REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1848.49, 114.69, 174.361, 95.6982, 694.706, -681.756, -2253.91, 6.68189, 1.04089 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.858759E-03,0.509962,1.44404,42.5639,5.407626E-03,0.303896 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 51, 26 REMARK =============================================================== REMARK DATE:10-Jun-2009 12:13:35 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 19.534 -21.878 9.213 1.00 74.20 ATOM 2 CB MET 1 21.426 -21.231 9.995 1.00 71.42 ATOM 3 HB1 MET 1 22.329 -20.773 9.614 1.00 37.59 ATOM 4 HB2 MET 1 21.670 -22.211 10.380 1.00 55.41 ATOM 5 CG MET 1 20.913 -20.381 11.153 1.00 44.03 ATOM 6 HG1 MET 1 20.023 -20.844 11.556 1.00 37.59 ATOM 7 HG2 MET 1 20.667 -19.397 10.780 1.00 3.45 ATOM 8 SD MET 1 22.129 -20.211 12.475 1.00 20.50 ATOM 9 CE MET 1 21.246 -19.159 13.627 1.00 24.51 ATOM 10 HE1 MET 1 20.977 -18.234 13.137 1.00 33.01 ATOM 11 HE2 MET 1 21.878 -18.945 14.476 1.00 45.10 ATOM 12 HE3 MET 1 20.350 -19.660 13.962 1.00 21.21 ATOM 13 C MET 1 20.038 -20.008 8.284 1.00 73.31 ATOM 14 O MET 1 20.722 -19.466 7.417 1.00 41.51 ATOM 15 N MET 1 21.017 -22.258 7.786 1.00 41.31 ATOM 16 HT1 MET 1 20.318 -22.456 7.042 1.00 37.59 ATOM 17 HT2 MET 1 21.326 -23.162 8.198 1.00 37.59 ATOM 18 HT3 MET 1 21.842 -21.791 7.355 1.00 37.59 ATOM 19 CA MET 1 20.426 -21.391 8.840 1.00 20.01 ATOM 20 N GLY 2 18.916 -19.458 8.760 1.00 3.51 ATOM 21 HN GLY 2 18.318 -20.001 9.318 1.00 37.59 ATOM 22 CA GLY 2 18.561 -18.066 8.463 1.00 32.00 ATOM 23 HA1 GLY 2 19.474 -17.491 8.373 1.00 37.59 ATOM 24 HA2 GLY 2 18.000 -17.677 9.298 1.00 24.53 ATOM 25 C GLY 2 17.730 -17.864 7.190 1.00 64.22 ATOM 26 O GLY 2 16.859 -16.992 7.151 1.00 15.42 ATOM 27 N HIS 3 18.001 -18.648 6.147 1.00 11.41 ATOM 28 HN HIS 3 18.660 -19.363 6.255 1.00 37.59 ATOM 29 CA HIS 3 17.342 -18.467 4.839 1.00 72.41 ATOM 30 HA HIS 3 17.545 -17.456 4.513 1.00 44.45 ATOM 31 CB HIS 3 17.940 -19.437 3.811 1.00 22.42 ATOM 32 HB1 HIS 3 17.390 -19.355 2.884 1.00 37.59 ATOM 33 HB2 HIS 3 17.853 -20.447 4.186 1.00 72.01 ATOM 34 CG HIS 3 19.388 -19.177 3.515 1.00 52.42 ATOM 35 ND1 HIS 3 19.809 -18.378 2.477 1.00 41.12 ATOM 36 HD1 HIS 3 19.227 -17.912 1.840 1.00 33.10 ATOM 37 CD2 HIS 3 20.518 -19.613 4.127 1.00 41.13 ATOM 38 HD2 HIS 3 20.571 -20.265 4.986 1.00 12.52 ATOM 39 CE1 HIS 3 21.124 -18.332 2.463 1.00 35.52 ATOM 40 HE1 HIS 3 21.726 -17.781 1.759 1.00 31.22 ATOM 41 NE2 HIS 3 21.579 -19.069 3.451 1.00 22.21 ATOM 42 HE2 HIS 3 22.519 -19.335 3.562 1.00 37.59 ATOM 43 C HIS 3 15.811 -18.657 4.918 1.00 50.41 ATOM 44 O HIS 3 15.325 -19.759 5.167 1.00 53.22 ATOM 45 N HIS 4 15.055 -17.576 4.690 1.00 33.33 ATOM 46 HN HIS 4 15.498 -16.726 4.468 1.00 37.59 ATOM 47 CA HIS 4 13.582 -17.619 4.746 1.00 3.34 ATOM 48 HA HIS 4 13.279 -18.658 4.746 1.00 52.22 ATOM 49 CB HIS 4 13.069 -16.957 6.034 1.00 12.43 ATOM 50 HB1 HIS 4 11.989 -16.888 5.988 1.00 37.59 ATOM 51 HB2 HIS 4 13.481 -15.960 6.106 1.00 42.30 ATOM 52 CG HIS 4 13.430 -17.695 7.288 1.00 31.44 ATOM 53 ND1 HIS 4 14.327 -17.215 8.217 1.00 2.51 ATOM 54 HD1 HIS 4 14.821 -16.367 8.155 1.00 10.53 ATOM 55 CD2 HIS 4 12.996 -18.883 7.773 1.00 41.52 ATOM 56 HD2 HIS 4 12.282 -19.546 7.305 1.00 74.33 ATOM 57 CE1 HIS 4 14.431 -18.070 9.211 1.00 32.13 ATOM 58 HE1 HIS 4 15.062 -17.955 10.080 1.00 44.23 ATOM 59 NE2 HIS 4 13.635 -19.089 8.969 1.00 53.43 ATOM 60 HE2 HIS 4 13.640 -19.932 9.466 1.00 37.59 ATOM 61 C HIS 4 12.938 -16.920 3.537 1.00 74.31 ATOM 62 O HIS 4 13.135 -15.724 3.317 1.00 51.30 ATOM 63 N HIS 5 12.169 -17.676 2.755 1.00 74.23 ATOM 64 HN HIS 5 12.145 -18.646 2.908 1.00 37.59 ATOM 65 CA HIS 5 11.360 -17.114 1.664 1.00 62.14 ATOM 66 HA HIS 5 11.388 -16.034 1.744 1.00 20.53 ATOM 67 CB HIS 5 11.922 -17.535 0.298 1.00 70.33 ATOM 68 HB1 HIS 5 11.348 -17.059 -0.483 1.00 37.59 ATOM 69 HB2 HIS 5 11.835 -18.608 0.196 1.00 4.12 ATOM 70 CG HIS 5 13.360 -17.171 0.100 1.00 50.14 ATOM 71 ND1 HIS 5 13.772 -15.915 -0.283 1.00 30.30 ATOM 72 HD1 HIS 5 13.187 -15.143 -0.447 1.00 33.44 ATOM 73 CD2 HIS 5 14.489 -17.904 0.238 1.00 4.31 ATOM 74 HD2 HIS 5 14.548 -18.945 0.525 1.00 21.11 ATOM 75 CE1 HIS 5 15.084 -15.890 -0.374 1.00 12.31 ATOM 76 HE1 HIS 5 15.680 -15.037 -0.660 1.00 14.04 ATOM 77 NE2 HIS 5 15.545 -17.082 -0.062 1.00 51.14 ATOM 78 HE2 HIS 5 16.488 -17.286 0.114 1.00 37.59 ATOM 79 C HIS 5 9.905 -17.586 1.796 1.00 61.52 ATOM 80 O HIS 5 9.650 -18.785 1.903 1.00 44.34 ATOM 81 N HIS 6 8.954 -16.653 1.792 1.00 63.54 ATOM 82 HN HIS 6 9.201 -15.714 1.636 1.00 37.59 ATOM 83 CA HIS 6 7.542 -17.001 2.005 1.00 63.02 ATOM 84 HA HIS 6 7.458 -18.081 1.977 1.00 65.43 ATOM 85 CB HIS 6 7.086 -16.511 3.389 1.00 0.52 ATOM 86 HB1 HIS 6 7.086 -15.429 3.399 1.00 37.59 ATOM 87 HB2 HIS 6 7.776 -16.871 4.139 1.00 51.04 ATOM 88 CG HIS 6 5.711 -16.975 3.772 1.00 32.10 ATOM 89 ND1 HIS 6 4.568 -16.264 3.478 1.00 3.02 ATOM 90 HD1 HIS 6 4.532 -15.400 3.009 1.00 44.42 ATOM 91 CD2 HIS 6 5.298 -18.087 4.429 1.00 11.40 ATOM 92 HD2 HIS 6 5.928 -18.877 4.817 1.00 12.05 ATOM 93 CE1 HIS 6 3.516 -16.912 3.934 1.00 63.42 ATOM 94 HE1 HIS 6 2.489 -16.589 3.850 1.00 34.54 ATOM 95 NE2 HIS 6 3.930 -18.019 4.513 1.00 13.54 ATOM 96 HE2 HIS 6 3.341 -18.721 4.875 1.00 37.59 ATOM 97 C HIS 6 6.639 -16.416 0.903 1.00 51.32 ATOM 98 O HIS 6 6.291 -15.236 0.928 1.00 32.13 ATOM 99 N HIS 7 6.279 -17.251 -0.071 1.00 60.01 ATOM 100 HN HIS 7 6.617 -18.174 -0.046 1.00 37.59 ATOM 101 CA HIS 7 5.396 -16.847 -1.181 1.00 5.35 ATOM 102 HA HIS 7 4.775 -16.030 -0.837 1.00 44.44 ATOM 103 CB HIS 7 6.221 -16.375 -2.392 1.00 13.31 ATOM 104 HB1 HIS 7 5.563 -16.244 -3.239 1.00 37.59 ATOM 105 HB2 HIS 7 6.957 -17.128 -2.633 1.00 74.03 ATOM 106 CG HIS 7 6.946 -15.081 -2.174 1.00 43.34 ATOM 107 ND1 HIS 7 6.384 -13.852 -2.441 1.00 13.25 ATOM 108 HD1 HIS 7 5.479 -13.698 -2.786 1.00 1.43 ATOM 109 CD2 HIS 7 8.194 -14.826 -1.713 1.00 2.21 ATOM 110 HD2 HIS 7 8.926 -15.558 -1.400 1.00 70.22 ATOM 111 CE1 HIS 7 7.248 -12.902 -2.155 1.00 5.22 ATOM 112 HE1 HIS 7 7.080 -11.841 -2.265 1.00 21.50 ATOM 113 NE2 HIS 7 8.351 -13.465 -1.712 1.00 62.12 ATOM 114 HE2 HIS 7 9.181 -12.986 -1.500 1.00 37.59 ATOM 115 C HIS 7 4.490 -18.008 -1.613 1.00 62.45 ATOM 116 O HIS 7 4.962 -19.133 -1.792 1.00 1.32 ATOM 117 N HIS 8 3.194 -17.738 -1.784 1.00 32.24 ATOM 118 HN HIS 8 2.861 -16.834 -1.595 1.00 37.59 ATOM 119 CA HIS 8 2.261 -18.765 -2.263 1.00 31.42 ATOM 120 HA HIS 8 2.430 -19.663 -1.681 1.00 71.10 ATOM 121 CB HIS 8 0.806 -18.318 -2.077 1.00 73.51 ATOM 122 HB1 HIS 8 0.149 -19.113 -2.404 1.00 37.59 ATOM 123 HB2 HIS 8 0.626 -17.442 -2.683 1.00 64.23 ATOM 