.678 -42.132 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -12.692 -4.319 -42.737 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -12.954 -4.608 -41.254 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -26.381 -5.283 -42.609 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -26.395 -4.956 -43.533 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -26.285 -4.484 -42.077 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -15.625 -0.959 -48.937 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -15.514 -0.719 -48.010 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -15.055 -1.756 -49.049 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -14.199 -3.276 -49.078 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -13.573 -3.550 -48.374 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -14.832 -4.010 -49.135 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -26.043 -4.125 -45.139 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -26.100 -3.197 -45.462 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -25.078 -4.320 -45.146 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -12.149 6.216 -48.180 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -11.214 6.322 -48.380 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -12.424 7.100 -47.831 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -14.275 -7.247 -45.147 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -14.499 -6.306 -45.302 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -13.354 -7.327 -45.476 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -21.910 -7.185 -45.296 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -22.656 -7.801 -45.472 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -21.231 -7.440 -45.963 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -16.596 4.686 -50.318 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -16.671 5.141 -51.161 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -16.011 5.272 -49.780 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -15.765 1.046 -50.824 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -16.654 1.459 -50.755 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -15.778 0.332 -50.153 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -13.443 3.592 -44.826 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -13.210 3.527 -45.773 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -13.981 4.415 -44.769 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -16.347 -0.863 -52.778 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -17.282 -0.611 -52.637 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -15.844 -0.139 -52.363 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -14.552 -0.219 -43.727 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -14.577 0.696 -43.381 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -13.801 -0.218 -44.335 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -18.145 2.398 -50.432 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -17.671 3.259 -50.410 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -18.791 2.463 -49.695 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -21.137 -0.942 -52.707 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -21.816 -1.547 -52.337 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -21.131 -1.141 -53.645 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -24.335 2.904 -43.088 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -24.836 2.198 -42.623 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -23.792 3.314 -42.377 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -26.617 7.046 -48.102 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -27.356 6.843 -47.485 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -26.982 6.864 -48.975 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -13.721 4.636 -40.907 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -14.472 5.007 -41.408 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -13.213 5.423 -40.631 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -15.564 -1.489 -38.924 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -15.619 -0.947 -38.113 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -14.997 -0.969 -39.521 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -25.917 5.109 -43.582 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -25.376 4.354 -43.264 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -26.504 4.712 -44.248 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -24.082 -5.716 -48.142 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -24.553 -5.631 -49.008 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -23.184 -6.029 -48.389 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -16.030 -3.562 -52.517 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -16.195 -3.801 -53.431 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -16.113 -2.581 -52.506 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -17.894 -1.973 -50.104 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -18.225 -1.329 -50.771 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -17.081 -1.555 -49.753 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -18.142 -2.527 -46.063 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -18.837 -2.239 -45.428 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -18.596 -2.490 -46.937 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -24.116 -2.881 -47.937 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -24.351 -3.823 -47.929 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -24.694 -2.482 -47.247 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -23.891 -5.263 -52.771 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -23.925 -5.591 -53.675 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -23.333 -5.928 -52.293 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -21.997 -3.458 -49.524 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -22.262 -3.159 -50.420 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -22.750 -3.190 -48.950 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -17.305 -5.164 -46.278 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -17.647 -4.248 -46.235 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -16.333 -5.056 -46.275 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -18.687 9.551 -39.148 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -18.164 8.749 -39.385 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -18.753 10.041 -39.976 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -25.434 1.436 -41.039 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -25.910 0.753 -40.537 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -24.925 1.911 -40.370 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -22.403 -7.101 -51.466 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -21.995 -7.968 -51.518 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -22.079 -6.733 -50.612 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -19.865 2.615 -48.300 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -20.716 3.012 -48.073 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -19.997 1.652 -48.118 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -10.642 2.710 -45.752 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -11.038 3.078 -44.955 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -11.161 3.101 -46.477 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -28.030 -0.323 -44.757 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -27.382 -1.015 -44.971 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -28.025 0.256 -45.547 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -13.874 2.284 -42.465 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -13.676 2.703 -43.337 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -13.745 3.011 -41.820 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -12.058 0.564 -47.961 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -11.754 1.305 -47.412 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -12.563 0.986 -48.670 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -21.818 4.750 -46.478 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -22.599 5.290 -46.732 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -22.210 3.896 -46.176 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -23.387 -0.287 -48.614 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -23.985 0.183 -47.983 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -23.570 -1.234 -48.450 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -24.209 6.178 -46.874 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -24.909 6.562 -47.434 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -24.225 6.722 -46.064 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -26.157 -9.038 -39.127 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -25.912 -8.293 -39.728 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -26.594 -9.673 -39.708 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -28.325 6.571 -46.044 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -29.059 6.409 -45.409 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -27.828 7.319 -45.642 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -19.768 -2.487 -48.269 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -19.154 -2.320 -49.020 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -20.551 -2.906 -48.689 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -17.182 -4.637 -50.198 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -17.581 -3.759 -50.037 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -16.697 -4.522 -51.040 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -16.012 -5.056 -42.837 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -16.016 -4.246 -43.390 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -15.083 -5.114 -42.509 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -12.415 -2.837 -51.139 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -13.088 -2.959 -50.435 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -12.935 -2.667 -51.933 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -13.041 8.604 -47.320 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -14.004 8.482 -47.440 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -12.974 9.280 -46.628 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -31.037 8.547 -41.323 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -31.648 8.716 -40.572 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -31.464 7.825 -41.818 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -25.805 1.012 -37.162 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -26.343 1.309 -36.400 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -25.083 1.668 -37.219 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -25.155 -2.073 -40.199 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -25.450 -2.996 -40.046 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -25.897 -1.526 -39.878 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -18.768 -0.021 -51.777 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -19.691 -0.234 -52.055 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -18.832 0.876 -51.392 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -28.393 -2.596 -39.731 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -27.987 -1.724 -39.551 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -28.882 -2.465 -40.550 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -25.661 -4.728 -39.704 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -26.391 -4.778 -39.046 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -25.609 -5.635 -40.071 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -13.197 7.327 -40.216 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -13.429 7.640 -39.311 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -12.483 7.914 -40.491 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -16.200 2.814 -37.281 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -16.476 3.492 -36.636 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -15.380 3.180 -37.675 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -12.581 3.579 -47.492 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -12.438 4.520 -47.740 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -13.245 3.259 -48.148 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -15.024 5.835 -44.645 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -15.868 5.977 -45.117 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -15.203 6.143 -43.738 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -26.867 -0.971 -48.585 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -26.435 -1.232 -47.744 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -27.317 -0.142 -48.368 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -14.118 -0.104 -40.938 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -14.246 -0.621 -41.753 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -14.085 0.823 -41.250 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -10.887 -3.934 -43.185 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -10.667 -3.377 -42.425 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -10.517 -3.444 -43.957 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -12.333 -3.861 -47.135 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -11.670 -4.553 -47.332 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -11.813 -3.026 -47.143 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -15.883 -2.668 -44.379 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -16.646 -2.463 -44.965 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -15.516 -1.790 -44.144 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -25.383 -7.167 -40.943 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -24.527 -7.360 -41.353 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -25.862 -6.637 -41.629 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -26.411 -9.302 -46.989 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -26.387 -8.314 -46.957 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -27.338 -9.517 -46.847 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -14.729 6.107 -49.032 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -13.764 6.071 -48.862 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -15.047 6.823 -48.449 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -27.592 7.160 -42.430 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -27.018 6.383 -42.576 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -28.469 6.879 -42.781 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -26.142 9.636 -47.153 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -26.241 8.777 -47.603 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -26.498 9.477 -46.256 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -24.292 9.579 -42.721 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -24.484 8.762 -43.216 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -23.588 10.020 -43.255 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -14.318 9.573 -44.982 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -15.053 10.017 -45.458 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -14.413 8.639 -45.213 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -20.232 6.517 -44.879 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -20.862 6.802 -44.180 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -20.720 5.828 -45.373 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -17.491 6.452 -45.859 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -18.205 6.559 -45.204 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -17.923 5.957 -46.597 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -23.499 -4.963 -45.541 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -22.806 -5.611 -45.311 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -23.679 -5.138 -46.483 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -14.553 -9.108 -47.567 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -14.836 -9.142 -48.513 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -14.632 -8.172 -47.332 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -18.791 -6.200 -48.369 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -18.280 -5.807 -49.108 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -18.317 -5.894 -47.565 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -21.467 -6.075 -49.117 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -21.560 -5.106 -49.273 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -20.548 -6.175 -48.785 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -20.103 -8.353 -46.982 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -19.962 -9.286 -47.264 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -19.584 -7.826 -47.621 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -26.733 -8.541 -36.478 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -27.668 -8.314 -36.474 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -26.534 -8.717 -37.423 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -23.561 -9.245 -38.073 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -23.682 -9.136 -37.108 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -24.470 -9.199 -38.435 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -17.284 7.315 -39.900 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -16.736 6.964 -39.167 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -16.821 7.019 -40.701 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -15.061 -2.932 -28.756 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -15.151 -2.015 -29.082 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -14.146 -2.967 -28.392 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -22.821 -12.658 -30.571 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -23.216 -12.260 -31.371 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -21.934 -12.918 -30.850 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -15.426 5.781 -30.395 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -16.034 6.146 -29.716 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -14.551 6.153 -30.152 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -17.621 4.148 -31.167 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -16.844 4.742 -31.133 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -17.703 3.818 -30.249 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -22.918 -4.627 -39.210 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -23.885 -4.716 -39.334 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -22.713 -3.745 -39.577 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -14.013 4.214 -38.147 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -14.540 5.043 -38.112 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -13.743 4.144 -39.083 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -19.785 6.979 -34.050 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -19.198 7.767 -34.074 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -20.672 7.346 -34.105 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -18.551 4.503 -33.798 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -19.026 5.363 -33.827 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -18.311 4.393 -32.855 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -24.336 -10.520 -26.517 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -24.192 -10.985 -27.358 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -24.754 -9.690 -26.772 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -16.621 -4.393 -30.782 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -16.473 -3.576 -31.309 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -16.071 -4.261 -29.990 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -18.918 -5.340 -28.581 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -18.401 -4.502 -28.580 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -19.657 -5.161 -29.164 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -29.376 -4.687 -32.756 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -29.663 -4.639 -31.822 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -29.926 -4.013 -33.208 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -27.515 1.682 -35.022 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -27.402 1.126 -34.243 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -28.485 1.898 -35.027 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -22.063 -5.243 -35.486 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -22.058 -5.811 -34.687 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -22.927 -5.399 -35.883 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -22.471 -1.996 -40.120 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -22.186 -1.075 -40.304 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -23.456 -1.966 -40.220 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -24.753 -7.718 -32.822 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -25.441 -7.046 -32.993 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -25.047 -8.143 -31.990 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -10.150 -4.193 -35.234 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -9.608 -4.402 -36.019 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -10.635 -3.384 -35.488 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -13.802 4.376 -35.255 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -13.605 4.124 -36.176 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -14.764 4.567 -35.262 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -27.013 -0.222 -39.246 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -26.505 0.090 -38.456 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -27.869 0.268 -39.182 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -18.735 2.263 -38.530 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -18.784 1.544 -37.864 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -17.840 2.630 -38.410 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -13.642 8.292 -37.626 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -13.933 9.038 -37.061 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -13.059 7.757 -37.032 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -18.535 0.544 -36.366 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -18.812 0.688 -35.440 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -17.579 0.336 -36.303 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -27.377 4.397 -35.516 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -28.327 4.548 -35.334 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -27.232 3.467 -35.268 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -20.622 -4.601 -37.724 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -21.388 -4.597 -38.334 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -21.018 -4.793 -36.849 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -15.865 -0.363 -29.502 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -16.735 -0.335 -29.052 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -15.590 0.563 -29.544 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -27.812 -4.621 -38.035 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -28.104 -3.932 -38.677 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -28.229 -4.363 -37.209 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -26.691 -8.241 -30.897 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -27.062 -7.636 -31.573 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -27.321 -8.195 -30.163 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -15.627 6.397 -37.910 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -15.034 7.158 -37.729 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -16.000 6.172 -37.038 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -11.645 -0.473 -39.801 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -11.427 0.455 -39.674 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -12.542 -0.456 -40.197 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -12.962 9.031 -27.802 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -13.100 8.308 -28.452 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -12.738 8.566 -26.976 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -15.791 0.132 -36.602 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -15.793 1.094 -36.797 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -15.015 0.004 -36.016 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -13.616 -0.233 -34.838 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -13.651 -0.949 -34.166 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -13.413 0.560 -34.329 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -11.304 -1.697 -35.668 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -12.178 -1.264 -35.654 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -10.923 -1.491 -34.788 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -14.581 -6.796 -38.626 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -14.907 -7.677 -38.892 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -15.360 -6.214 -38.721 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -15.871 -2.005 -31.820 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -14.965 -1.981 -32.182 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -15.856 -1.358 -31.091 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -13.360 -2.327 -33.028 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -12.523 -2.496 -32.563 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -13.558 -3.166 -33.467 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -17.688 -3.003 -28.120 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -17.933 -2.058 -28.116 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -16.722 -2.999 -28.300 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -31.199 -2.729 -33.484 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -31.478 -2.740 -32.547 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -32.028 -2.621 -33.974 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -27.397 -6.543 -32.977 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -27.552 -6.800 -33.891 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -28.060 -5.829 -32.813 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -22.085 -7.129 -33.457 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -22.967 -7.287 -33.066 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -21.804 -8.013 -33.776 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -24.232 -8.756 -35.376 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -25.138 -8.703 -35.759 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -24.339 -8.403 -34.469 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -16.458 5.080 -35.459 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -17.215 4.757 -34.914 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -16.356 6.026 -35.187 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -28.435 9.261 -40.864 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -29.406 9.140 -40.991 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -28.044 8.459 -41.273 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -23.645 5.410 -6.224 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -24.317 5.957 -6.694 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -22.883 5.384 -6.846 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -25.518 7.172 -7.170 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -26.379 6.980 -7.575 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -25.356 8.109 -7.396 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -32.670 4.812 -8.783 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -31.958 4.673 -8.128 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -33.395 4.232 -8.470 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -12.796 5.855 -4.289 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -11.892 5.462 -4.243 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -12.730 6.510 -5.011 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -12.449 10.075 -7.312 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -12.990 10.251 -8.108 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -11.869 10.842 -7.249 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -26.604 3.717 -4.976 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -25.813 3.529 -4.437 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -26.248 4.095 -5.789 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -16.739 6.967 -8.513 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -15.869 6.591 -8.241 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -16.653 7.093 -9.482 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -29.151 5.767 -8.742 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -29.238 5.725 -9.702 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -28.658 6.601 -8.583 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -21.876 9.245 -3.120 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -21.362 8.483 -2.816 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -22.570 8.853 -3.677 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -33.463 4.668 -4.143 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -33.002 3.810 -4.056 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -32.757 5.329 -4.002 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -29.329 3.908 -4.592 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -28.354 3.779 -4.685 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -29.414 4.718 -4.067 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -10.670 7.045 -8.774 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -10.880 6.218 -9.260 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -10.611 7.728 -9.473 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -14.423 5.935 -7.468 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -14.023 5.069 -7.298 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -13.731 6.572 -7.199 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -15.595 5.121 -3.985 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -15.626 6.004 -3.563 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -14.661 5.011 -4.232 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -10.473 -10.397 -0.024 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -10.289 -9.438 0.015 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -11.047 -10.496 -0.814 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -31.686 2.569 -4.103 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -31.407 1.843 -3.536 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -30.850 3.046 -4.310 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -17.837 9.472 -8.483 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -17.421 8.593 -8.327 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -18.419 9.325 -9.262 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -17.407 6.410 -5.633 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -16.926 6.621 -6.447 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -16.791 5.842 -5.129 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -27.897 8.164 -8.471 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -28.646 8.734 -8.739 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -27.135 8.780 -8.417 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -25.718 9.812 -8.141 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -26.176 10.493 -7.591 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -25.049 10.311 -8.630 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -16.696 7.502 -11.257 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -16.564 8.009 -12.095 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -16.136 6.709 -11.370 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -27.081 -6.464 -5.334 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -26.410 -7.175 -5.414 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -27.879 -6.836 -5.766 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -14.387 -8.848 -0.839 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -13.669 -9.470 -1.075 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -14.436 -8.251 -1.592 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -12.284 7.439 -6.571 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -11.591 7.314 -7.262 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -12.479 8.403 -6.609 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -19.899 1.018 4.574 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -20.762 1.433 4.489 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -19.323 1.539 3.976 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -11.224 -6.107 8.841 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -12.082 -5.806 9.146 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -11.248 -5.961 7.873 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -17.719 -4.429 2.740 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -17.595 -4.214 3.671 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -18.079 -3.599 2.350 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -18.302 2.448 2.839 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -17.357 2.423 3.029 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -18.378 2.023 1.952 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -18.915 6.784 4.423 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -18.264 6.879 5.124 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -19.500 7.540 4.534 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -18.065 1.101 0.468 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -17.505 0.298 0.336 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -17.767 1.719 -0.236 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -14.595 0.589 -0.880 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -15.238 1.258 -1.136 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -15.140 -0.125 -0.482 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -15.178 -5.839 2.448 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -16.094 -5.517 2.328 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -15.221 -6.789 2.192 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -15.308 7.773 -3.213 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -16.038 8.410 -3.411 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -14.545 8.147 -3.667 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -18.761 -2.058 1.833 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -18.726 -1.106 1.981 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -18.246 -2.190 0.997 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -18.111 -0.697 5.726 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -18.353 -0.620 6.653 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -18.775 -0.143 5.258 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -29.325 -8.127 -0.663 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -28.716 -7.638 -0.104 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -28.869 -8.175 -1.532 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -20.960 -6.352 0.299 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -21.182 -6.759 -0.577 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -20.805 -5.411 0.090 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -24.542 2.626 -1.366 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -24.403 2.880 -2.300 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -24.692 3.462 -0.916 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -19.797 4.857 2.621 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -19.454 5.520 3.256 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -19.290 4.049 2.821 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -20.795 5.011 0.066 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -20.530 5.917 -0.119 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -20.507 4.862 0.996 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -11.882 -2.346 -2.688 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -12.095 -2.382 -1.728 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -10.955 -2.656 -2.736 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -13.474 6.219 -1.679 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -14.250 6.795 -1.799 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -13.171 6.037 -2.596 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -30.412 0.674 -6.379 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -29.914 1.472 -6.597 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -31.352 0.946 -6.470 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -21.425 6.394 -3.083 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -22.308 6.631 -3.432 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -21.514 5.458 -2.817 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -21.581 3.750 -2.208 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -21.208 2.852 -2.078 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -21.394 4.208 -1.353 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -18.665 -6.787 1.755 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -18.403 -5.894 2.068 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -19.499 -6.634 1.263 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -19.722 10.181 -4.634 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -20.494 10.267 -4.042 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -19.721 9.227 -4.883 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -20.347 -3.693 -0.277 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -19.395 -3.411 -0.273 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -20.743 -3.182 0.441 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -18.176 -9.413 1.990 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -18.432 -8.459 1.959 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -18.744 -9.829 1.323 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -21.633 -7.328 -2.103 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -21.457 -8.209 -2.482 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -22.513 -7.083 -2.465 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -15.946 -1.932 4.618 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -16.780 -1.511 4.935 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -15.336 -1.854 5.381 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -29.981 -1.849 -5.536 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -30.064 -0.901 -5.802 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -30.898 -2.193 -5.583 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -19.802 7.507 -4.997 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -18.898 7.127 -5.081 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -20.222 6.980 -4.289 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -16.939 9.754 -4.178 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -16.582 10.164 -4.995 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -17.887 9.990 -4.189 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -23.847 3.663 -3.901 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -22.988 3.649 -3.424 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -23.670 4.209 -4.694 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -17.532 2.835 -1.640 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -18.484 2.952 -1.793 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -17.114 3.448 -2.261 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -22.779 0.924 -0.122 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -23.358 0.486 0.503 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -23.380 1.512 -0.634 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -20.311 1.517 -1.152 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -19.630 1.254 -0.506 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -21.155 1.216 -0.746 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -12.605 -0.770 1.838 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -12.324 0.027 1.350 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -13.556 -0.603 2.043 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -13.837 -2.450 6.382 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -12.891 -2.323 6.571 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -13.849 -3.124 5.680 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -14.125 -3.922 4.039 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -14.467 -4.600 3.414 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -14.822 -3.230 4.045 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -15.278 -0.502 2.297 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -15.605 -1.031 3.050 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -15.803 -0.822 1.528 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -12.720 -5.093 1.309 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -13.597 -5.376 1.631 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -12.116 -5.808 1.597 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -11.026 -7.099 2.245 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -11.528 -7.899 2.515 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -10.510 -7.395 1.465 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -11.954 -10.945 12.469 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -11.600 -11.849 12.616 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -12.201 -10.935 11.529 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -12.429 -11.428 6.814 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -12.911 -10.814 6.209 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -12.943 -12.245 6.777 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -8.110 -9.189 7.989 