124 CG HIS 8 0.446 -17.976 -0.662 1.00 71.21 ATOM 125 ND1 HIS 8 0.609 -18.850 0.391 1.00 72.30 ATOM 126 HD1 HIS 8 0.959 -19.764 0.329 1.00 45.05 ATOM 127 CD2 HIS 8 -0.070 -16.844 -0.125 1.00 53.22 ATOM 128 HD2 HIS 8 -0.328 -15.941 -0.660 1.00 11.11 ATOM 129 CE1 HIS 8 0.210 -18.273 1.506 1.00 72.22 ATOM 130 HE1 HIS 8 0.223 -18.723 2.487 1.00 0.23 ATOM 131 NE2 HIS 8 -0.208 -17.057 1.223 1.00 51.55 ATOM 132 HE2 HIS 8 -0.739 -16.496 1.828 1.00 37.59 ATOM 133 C HIS 8 2.532 -19.080 -3.744 1.00 21.10 ATOM 134 O HIS 8 1.998 -18.424 -4.642 1.00 31.33 ATOM 135 N SER 9 3.384 -20.070 -3.988 1.00 63.12 ATOM 136 HN SER 9 3.719 -20.604 -3.233 1.00 37.59 ATOM 137 CA SER 9 3.842 -20.392 -5.347 1.00 30.44 ATOM 138 HA SER 9 4.024 -19.459 -5.861 1.00 3.23 ATOM 139 CB SER 9 5.157 -21.180 -5.285 1.00 42.43 ATOM 140 HB1 SER 9 5.496 -21.396 -6.289 1.00 37.59 ATOM 141 HB2 SER 9 4.994 -22.106 -4.754 1.00 2.13 ATOM 142 OG SER 9 6.167 -20.441 -4.610 1.00 51.04 ATOM 143 HG SER 9 6.031 -20.511 -3.658 1.00 71.11 ATOM 144 C SER 9 2.799 -21.192 -6.138 1.00 42.30 ATOM 145 O SER 9 2.357 -22.255 -5.706 1.00 61.02 ATOM 146 N HIS 10 2.408 -20.671 -7.301 1.00 73.13 ATOM 147 HN HIS 10 2.747 -19.786 -7.561 1.00 37.59 ATOM 148 CA HIS 10 1.485 -21.372 -8.201 1.00 2.21 ATOM 149 HA HIS 10 1.017 -22.171 -7.640 1.00 41.21 ATOM 150 CB HIS 10 0.395 -20.417 -8.705 1.00 4.43 ATOM 151 HB1 HIS 10 -0.175 -20.907 -9.481 1.00 37.59 ATOM 152 HB2 HIS 10 0.862 -19.533 -9.114 1.00 74.23 ATOM 153 CG HIS 10 -0.562 -19.978 -7.637 1.00 4.10 ATOM 154 ND1 HIS 10 -1.856 -20.450 -7.546 1.00 25.11 ATOM 155 HD1 HIS 10 -2.273 -21.098 -8.152 1.00 73.53 ATOM 156 CD2 HIS 10 -0.414 -19.104 -6.615 1.00 24.21 ATOM 157 HD2 HIS 10 0.475 -18.535 -6.379 1.00 74.25 ATOM 158 CE1 HIS 10 -2.457 -19.886 -6.518 1.00 54.11 ATOM 159 HE1 HIS 10 -3.477 -20.064 -6.207 1.00 75.45 ATOM 160 NE2 HIS 10 -1.605 -19.069 -5.936 1.00 3.44 ATOM 161 HE2 HIS 10 -1.752 -18.627 -5.070 1.00 37.59 ATOM 162 C HIS 10 2.241 -21.988 -9.388 1.00 50.53 ATOM 163 O HIS 10 2.657 -21.284 -10.308 1.00 54.23 ATOM 164 N MET 11 2.432 -23.305 -9.344 1.00 31.34 ATOM 165 HN MET 11 2.074 -23.807 -8.580 1.00 37.59 ATOM 166 CA MET 11 3.153 -24.036 -10.397 1.00 20.54 ATOM 167 HA MET 11 3.138 -23.442 -11.300 1.00 61.33 ATOM 168 CB MET 11 4.613 -24.280 -9.969 1.00 42.32 ATOM 169 HB1 MET 11 5.111 -24.848 -10.744 1.00 37.59 ATOM 170 HB2 MET 11 4.614 -24.863 -9.059 1.00 43.02 ATOM 171 CG MET 11 5.423 -23.015 -9.717 1.00 41.40 ATOM 172 HG1 MET 11 4.903 -22.407 -8.991 1.00 37.59 ATOM 173 HG2 MET 11 5.513 -22.468 -10.644 1.00 44.22 ATOM 174 SD MET 11 7.082 -23.368 -9.093 1.00 23.10 ATOM 175 CE MET 11 7.762 -24.349 -10.433 1.00 31.52 ATOM 176 HE1 MET 11 8.784 -24.612 -10.204 1.00 72.42 ATOM 177 HE2 MET 11 7.734 -23.776 -11.348 1.00 22.25 ATOM 178 HE3 MET 11 7.177 -25.250 -10.554 1.00 75.51 ATOM 179 C MET 11 2.483 -25.392 -10.673 1.00 64.31 ATOM 180 O MET 11 1.713 -25.884 -9.849 1.00 53.13 ATOM 181 N PRO 12 2.739 -26.010 -11.842 1.00 4.23 ATOM 182 CA PRO 12 2.373 -27.415 -12.075 1.00 34.44 ATOM 183 HA PRO 12 1.323 -27.587 -11.877 1.00 13.43 ATOM 184 CB PRO 12 2.670 -27.632 -13.574 1.00 32.14 ATOM 185 HB1 PRO 12 1.845 -28.155 -14.035 1.00 37.59 ATOM 186 HB2 PRO 12 3.574 -28.216 -13.687 1.00 43.02 ATOM 187 CG PRO 12 2.834 -26.260 -14.150 1.00 4.11 ATOM 188 HG1 PRO 12 1.878 -25.888 -14.494 1.00 37.59 ATOM 189 HG2 PRO 12 3.542 -26.285 -14.967 1.00 2.22 ATOM 190 CD PRO 12 3.356 -25.400 -13.031 1.00 75.35 ATOM 191 HD1 PRO 12 3.033 -24.376 -13.154 1.00 37.59 ATOM 192 HD2 PRO 12 4.435 -25.455 -12.981 1.00 33.15 ATOM 193 C PRO 12 3.220 -28.350 -11.192 1.00 74.04 ATOM 194 O PRO 12 4.115 -29.049 -11.674 1.00 1.34 ATOM 195 N ASP 13 2.943 -28.320 -9.887 1.00 40.13 ATOM 196 HN ASP 13 2.163 -27.806 -9.589 1.00 37.59 ATOM 197 CA ASP 13 3.755 -29.015 -8.877 1.00 41.44 ATOM 198 HA ASP 13 4.793 -28.900 -9.164 1.00 35.15 ATOM 199 CB ASP 13 3.561 -28.342 -7.509 1.00 42.52 ATOM 200 HB1 ASP 13 4.188 -27.462 -7.458 1.00 37.59 ATOM 201 HB2 ASP 13 3.855 -29.029 -6.728 1.00 61.41 ATOM 202 CG ASP 13 2.118 -27.923 -7.259 1.00 41.25 ATOM 203 OD1 ASP 13 1.211 -28.775 -7.378 1.00 75.41 ATOM 204 OD2 ASP 13 1.878 -26.737 -6.949 1.00 31.13 ATOM 205 C ASP 13 3.450 -30.522 -8.783 1.00 52.30 ATOM 206 O ASP 13 4.350 -31.325 -8.531 1.00 52.20 ATOM 207 N HIS 14 2.186 -30.895 -8.965 1.00 54.44 ATOM 208 HN HIS 14 1.508 -30.206 -9.114 1.00 37.59 ATOM 209 CA HIS 14 1.783 -32.309 -8.940 1.00 20.20 ATOM 210 HA HIS 14 2.116 -32.723 -7.997 1.00 0.40 ATOM 211 CB HIS 14 0.253 -32.431 -9.015 1.00 42.31 ATOM 212 HB1 HIS 14 -0.006 -33.413 -9.386 1.00 37.59 ATOM 213 HB2 HIS 14 -0.129 -31.686 -9.698 1.00 55.54 ATOM 214 CG HIS 14 -0.438 -32.243 -7.697 1.00 71.34 ATOM 215 ND1 HIS 14 -0.896 -33.298 -6.935 1.00 23.02 ATOM 216 HD1 HIS 14 -0.815 -34.250 -7.166 1.00 73.14 ATOM 217 CD2 HIS 14 -0.760 -31.124 -7.006 1.00 10.53 ATOM 218 HD2 HIS 14 -0.552 -30.105 -7.302 1.00 45.32 ATOM 219 CE1 HIS 14 -1.467 -32.840 -5.842 1.00 2.01 ATOM 220 HE1 HIS 14 -1.911 -33.441 -5.063 1.00 21.40 ATOM 221 NE2 HIS 14 -1.400 -31.526 -5.858 1.00 1.51 ATOM 222 HE2 HIS 14 -1.615 -30.945 -5.097 1.00 37.59 ATOM 223 C HIS 14 2.439 -33.116 -10.077 1.00 51.34 ATOM 224 O HIS 14 2.954 -32.555 -11.047 1.00 2.23 ATOM 225 N GLY 15 2.396 -34.444 -9.959 1.00 14.45 ATOM 226 HN GLY 15 1.890 -34.843 -9.218 1.00 37.59 ATOM 227 CA GLY 15 3.072 -35.312 -10.921 1.00 24.41 ATOM 228 HA1 GLY 15 3.225 -36.278 -10.460 1.00 37.59 ATOM 229 HA2 GLY 15 4.038 -34.887 -11.156 1.00 24.51 ATOM 230 C GLY 15 2.299 -35.508 -12.222 1.00 62.24 ATOM 231 O GLY 15 2.264 -36.610 -12.766 1.00 2.41 ATOM 232 N ASP 16 1.698 -34.437 -12.738 1.00 64.45 ATOM 233 HN ASP 16 1.770 -33.577 -12.266 1.00 37.59 ATOM 234 CA ASP 16 0.928 -34.496 -13.987 1.00 65.10 ATOM 235 HA ASP 16 0.166 -35.256 -13.871 1.00 22.54 ATOM 236 CB ASP 16 0.248 -33.148 -14.241 1.00 51.43 ATOM 237 HB1 ASP 16 -0.350 -33.214 -15.141 1.00 37.59 ATOM 238 HB2 ASP 16 1.006 -32.389 -14.375 1.00 74.45 ATOM 239 CG ASP 16 -0.652 -32.733 -13.091 1.00 74.45 ATOM 240 OD1 ASP 16 -0.164 -32.070 -12.157 1.00 14.43 ATOM 241 OD2 ASP 16 -1.855 -33.064 -13.117 1.00 32.15 ATOM 242 C ASP 16 1.816 -34.865 -15.191 1.00 24.25 ATOM 243 O ASP 16 1.316 -35.259 -16.247 1.00 42.55 ATOM 244 N TRP 17 3.129 -34.731 -15.020 1.00 71.14 ATOM 245 HN TRP 17 3.462 -34.412 -14.154 1.00 37.59 ATOM 246 CA TRP 17 4.097 -35.030 -16.082 1.00 72.15 ATOM 247 HA TRP 17 3.651 -34.755 -17.029 1.00 10.03 ATOM 248 CB TRP 17 5.364 -34.188 -15.863 1.00 12.42 ATOM 249 HB1 TRP 17 5.979 -34.229 -16.750 1.00 37.59 ATOM 250 HB2 TRP 17 5.917 -34.589 -15.026 1.00 31.33 ATOM 251 CG TRP 17 5.066 -32.744 -15.572 1.00 5.11 ATOM 252 CD1 TRP 17 5.076 -32.135 -14.347 1.00 41.32 ATOM 253 HD1 TRP 17 5.317 -32.635 -13.421 1.00 44.41 ATOM 254 CD2 TRP 17 4.694 -31.737 -16.517 1.00 74.42 ATOM 255 NE1 TRP 17 4.741 -30.812 -14.477 1.00 14.31 ATOM 256 HE1 TRP 17 4.683 -30.165 -13.741 1.00 53.31 ATOM 257 CE2 TRP 17 4.501 -30.541 -15.798 1.00 23.11 ATOM 258 CE3 TRP 17 4.507 -31.727 -17.902 1.00 54.43 ATOM 259 HE3 TRP 17 4.648 -32.623 -18.491 1.00 42.44 ATOM 260 CZ2 TRP 17 4.131 -29.352 -16.416 1.00 30.04 ATOM 261 HZ2 TRP 17 3.986 -28.441 -15.855 1.00 42.33 ATOM 262 CZ3 TRP 17 4.139 -30.544 -18.516 1.00 72.14 ATOM 263 HZ3 TRP 17 3.990 -30.518 -19.586 1.00 70.00 ATOM 264 CH2 TRP 17 3.954 -29.370 -17.772 1.00 12.42 ATOM 265 HH2 TRP 17 3.666 -28.469 -18.293 1.00 72.13 ATOM 266 C TRP 17 4.448 -36.533 -16.118 1.00 50.01 ATOM 267 O TRP 17 5.216 -36.986 -16.969 1.00 20.11 ATOM 268 N THR 18 3.873 -37.293 -15.188 1.00 61.05 ATOM 269 HN THR 18 3.267 -36.868 -14.543 1.00 37.59 ATOM 270 CA THR 18 4.103 -38.743 -15.084 1.00 75.33 ATOM 271 HA THR 18 4.072 -39.164 -16.081 1.00 21.41 ATOM 272 CB THR 18 5.497 -39.045 -14.457 1.00 75.45 ATOM 273 HB THR 18 6.255 -38.584 -15.077 1.00 1.12 ATOM 274 OG1 THR 18 5.741 -40.461 -14.412 1.00 42.23 ATOM 275 HG1 THR 18 6.693 -40.621 -14.406 1.00 64.23 ATOM 276 CG2 THR 18 5.610 -38.461 -13.049 1.00 55.51 ATOM 277 HG21 THR 18 6.602 -38.643 -12.662 1.00 14.12 ATOM 278 HG22 THR 18 4.881 -38.930 -12.404 1.00 51.22 ATOM 279 HG23 THR 18 5.427 -37.396 -13.083 1.00 62.11 ATOM 280 C THR 18 2.989 -39.384 -14.238 1.00 34.21 ATOM 281 O THR 18 1.892 -38.834 -14.147 1.00 42.33 ATOM 282 N TYR 19 3.237 -40.550 -13.648 1.00 10.52 ATOM 283 HN TYR 19 4.069 -41.024 -13.852 1.00 37.59 ATOM 284 CA TYR 19 2.287 -41.138 -12.694 1.00 63.23 ATOM 285 HA TYR 19 1.289 -40.968 -13.078 1.00 1.53 ATOM 286 CB TYR 19 2.510 -42.654 -12.547 1.00 70.20 ATOM 287 HB1 TYR 19 2.150 -42.974 -11.578 1.00 37.59 ATOM 288 HB2 TYR 19 3.568 -42.862 -12.612 1.00 30.33 ATOM 289 CG TYR 19 1.806 -43.491 -13.598 1.00 21.32 ATOM 290 CD1 TYR 19 2.519 -44.292 -14.482 1.00 33.55 ATOM 291 HD1 TYR 19 3.598 -44.312 -14.422 1.00 33.22 ATOM 292 CD2 TYR 19 0.417 -43.481 -13.696 1.00 62.42 ATOM 293 HD2 TYR 19 -0.154 -42.866 -13.017 1.00 2.03 ATOM 294 CE1 TYR 19 1.870 -45.053 -15.433 1.00 53.14 ATOM 295 HE1 TYR 19 2.442 -45.670 -16.111 1.00 12.03 ATOM 296 CE2 TYR 19 -0.236 -44.241 -14.645 1.00 3.32 ATOM 297 HE2 TYR 19 -1.315 -44.220 -14.705 1.00 5.50 ATOM 298 CZ TYR 19 0.494 -45.025 -15.509 1.00 24.05 ATOM 299 OH TYR 19 -0.154 -45.779 -16.459 1.00 74.30 ATOM 300 HH TYR 19 0.226 -46.665 -16.479 1.00 63.53 ATOM 301 C TYR 19 2.398 -40.476 -11.313 1.00 43.35 ATOM 302 O TYR 19 3.493 -40.299 -10.787 1.00 54.24 ATOM 303 N GLU 20 1.260 -40.088 -10.743 1.00 62.42 ATOM 304 HN GLU 20 0.443 -40.053 -11.281 1.00 37.59 ATOM 305 CA GLU 20 1.208 -39.676 -9.335 1.00 62.31 ATOM 306 HA GLU 20 2.211 -39.406 -9.027 1.00 62.02 ATOM 307 CB GLU 20 0.286 -38.457 -9.172 1.00 64.11 ATOM 308 HB1 GLU 20 -0.741 -38.780 -9.282 1.00 37.59 ATOM 309 HB2 GLU 20 0.513 -37.746 -9.955 1.00 32.24 ATOM 310 CG GLU 20 0.425 -37.745 -7.828 1.00 23.21 ATOM 311 HG1 GLU 20 1.474 -37.559 -7.637 1.00 37.59 ATOM 312 HG2 GLU 20 0.031 -38.388 -7.053 1.00 5.43 ATOM 313 CD GLU 20 -0.318 -36.420 -7.789 1.00 64.44 ATOM 314 OE1 GLU 20 -0.037 -35.549 -8.640 1.00 63.33 ATOM 315 OE2 GLU 20 -1.183 -36.228 -6.911 1.00 10.22 ATOM 316 C GLU 20 0.726 -40.856 -8.470 1.00 63.33 ATOM 317 O GLU 20 0.784 -40.819 -7.242 1.00 54.44 ATOM 318 N GLU 21 0.249 -41.903 -9.149 1.00 74.20 ATOM 319 HN GLU 21 0.153 -41.819 -10.116 1.00 37.59 ATOM 320 CA GLU 21 -0.138 -43.175 -8.514 1.00 53.43 ATOM 321 HA GLU 21 -0.913 -42.978 -7.788 1.00 14.44 ATOM 322 CB GLU 21 -0.680 -44.123 -9.605 1.00 3.10 ATOM 323 HB1 GLU 21 0.142 -44.414 -10.244 1.00 37.59 ATOM 324 HB2 GLU 21 -1.401 -43.582 -10.202 1.00 13.33 ATOM 325 CG GLU 21 -1.357 -45.396 -9.093 1.00 71.43 ATOM 326 HG1 GLU 21 -0.798 -45.767 -8.244 1.00 37.59 ATOM 327 HG2 GLU 21 -1.341 -46.137 -9.879 1.00 61.12 ATOM 328 CD GLU 21 -2.804 -45.176 -8.672 1.00 23.23 ATOM 329 OE1 GLU 21 -3.113 -45.303 -7.470 1.00 11.02 ATOM 330 OE2 GLU 21 -3.641 -44.877 -9.553 1.00 3.14 ATOM 331 C GLU 21 1.076 -43.826 -7.815 1.00 73.54 ATOM 332 O GLU 21 2.217 -43.446 -8.071 1.00 22.52 ATOM 333 N GLN 22 0.837 -44.803 -6.938 1.00 20.25 ATOM 334 HN GLN 22 -0.092 -45.024 -6.707 1.00 37.59 ATOM 335 CA GLN 22 1.935 -45.543 -6.293 1.00 43.24 ATOM 336 HA GLN 22 2.501 -44.836 -5.701 1.00 72.21 ATOM 337 CB GLN 22 1.357 -46.625 -5.357 1.00 51.50 ATOM 338 HB1 GLN 22 0.911 -47.404 -5.960 1.00 37.59 ATOM 339 HB2 GLN 22 0.584 -46.173 -4.752 1.00 25.03 ATOM 340 CG GLN 22 2.379 -47.274 -4.414 1.00 65.34 ATOM 341 HG1 GLN 22 1.875 -47.548 -3.497 1.00 37.59 ATOM 342 HG2 GLN 22 3.149 -46.550 -4.189 1.00 45.14 ATOM 343 CD GLN 22 3.043 -48.520 -4.987 1.00 23.31 ATOM 344 OE1 GLN 22 2.448 -49.256 -5.767 1.00 21.03 ATOM 345 NE2 GLN 22 4.275 -48.776 -4.593 1.00 14.11 ATOM 346 HE21 GLN 22 4.697 -48.161 -3.962 1.00 40.12 ATOM 347 HE22 GLN 22 4.715 -49.578 -4.948 1.00 73.14 ATOM 348 C GLN 22 2.875 -46.155 -7.359 1.00 62.11 ATOM 349 O GLN 22 2.584 -47.200 -7.947 1.00 72.33 ATOM 350 N PHE 23 3.992 -45.472 -7.625 1.00 64.31 ATOM 351 HN PHE 23 4.214 -44.698 -7.071 1.00 37.59 ATOM 352 CA PHE 23 4.885 -45.840 -8.738 1.00 21.52 ATOM 353 HA PHE 23 4.357 -46.566 -9.343 1.00 0.34 ATOM 354 CB PHE 23 5.170 -44.607 -9.618 1.00 43.51 ATOM 355 HB1 PHE 23 4.288 -44.390 -10.209 1.00 37.59 ATOM 356 HB2 PHE 23 5.988 -44.833 -10.287 1.00 34.31 ATOM 357 CG PHE 23 5.537 -43.352 -8.852 1.00 43.04 ATOM 358 CD1 PHE 23 6.683 -43.295 -8.071 1.00 74.31 ATOM 359 HD1 PHE 23 7.323 -44.164 -8.001 1.00 31.15 ATOM 360 CD2 PHE 23 4.734 -42.223 -8.925 1.00 51.23 ATOM 361 HD2 PHE 23 3.838 -42.248 -9.529 1.00 64.15 ATOM 362 CE1 PHE 23 7.015 -42.142 -7.383 1.00 62.43 ATOM 363 HE1 PHE 23 7.910 -42.112 -6.781 1.00 44.53 ATOM 364 CE2 PHE 23 5.062 -41.070 -8.239 1.00 55.24 ATOM 365 HE2 PHE 23 4.425 -40.202 -8.304 1.00 20.12 ATOM 366 CZ PHE 23 6.203 -41.030 -7.468 1.00 13.31 ATOM 367 HZ PHE 23 6.463 -40.129 -6.931 1.00 62.14 ATOM 368 C PHE 23 6.211 -46.483 -8.285 1.00 32.13 ATOM 369 O PHE 23 6.586 -46.441 -7.110 1.00 21.22 ATOM 370 N LYS 24 6.922 -47.049 -9.263 1.00 14.25 ATOM 371 HN LYS 24 6.571 -46.997 -10.179 1.00 37.59 ATOM 372 CA LYS 24 8.191 -47.765 -9.042 1.00 13.13 ATOM 373 HA LYS 24 7.997 -48.578 -8.358 1.00 70.20 ATOM 374 CB LYS 24 8.670 -48.350 -10.379 1.00 12.32 ATOM 375 HB1 LYS 24 8.808 -47.538 -11.081 1.00 37.59 ATOM 376 HB2 LYS 24 7.903 -49.009 -10.761 1.00 23.11 ATOM 377 CG LYS 24 9.978 -49.138 -10.298 1.00 4.11 ATOM 378 HG1 LYS 24 10.737 -48.515 -9.842 1.00 37.59 ATOM 379 HG2 LYS 24 10.288 -49.404 -11.299 1.00 62.44 ATOM 380 CD LYS 24 9.826 -50.414 -9.476 1.00 73.01 ATOM 381 HD1 LYS 24 9.022 -51.005 -9.893 1.00 37.59 ATOM 382 HD2 LYS 24 9.586 -50.148 -8.456 1.00 63.22 ATOM 383 CE LYS 24 11.104 -51.247 -9.479 1.00 3.41 ATOM 384 HE1 LYS 24 11.875 -50.708 -8.948 1.00 37.59 ATOM 385 HE2 LYS 24 11.417 -51.404 -10.503 1.00 73.43 ATOM 386 NZ LYS 24 10.903 -52.568 -8.829 1.00 12.15 ATOM 387 HZ1 LYS 24 10.116 -53.075 -9.286 1.00 24.41 ATOM 388 HZ2 LYS 24 10.681 -52.446 -7.823 1.00 23.13 ATOM 389 HZ3 LYS 24 11.764 -53.145 -8.915 1.00 5.10 ATOM 390 C LYS 24 9.299 -46.869 -8.448 1.00 3.13 ATOM 391 O LYS 24 10.156 -47.347 -7.700 1.00 71.12 ATOM 392 N GLN 25 9.282 -45.576 -8.777 1.00 52.01 ATOM 393 HN GLN 25 8.540 -45.232 -9.316 1.00 37.59 ATOM 394 CA GLN 25 10.356 -44.654 -8.366 1.00 5.10 ATOM 395 HA GLN 25 11.255 -44.970 -8.878 1.00 73.41 ATOM 396 CB GLN 25 10.032 -43.216 -8.805 1.00 44.32 ATOM 397 HB1 GLN 25 9.117 -42.905 -8.323 1.00 37.59 ATOM 398 HB2 GLN 25 9.880 -43.207 -9.875 1.00 1.05 ATOM 399 CG GLN 25 11.117 -42.191 -8.472 1.00 54.33 ATOM 400 HG1 GLN 25 11.227 -42.140 -7.398 1.00 37.59 ATOM 401 HG2 GLN 25 10.805 -41.225 -8.844 1.00 64.01 ATOM 402 CD GLN 25 12.468 -42.531 -9.085 1.00 34.45 ATOM 403 OE1 GLN 25 12.763 -42.162 -10.217 1.00 62.12 ATOM 404 NE2 GLN 25 13.307 -43.226 -8.341 1.00 70.20 ATOM 405 HE21 GLN 25 13.022 -43.489 -7.443 1.00 43.41 ATOM 406 HE22 GLN 25 14.185 -43.440 -8.719 1.00 23.01 ATOM 407 C GLN 25 10.631 -44.708 -6.849 1.00 52.24 ATOM 408 O GLN 25 11.780 -44.589 -6.425 1.00 32.12 ATOM 409 N LEU 26 9.585 -44.911 -6.037 1.00 51.54 ATOM 410 HN LEU 26 8.686 -44.979 -6.424 1.00 37.59 ATOM 411 CA LEU 26 9.755 -45.038 -4.577 1.00 25.42 ATOM 412 HA LEU 26 10.110 -44.086 -4.209 1.00 33.30 ATOM 413 CB LEU 26 8.422 -45.369 -3.888 1.00 25.32 ATOM 414 HB1 LEU 26 8.638 -45.767 -2.905 1.00 37.59 ATOM 415 HB2 LEU 26 7.928 -46.139 -4.465 1.00 32.30 ATOM 416 CG LEU 26 7.445 -44.196 -3.722 1.00 23.11 ATOM 417 HG LEU 26 7.140 -43.847 -4.699 1.00 30.11 ATOM 418 CD1 LEU 26 6.193 -44.648 -2.972 1.00 40.14 ATOM 419 HD11 LEU 26 6.467 -45.001 -1.988 1.00 53.34 ATOM 420 HD12 LEU 26 5.712 -45.446 -3.519 1.00 54.34 ATOM 421 HD13 LEU 26 5.510 -43.816 -2.878 1.00 43.34 ATOM 422 CD2 LEU 26 8.118 -43.032 -2.993 1.00 70.22 ATOM 423 HD21 LEU 26 8.451 -43.357 -2.018 1.00 51.13 ATOM 424 HD22 LEU 26 7.413 -42.221 -2.880 1.00 11.33 ATOM 425 HD23 LEU 26 8.968 -42.690 -3.568 1.00 60.02 ATOM 426 C LEU 26 10.789 -46.115 -4.216 1.00 12.31 ATOM 427 O LEU 26 11.534 -45.980 -3.242 1.00 31.14 ATOM 428 N TYR 27 10.820 -47.175 -5.008 1.00 33.32 ATOM 429 HN TYR 27 10.185 -47.226 -5.753 1.00 37.59 ATOM 430 CA TYR 27 11.769 -48.271 -4.817 1.00 71.40 ATOM 431 HA TYR 27 11.838 -48.479 -3.758 1.00 75.34 ATOM 432 CB TYR 27 11.262 -49.524 -5.547 1.00 41.12 ATOM 433 HB1 TYR 27 11.934 -50.346 -5.342 1.00 37.59 ATOM 434 HB2 TYR 27 11.253 -49.331 -6.610 1.00 5.00 ATOM 435 CG TYR 27 9.857 -49.953 -5.145 1.00 23.03 ATOM 436 CD1 TYR 27 9.647 -51.066 -4.340 1.00 21.02 ATOM 437 HD1 TYR 27 10.499 -51.632 -3.997 1.00 14.20 ATOM 438 CD2 TYR 27 8.739 -49.241 -5.576 1.00 24.41 ATOM 439 HD2 TYR 27 8.879 -48.371 -6.202 1.00 34.41 ATOM 440 CE1 TYR 27 8.371 -51.458 -3.979 1.00 61.25 ATOM 441 HE1 TYR 27 8.231 -52.327 -3.351 1.00 72.14 ATOM 442 CE2 TYR 27 7.462 -49.626 -5.218 1.00 42.15 ATOM 443 HE2 TYR 27 6.610 -49.059 -5.566 1.00 64.31 ATOM 444 CZ TYR 27 7.282 -50.735 -4.421 1.00 70.11 ATOM 445 OH TYR 27 6.008 -51.124 -4.063 1.00 50.30 ATOM 446 HH TYR 27 6.020 -51.467 -3.159 1.00 71.20 ATOM 447 C TYR 27 13.158 -47.878 -5.346 1.00 2.21 ATOM 448 O TYR 27 14.183 -48.123 -4.700 1.00 75.35 ATOM 449 N GLU 28 13.170 -47.238 -6.517 1.00 34.11 ATOM 450 HN GLU 28 12.312 -47.025 -6.945 1.00 37.59 ATOM 451 CA GLU 28 14.416 -46.851 -7.196 1.00 21.14 ATOM 452 HA GLU 28 15.082 -47.702 -7.169 1.00 20.13 ATOM 453 CB GLU 28 14.131 -46.499 -8.664 1.00 53.40 ATOM 454 HB1 GLU 28 15.056 -46.191 -9.133 1.00 37.59 ATOM 455 HB2 GLU 28 13.435 -45.672 -8.693 1.00 3.34 ATOM 456 CG GLU 28 13.543 -47.646 -9.479 1.00 70.21 ATOM 457 HG1 GLU 28 12.567 -47.893 -9.081 1.00 37.59 ATOM 458 HG2 GLU 28 14.192 -48.506 -9.391 1.00 55.04 ATOM 459 CD GLU 28 13.397 -47.293 -10.951 1.00 3.12 ATOM 460 OE1 GLU 28 12.282 -46.921 -11.378 1.00 3.12 ATOM 461 OE2 GLU 28 14.403 -47.377 -11.688 1.00 52.22 ATOM 462 C GLU 28 15.122 -45.660 -6.522 1.00 63.13 ATOM 463 O GLU 28 16.248 -45.321 -6.889 1.00 51.01 ATOM 464 N LEU 29 14.461 -45.016 -5.560 1.00 61.44 ATOM 465 HN LEU 29 13.557 -45.314 -5.323 1.00 37.59 ATOM 466 CA LEU 29 15.047 -43.863 -4.853 1.00 15.22 ATOM 467 HA LEU 29 15.142 -43.062 -5.574 1.00 50.51 ATOM 468 CB LEU 29 14.105 -43.400 -3.730 1.00 2.41 ATOM 469 HB1 LEU 29 14.638 -42.699 -3.103 1.00 37.59 ATOM 470 HB2 LEU 29 13.842 -44.263 -3.134 1.00 73.52 ATOM 471 CG LEU 29 12.803 -42.725 -4.212 1.00 24.20 ATOM 472 HG LEU 29 12.351 -43.340 -4.974 1.00 34.13 ATOM 473 CD1 LEU 29 11.796 -42.581 -3.075 1.00 32.02 ATOM 474 HD11 LEU 29 10.917 -42.066 -3.434 1.00 60.31 ATOM 475 HD12 LEU 29 12.237 -42.018 -2.266 1.00 44.42 ATOM 476 HD13 LEU 29 11.514 -43.561 -2.718 1.00 13.32 ATOM 477 CD2 LEU 29 13.097 -41.362 -4.828 1.00 10.14 ATOM 478 HD21 LEU 29 13.833 -41.469 -5.611 1.00 25.24 ATOM 479 HD22 LEU 29 13.472 -40.692 -4.065 1.00 35.31 ATOM 480 HD23 LEU 29 12.186 -40.957 -5.244 1.00 32.10 ATOM 481 C LEU 29 16.453 -44.182 -4.306 1.00 34.33 ATOM 482 O LEU 29 17.387 -43.399 -4.491 1.00 73.31 ATOM 483 N ASP 30 16.603 -45.333 -3.644 1.00 31.53 ATOM 484 HN ASP 30 15.810 -45.856 -3.414 1.00 37.59 ATOM 485 CA ASP 30 17.933 -45.824 -3.240 1.00 34.42 ATOM 486 HA ASP 30 18.652 -45.038 -3.419 1.00 13.44 ATOM 487 CB ASP 30 17.968 -46.199 -1.750 1.00 11.31 ATOM 488 HB1 ASP 30 18.905 -46.698 -1.537 1.00 37.59 ATOM 489 HB2 ASP 30 17.157 -46.883 -1.544 1.00 40.53 ATOM 490 CG ASP 30 17.840 -45.016 -0.809 1.00 52.34 ATOM 491 OD1 ASP 30 17.125 -45.145 0.206 1.00 23.31 ATOM 492 OD2 ASP 30 18.463 -43.967 -1.059 1.00 63.54 ATOM 493 C ASP 30 18.347 -47.064 -4.051 1.00 45.23 ATOM 494 O ASP 30 19.513 -47.218 -4.423 1.00 44.41 ATOM 495 N GLY 31 17.380 -47.942 -4.330 1.00 65.33 ATOM 496 HN GLY 31 16.444 -47.678 -4.220 1.00 37.59 ATOM 497 CA GLY 31 17.703 -49.277 -4.831 1.00 32.35 ATOM 498 HA1 GLY 31 18.520 -49.207 -5.534 1.00 37.59 ATOM 499 HA2 GLY 31 16.837 -49.681 -5.336 1.00 23.34 ATOM 500 C GLY 31 18.103 -50.216 -3.695 1.00 73.14 ATOM 501 O GLY 31 18.766 -51.233 -3.908 1.00 22.54 ATOM 502 N ASP 32 17.679 -49.859 -2.483 1.00 33.54 ATOM 503 HN ASP 32 17.102 -49.075 -2.405 1.00 37.59 ATOM 504 CA ASP 32 18.037 -50.583 -1.261 1.00 24.12 ATOM 505 HA ASP 32 19.015 -51.019 -1.404 1.00 62.22 ATOM 506 CB ASP 32 18.099 -49.581 -0.099 1.00 15.31 ATOM 507 HB1 ASP 32 17.140 -49.088 -0.008 1.00 37.59 ATOM 508 HB2 ASP 32 18.852 -48.837 -0.320 1.00 3.31 ATOM 509 CG ASP 32 18.438 -50.226 1.232 1.00 33.42 ATOM 510 OD1 ASP 32 17.504 -50.588 1.972 1.00 71.23 ATOM 511 OD2 ASP 32 19.639 -50.364 1.549 1.00 23.21 ATOM 512 C ASP 32 17.021 -51.704 -0.952 1.00 61.41 ATOM 513 O ASP 32 15.809 -51.502 -1.082 1.00 10.22 ATOM 514 N PRO 33 17.501 -52.896 -0.529 1.00 33.14 ATOM 515 CA PRO 33 16.628 -54.047 -0.214 1.00 3.42 ATOM 516 HA PRO 33 16.086 -54.372 -1.091 1.00 44.20 ATOM 517 CB PRO 33 17.617 -55.148 0.207 1.00 21.44 ATOM 518 HB1 PRO 33 17.786 -55.821 -0.623 1.00 37.59 ATOM 519 HB2 PRO 33 17.218 -55.701 1.046 1.00 70.22 ATOM 520 CG PRO 33 18.866 -54.422 0.575 1.00 4.01 ATOM 521 HG1 PRO 33 19.727 -55.059 0.416 1.00 37.59 ATOM 522 HG2 PRO 33 18.819 -54.108 1.609 1.00 25.13 ATOM 523 CD PRO 33 18.925 -53.227 -0.333 1.00 63.50 ATOM 524 HD1 PRO 33 19.394 -53.483 -1.272 1.00 37.59 ATOM 525 HD2 PRO 33 19.452 -52.412 0.145 1.00 43.03 ATOM 526 C PRO 33 15.621 -53.764 0.917 1.00 54.25 ATOM 527 O PRO 33 14.469 -54.206 0.863 1.00 24.10 ATOM 528 N LYS 34 16.045 -53.017 1.933 1.00 52.01 ATOM 529 HN LYS 34 16.958 -52.652 1.913 1.00 37.59 ATOM 530 CA LYS 34 15.178 -52.713 3.075 1.00 52.20 ATOM 531 HA LYS 34 14.641 -53.617 3.328 1.00 33.01 ATOM 532 CB LYS 34 16.018 -52.286 4.287 1.00 15.44 ATOM 533 HB1 LYS 34 15.360 -52.102 5.126 1.00 37.59 ATOM 534 HB2 LYS 34 16.539 -51.369 4.044 1.00 24.32 ATOM 535 CG LYS 34 17.055 -53.324 4.710 1.00 20.02 ATOM 536 HG1 LYS 34 17.571 -52.961 5.588 1.00 37.59 ATOM 537 HG2 LYS 34 17.766 -53.452 3.906 1.00 30.52 ATOM 538 CD LYS 34 16.426 -54.681 5.029 1.00 33.42 ATOM 539 HD1 LYS 34 17.210 -55.368 5.318 1.00 37.59 ATOM 540 HD2 LYS 34 15.930 -55.055 4.145 1.00 14.30 ATOM 541 CE LYS 34 15.408 -54.591 6.162 1.00 2.12 ATOM 542 HE1 LYS 34 15.012 -55.578 6.354 1.00 37.59 ATOM 543 HE2 LYS 34 14.602 -53.938 5.859 1.00 32.14 ATOM 544 NZ LYS 34 16.008 -54.063 7.415 1.00 10.11 ATOM 545 HZ1 LYS 34 15.327 -54.136 8.196 1.00 30.24 ATOM 546 HZ2 LYS 34 16.269 -53.065 7.295 1.00 31.41 ATOM 547 HZ3 LYS 34 16.861 -54.604 7.662 1.00 70.40 ATOM 548 C LYS 34 14.155 -51.622 2.728 1.00 42.10 ATOM 549 O LYS 34 13.112 -51.513 3.371 1.00 74.40 ATOM 550 N ARG 35 14.452 -50.823 1.705 1.00 31.14 ATOM 551 HN ARG 35 15.318 -50.931 1.252 1.00 37.59 ATOM 552 CA ARG 35 13.529 -49.778 1.254 1.00 32.54 ATOM 553 HA ARG 35 13.333 -49.136 2.100 1.00 11.11 ATOM 554 CB ARG 35 14.166 -48.934 0.139 1.00 3.00 ATOM 555 HB1 ARG 35 14.570 -49.597 -0.613 1.00 37.59 ATOM 556 HB2 ARG 35 14.973 -48.350 0.560 1.00 42.03 ATOM 557 CG ARG 35 13.185 -47.981 -0.543 1.00 2.41 ATOM 558 HG1 ARG 35 12.638 -47.440 0.217 1.00 37.59 ATOM 559 HG2 ARG 35 12.493 -48.560 -1.137 1.00 63.03 ATOM 560 CD ARG 35 13.887 -46.979 -1.452 1.00 25.34 ATOM 561 HD1 ARG 35 13.151 -46.522 -2.099 1.00 37.59 ATOM 562 HD2 ARG 35 14.611 -47.508 -2.056 1.00 63.34 ATOM 563 NE ARG 35 14.578 -45.933 -0.699 1.00 30.11 ATOM 564 HE ARG 35 15.460 -46.143 -0.327 1.00 62.41 ATOM 565 CZ ARG 35 14.108 -44.729 -0.516 1.00 41.31 ATOM 566 NH1 ARG 35 12.940 -44.396 -0.956 1.00 60.23 ATOM 567 HH11 ARG 35 12.377 -45.060 -1.440 1.00 13.21 ATOM 568 HH12 ARG 35 12.613 -43.459 -0.818 1.00 15.44 ATOM 569 NH2 ARG 35 14.808 -43.851 0.112 1.00 11.51 ATOM 570 HH21 ARG 35 15.715 -44.091 0.458 1.00 63.21 ATOM 571 HH22 ARG 35 14.441 -42.930 0.251 1.00 1.25 ATOM 572 C ARG 35 12.191 -50.371 0.777 1.00 42.12 ATOM 573 O ARG 35 11.121 -49.931 1.201 1.00 23.11 ATOM 574 N LYS 36 12.249 -51.371 -0.104 1.00 73.11 ATOM 575 HN LYS 36 13.121 -51.683 -0.416 1.00 37.59 ATOM 576 CA LYS 36 11.022 -52.004 -0.605 1.00 74.33 ATOM 577 HA LYS 36 10.340 -51.202 -0.856 1.00 50.44 ATOM 578 CB LYS 36 11.263 -52.841 -1.879 1.00 2.43 ATOM 579 HB1 LYS 36 11.636 -52.182 -2.652 1.00 37.59 ATOM 580 HB2 LYS 36 10.314 -53.242 -2.204 1.00 24.30 ATOM 581 CG LYS 36 12.240 -54.012 -1.735 1.00 30.34 ATOM 582 HG1 LYS 36 11.944 -54.796 -2.417 1.00 37.59 ATOM 583 HG2 LYS 36 12.193 -54.385 -0.721 1.00 44.40 ATOM 584 CD LYS 36 13.683 -53.610 -2.041 1.00 44.42 ATOM 585 HD1 LYS 36 14.315 -54.480 -1.931 1.00 37.59 ATOM 586 HD2 LYS 36 13.995 -52.855 -1.337 1.00 51.42 ATOM 587 CE LYS 36 13.849 -53.059 -3.454 1.00 51.23 ATOM 588 HE1 LYS 36 14.866 -52.711 -3.571 1.00 37.59 ATOM 589 HE2 LYS 36 13.171 -52.227 -3.586 1.00 11.25 ATOM 590 NZ LYS 36 13.565 -54.078 -4.503 1.00 23.54 ATOM 591 HZ1 LYS 36 13.597 -53.637 -5.443 1.00 1.32 ATOM 592 HZ2 LYS 36 12.622 -54.494 -4.362 1.00 50.04 ATOM 593 HZ3 LYS 36 14.275 -54.838 -4.467 1.00 22.01 ATOM 594 C LYS 36 10.350 -52.863 0.476 1.00 1.32 ATOM 595 O LYS 36 9.137 -53.064 0.443 1.00 74.31 ATOM 596 N GLU 37 11.137 -53.363 1.432 1.00 71.35 ATOM 597 HN GLU 37 12.106 -53.236 1.367 1.00 37.59 ATOM 598 CA GLU 37 10.587 -54.104 2.576 1.00 62.51 ATOM 599 HA GLU 37 9.915 -54.856 2.182 1.00 11.42 ATOM 600 CB GLU 37 11.708 -54.807 3.357 1.00 31.41 ATOM 601 HB1 GLU 37 11.300 -55.207 4.275 1.00 37.59 ATOM 602 HB2 GLU 37 12.475 -54.083 3.599 1.00 4.20 ATOM 603 CG GLU 37 12.357 -55.951 2.585 1.00 64.25 ATOM 604 HG1 GLU 37 12.795 -55.548 1.681 1.00 37.59 ATOM 605 HG2 GLU 37 11.592 -56.667 2.320 1.00 23.01 ATOM 606 CD GLU 37 13.440 -56.674 3.374 1.00 42.15 ATOM 607 OE1 GLU 37 13.263 -56.874 4.598 1.00 51.04 ATOM 608 OE2 GLU 37 14.458 -57.076 2.767 1.00 60.30 ATOM 609 C GLU 37 9.785 -53.174 3.501 1.00 44.42 ATOM 610 O GLU 37 8.678 -53.510 3.924 1.00 44.31 ATOM 611 N PHE 38 10.343 -51.999 3.798 1.00 34.51 ATOM 612 HN PHE 38 11.258 -51.819 3.499 1.00 37.59 ATOM 613 CA PHE 38 9.629 -50.975 4.570 1.00 60.20 ATOM 614 HA PHE 38 9.432 -51.380 5.554 1.00 10.41 ATOM 615 CB PHE 38 10.492 -49.711 4.715 1.00 32.11 ATOM 616 HB1 PHE 38 10.820 -49.392 3.734 1.00 37.59 ATOM 617 HB2 PHE 38 11.360 -49.944 5.316 1.00 40.51 ATOM 618 CG PHE 38 9.770 -48.553 5.369 1.00 4.35 ATOM 619 CD1 PHE 38 9.209 -47.540 4.599 1.00 5.23 ATOM 620 HD1 PHE 38 9.298 -47.583 3.523 1.00 31.11 ATOM 621 CD2 PHE 38 9.645 -48.481 6.750 1.00 22.22 ATOM 622 HD2 PHE 38 10.075 -49.259 7.364 1.00 24.51 ATOM 623 CE1 PHE 38 8.541 -46.486 5.191 1.00 61.42 ATOM 624 HE1 PHE 38 8.110 -45.707 4.579 1.00 23.11 ATOM 625 CE2 PHE 38 8.977 -47.426 7.345 1.00 33.41 ATOM 626 HE2 PHE 38 8.886 -47.382 8.421 1.00 4.52 ATOM 627 CZ PHE 38 8.424 -46.429 6.565 1.00 72.20 ATOM 