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -8.359 -8.406 8.528 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -7.899 -8.819 7.123 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -16.519 -9.700 4.197 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -17.279 -9.527 3.599 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -16.749 -9.218 5.023 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -28.316 -8.037 -3.211 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -27.984 -8.812 -3.715 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -27.924 -7.273 -3.669 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -22.553 -8.226 1.557 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -21.883 -7.679 1.091 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -22.949 -7.623 2.188 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -16.624 10.425 -46.211 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -17.174 10.651 -45.434 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -16.975 11.006 -46.929 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -19.478 8.997 -45.778 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -19.860 8.157 -45.444 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -18.992 8.735 -46.570 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -22.608 12.454 -45.946 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -23.337 12.125 -46.530 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -22.745 13.407 -45.915 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -14.815 16.259 -39.141 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -15.774 16.109 -38.991 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -14.774 17.111 -39.578 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -18.240 10.488 -43.867 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -18.885 10.813 -43.206 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -18.784 9.961 -44.492 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -19.214 13.319 -40.672 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -19.607 13.863 -39.955 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -18.314 13.653 -40.753 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -22.159 10.601 -43.963 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -21.400 10.960 -43.463 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -22.298 11.248 -44.688 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -16.062 9.125 -42.890 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -16.854 9.639 -43.161 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -15.345 9.482 -43.449 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -24.408 11.727 -39.494 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -25.119 11.389 -40.085 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -24.455 12.686 -39.595 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -24.621 11.819 -47.627 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -25.001 12.119 -48.456 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -25.145 11.014 -47.400 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -25.384 12.087 -36.915 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -26.086 12.700 -37.192 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -25.055 11.705 -37.754 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -21.983 7.579 -43.081 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -22.067 7.214 -42.168 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -21.793 8.523 -42.946 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -22.463 10.221 -40.701 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -22.947 10.767 -40.047 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -23.157 9.937 -41.330 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -17.391 15.846 -38.292 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -18.311 15.549 -38.430 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -17.266 15.793 -37.320 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -20.270 11.219 -42.041 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -19.921 12.023 -41.585 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -21.026 10.934 -41.479 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -26.710 14.611 -37.685 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -26.953 14.177 -38.538 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -25.896 15.125 -37.901 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -27.123 13.096 -39.871 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -27.642 12.426 -39.366 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -26.856 12.622 -40.680 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -14.423 10.067 -35.591 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -14.348 10.117 -34.617 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -14.089 10.937 -35.897 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -13.166 12.511 -36.065 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -13.724 13.259 -36.403 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -12.287 12.703 -36.406 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -15.312 6.740 -41.931 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -14.564 7.018 -41.359 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -15.669 7.592 -42.286 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -20.094 11.549 -46.588 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -20.054 10.645 -46.216 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -21.006 11.847 -46.396 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -15.729 8.063 -47.288 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -16.309 7.441 -46.798 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -16.124 8.944 -47.112 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -17.928 11.839 -48.129 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -18.762 11.810 -47.601 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -18.145 12.390 -48.883 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -26.825 8.443 -44.762 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -27.219 8.336 -43.872 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -25.909 8.109 -44.657 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -24.409 7.266 -44.289 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -24.843 6.455 -43.932 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -23.498 7.238 -43.913 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -19.375 18.230 -30.449 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -19.887 17.718 -31.110 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -20.035 18.840 -30.057 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -26.774 21.477 -24.780 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -25.864 21.794 -24.961 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -27.157 22.166 -24.210 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -21.432 19.868 -29.385 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -21.112 20.778 -29.361 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -22.255 19.892 -28.851 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -13.851 12.840 -26.465 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -13.662 13.698 -26.023 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -14.680 12.528 -26.041 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -16.459 13.548 -30.248 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -15.593 13.206 -29.951 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -16.237 14.344 -30.761 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -15.472 17.492 -24.261 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -15.750 16.642 -23.863 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -14.491 17.434 -24.294 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -13.947 13.018 -29.206 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -13.542 13.898 -29.362 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -13.927 12.916 -28.229 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -29.374 22.451 -33.826 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -29.857 21.888 -34.467 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -28.533 22.002 -33.706 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -15.302 20.207 -24.068 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -15.468 20.398 -25.003 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -15.436 19.235 -23.997 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -21.046 16.997 -32.378 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -21.785 17.296 -31.798 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -21.499 16.521 -33.110 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -19.826 17.939 -36.667 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -19.607 17.605 -35.768 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -19.105 18.542 -36.873 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -12.765 17.854 -24.507 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -11.973 17.950 -25.084 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -12.621 18.507 -23.796 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -17.219 17.852 -32.194 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -17.869 18.083 -31.502 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -16.512 17.392 -31.715 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -23.963 19.981 -28.274 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -24.121 19.507 -27.427 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -24.632 19.607 -28.883 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -25.923 24.020 -21.618 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -26.340 23.275 -21.142 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -26.501 24.159 -22.383 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -18.908 17.143 -34.195 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -19.665 17.013 -33.586 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -18.180 17.448 -33.603 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -28.214 23.393 -23.179 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -28.497 24.286 -23.465 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -28.922 22.801 -23.517 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -16.142 7.783 -35.065 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -16.897 8.276 -34.681 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -15.486 8.476 -35.268 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -24.497 16.180 -38.029 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -23.544 16.289 -38.218 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -24.708 16.923 -37.454 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -31.129 21.847 -29.284 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -30.204 21.956 -28.982 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -31.457 21.081 -28.781 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -23.545 23.232 -22.792 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -22.969 22.914 -22.089 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -24.310 23.621 -22.318 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -19.273 10.526 -36.663 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -19.125 10.142 -37.558 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -18.704 11.304 -36.645 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -21.365 13.392 -36.774 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -22.171 13.553 -36.255 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -21.162 12.462 -36.614 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -23.978 13.763 -35.287 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -24.319 13.058 -35.880 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -24.790 14.226 -34.983 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -22.979 17.918 -30.700 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -23.906 18.055 -30.423 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -22.483 18.620 -30.236 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -16.817 18.807 -26.285 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -16.917 18.434 -27.186 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -16.311 18.128 -25.797 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -20.056 14.922 -38.614 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -20.693 15.659 -38.639 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -20.414 14.321 -37.919 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -20.749 19.572 -23.370 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -20.887 20.527 -23.380 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -19.807 19.462 -23.635 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -16.983 15.645 -35.554 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -16.506 15.317 -34.758 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -17.716 16.178 -35.184 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -17.281 17.488 -28.756 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -17.595 16.570 -28.583 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -18.007 17.891 -29.279 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -28.497 19.546 -28.525 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -28.789 19.193 -29.389 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -28.452 20.515 -28.663 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -26.536 14.735 -34.911 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -27.184 14.051 -34.626 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -26.647 14.776 -35.883 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -25.648 18.292 -29.751 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -26.504 18.412 -30.185 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -25.850 17.718 -28.977 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -24.219 22.354 -25.293 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -23.938 22.826 -24.475 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -23.752 21.483 -25.236 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -22.937 20.008 -25.033 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -22.245 19.543 -24.524 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -23.529 19.284 -25.355 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -29.359 23.792 -26.190 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -30.262 24.138 -26.372 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -29.512 23.036 -25.588 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -30.670 20.656 -35.518 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -30.951 20.439 -36.414 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -31.512 20.881 -35.047 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -18.125 11.936 -33.287 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -18.192 12.839 -33.625 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -17.539 12.014 -32.523 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -18.108 14.941 -28.593 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -18.929 14.413 -28.599 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -17.478 14.404 -29.121 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -28.993 16.255 -37.296 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -28.728 16.706 -36.459 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -28.289 15.592 -37.441 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -32.805 21.027 -33.969 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -32.903 21.485 -33.106 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -33.089 20.111 -33.784 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -29.850 29.246 -25.797 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -30.075 29.403 -24.858 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -29.097 29.821 -25.960 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -20.447 18.453 -20.854 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -20.891 19.163 -20.329 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -20.666 18.676 -21.782 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -18.088 19.399 -23.943 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -17.826 19.152 -24.859 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -17.374 19.982 -23.644 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -22.332 15.821 -34.484 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -22.878 15.027 -34.652 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -22.217 16.216 -35.354 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -21.819 17.092 -38.308 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -21.781 17.785 -38.976 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -21.149 17.370 -37.635 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -20.123 17.420 -18.129 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -20.743 17.999 -17.629 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -20.128 17.791 -19.032 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -17.834 17.770 -21.634 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -18.704 17.956 -21.224 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -17.901 18.169 -22.520 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -32.723 22.271 -31.541 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -32.178 21.933 -30.801 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -32.217 23.038 -31.875 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -15.858 14.861 -33.174 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -15.121 14.210 -33.240 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -15.596 15.445 -32.444 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -12.913 20.061 -22.700 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -12.436 20.898 -22.703 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -13.772 20.270 -23.131 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -13.782 15.191 -22.660 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -13.511 15.991 -22.172 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -14.738 15.118 -22.489 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -14.587 14.631 -36.918 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -14.507 15.172 -37.733 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -15.385 14.976 -36.481 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -13.903 12.972 -33.419 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -13.961 12.039 -33.130 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -13.553 12.916 -34.328 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -15.430 16.216 -30.607 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -14.575 16.019 -30.166 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -15.947 16.686 -29.924 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -13.958 10.290 -32.840 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -13.519 9.438 -33.061 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -13.854 10.365 -31.869 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -30.741 29.054 -23.153 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -31.109 29.608 -22.456 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -30.035 28.534 -22.699 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -22.842 22.414 -27.823 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -23.235 21.527 -27.952 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -23.029 22.623 -26.894 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -29.076 25.786 -24.320 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -28.878 25.235 -25.107 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -29.874 26.284 -24.576 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -30.835 24.207 -32.311 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -30.303 23.530 -32.796 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -30.649 25.028 -32.777 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -28.454 22.301 -28.304 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -28.768 22.904 -27.596 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -27.474 22.417 -28.294 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -25.744 22.670 -27.882 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -24.921 22.725 -28.391 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -25.452 22.713 -26.958 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -13.250 10.547 -30.148 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -13.341 10.105 -29.279 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -13.499 11.482 -29.967 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -18.396 9.346 -34.349 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -18.770 9.650 -35.206 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -18.292 10.174 -33.829 