628 HZ PHE 38 7.901 -45.606 7.029 1.00 74.02 ATOM 629 C PHE 38 8.293 -50.626 3.901 1.00 50.32 ATOM 630 O PHE 38 7.243 -50.640 4.542 1.00 32.44 ATOM 631 N LEU 39 8.345 -50.315 2.605 1.00 74.31 ATOM 632 HN LEU 39 9.220 -50.274 2.161 1.00 37.59 ATOM 633 CA LEU 39 7.135 -50.025 1.825 1.00 3.30 ATOM 634 HA LEU 39 6.634 -49.189 2.294 1.00 65.31 ATOM 635 CB LEU 39 7.510 -49.637 0.387 1.00 33.25 ATOM 636 HB1 LEU 39 6.597 -49.471 -0.169 1.00 37.59 ATOM 637 HB2 LEU 39 8.035 -50.469 -0.062 1.00 60.03 ATOM 638 CG LEU 39 8.391 -48.381 0.246 1.00 21.44 ATOM 639 HG LEU 39 9.318 -48.542 0.779 1.00 35.41 ATOM 640 CD1 LEU 39 8.736 -48.125 -1.219 1.00 53.31 ATOM 641 HD11 LEU 39 9.341 -47.232 -1.297 1.00 44.21 ATOM 642 HD12 LEU 39 7.827 -47.994 -1.789 1.00 34.11 ATOM 643 HD13 LEU 39 9.289 -48.966 -1.611 1.00 35.12 ATOM 644 CD2 LEU 39 7.702 -47.162 0.860 1.00 1.33 ATOM 645 HD21 LEU 39 7.541 -47.333 1.915 1.00 15.13 ATOM 646 HD22 LEU 39 6.751 -46.999 0.373 1.00 5.21 ATOM 647 HD23 LEU 39 8.327 -46.291 0.730 1.00 62.41 ATOM 648 C LEU 39 6.177 -51.228 1.808 1.00 34.12 ATOM 649 O LEU 39 4.957 -51.063 1.842 1.00 24.55 ATOM 650 N ASP 40 6.741 -52.435 1.762 1.00 51.12 ATOM 651 HN ASP 40 7.719 -52.500 1.747 1.00 37.59 ATOM 652 CA ASP 40 5.948 -53.670 1.739 1.00 72.21 ATOM 653 HA ASP 40 5.291 -53.629 0.881 1.00 43.32 ATOM 654 CB ASP 40 6.895 -54.868 1.589 1.00 54.01 ATOM 655 HB1 ASP 40 7.563 -54.897 2.440 1.00 37.59 ATOM 656 HB2 ASP 40 7.481 -54.742 0.690 1.00 75.41 ATOM 657 CG ASP 40 6.167 -56.195 1.502 1.00 35.42 ATOM 658 OD1 ASP 40 5.909 -56.805 2.557 1.00 12.01 ATOM 659 OD2 ASP 40 5.862 -56.644 0.377 1.00 70.10 ATOM 660 C ASP 40 5.096 -53.810 3.017 1.00 35.42 ATOM 661 O ASP 40 3.872 -53.979 2.949 1.00 61.53 ATOM 662 N ASP 41 5.747 -53.712 4.178 1.00 13.02 ATOM 663 HN ASP 41 6.726 -53.628 4.172 1.00 37.59 ATOM 664 CA ASP 41 5.042 -53.737 5.462 1.00 75.24 ATOM 665 HA ASP 41 4.441 -54.639 5.490 1.00 32.31 ATOM 666 CB ASP 41 6.037 -53.772 6.629 1.00 32.54 ATOM 667 HB1 ASP 41 5.520 -53.525 7.548 1.00 37.59 ATOM 668 HB2 ASP 41 6.814 -53.040 6.454 1.00 24.11 ATOM 669 CG ASP 41 6.686 -55.135 6.791 1.00 12.52 ATOM 670 OD1 ASP 41 7.742 -55.378 6.172 1.00 15.10 ATOM 671 OD2 ASP 41 6.138 -55.969 7.544 1.00 71.24 ATOM 672 C ASP 41 4.111 -52.528 5.599 1.00 54.01 ATOM 673 O ASP 41 2.986 -52.655 6.076 1.00 50.34 ATOM 674 N LEU 42 4.588 -51.362 5.165 1.00 73.21 ATOM 675 HN LEU 42 5.502 -51.329 4.808 1.00 37.59 ATOM 676 CA LEU 42 3.799 -50.128 5.206 1.00 14.30 ATOM 677 HA LEU 42 3.637 -49.876 6.245 1.00 41.31 ATOM 678 CB LEU 42 4.570 -48.981 4.534 1.00 41.34 ATOM 679 HB1 LEU 42 4.830 -49.290 3.531 1.00 37.59 ATOM 680 HB2 LEU 42 5.485 -48.819 5.088 1.00 61.33 ATOM 681 CG LEU 42 3.816 -47.642 4.443 1.00 31.43 ATOM 682 HG LEU 42 2.871 -47.808 3.944 1.00 22.42 ATOM 683 CD1 LEU 42 3.510 -47.090 5.835 1.00 65.33 ATOM 684 HD11 LEU 42 2.944 -46.175 5.742 1.00 53.44 ATOM 685 HD12 LEU 42 4.434 -46.889 6.358 1.00 10.14 ATOM 686 HD13 LEU 42 2.933 -47.814 6.390 1.00 73.20 ATOM 687 CD2 LEU 42 4.609 -46.634 3.613 1.00 74.21 ATOM 688 HD21 LEU 42 4.729 -47.012 2.609 1.00 4.12 ATOM 689 HD22 LEU 42 5.581 -46.480 4.059 1.00 72.13 ATOM 690 HD23 LEU 42 4.075 -45.694 3.581 1.00 42.32 ATOM 691 C LEU 42 2.433 -50.307 4.525 1.00 22.32 ATOM 692 O LEU 42 1.390 -50.110 5.152 1.00 63.34 ATOM 693 N PHE 43 2.446 -50.703 3.250 1.00 22.13 ATOM 694 HN PHE 43 3.308 -50.883 2.816 1.00 37.59 ATOM 695 CA PHE 43 1.208 -50.876 2.480 1.00 11.41 ATOM 696 HA PHE 43 0.729 -49.909 2.412 1.00 51.52 ATOM 697 CB PHE 43 1.512 -51.375 1.060 1.00 15.55 ATOM 698 HB1 PHE 43 0.580 -51.495 0.523 1.00 37.59 ATOM 699 HB2 PHE 43 2.006 -52.334 1.126 1.00 5.33 ATOM 700 CG PHE 43 2.396 -50.455 0.250 1.00 23.42 ATOM 701 CD1 PHE 43 2.342 -49.077 0.423 1.00 41.15 ATOM 702 HD1 PHE 43 1.660 -48.658 1.150 1.00 74.10 ATOM 703 CD2 PHE 43 3.280 -50.971 -0.687 1.00 23.21 ATOM 704 HD2 PHE 43 3.332 -52.041 -0.834 1.00 34.21 ATOM 705 CE1 PHE 43 3.152 -48.240 -0.320 1.00 41.53 ATOM 706 HE1 PHE 43 3.100 -47.170 -0.177 1.00 72.13 ATOM 707 CE2 PHE 43 4.091 -50.137 -1.430 1.00 64.43 ATOM 708 HE2 PHE 43 4.776 -50.553 -2.154 1.00 35.52 ATOM 709 CZ PHE 43 4.027 -48.770 -1.247 1.00 34.24 ATOM 710 HZ PHE 43 4.661 -48.116 -1.827 1.00 41.21 ATOM 711 C PHE 43 0.244 -51.849 3.174 1.00 3.51 ATOM 712 O PHE 43 -0.919 -51.524 3.394 1.00 34.13 ATOM 713 N SER 44 0.739 -53.035 3.530 1.00 24.11 ATOM 714 HN SER 44 1.685 -53.235 3.339 1.00 37.59 ATOM 715 CA SER 44 -0.089 -54.056 4.201 1.00 62.52 ATOM 716 HA SER 44 -0.935 -54.266 3.563 1.00 54.24 ATOM 717 CB SER 44 0.719 -55.346 4.397 1.00 44.34 ATOM 718 HB1 SER 44 1.575 -55.139 5.025 1.00 37.59 ATOM 719 HB2 SER 44 1.059 -55.702 3.436 1.00 23.23 ATOM 720 OG SER 44 -0.060 -56.367 5.010 1.00 20.54 ATOM 721 HG SER 44 0.102 -57.205 4.552 1.00 75.43 ATOM 722 C SER 44 -0.606 -53.563 5.563 1.00 22.22 ATOM 723 O SER 44 -1.734 -53.861 5.964 1.00 53.31 ATOM 724 N PHE 45 0.232 -52.799 6.253 1.00 25.24 ATOM 725 HN PHE 45 1.099 -52.575 5.851 1.00 37.59 ATOM 726 CA PHE 45 -0.075 -52.268 7.589 1.00 2.44 ATOM 727 HA PHE 45 -0.371 -53.096 8.218 1.00 73.31 ATOM 728 CB PHE 45 1.202 -51.632 8.164 1.00 74.14 ATOM 729 HB1 PHE 45 1.559 -50.883 7.469 1.00 37.59 ATOM 730 HB2 PHE 45 1.957 -52.399 8.260 1.00 75.13 ATOM 731 CG PHE 45 1.046 -50.973 9.511 1.00 20.40 ATOM 732 CD1 PHE 45 1.303 -51.680 10.674 1.00 42.22 ATOM 733 HD1 PHE 45 1.607 -52.715 10.610 1.00 24.11 ATOM 734 CD2 PHE 45 0.660 -49.645 9.610 1.00 11.31 ATOM 735 HD2 PHE 45 0.456 -49.082 8.710 1.00 32.05 ATOM 736 CE1 PHE 45 1.176 -51.076 11.909 1.00 11.10 ATOM 737 HE1 PHE 45 1.379 -51.639 12.809 1.00 22.30 ATOM 738 CE2 PHE 45 0.529 -49.040 10.841 1.00 60.01 ATOM 739 HE2 PHE 45 0.227 -48.005 10.904 1.00 54.23 ATOM 740 CZ PHE 45 0.788 -49.756 11.993 1.00 53.30 ATOM 741 HZ PHE 45 0.687 -49.282 12.958 1.00 34.13 ATOM 742 C PHE 45 -1.215 -51.235 7.551 1.00 74.12 ATOM 743 O PHE 45 -2.213 -51.359 8.266 1.00 74.01 ATOM 744 N MET 46 -1.050 -50.205 6.727 1.00 55.31 ATOM 745 HN MET 46 -0.236 -50.163 6.176 1.00 37.59 ATOM 746 CA MET 46 -2.044 -49.129 6.618 1.00 32.12 ATOM 747 HA MET 46 -2.328 -48.850 7.625 1.00 42.54 ATOM 748 CB MET 46 -1.412 -47.907 5.937 1.00 2.20 ATOM 749 HB1 MET 46 -0.598 -47.542 6.554 1.00 37.59 ATOM 750 HB2 MET 46 -2.160 -47.130 5.857 1.00 63.02 ATOM 751 CG MET 46 -0.867 -48.189 4.544 1.00 35.35 ATOM 752 HG1 MET 46 -1.698 -48.348 3.870 1.00 37.59 ATOM 753 HG2 MET 46 -0.261 -49.081 4.581 1.00 24.33 ATOM 754 SD MET 46 0.141 -46.839 3.908 1.00 24.01 ATOM 755 CE MET 46 -1.022 -45.484 3.988 1.00 73.23 ATOM 756 HE1 MET 46 -1.328 -45.331 5.013 1.00 62.33 