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -14.378 17.623 -14.675 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -15.151 18.182 -14.652 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -14.542 17.015 -15.422 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -30.559 17.638 -16.081 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -30.258 16.833 -16.566 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -30.719 18.283 -16.787 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -27.143 15.504 -16.775 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -26.986 16.229 -16.137 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -28.108 15.560 -16.973 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -8.194 11.184 -9.690 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -8.357 12.153 -9.712 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -7.637 11.056 -8.914 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -19.529 12.807 -11.367 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -19.978 12.462 -12.166 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -20.054 12.450 -10.631 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -17.781 11.823 -14.013 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -17.189 11.723 -13.254 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -18.617 11.385 -13.725 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -13.406 15.850 -18.877 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -12.534 16.127 -19.183 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -14.013 16.154 -19.574 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -29.332 12.104 -10.547 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -29.724 12.659 -11.234 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -28.357 12.250 -10.646 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -22.419 15.630 -13.670 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -21.544 15.303 -13.959 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -22.854 14.834 -13.287 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -26.677 12.373 -10.936 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -25.885 12.762 -10.544 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -26.349 11.559 -11.376 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -13.851 13.757 -15.401 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -14.343 13.040 -15.849 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -14.254 14.579 -15.749 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -25.367 12.185 -14.459 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -25.185 12.470 -15.389 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -26.172 12.663 -14.224 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -28.335 19.631 -19.465 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -29.277 19.433 -19.270 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -27.894 18.759 -19.415 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -12.672 9.099 -11.460 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -12.443 9.555 -12.301 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -11.815 9.034 -10.986 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -20.040 14.288 -14.365 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -19.375 14.379 -13.666 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -20.394 13.371 -14.237 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -20.972 20.092 -14.627 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -21.233 19.620 -15.443 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -21.326 19.532 -13.906 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -23.775 16.946 -15.694 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -23.372 16.509 -14.913 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -24.690 17.157 -15.406 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -27.058 17.186 -19.006 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -27.900 16.871 -19.424 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -26.842 16.485 -18.360 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -21.045 10.941 -9.877 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -20.846 10.971 -8.912 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -20.462 10.236 -10.217 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -16.411 11.370 -9.898 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -17.059 11.995 -10.250 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -16.952 10.691 -9.452 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -17.060 15.418 -18.595 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -17.055 14.547 -19.046 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -16.563 16.003 -19.208 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -25.191 13.562 -16.770 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -24.517 14.014 -17.315 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -25.975 14.148 -16.831 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -23.546 15.450 -17.981 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -23.621 16.012 -17.179 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -23.545 16.078 -18.711 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -17.325 13.149 -16.353 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -17.497 12.770 -15.461 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -16.463 12.773 -16.607 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -29.994 9.636 -9.532 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -30.087 8.961 -10.244 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -29.761 10.461 -10.012 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -31.018 13.664 -16.301 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -30.568 14.431 -16.731 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -30.619 12.891 -16.724 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -16.142 9.254 -17.474 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -17.022 9.229 -17.050 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -15.572 8.738 -16.867 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -23.261 13.128 -12.963 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -23.931 12.787 -13.593 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -22.433 12.642 -13.203 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -23.602 11.472 -10.778 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -23.425 12.170 -11.442 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -22.711 11.253 -10.417 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -22.069 18.261 -12.875 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -22.140 18.212 -11.918 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -22.182 17.335 -13.172 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -19.537 21.723 -18.206 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -18.579 21.768 -18.185 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -19.811 22.026 -17.309 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -9.274 13.861 -17.125 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -8.768 13.066 -16.877 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -10.215 13.570 -17.057 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -20.152 22.455 -15.674 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -20.370 21.583 -15.265 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -20.568 23.096 -15.095 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -26.365 17.766 -15.305 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -26.225 18.415 -16.032 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -26.919 18.237 -14.672 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -18.225 9.654 -15.640 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -18.997 9.525 -15.044 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -17.903 10.546 -15.413 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -28.842 27.440 -22.131 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -28.156 27.155 -21.521 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -28.805 26.782 -22.861 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -23.777 20.605 -17.842 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -24.589 20.088 -17.670 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -24.112 21.463 -18.186 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -21.577 20.511 -19.547 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -20.879 21.018 -19.071 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -22.366 20.603 -18.982 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -22.044 18.769 -16.763 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -22.697 18.160 -16.355 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -22.592 19.497 -17.134 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -13.064 17.633 -21.430 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -12.103 17.407 -21.433 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -13.084 18.577 -21.692 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -19.966 10.843 -7.362 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -19.985 10.809 -6.384 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -19.176 10.326 -7.601 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -19.002 9.166 -10.961 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -18.245 8.582 -11.162 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -19.329 9.449 -11.851 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -23.663 7.480 -4.397 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -23.555 6.786 -5.082 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -24.495 7.911 -4.629 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -27.414 21.981 -20.535 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -28.057 22.230 -21.217 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -27.762 21.131 -20.176 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -15.537 16.715 -20.570 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -16.342 17.071 -21.018 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -14.804 17.247 -20.939 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -15.049 15.891 -16.735 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -14.344 15.905 -17.429 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -15.872 15.737 -17.239 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -14.849 11.527 -16.699 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -15.396 10.807 -17.080 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -13.981 11.098 -16.532 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -10.559 14.823 -8.279 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -11.254 15.480 -8.188 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -11.039 13.993 -8.502 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -25.567 10.351 -12.368 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -24.781 10.410 -11.784 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -25.299 10.830 -13.180 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -29.843 12.157 -7.833 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -29.674 12.272 -8.792 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -30.478 11.430 -7.792 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -27.301 11.565 -6.788 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -28.133 11.740 -7.266 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -27.398 12.065 -5.962 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -13.759 10.826 -9.629 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -13.522 10.196 -10.345 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -14.703 11.050 -9.808 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -14.427 8.350 -15.496 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -14.055 7.854 -14.733 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -13.678 8.912 -15.805 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -16.140 10.729 -6.633 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -16.804 10.346 -7.234 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -15.512 11.162 -7.219 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -6.767 -19.299 -43.776 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -6.656 -20.251 -43.739 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -6.559 -19.069 -44.711 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -1.348 -14.984 -45.981 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -0.476 -15.228 -46.299 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -1.814 -15.819 -45.897 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -6.221 -18.871 -46.424 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -6.971 -18.362 -46.810 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -5.685 -19.110 -47.182 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -8.859 -13.070 -44.823 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -9.275 -12.602 -44.074 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -8.626 -12.357 -45.450 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -7.513 -12.936 -42.046 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -8.421 -12.575 -42.127 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -7.367 -13.393 -42.885 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -7.550 -17.257 -42.087 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -8.364 -17.005 -42.559 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -7.168 -17.978 -42.636 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -10.405 -9.511 -46.842 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -10.274 -9.131 -47.739 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -9.611 -10.077 -46.705 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -5.001 -6.629 -50.360 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -4.362 -6.650 -51.076 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -4.454 -6.559 -49.549 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -12.922 -14.350 -40.907 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -13.071 -13.474 -40.501 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -12.048 -14.270 -41.327 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -8.236 -17.445 -47.566 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -9.047 -17.535 -48.082 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -8.454 -16.762 -46.898 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -12.990 -15.417 -46.691 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -12.638 -15.842 -45.897 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -12.352 -15.655 -47.392 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -5.232 -10.163 -42.825 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -4.617 -9.435 -42.605 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -4.963 -10.895 -42.222 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -7.155 -6.086 -42.502 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -6.497 -5.482 -42.092 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -6.617 -6.662 -43.087 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -13.970 -17.402 -39.837 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -13.824 -17.726 -40.737 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -13.114 -16.983 -39.592 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -11.350 -18.612 -43.926 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -11.655 -18.946 -43.069 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -10.808 -17.830 -43.698 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -12.334 -9.321 -50.311 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -12.095 -10.204 -50.018 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -11.577 -8.766 -50.041 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -10.077 -8.052 -49.141 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -10.313 -7.137 -48.892 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -9.109 -8.010 -49.310 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -9.273 -15.580 -45.790 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -9.425 -16.036 -44.945 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -9.112 -14.643 -45.526 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -7.688 -9.800 -43.894 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -8.225 -10.386 -43.311 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -6.789 -9.821 -43.492 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -4.325 -12.317 -41.396 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -4.989 -12.582 -40.728 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -3.824 -13.120 -41.561 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -5.654 -10.932 -47.508 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -5.209 -11.188 -46.662 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -5.181 -11.430 -48.184 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -8.132 -10.878 -46.324 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -7.317 -10.953 -46.868 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -7.835 -10.401 -45.514 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -5.930 -10.516 -26.898 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -6.068 -11.247 -27.530 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -5.162 -10.029 -27.265 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -3.669 -9.251 -27.787 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -3.232 -10.136 -27.800 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -3.076 -8.703 -27.253 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -6.877 -13.683 -27.674 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -6.514 -14.349 -27.053 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -6.113 -13.406 -28.206 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -5.992 -15.270 -25.552 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -6.733 -15.550 -24.984 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -5.542 -14.579 -25.034 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -7.658 -13.105 -23.732 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -7.904 -12.385 -24.354 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -6.679 -13.051 -23.681 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -15.736 -12.609 -32.151 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -16.479 -12.305 -31.598 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -15.882 -13.573 -32.239 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 3.568 -16.878 -22.568 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 3.747 -16.830 -21.610 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 3.494 -15.941 -22.843 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -5.489 -8.859 -24.737 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -4.691 -9.137 -24.249 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -5.598 -9.545 -25.428 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -2.539 -11.681 -27.414 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -2.872 -12.362 -26.811 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -1.668 -11.446 -27.045 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -10.763 -16.374 -23.172 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -11.513 -16.548 -23.778 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -10.761 -15.388 -23.071 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -13.435 -16.464 -27.708 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -12.938 -15.672 -27.982 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -13.571 -16.957 -28.548 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -12.835 -14.118 -29.172 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -13.250 -14.664 -29.857 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -13.568 -13.540 -28.848 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -11.283 -13.559 -32.711 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -10.769 -13.520 -31.887 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -11.983 -12.883 -32.584 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -7.980 -15.792 -23.597 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -8.928 -16.002 -23.504 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -7.956 -14.805 -23.620 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 2.773 -20.696 -24.559 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 2.509 -21.603 -24.743 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 3.719 -20.683 -24.733 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 5.406 -9.221 -19.130 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 4.777 -9.095 -19.870 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 6.258 -8.979 -19.500 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -6.005 -14.672 -18.191 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -6.076 -14.886 -17.244 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -6.858 -14.979 -18.571 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -2.101 -17.252 -20.122 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -1.729 -17.527 -20.989 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -1.354 -17.372 -19.497 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -12.159 -14.632 -19.764 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -12.521 -13.828 -19.330 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -12.843 -14.868 -20.435 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -6.159 -16.428 -21.625 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -5.619 -17.084 -22.113 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -6.797 -16.105 -22.296 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -1.026 -14.779 -23.604 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -0.420 -14.893 -22.844 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -0.607 -15.311 -24.326 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -12.373 -16.254 -36.514 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -11.971 -16.450 -37.396 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -12.597 -17.137 -36.154 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -4.853 -13.351 -23.808 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -4.466 -14.140 -23.369 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -4.074 -12.882 -24.180 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -8.217 -11.641 -34.020 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -8.332 -12.574 -34.222 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -8.023 -11.625 -33.059 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -2.339 -12.635 -24.654 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -1.843 -13.400 -24.279 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -1.641 -11.997 -24.901 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 1.504 -12.967 -25.104 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 0.701 -12.578 -25.480 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 1.729 -12.373 -24.356 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -8.855 -11.901 -27.966 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -8.950 -11.575 -27.049 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -8.188 -12.629 -27.890 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -6.066 -11.408 -37.491 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -6.331 -11.964 -38.254 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -5.213 -11.762 -37.229 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -7.178 -15.835 -39.803 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -7.198 -16.537 -39.144 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -7.188 -16.317 -40.668 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 -12.010 -13.828 -35.323 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 -11.589 -13.861 -34.432 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 -11.825 -14.708 -35.711 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -6.338 -13.190 -39.631 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -6.539 -14.146 -39.526 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -6.814 -12.941 -40.458 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -11.440 -16.839 -38.994 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -11.183 -17.690 -39.420 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -10.882 -16.168 -39.449 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -13.305 -11.508 -34.954 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -13.269 -11.405 -33.977 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -12.826 -12.350 -35.121 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -10.410 -13.686 -22.988 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -9.545 -13.296 -23.211 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -10.795 -13.058 -22.340 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -9.815 -15.182 -40.490 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -8.871 -15.176 -40.236 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -9.939 -14.333 -40.982 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 0.333 -16.274 -25.367 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 0.749 -17.060 -24.950 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 1.015 -15.926 -25.948 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -10.687 -14.729 -17.317 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -11.268 -14.356 -16.616 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -11.279 -14.835 -18.086 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -9.135 -18.719 -23.419 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -9.816 -18.031 -23.307 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -8.309 -18.223 -23.486 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -0.457 -17.645 -22.258 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -0.012 -16.827 -21.967 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 0.148 -18.017 -22.927 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -4.846 -17.824 -23.642 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -5.077 -17.601 -24.556 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -4.521 -18.755 -23.696 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 1.652 -18.223 -23.979 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 1.995 -19.114 -24.210 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 2.395 -17.799 -23.489 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -9.866 -21.379 -23.263 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -9.533 -21.700 -24.104 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -9.584 -20.437 -23.237 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -7.367 -9.674 -35.709 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -7.630 -10.398 -35.100 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -6.889 -10.135 -36.433 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -13.194 -11.648 -32.278 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -12.975 -11.120 -31.480 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -14.089 -12.012 -32.087 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 0.812 -15.233 -21.546 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 1.056 -15.180 -20.605 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 1.616 -14.930 -22.020 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 2.898 -14.232 -23.058 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 3.080 -13.311 -22.799 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 2.452 -14.147 -23.927 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -8.217 -10.938 -25.359 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -7.396 -10.697 -25.836 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -8.359 -10.199 -24.734 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -6.948 -6.856 -25.935 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -7.616 -6.618 -25.242 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -6.432 -7.589 -25.529 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -1.716 -8.434 -25.294 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -2.000 -7.488 -25.379 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -2.257 -8.779 -24.554 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -0.463 -10.869 -25.756 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -0.828 -9.967 -25.619 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 0.406 -10.710 -26.202 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 2.005 -10.733 -26.843 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 2.754 -10.126 -26.677 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 2.386 -11.616 -26.736 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -10.506 -12.736 -30.036 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -11.248 -13.280 -29.687 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -9.966 -12.529 -29.241 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -7.925 -11.801 -31.246 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -8.692 -12.301 -30.914 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -7.960 -10.954 -30.751 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -5.543 -8.472 -29.811 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -4.824 -8.637 -29.168 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -6.240 -9.103 -29.555 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 2.227 -11.462 -22.933 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 2.385 -10.553 -23.269 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 1.939 -11.328 -22.009 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -10.464 -19.149 -9.753 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -11.006 -18.466 -9.338 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -9.541 -18.846 -9.609 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -7.916 -18.109 -9.683 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -7.091 -18.474 -10.021 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -8.050 -17.283 -10.210 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -11.432 -22.203 -21.188 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -10.828 -21.836 -21.874 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -11.701 -23.054 -21.543 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 2.490 -11.182 -13.426 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 2.310 -11.886 -14.095 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 2.678 -11.669 -12.609 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -6.733 -11.006 -13.264 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -7.054 -10.096 -13.070 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -5.798 -10.994 -12.976 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 1.938 -15.638 -16.068 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 0.962 -15.698 -15.908 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 2.303 -16.386 -15.583 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -8.066 -14.456 -6.052 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -7.996 -15.315 -6.540 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -9.015 -14.342 -5.916 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -12.434 -13.547 -15.582 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -13.322 -13.872 -15.817 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -12.498 -12.579 -15.687 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 5.602 -12.004 -9.277 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 6.253 -11.590 -9.850 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 4.751 -11.866 -9.740 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 1.934 -12.954 -15.431 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 1.751 -12.625 -16.334 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 2.019 -13.919 -15.544 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 0.097 -17.534 -18.559 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 0.764 -18.160 -18.932 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -0.232 -17.985 -17.753 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -3.881 -20.369 -23.837 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -4.164 -21.283 -23.941 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -2.940 -20.432 -23.637 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -8.445 -15.954 -11.252 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -8.315 -16.087 -12.221 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -9.087 -15.241 -11.196 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 2.973 -11.558 -10.182 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 2.555 -12.091 -9.481 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 2.827 -10.635 -9.900 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -5.842 -12.482 -8.793 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -6.381 -13.236 -9.048 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -6.025 -12.368 -7.839 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -8.261 -16.844 -7.250 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -8.095 -17.409 -8.027 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -8.736 -17.434 -6.619 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -4.037 -10.919 -12.709 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -3.994 -10.773 -11.738 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -3.403 -10.268 -13.080 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -5.816 -15.429 -15.507 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -6.352 -14.671 -15.170 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -4.908 -15.208 -15.247 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -12.078 -15.792 -3.672 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -12.210 -16.760 -3.593 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -12.761 -15.408 -3.084 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -4.075 -10.740 -9.921 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -3.330 -10.911 -9.308 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -4.772 -11.376 -9.630 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 1.457 -12.484 -18.161 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 1.434 -13.376 -18.551 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 1.597 -11.891 -18.927 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -2.158 -9.261 -14.048 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -1.265 -9.460 -13.709 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -2.229 -8.285 -13.974 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -14.005 -14.772 -5.540 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -13.186 -15.054 -5.101 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -14.679 -15.401 -5.214 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 2.147 -18.812 -19.775 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 2.255 -19.312 -20.591 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 2.806 -18.094 -19.842 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -7.997 -15.649 -19.718 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -8.851 -16.108 -19.877 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -7.387 -16.042 -20.378 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 2.671 -11.479 -3.509 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 2.613 -11.371 -2.530 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 1.761 -11.320 -3.820 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -9.657 -18.219 -5.378 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -10.488 -18.689 -5.205 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -9.505 -17.691 -4.569 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -1.146 -18.532 -16.311 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -2.084 -18.689 -16.589 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -0.976 -19.220 -15.659 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 0.782 -14.173 -5.696 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 1.697 -14.272 -5.333 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 0.198 -14.425 -4.940 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -10.205 -20.662 -12.096 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -9.699 -20.109 -12.696 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -10.325 -20.106 -11.299 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -0.713 -15.855 -15.750 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -1.463 -15.298 -16.034 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -1.002 -16.768 -15.951 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -12.116 -18.490 -3.111 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -11.332 -18.746 -2.577 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -12.136 -19.150 -3.839 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -1.188 -13.620 -7.591 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -0.513 -13.894 -6.942 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -2.022 -13.905 -7.200 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -7.122 -13.393 -14.357 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -7.090 -12.494 -13.939 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -7.915 -13.800 -13.982 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -5.987 -17.668 -17.148 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -6.931 -17.711 -17.348 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -5.907 -16.912 -16.533 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -4.326 -12.911 -14.653 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -4.077 -12.277 -13.947 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -5.296 -12.960 -14.594 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 2.081 -13.404 -8.115 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 1.708 -14.061 -8.714 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 1.590 -13.536 -7.281 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 1.491 -15.231 -18.748 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 0.847 -15.980 -18.776 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 1.757 -15.187 -17.801 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 0.263 -11.511 -5.143 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 0.376 -12.467 -5.299 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 0.825 -11.087 -5.837 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -8.111 -16.263 -13.937 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -7.232 -16.223 -14.347 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -8.702 -16.546 -14.672 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -2.455 -13.764 -16.451 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -3.188 -13.473 -15.859 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -1.691 -13.266 -16.141 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 2.777 -8.951 -9.025 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 3.095 -8.653 -9.913 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 2.875 -8.159 -8.459 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -0.748 -14.381 -3.493 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -0.540 -14.893 -2.683 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -1.256 -13.628 -3.172 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 3.728 -16.494 -19.816 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 2.984 -15.987 -19.429 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 4.510 -16.139 -19.378 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -12.503 -10.630 -1.846 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -13.012 -11.386 -1.487 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -12.727 -10.624 -2.802 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -6.370 -12.361 -6.085 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -6.809 -11.781 -5.448 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -6.923 -13.178 -6.085 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -10.057 -18.941 -1.373 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -9.232 -19.401 -1.187 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -10.681 -19.281 -0.685 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -3.672 -19.105 -17.010 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -4.495 -18.563 -17.035 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -3.890 -19.884 -17.529 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -3.532 -15.546 -22.850 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -2.610 -15.421 -23.177 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -3.790 -16.430 -23.189 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -9.105 -13.209 -18.942 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -8.608 -13.935 -19.360 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -9.608 -13.646 -18.229 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 4.286 -10.536 -5.469 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 4.554 -11.342 -5.968 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 3.837 -10.889 -4.668 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 4.511 -12.817 -6.925 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 3.677 -13.079 -7.369 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 5.118 -12.602 -7.671 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -11.643 -22.802 -11.221 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -11.725 -23.455 -11.917 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -11.108 -22.082 -11.626 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 0.462 -9.461 -12.818 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 0.936 -8.646 -12.592 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 1.168 -10.061 -13.158 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -2.258 -11.098 -7.882 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -1.658 -11.863 -8.010 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -2.841 -11.378 -7.139 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 1.930 -10.351 -6.885 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 2.167 -9.947 -7.746 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 2.772 -10.371 -6.393 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 3.271 -13.897 -4.668 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 3.185 -13.078 -4.141 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 3.956 -13.684 -5.332 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -0.410 -16.793 6.246 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -0.510 -17.728 6.502 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -0.700 -16.770 5.314 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -0.887 -19.547 6.683 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -1.702 -19.875 6.242 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -0.184 -20.089 6.308 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -11.227 -20.906 10.365 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -11.603 -21.400 9.605 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -10.788 -21.598 10.907 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -0.602 -11.491 7.466 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -0.667 -12.460 7.324 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -1.295 -11.304 8.143 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -5.300 -22.266 4.735 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -5.891 -23.007 4.593 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -5.289 -22.148 5.708 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -10.602 -24.405 7.686 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -9.733 -24.467 8.093 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -10.700 -25.253 7.199 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -5.498 -16.090 4.689 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -5.241 -16.027 3.768 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -4.879 -16.741 5.068 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 0.212 -11.371 4.750 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 0.157 -11.481 5.718 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -0.412 -10.661 4.559 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -4.169 -23.133 9.603 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -4.066 -22.855 10.543 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -3.892 -24.052 9.599 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -13.914 -12.560 -0.460 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -13.407 -12.266 0.327 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -14.703 -13.005 -0.085 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 0.078 -8.705 8.363 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -0.347 -8.647 9.243 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 0.210 -9.657 8.224 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -1.752 -16.807 3.784 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -1.783 -15.827 3.889 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -1.452 -16.936 2.854 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -1.195 -14.250 7.040 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -1.967 -14.604 7.518 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -0.680 -15.052 6.798 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -4.689 -12.736 11.901 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -4.335 -13.434 11.302 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -3.946 -12.540 12.503 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 0.515 -13.119 2.675 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -0.064 -13.839 2.987 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 0.469 -12.452 3.399 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -6.555 -13.295 13.792 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -5.968 -13.074 13.032 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -7.244 -13.878 13.402 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -2.178 -18.707 -0.307 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -3.076 -18.802 -0.635 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -1.717 -19.481 -0.643 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -9.779 -16.575 11.000 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -10.713 -16.829 10.867 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -9.436 -16.450 10.094 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -2.525 -10.907 9.243 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -2.506 -10.865 10.216 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -3.458 -11.111 9.029 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -1.677 -14.151 4.208 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -1.566 -13.896 5.142 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -2.090 -13.361 3.788 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 2.257 -11.385 -0.845 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 1.575 -12.074 -0.716 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 2.772 -11.406 -0.008 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 2.841 -11.918 1.755 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 2.074 -12.462 2.035 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 3.189 -11.563 2.576 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -4.561 -19.088 8.150 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -4.517 -18.652 7.282 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -3.696 -18.872 8.567 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -3.545 -17.816 5.612 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -3.460 -18.784 5.474 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -2.901 -17.429 4.971 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -5.560 -19.227 10.746 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -5.342 -19.293 9.792 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -6.366 -19.781 10.847 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -1.563 -17.832 11.844 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -0.669 -17.511 12.005 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -2.119 -17.316 12.472 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -10.636 -26.837 6.397 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -10.946 -27.666 6.776 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -10.449 -27.050 5.478 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -7.118 -17.125 14.010 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -7.471 -16.738 14.852 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -6.393 -17.726 14.310 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -3.181 -20.549 5.471 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -3.651 -20.959 4.721 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -3.582 -20.976 6.257 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -4.790 -21.706 7.395 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -4.916 -20.824 7.801 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -4.605 -22.298 8.163 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -0.978 -16.771 1.154 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -1.442 -17.496 0.684 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -0.612 -16.223 0.437 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -3.930 -14.839 10.379 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -3.624 -15.230 9.536 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -4.369 -15.581 10.841 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 0.023 -12.789 -0.012 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 -0.360 -11.895 -0.114 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 0.106 -12.904 0.964 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -8.088 -20.435 10.969 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -8.441 -19.835 11.668 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -8.773 -20.430 10.285 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -4.838 -18.547 14.483 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -4.210 -17.810 14.572 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -4.380 -19.178 13.894 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -2.098 -18.362 9.018 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -1.462 -18.853 8.459 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -1.680 -18.341 9.901 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -11.695 -20.278 0.361 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -11.991 -21.127 0.023 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -12.197 -20.164 1.194 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -3.169 -16.053 7.983 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -3.364 -16.353 7.077 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -2.699 -16.814 8.389 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -12.784 -19.203 4.991 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -12.854 -19.679 4.143 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -12.923 -18.262 4.746 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -3.737 -22.524 12.218 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -3.461 -22.878 13.067 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -3.629 -21.552 12.317 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -11.630 -9.435 14.694 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -12.435 -9.475 15.215 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -11.838 -9.963 13.887 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -4.403 -14.389 15.092 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -5.201 -13.990 14.674 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -4.652 -14.495 16.018 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -3.667 -12.112 -5.816 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -4.618 -12.299 -5.982 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -3.605 -12.049 -4.858 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -9.020 -18.577 12.693 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -8.306 -18.146 13.211 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -9.346 -17.867 12.101 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -7.261 -14.779 -3.380 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -7.903 -15.468 -3.126 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -7.411 -14.656 -4.333 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -3.258 -16.487 13.629 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -3.981 -16.517 12.966 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -3.510 -15.751 14.223 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 0.084 -15.275 -1.015 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -0.007 -14.382 -0.604 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 1.037 -15.398 -1.102 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -12.978 -18.386 12.835 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -12.606 -18.322 11.926 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -13.780 -18.910 12.725 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -10.822 -17.117 8.025 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -10.959 -18.007 7.618 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -9.911 -16.881 7.780 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -5.349 -16.730 11.856 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -6.064 -16.701 12.522 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -5.452 -17.614 11.435 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -3.452 -19.825 12.423 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -2.706 -19.228 12.217 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -4.143 -19.582 11.768 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -9.420 -16.676 -3.033 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -9.597 -17.307 -2.310 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -10.265 -16.197 -3.146 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -12.020 -18.329 10.258 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -11.691 -18.021 9.390 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -11.758 -19.284 10.289 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -9.598 -22.671 11.689 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -9.287 -23.309 12.336 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -8.853 -22.049 11.586 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -8.450 -14.993 12.828 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -8.068 -15.729 13.346 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -8.999 -15.440 12.150 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -1.679 -10.869 11.894 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -2.158 -11.263 12.656 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -1.035 -11.545 11.649 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -8.378 -11.542 12.467 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -8.661 -10.697 12.877 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -7.758 -11.923 13.112 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -1.772 -9.150 6.065 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -1.378 -9.743 6.726 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -1.540 -8.256 6.378 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -2.743 -12.479 13.884 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -3.247 -13.204 14.307 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -2.033 -12.274 14.532 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -2.349 -10.074 -2.357 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -1.626 -10.112 -1.695 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -1.894 -9.871 -3.199 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -8.311 -15.835 16.043 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -9.225 -16.175 16.177 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -8.376 -14.900 16.255 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -5.195 -4.010 -48.053 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -4.687 -4.846 -48.068 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -4.595 -3.362 -48.429 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -10.620 -1.781 -47.502 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -11.044 -0.913 -47.697 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -10.314 -2.100 -48.373 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -7.552 -5.281 -47.497 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -7.578 -5.218 -46.515 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -6.802 -4.696 -47.753 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -4.590 -11.514 -45.113 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -4.872 -10.985 -44.335 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -4.207 -12.311 -44.730 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -5.792 -8.231 -47.055 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -6.470 -7.979 -47.716 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -5.668 -9.193 -47.199 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -1.453 -8.474 -44.115 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -1.740 -9.055 -44.829 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -0.493 -8.558 -44.111 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -9.495 -2.672 -45.150 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -9.910 -2.309 -45.965 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -8.637 -2.188 -45.085 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -7.839 -4.884 -44.844 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -7.875 -5.267 -43.944 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -8.503 -4.161 -44.830 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -14.598 -4.610 -45.865 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -13.743 -4.322 -46.257 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -14.866 -3.860 -45.296 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -3.882 -6.434 -47.869 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -4.474 -7.154 -47.561 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -3.489 -6.079 -47.044 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -11.117 -4.556 -40.256 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -10.201 -4.910 -40.256 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -11.109 -3.867 -39.556 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -6.955 -1.662 -44.958 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -6.502 -0.848 -45.196 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -6.233 -2.306 -44.814 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -3.393 -5.263 -45.450 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -4.012 -4.558 -45.149 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -2.545 -5.011 -45.066 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -5.352 -7.060 -44.524 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -4.720 -6.418 -44.902 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -5.678 -7.558 -45.304 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -5.349 -3.794 -44.236 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -5.345 -3.886 -43.259 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -6.156 -4.275 -44.519 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -3.657 -7.935 -42.544 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -4.224 -7.556 -43.251 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -2.779 -8.042 -42.974 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -11.936 -6.953 -39.272 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -11.712 -6.087 -39.665 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -12.886 -6.871 -39.041 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -4.735 -8.046 -40.028 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -4.216 -8.747 -39.618 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -4.321 -7.926 -40.914 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -7.349 -7.900 -39.063 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -6.459 -8.089 -39.434 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -7.159 -7.472 -38.199 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -13.541 -7.519 -36.118 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -14.427 -7.626 -35.724 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -13.708 -7.049 -36.952 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -10.122 -3.473 -49.791 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -10.918 -3.249 -50.332 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -9.389 -3.419 -50.415 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -10.251 -5.512 -47.965 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -9.319 -5.496 -47.647 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -10.263 -4.840 -48.687 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -7.371 -7.386 -49.188 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -6.614 -7.201 -49.791 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -7.459 -6.565 -48.657 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -9.439 -9.245 -40.339 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -8.646 -8.870 -39.900 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -9.092 -9.964 -40.887 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -6.373 -3.115 -29.462 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -6.349 -2.940 -28.504 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -6.174 -2.244 -29.867 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -10.643 -4.048 -32.578 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -10.211 -3.188 -32.477 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -10.474 -4.291 -33.517 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -10.270 -1.101 -33.095 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -10.242 -1.256 -32.122 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -9.525 -0.515 -33.260 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -0.085 -3.349 -27.197 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 0.462 -4.143 -27.028 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -0.762 -3.656 -27.846 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -8.573 -7.492 -28.102 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -8.032 -7.344 -27.302 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -8.318 -6.756 -28.701 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -10.222 -3.717 -28.485 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -9.481 -3.947 -27.880 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -10.326 -4.514 -29.048 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -5.556 1.801 -25.338 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -4.829 1.536 -24.734 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -6.260 2.111 -24.740 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -8.132 -4.306 -26.744 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -7.470 -3.587 -26.661 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -7.641 -5.110 -26.514 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 3.278 -6.813 -27.497 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 2.706 -6.212 -26.972 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 3.109 -6.562 -28.409 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -4.648 -5.732 -27.124 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -5.046 -4.943 -27.509 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -5.410 -6.251 -26.802 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -0.544 -1.512 -21.182 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -0.444 -2.003 -20.332 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -0.178 -0.639 -20.992 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -5.071 0.788 -27.817 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -5.418 1.167 -26.973 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -4.166 1.110 -27.860 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -6.712 0.080 -22.684 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -6.969 0.933 -23.085 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -6.872 0.206 -21.744 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -5.632 5.635 -22.534 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -5.054 6.158 -23.097 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -5.123 4.811 -22.363 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -12.985 6.974 -29.651 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -12.275 6.587 -29.090 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -12.506 7.363 -30.403 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 0.377 -3.445 -22.946 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 0.135 -2.692 -22.364 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 1.221 -3.166 -23.366 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -10.611 5.707 -23.918 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -11.226 5.555 -23.192 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -9.731 5.522 -23.527 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -8.087 -9.745 -29.507 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -8.353 -10.472 -28.898 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -8.319 -8.925 -29.013 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 2.622 -3.002 -24.502 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 2.302 -2.366 -25.189 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 3.578 -2.883 -24.500 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -6.081 -2.392 -26.743 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -5.838 -2.390 -25.782 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -5.884 -1.488 -27.032 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -5.869 -0.467 -30.106 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -5.682 0.188 -30.784 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -5.616 -0.021 -29.264 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -0.409 -5.875 -22.012 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -0.202 -4.982 -22.372 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -1.040 -5.695 -21.277 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -8.630 -5.746 -40.196 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -8.186 -5.772 -41.069 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -8.278 -6.536 -39.732 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 1.654 -1.379 -26.443 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 0.971 -1.989 -26.804 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 1.595 -0.599 -27.002 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -10.260 -5.711 -30.421 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -10.503 -5.193 -31.223 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -9.281 -5.709 -30.423 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -6.832 -6.155 -36.955 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -7.489 -5.433 -37.008 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -6.891 -6.465 -36.023 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 1.657 -5.214 -25.982 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 1.999 -4.517 -25.389 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 1.305 -5.898 -25.370 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -5.585 -4.107 -41.486 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -5.684 -3.198 -41.184 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -5.396 -4.615 -40.656 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -7.588 2.566 -23.565 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -8.393 2.487 -24.090 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -7.717 3.392 -23.054 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -7.524 -5.592 -29.836 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -7.151 -4.681 -29.790 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -6.824 -6.114 -30.253 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -2.529 -5.874 -25.369 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -3.284 -5.756 -25.983 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -2.266 -4.959 -25.136 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -2.763 -1.494 -23.169 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -2.452 -2.125 -23.855 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -2.098 -1.568 -22.460 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -10.780 -2.583 -38.302 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -11.039 -1.836 -38.893 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -11.019 -2.266 -37.405 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -10.970 6.551 -27.851 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -11.266 6.918 -26.995 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -10.065 6.272 -27.689 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -1.557 -3.330 -24.858 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -0.845 -3.470 -24.199 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -1.079 -3.201 -25.705 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -5.342 -5.502 -39.212 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -5.742 -5.616 -38.326 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -5.026 -6.399 -39.447 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 2.664 -8.879 -23.793 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 1.951 -8.234 -23.999 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 3.171 -8.949 -24.631 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -8.935 -4.513 -37.716 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -9.512 -3.743 -37.920 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -8.680 -4.858 -38.595 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -12.347 -10.425 -29.973 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -11.920 -9.572 -29.710 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -11.618 -11.071 -29.950 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -7.152 6.109 -17.941 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -6.680 5.496 -18.548 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -6.544 6.193 -17.170 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -3.625 1.137 -23.497 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -3.490 0.168 -23.552 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -2.997 1.422 -22.805 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -5.421 -1.904 -24.158 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -5.919 -1.229 -23.646 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -4.523 -1.869 -23.784 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -2.407 1.484 -21.030 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -2.592 0.559 -20.832 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -1.778 1.761 -20.319 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -2.091 -4.321 -28.815 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -2.742 -3.900 -29.385 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -2.451 -5.201 -28.650 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -0.113 -2.692 -18.718 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 0.557 -3.234 -18.250 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -0.961 -2.947 -18.296 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -12.412 6.772 -35.790 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -12.357 7.301 -34.965 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -12.754 5.909 -35.495 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -13.544 5.582 -32.651 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -13.670 4.957 -33.388 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -14.317 5.437 -32.077 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -9.746 -1.788 -30.496 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -8.891 -1.541 -30.124 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -10.099 -2.446 -29.860 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -11.104 -8.111 -29.229 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -11.063 -7.295 -29.767 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -10.354 -8.023 -28.614 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -12.573 -2.594 -27.631 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -11.771 -3.032 -27.992 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -12.242 -2.062 -26.905 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 3.562 -8.841 -21.173 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 2.988 -8.083 -20.926 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 3.452 -8.912 -22.145 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -8.340 5.171 -22.415 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -8.623 5.572 -21.559 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -7.402 5.445 -22.507 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 4.056 -9.021 -26.177 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 3.779 -8.221 -26.691 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 5.010 -9.061 -26.302 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -10.060 13.089 -27.472 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -10.620 12.378 -27.089 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -9.201 12.676 -27.584 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -11.288 8.876 -31.104 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -11.910 9.567 -30.783 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -10.425 9.181 -30.810 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 0.584 -7.131 -24.313 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -0.159 -7.599 -24.744 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 0.181 -6.728 -23.513 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -7.361 -8.092 -31.875 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -7.943 -8.677 -31.370 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -6.527 -8.089 -31.364 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -5.573 -11.908 -29.453 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -6.212 -11.988 -30.186 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -4.727 -11.753 -29.890 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -7.436 -7.224 -34.480 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -7.321 -7.387 -33.519 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -7.334 -8.112 -34.887 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 0.638 0.684 -7.724 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 0.214 -0.143 -8.048 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 0.323 1.362 -8.327 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -8.154 -0.108 -11.705 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -8.944 -0.252 -11.129 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -7.569 0.464 -11.167 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 4.498 -7.871 -5.157 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 5.454 -7.746 -5.158 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 4.385 -8.851 -5.217 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 0.133 -6.247 -12.130 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -0.182 -5.456 -11.637 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -0.606 -6.462 -12.734 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 2.955 -5.386 -14.800 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 3.465 -6.191 -14.973 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 3.037 -5.256 -13.830 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -5.514 -3.650 -9.903 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -6.367 -3.546 -9.448 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -5.438 -2.836 -10.453 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -9.479 2.035 -7.408 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -9.904 1.213 -7.719 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -9.044 2.393 -8.198 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 2.742 -5.536 -11.967 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 2.817 -5.227 -11.037 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 1.808 -5.835 -12.043 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -11.224 4.457 -9.531 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -11.351 3.521 -9.784 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -11.319 4.454 -8.548 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 2.877 -6.043 -3.926 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 3.454 -6.772 -4.237 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 2.302 -6.459 -3.257 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -1.847 -3.622 -14.781 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -1.723 -3.132 -13.958 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -1.031 -4.162 -14.863 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -0.870 2.035 -18.890 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 0.080 1.986 -18.631 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -1.281 2.525 -18.171 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 2.663 -2.159 -6.064 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 3.207 -1.891 -6.813 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 2.315 -1.310 -5.703 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -6.435 1.159 -9.963 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -6.886 2.032 -9.921 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -6.733 0.696 -9.150 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -11.342 1.952 -10.730 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -10.728 2.370 -11.366 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -10.918 1.092 -10.516 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 1.593 1.870 -17.780 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 2.416 2.197 -17.409 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 1.639 0.894 -17.646 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -7.591 -0.535 -8.120 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -7.526 -1.379 -8.611 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -8.555 -0.417 -7.985 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 4.040 -8.987 -14.045 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 3.497 -9.785 -13.885 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 4.482 -9.169 -14.901 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -8.007 6.000 -9.972 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -8.059 6.472 -10.830 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -8.602 6.494 -9.391 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 3.856 -1.644 -1.690 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 3.492 -2.256 -2.369 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 4.805 -1.685 -1.820 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -10.171 5.126 -4.369 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -9.928 4.325 -3.850 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -9.626 5.840 -3.969 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 1.185 -4.331 -6.889 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 1.702 -3.536 -6.629 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 0.425 -4.330 -6.272 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 -2.354 -3.688 -17.488 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 -2.180 -3.628 -16.519 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 -3.314 -3.634 -17.558 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 0.209 -3.243 -3.064 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 1.190 -3.221 -3.116 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 0.019 -3.183 -2.102 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -1.893 -6.509 -13.978 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -2.615 -5.871 -14.057 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -1.201 -6.168 -14.586 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -0.676 -1.567 -8.618 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -1.411 -1.612 -9.242 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -1.021 -2.010 -7.815 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -9.751 3.155 -2.551 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -9.810 2.183 -2.460 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -10.348 3.498 -1.856 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 -0.720 -4.021 -10.756 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 -1.557 -3.865 -10.259 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 -0.079 -3.438 -10.325 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 -2.877 -3.623 -9.147 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 -3.838 -3.678 -9.355 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 -2.851 -3.332 -8.211 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 1.798 -3.908 -17.057 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 2.390 -4.231 -16.348 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 2.208 -4.250 -17.889 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -8.233 -2.635 -9.693 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -8.988 -2.016 -9.781 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -8.350 -3.264 -10.433 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -0.561 -1.302 -4.903 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 0.206 -0.698 -4.933 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -0.356 -1.913 -4.169 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -8.132 3.285 -10.019 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -7.967 4.224 -9.777 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -8.637 3.344 -10.853 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -5.629 -1.281 -11.204 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -6.550 -1.231 -11.513 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -5.502 -0.449 -10.713 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 -6.167 5.554 -13.441 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 -6.337 4.776 -12.903 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 -6.829 6.206 -13.131 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 -11.594 4.593 -6.838 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 -10.934 4.179 -6.255 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 -11.589 5.525 -6.573 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 -5.302 6.155 -15.961 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 -5.658 5.926 -15.072 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 -4.352 6.105 -15.854 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 0.233 -5.329 -15.224 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 0.522 -4.935 -16.069 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 1.075 -5.538 -14.765 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 -1.961 -5.411 -19.772 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 -1.881 -4.684 -19.132 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 -2.689 -5.956 -19.419 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 -2.124 -2.760 -6.610 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 -1.838 -2.024 -6.024 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 -1.864 -3.566 -6.117 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 -0.259 -7.169 -4.582 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 -0.711 -8.046 -4.598 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 0.138 -7.120 -3.685 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 2.451 -5.129 -9.249 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 1.889 -4.658 -8.607 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 2.863 -5.839 -8.723 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 -5.860 4.745 -19.897 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 -5.379 4.006 -20.308 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 -5.949 5.394 -20.614 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 -13.255 4.732 -16.226 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -12.984 4.836 -17.148 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 -14.009 4.117 -16.266 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 -8.878 6.981 -2.775 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 -8.044 6.996 -2.302 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 -9.558 6.955 -2.065 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 -4.415 3.245 -21.796 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 -3.639 2.865 -21.336 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 -4.573 2.628 -22.534 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 -6.794 -0.679 -5.477 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 -6.793 -0.625 -6.455 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 -7.685 -0.367 -5.227 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 -9.431 0.164 -5.300 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 -9.362 1.071 -5.658 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 -9.793 -0.358 -6.053 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 1.697 0.298 -5.288 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 1.330 0.551 -6.173 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 1.918 1.139 -4.874 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 1.920 -1.373 0.205 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 2.184 -0.626 0.746 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 2.641 -1.456 -0.461 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 -0.906 -4.650 -5.133 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 -0.798 -5.582 -4.837 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 -0.649 -4.119 -4.343 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 0.746 -6.686 -2.080 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 0.416 -7.148 -1.278 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 0.603 -5.749 -1.887 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 -8.914 6.506 -20.055 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 -9.190 7.384 -19.757 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 -8.361 6.170 -19.319 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 -11.689 10.098 -13.756 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 -12.105 10.983 -13.591 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 -11.810 9.955 -14.729 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 1.582 -0.826 -17.508 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 2.038 -1.558 -17.075 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 0.849 -1.254 -17.985 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 1.588 -7.053 -20.571 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 1.034 -7.668 -20.050 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 0.950 -6.620 -21.181 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 2.927 -6.832 -7.151 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 2.544 -6.068 -6.688 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 3.504 -7.253 -6.477 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 2.899 -3.351 -3.606 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 2.918 -2.993 -4.520 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 2.989 -4.326 -3.728 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 2.558 -4.706 -19.521 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 2.643 -4.185 -20.324 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 2.330 -5.605 -19.841 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 4.727 -9.864 -16.555 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 4.096 -10.560 -16.754 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 5.053 -9.576 -17.438 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 -11.646 4.038 -0.775 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 -11.893 3.154 -0.433 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 -12.497 4.495 -0.900 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 -1.514 -9.510 -4.868 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 -2.331 -9.540 -5.402 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 -1.021 -10.323 -5.129 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -11.671 5.094 -13.920 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -12.112 4.967 -14.786 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -11.268 5.986 -13.984 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 -9.993 3.904 -12.057 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 -10.452 4.234 -12.861 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 -10.414 4.394 -11.326 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 3.611 -8.111 -11.466 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 3.466 -7.161 -11.637 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 3.919 -8.463 -12.331 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 -0.862 -10.568 -10.700 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 -0.355 -10.160 -11.436 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 -1.159 -11.410 -11.057 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 1.697 -10.689 -20.292 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 1.034 -10.054 -19.960 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 2.494 -10.139 -20.453 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 -10.436 7.563 -13.983 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 -10.896 8.311 -13.565 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 -10.390 7.822 -14.939 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 -0.155 -10.091 -0.690 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 0.798 -10.283 -0.801 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 -0.173 -9.212 -0.252 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 -9.298 -3.288 -2.456 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 -8.490 -3.852 -2.456 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 -8.948 -2.381 -2.364 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 -6.763 -5.533 4.930 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 -7.647 -5.393 4.541 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 -6.940 -5.640 5.896 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 -7.094 -6.285 7.537 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 -6.327 -6.838 7.782 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 -7.690 -6.347 8.312 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 -11.081 -2.655 6.092 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 -10.365 -2.030 6.246 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 -11.190 -2.661 5.111 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 -12.010 1.243 -0.292 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 -12.910 0.951 -0.563 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 -11.423 0.878 -0.979 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 -5.505 -8.018 5.111 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 -5.295 -7.964 6.068 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 -6.002 -7.195 4.929 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 0.060 -3.270 -0.287 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 0.170 -3.889 0.462 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 0.671 -2.523 -0.072 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 -1.077 -8.388 10.884 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 -0.412 -8.101 11.520 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 -1.401 -9.245 11.244 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 -9.785 -5.107 3.869 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 -10.250 -4.309 3.552 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 -10.111 -5.822 3.283 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 -11.594 -2.859 3.449 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 -11.779 -2.105 2.849 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 -12.452 -3.331 3.507 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 -9.737 -7.733 -0.169 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 -10.029 -6.811 -0.379 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 -9.015 -7.896 -0.793 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 -4.122 -4.761 4.047 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 -4.299 -3.819 4.139 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 -4.955 -5.190 4.339 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 -10.400 -5.152 -0.719 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 -10.049 -4.516 -1.373 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 -11.100 -4.661 -0.263 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 -2.913 -5.411 1.578 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 -3.430 -5.130 2.360 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 -2.832 -6.382 1.683 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 -6.742 -4.206 -2.293 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 -6.039 -4.883 -2.186 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 -6.280 -3.448 -2.701 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 -0.184 -5.195 1.772 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 -0.135 -5.385 2.724 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 -1.146 -5.198 1.580 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 -12.324 -2.770 -0.031 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 -12.590 -3.578 0.461 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 -12.439 -2.048 0.620 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 -8.823 -7.100 9.580 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 -9.657 -6.621 9.360 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 -9.113 -7.810 10.193 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 -0.741 -6.593 6.864 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 -0.220 -7.283 7.336 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 -0.877 -5.908 7.526 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 -1.499 -6.105 4.261 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 -1.188 -6.249 5.182 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 -2.336 -5.613 4.365 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1186 -2.779 -11.926 2.993 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1186 -3.338 -11.834 2.198 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1186 -2.917 -11.087 3.475 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1187 -0.252 -7.574 0.353 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1187 0.104 -6.782 0.803 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1187 -0.992 -7.862 0.936 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1188 -7.728 -1.066 -1.934 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1188 -7.429 -1.354 -1.064 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1188 -6.966 -1.256 -2.523 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1189 -9.688 -11.826 6.928 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1189 -10.662 -11.703 6.874 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1189 -9.362 -11.542 6.048 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1190 -9.943 0.428 -2.467 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1190 -9.136 -0.029 -2.148 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1190 -9.923 0.293 -3.435 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1191 -5.567 -1.925 -3.424 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1191 -5.977 -1.525 -4.232 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1191 -4.619 -1.830 -3.570 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1192 -2.502 -4.188 -0.843 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1192 -2.777 -4.563 0.018 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1192 -1.662 -3.733 -0.648 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1193 -4.986 -8.124 7.810 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1193 -4.285 -7.710 8.368 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1193 -4.975 -9.056 8.070 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1194 -3.177 -7.091 9.579 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1194 -2.422 -7.583 9.966 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1194 -3.435 -6.473 10.270 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1195 -0.684 -12.028 15.641 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1195 0.171 -12.468 15.697 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1195 -0.717 -11.469 16.424 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1196 -10.782 6.661 -0.851 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1196 -11.702 6.886 -1.068 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1196 -10.813 5.704 -0.662 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1197 -11.367 -5.421 6.174 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1197 -11.364 -4.452 6.317 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1197 -10.708 -5.554 5.462 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1198 -13.580 -7.017 5.436 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1198 -12.744 -6.617 5.758 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1198 -13.949 -6.347 4.844 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1199 -9.783 -9.401 10.718 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1199 -9.804 -9.388 11.697 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1199 -10.698 -9.637 10.461 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1200 -3.533 -9.566 4.119 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1200 -4.281 -8.963 4.347 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1200 -2.906 -9.464 4.877 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1201 -2.111 -7.956 2.327 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1201 -2.677 -8.642 2.734 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1201 -1.769 -7.444 3.094 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1202 -9.229 -9.116 13.477 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1202 -8.863 -8.302 13.840 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1202 -10.062 -9.254 13.989 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1203 -10.235 9.925 -24.398 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1203 -10.612 10.504 -25.086 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1203 -10.592 9.049 -24.605 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1204 -12.946 15.578 -29.497 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1204 -12.408 15.617 -28.672 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1204 -12.359 15.930 -30.177 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1205 -12.558 7.988 -33.339 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1205 -12.925 7.121 -33.036 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1205 -11.921 8.236 -32.637 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1206 -10.620 17.830 -26.154 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1206 -10.764 16.991 -26.643 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1206 -9.751 18.123 -26.437 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1207 -11.311 15.462 -27.313 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1207 -11.887 15.260 -26.544 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1207 -10.784 14.636 -27.440 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1208 -10.414 17.096 -21.541 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1208 -10.219 16.785 -20.625 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1208 -9.739 16.675 -22.080 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1209 -9.862 16.034 -19.125 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1209 -8.977 16.252 -18.766 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1209 -10.128 15.246 -18.625 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1210 -9.328 9.986 -21.786 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1210 -9.718 10.162 -22.669 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1210 -8.792 9.201 -21.921 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1211 -13.095 15.205 -25.249 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1211 -13.287 14.924 -24.323 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1211 -12.968 16.173 -25.175 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1212 -11.697 11.129 -26.501 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1212 -12.036 10.399 -27.057 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1212 -12.470 11.728 -26.397 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1213 -11.833 7.639 -25.409 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1213 -12.357 8.013 -24.671 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1213 -11.361 6.876 -24.997 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1214 -8.460 8.560 -17.908 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1214 -8.000 7.702 -17.795 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1214 -9.231 8.507 -17.289 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1215 -12.618 12.551 -13.272 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1215 -11.973 13.141 -12.852 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1215 -13.076 13.120 -13.930 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1216 -8.167 7.210 -12.468 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1216 -7.941 8.167 -12.418 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1216 -8.956 7.182 -13.052 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1217 -11.613 12.508 -9.283 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1217 -11.214 12.582 -10.177 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1217 -12.426 11.978 -9.428 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1218 -11.664 12.705 -16.732 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1218 -11.900 11.763 -16.621 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1218 -12.348 13.186 -16.226 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1219 -10.187 12.933 -11.640 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1219 -9.459 13.389 -11.181 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1219 -9.765 12.544 -12.435 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1220 -7.996 9.883 -12.100 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1220 -7.893 10.414 -11.283 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1220 -8.289 10.533 -12.775 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1221 -7.481 15.797 -17.737 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1221 -6.659 15.304 -17.769 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1221 -8.138 15.148 -17.391 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1222 -9.267 11.513 -13.885 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1222 -10.089 10.986 -13.957 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1222 -8.979 11.634 -14.817 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1223 -8.386 11.289 -16.567 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1223 -8.626 11.343 -17.522 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1223 -8.160 10.357 -16.439 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1224 -16.480 8.648 -13.702 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1224 -17.171 8.947 -14.322 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1224 -15.661 8.662 -14.237 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1225 -13.886 7.225 -13.065 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1225 -14.122 6.472 -12.491 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1225 -13.500 7.881 -12.449 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1226 -8.419 13.922 -9.651 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1226 -9.194 14.247 -9.128 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1226 -7.755 14.609 -9.534 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1227 -10.135 9.155 -10.488 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1227 -9.803 9.858 -9.902 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1227 -9.529 9.182 -11.254 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1228 -8.905 10.918 -19.209 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1228 -8.721 10.024 -18.853 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1228 -9.100 10.762 -20.156 1.00 0.00 WAT1 END