ATOM 757 HE2 MET 46 -1.888 -45.716 3.385 1.00 13.01 ATOM 758 HE3 MET 46 -0.552 -44.589 3.615 1.00 0.24 ATOM 759 C MET 46 -3.311 -49.595 5.870 1.00 14.24 ATOM 760 O MET 46 -4.420 -49.144 6.164 1.00 65.41 ATOM 761 N GLN 47 -3.136 -50.515 4.921 1.00 35.41 ATOM 762 HN GLN 47 -2.222 -50.797 4.701 1.00 37.59 ATOM 763 CA GLN 47 -4.259 -51.117 4.181 1.00 20.34 ATOM 764 HA GLN 47 -4.686 -50.358 3.542 1.00 74.31 ATOM 765 CB GLN 47 -3.726 -52.266 3.307 1.00 2.11 ATOM 766 HB1 GLN 47 -3.025 -52.847 3.893 1.00 37.59 ATOM 767 HB2 GLN 47 -3.203 -51.842 2.463 1.00 4.12 ATOM 768 CG GLN 47 -4.797 -53.212 2.769 1.00 72.22 ATOM 769 HG1 GLN 47 -5.373 -52.694 2.015 1.00 37.59 ATOM 770 HG2 GLN 47 -5.449 -53.501 3.581 1.00 40.14 ATOM 771 CD GLN 47 -4.206 -54.469 2.153 1.00 61.33 ATOM 772 OE1 GLN 47 -3.987 -55.468 2.833 1.00 13.31 ATOM 773 NE2 GLN 47 -3.952 -54.435 0.863 1.00 15.44 ATOM 774 HE21 GLN 47 -4.153 -53.612 0.373 1.00 44.34 ATOM 775 HE22 GLN 47 -3.571 -55.235 0.445 1.00 44.43 ATOM 776 C GLN 47 -5.350 -51.659 5.123 1.00 62.53 ATOM 777 O GLN 47 -6.518 -51.285 5.024 1.00 24.32 ATOM 778 N LYS 48 -4.943 -52.525 6.047 1.00 13.50 ATOM 779 HN LYS 48 -3.980 -52.675 6.161 1.00 37.59 ATOM 780 CA LYS 48 -5.883 -53.268 6.896 1.00 2.42 ATOM 781 HA LYS 48 -6.649 -53.668 6.246 1.00 42.33 ATOM 782 CB LYS 48 -5.144 -54.446 7.545 1.00 33.41 ATOM 783 HB1 LYS 48 -5.813 -54.956 8.223 1.00 37.59 ATOM 784 HB2 LYS 48 -4.296 -54.068 8.100 1.00 52.30 ATOM 785 CG LYS 48 -4.643 -55.452 6.510 1.00 50.03 ATOM 786 HG1 LYS 48 -4.087 -54.920 5.750 1.00 37.59 ATOM 787 HG2 LYS 48 -5.495 -55.932 6.056 1.00 34.14 ATOM 788 CD LYS 48 -3.746 -56.525 7.113 1.00 54.23 ATOM 789 HD1 LYS 48 -4.264 -56.995 7.939 1.00 37.59 ATOM 790 HD2 LYS 48 -2.838 -56.063 7.472 1.00 64.34 ATOM 791 CE LYS 48 -3.388 -57.590 6.080 1.00 62.13 ATOM 792 HE1 LYS 48 -4.290 -58.114 5.793 1.00 37.59 ATOM 793 HE2 LYS 48 -2.698 -58.289 6.528 1.00 65.04 ATOM 794 NZ LYS 48 -2.756 -57.011 4.859 1.00 1.43 ATOM 795 HZ1 LYS 48 -3.400 -56.327 4.409 1.00 54.01 ATOM 796 HZ2 LYS 48 -2.547 -57.767 4.175 1.00 32.42 ATOM 797 HZ3 LYS 48 -1.869 -56.526 5.106 1.00 2.24 ATOM 798 C LYS 48 -6.576 -52.383 7.949 1.00 70.24 ATOM 799 O LYS 48 -7.559 -52.797 8.566 1.00 22.31 ATOM 800 N ARG 49 -6.067 -51.170 8.153 1.00 73.23 ATOM 801 HN ARG 49 -5.223 -50.930 7.719 1.00 37.59 ATOM 802 CA ARG 49 -6.744 -50.182 9.013 1.00 50.44 ATOM 803 HA ARG 49 -7.467 -50.721 9.611 1.00 64.22 ATOM 804 CB ARG 49 -5.746 -49.497 9.965 1.00 51.35 ATOM 805 HB1 ARG 49 -5.597 -50.136 10.824 1.00 37.59 ATOM 806 HB2 ARG 49 -6.171 -48.561 10.302 1.00 50.25 ATOM 807 CG ARG 49 -4.384 -49.205 9.350 1.00 74.20 ATOM 808 HG1 ARG 49 -4.522 -48.585 8.475 1.00 37.59 ATOM 809 HG2 ARG 49 -3.927 -50.140 9.057 1.00 33.24 ATOM 810 CD ARG 49 -3.455 -48.487 10.326 1.00 50.31 ATOM 811 HD1 ARG 49 -3.738 -47.444 10.369 1.00 37.59 ATOM 812 HD2 ARG 49 -2.442 -48.564 9.960 1.00 73.31 ATOM 813 NE ARG 49 -3.515 -49.047 11.681 1.00 4.34 ATOM 814 HE ARG 49 -4.073 -48.574 12.337 1.00 21.20 ATOM 815 CZ ARG 49 -2.854 -50.102 12.090 1.00 24.25 ATOM 816 NH1 ARG 49 -2.161 -50.819 11.261 1.00 54.22 ATOM 817 HH11 ARG 49 -2.127 -50.575 10.297 1.00 34.45 ATOM 818 HH12 ARG 49 -1.670 -51.624 11.591 1.00 43.41 ATOM 819 NH2 ARG 49 -2.919 -50.452 13.334 1.00 71.40 ATOM 820 HH21 ARG 49 -3.474 -49.920 13.973 1.00 4.11 ATOM 821 HH22 ARG 49 -2.408 -51.249 13.659 1.00 34.01 ATOM 822 C ARG 49 -7.514 -49.143 8.177 1.00 15.11 ATOM 823 O ARG 49 -7.855 -48.064 8.665 1.00 3.41 ATOM 824 N GLY 50 -7.792 -49.487 6.919 1.00 0.14 ATOM 825 HN GLY 50 -7.410 -50.313 6.555 1.00 37.59 ATOM 826 CA GLY 50 -8.660 -48.664 6.079 1.00 33.15 ATOM 827 HA1 GLY 50 -9.490 -48.318 6.680 1.00 37.59 ATOM 828 HA2 GLY 50 -9.050 -49.283 5.286 1.00 43.14 ATOM 829 C GLY 50 -7.974 -47.453 5.451 1.00 15.11 ATOM 830 O GLY 50 -8.574 -46.380 5.348 1.00 24.14 ATOM 831 N THR 51 -6.720 -47.607 5.023 1.00 71.24 ATOM 832 HN THR 51 -6.263 -48.463 5.172 1.00 37.59 ATOM 833 CA THR 51 -6.006 -46.511 4.342 1.00 12.14 ATOM 834 HA THR 51 -6.700 -46.066 3.639 1.00 30.20 ATOM 835 CB THR 51 -5.567 -45.393 5.332 1.00 52.03 ATOM 836 HB THR 51 -6.455 -44.888 5.693 1.00 4.25 ATOM 837 OG1 THR 51 -4.740 -44.433 4.657 1.00 23.10 ATOM 838 HG1 THR 51 -3.814 -44.619 4.851 1.00 45.33 ATOM 839 CG2 THR 51 -4.818 -45.965 6.535 1.00 22.04 ATOM 840 HG21 THR 51 -3.939 -46.494 6.194 1.00 1.14 ATOM 841 HG22 THR 51 -5.462 -46.647 7.070 1.00 73.30 ATOM 842 HG23 THR 51 -4.521 -45.160 7.191 1.00 71.23 ATOM 843 C THR 51 -4.778 -47.000 3.553 1.00 23.23 ATOM 844 O THR 51 -3.668 -47.034 4.072 1.00 60.42 ATOM 845 N PRO 52 -4.960 -47.408 2.283 1.00 12.11 ATOM 846 CA PRO 52 -3.842 -47.775 1.404 1.00 53.52 ATOM 847 HA PRO 52 -3.066 -48.301 1.943 1.00 10.44 ATOM 848 CB PRO 52 -4.513 -48.721 0.403 1.00 11.11 ATOM 849 HB1 PRO 52 -4.503 -49.728 0.793 1.00 37.59 ATOM 850 HB2 PRO 52 -3.987 -48.691 -0.542 1.00 75.04 ATOM 851 CG PRO 52 -5.909 -48.199 0.275 1.00 13.23 ATOM 852 HG1 PRO 52 -6.585 -49.014 0.052 1.00 37.59 ATOM 853 HG2 PRO 52 -5.952 -47.457 -0.511 1.00 11.00 ATOM 854 CD PRO 52 -6.263 -47.573 1.609 1.00 41.34 ATOM 855 HD1 PRO 52 -6.906 -48.231 2.177 1.00 37.59 ATOM 856 HD2 PRO 52 -6.742 -46.614 1.461 1.00 22.44 ATOM 857 C PRO 52 -3.231 -46.555 0.684 1.00 22.23 ATOM 858 O PRO 52 -3.837 -45.483 0.626 1.00 3.21 ATOM 859 N VAL 53 -2.032 -46.719 0.127 1.00 71.25 ATOM 860 HN VAL 53 -1.585 -47.592 0.196 1.00 37.59 ATOM 861 CA VAL 53 -1.368 -45.629 -0.599 1.00 23.51 ATOM 862 HA VAL 53 -1.640 -44.697 -0.119 1.00 73.22 ATOM 863 CB VAL 53 0.179 -45.762 -0.553 1.00 63.12 ATOM 864 HB VAL 53 0.451 -46.698 -1.025 1.00 72.14 ATOM 865 CG1 VAL 53 0.853 -44.627 -1.329 1.00 55.13 ATOM 866 HG11 VAL 53 1.926 -44.752 -1.294 1.00 55.34 ATOM 867 HG12 VAL 53 0.588 -43.677 -0.885 1.00 14.44 ATOM 868 HG13 VAL 53 0.523 -44.646 -2.358 1.00 51.21 ATOM 869 CG2 VAL 53 0.675 -45.799 0.891 1.00 41.42 ATOM 870 HG21 VAL 53 1.751 -45.900 0.901 1.00 25.35 ATOM 871 HG22 VAL 53 0.233 -46.642 1.404 1.00 31.33 ATOM 872 HG23 VAL 53 0.395 -44.885 1.395 1.00 50.12 ATOM 873 C VAL 53 -1.826 -45.583 -2.064 1.00 24.21 ATOM 874 O VAL 53 -1.397 -46.396 -2.887 1.00 22.11 ATOM 875 N ASN 54 -2.720 -44.648 -2.379 1.00 41.01 ATOM 876 HN ASN 54 -3.084 -44.078 -1.669 1.00 37.59 ATOM 877 CA ASN 54 -3.184 -44.462 -3.757 1.00 45.01 ATOM 878 HA ASN 54 -3.187 -45.433 -4.234 1.00 73.22 ATOM 879 CB ASN 54 -4.611 -43.904 -3.771 1.00 14.34 ATOM 880 HB1 ASN 54 -4.617 -42.932 -3.299 1.00 37.59 ATOM 881 HB2 ASN 54 -5.257 -44.570 -3.215 1.00 15.42 ATOM 882 CG ASN 54 -5.164 -43.762 -5.177 1.00 3.22 ATOM 883 OD1 ASN 54 -5.030 -42.720 -5.810 1.00 2.44 ATOM 884 ND2 ASN 54 -5.782 -44.807 -5.681 1.00 72.21 ATOM 885 HD21 ASN 54 -5.855 -45.611 -5.132 1.00 61.55 ATOM 886 HD22 ASN 54 -6.136 -44.738 -6.591 1.00 60.43 ATOM 887 C ASN 54 -2.228 -43.543 -4.538 1.00 1.23 ATOM 888 O ASN 54 -1.407 -44.018 -5.326 1.00 72.44 ATOM 889 N ARG 55 -2.319 -42.230 -4.309 1.00 5.53 ATOM 890 HN ARG 55 -3.003 -41.896 -3.694 1.00 37.59 ATOM 891 CA ARG 55 -1.407 -41.278 -4.960 1.00 72.43 ATOM 892 HA ARG 55 -0.876 -41.819 -5.732 1.00 21.30 ATOM 893 CB ARG 55 -2.180 -40.125 -5.623 1.00 33.23 ATOM 894 HB1 ARG 55 -2.869 -40.543 -6.343 1.00 37.59 ATOM 895 HB2 ARG 55 -1.474 -39.495 -6.148 1.00 45.30 ATOM 896 CG ARG 55 -2.975 -39.248 -4.660 1.00 64.31 ATOM 897 HG1 ARG 55 -2.312 -38.888 -3.884 1.00 37.59 ATOM 898 HG2 ARG 55 -3.764 -39.837 -4.215 1.00 4.22 ATOM 899 CD ARG 55 -3.596 -38.050 -5.377 1.00 35.04 ATOM 900 HD1 ARG 55 -2.801 -37.432 -5.772 1.00 37.59 ATOM 901 HD2 ARG 55 -4.171 -37.479 -4.663 1.00 73.22 ATOM 902 NE ARG 55 -4.479 -38.456 -6.474 1.00 63.03 ATOM 903 HE ARG 55 -5.178 -39.110 -6.272 1.00 41.00 ATOM 904 CZ ARG 55 -4.402 -37.992 -7.695 1.00 34.00 ATOM 905 NH1 ARG 55 -3.491 -37.135 -8.025 1.00 21.24 ATOM 906 HH11 ARG 55 -2.830 -36.818 -7.344 1.00 52.12 ATOM 907 HH12 ARG 55 -3.451 -36.788 -8.961 1.00 33.22 ATOM 908 NH2 ARG 55 -5.239 -38.390 -8.595 1.00 32.21 ATOM 909 HH21 ARG 55 -5.948 -39.051 -8.358 1.00 3.14 ATOM 910 HH22 ARG 55 -5.172 -38.036 -9.526 1.00 4.31 ATOM 911 C ARG 55 -0.365 -40.726 -3.971 1.00 34.15 ATOM 912 O ARG 55 -0.597 -40.673 -2.758 1.00 24.43 ATOM 913 N ILE 56 0.777 -40.308 -4.506 1.00 12.14 ATOM 914 HN ILE 56 0.857 -40.286 -5.482 1.00 37.59 ATOM 915 CA ILE 56 1.921 -39.877 -3.698 1.00 62.31 ATOM 916 HA ILE 56 1.775 -40.236 -2.688 1.00 75.30 ATOM 917 CB ILE 56 3.225 -40.507 -4.253 1.00 31.10 ATOM 918 HB ILE 56 3.396 -40.107 -5.243 1.00 62.13 ATOM 919 CG1 ILE 56 3.068 -42.036 -4.352 1.00 41.33 ATOM 920 HG11 ILE 56 2.172 -42.265 -4.913 1.00 37.59 ATOM 921 HG12 ILE 56 2.978 -42.450 -3.359 1.00 2.13 ATOM 922 CG2 ILE 56 4.425 -40.139 -3.381 1.00 44.40 ATOM 923 HG21 ILE 56 5.313 -40.628 -3.759 1.00 31.22 ATOM 924 HG22 ILE 56 4.247 -40.457 -2.364 1.00 33.22 ATOM 925 HG23 ILE 56 4.570 -39.068 -3.400 1.00 71.54 ATOM 926 CD1 ILE 56 4.227 -42.725 -5.034 1.00 11.51 ATOM 927 HD11 ILE 56 5.137 -42.533 -4.485 1.00 33.11 ATOM 928 HD12 ILE 56 4.327 -42.348 -6.041 1.00 30.03 ATOM 929 HD13 ILE 56 4.043 -43.789 -5.066 1.00 21.11 ATOM 930 C ILE 56 2.061 -38.342 -3.675 1.00 62.14 ATOM 931 O ILE 56 1.992 -37.689 -4.718 1.00 11.45 ATOM 932 N PRO 57 2.259 -37.738 -2.482 1.00 50.21 ATOM 933 CA PRO 57 2.441 -36.281 -2.357 1.00 14.15 ATOM 934 HA PRO 57 1.602 -35.746 -2.782 1.00 54.24 ATOM 935 CB PRO 57 2.472 -36.051 -0.836 1.00 41.30 ATOM 936 HB1 PRO 57 1.487 -35.764 -0.493 1.00 37.59 ATOM 937 HB2 PRO 57 3.180 -35.270 -0.595 1.00 31.01 ATOM 938 CG PRO 57 2.887 -37.365 -0.259 1.00 30.15 ATOM 939 HG1 PRO 57 2.490 -37.473 0.741 1.00 37.59 ATOM 940 HG2 PRO 57 3.967 -37.437 -0.243 1.00 25.54 ATOM 941 CD PRO 57 2.307 -38.414 -1.169 1.00 71.45 ATOM 942 HD1 PRO 57 1.315 -38.693 -0.842 1.00 37.59 ATOM 943 HD2 PRO 57 2.951 -39.283 -1.203 1.00 62.13 ATOM 944 C PRO 57 3.740 -35.778 -3.017 1.00 51.23 ATOM 945 O PRO 57 4.842 -36.003 -2.511 1.00 42.55 ATOM 946 N ILE 58 3.603 -35.109 -4.160 1.00 72.04 ATOM 947 HN ILE 58 2.707 -34.998 -4.539 1.00 37.59 ATOM 948 CA ILE 58 4.755 -34.553 -4.876 1.00 10.12 ATOM 949 HA ILE 58 5.573 -35.257 -4.789 1.00 20.52 ATOM 950 CB ILE 58 4.439 -34.361 -6.382 1.00 41.20 ATOM 951 HB ILE 58 3.650 -33.626 -6.469 1.00 15.51 ATOM 952 CG1 ILE 58 3.957 -35.683 -7.007 1.00 65.41 ATOM 953 HG11 ILE 58 3.718 -35.517 -8.048 1.00 37.59 ATOM 954 HG12 ILE 58 3.067 -36.011 -6.491 1.00 4.33 ATOM 955 CG2 ILE 58 5.661 -33.828 -7.130 1.00 75.13 ATOM 956 HG21 ILE 58 6.484 -34.521 -7.020 1.00 23.13 ATOM 957 HG22 ILE 58 5.944 -32.868 -6.724 1.00 11.00 ATOM 958 HG23 ILE 58 5.423 -33.717 -8.179 1.00 31.43 ATOM 959 CD1 ILE 58 4.970 -36.812 -6.938 1.00 73.20 ATOM 960 HD11 ILE 58 5.882 -36.509 -7.431 1.00 22.32 ATOM 961 HD12 ILE 58 4.569 -37.685 -7.430 1.00 64.03 ATOM 962 HD13 ILE 58 5.180 -37.046 -5.904 1.00 33.53 ATOM 963 C ILE 58 5.191 -33.207 -4.268 1.00 40.11 ATOM 964 O ILE 58 4.459 -32.216 -4.329 1.00 54.23 ATOM 965 N MET 59 6.386 -33.181 -3.682 1.00 61.33 ATOM 966 HN MET 59 6.937 -33.994 -3.695 1.00 37.59 ATOM 967 CA MET 59 6.919 -31.973 -3.037 1.00 24.01 ATOM 968 HA MET 59 6.126 -31.237 -2.994 1.00 33.42 ATOM 969 CB MET 59 7.383 -32.292 -1.607 1.00 42.00 ATOM 970 HB1 MET 59 8.117 -33.085 -1.646 1.00 37.59 ATOM 971 HB2 MET 59 6.532 -32.632 -1.034 1.00 4.20 ATOM 972 CG MET 59 8.002 -31.100 -0.881 1.00 52.43 ATOM 973 HG1 MET 59 8.867 -30.763 -1.436 1.00 37.59 ATOM 974 HG2 MET 59 8.311 -31.416 0.104 1.00 1.33 ATOM 975 SD MET 59 6.857 -29.719 -0.711 1.00 20.13 ATOM 976 CE MET 59 5.633 -30.421 0.392 1.00 74.24 ATOM 977 HE1 MET 59 5.188 -31.291 -0.069 1.00 33.03 ATOM 978 HE2 MET 59 4.868 -29.686 0.592 1.00 63.52 ATOM 979 HE3 MET 59 6.108 -30.707 1.319 1.00 13.40 ATOM 980 C MET 59 8.092 -31.391 -3.840 1.00 1.34 ATOM 981 O MET 59 9.005 -32.117 -4.225 1.00 64.03 ATOM 982 N ALA 60 8.058 -30.078 -4.084 1.00 62.44 ATOM 983 HN ALA 60 7.296 -29.558 -3.756 1.00 37.59 ATOM 984 CA ALA 60 9.130 -29.387 -4.818 1.00 3.14 ATOM 985 HA ALA 60 8.828 -28.356 -4.944 1.00 74.24 ATOM 986 CB ALA 60 10.420 -29.400 -3.998 1.00 52.25 ATOM 987 HB1 ALA 60 10.235 -28.969 -3.025 1.00 71.01 ATOM 988 HB2 ALA 60 11.179 -28.824 -4.508 1.00 51.33 ATOM 989 HB3 ALA 60 10.762 -30.419 -3.880 1.00 22.45 ATOM 990 C ALA 60 9.365 -30.000 -6.211 1.00 12.22 ATOM 991 O ALA 60 10.482 -29.981 -6.726 1.00 62.01 ATOM 992 N LYS 61 8.289 -30.523 -6.814 1.00 3.05 ATOM 993 HN LYS 61 7.427 -30.481 -6.349 1.00 37.59 ATOM 994 CA LYS 61 8.341 -31.161 -8.141 1.00 74.24 ATOM 995 HA LYS 61 7.317 -31.321 -8.446 1.00 1.33 ATOM 996 CB LYS 61 9.013 -30.243 -9.181 1.00 23.50 ATOM 997 HB1 LYS 61 9.354 -30.846 -10.011 1.00 37.59 ATOM 998 HB2 LYS 61 9.868 -29.769 -8.723 1.00 43.34 ATOM 999 CG LYS 61 8.105 -29.148 -9.730 1.00 43.13 ATOM 1000 HG1 LYS 61 8.660 -28.561 -10.448 1.00 37.59 ATOM 1001 HG2 LYS 61 7.788 -28.513 -8.914 1.00 0.50 ATOM 1002 CD LYS 61 6.868 -29.728 -10.415 1.00 70.14 ATOM 1003 HD1 LYS 61 6.331 -28.923 -10.899 1.00 37.59 ATOM 1004 HD2 LYS 61 6.233 -30.178 -9.666 1.00 74.11 ATOM 1005 CE LYS 61 7.219 -30.786 -11.460 1.00 10.23 ATOM 1006 HE1 LYS 61 6.305 -31.124 -11.929 1.00 37.59 ATOM 1007 HE2 LYS 61 7.697 -31.620 -10.967 1.00 12.42 ATOM 1008 NZ LYS 61 8.130 -30.261 -12.508 1.00 73.04 ATOM 1009 HZ1 LYS 61 8.410 -31.028 -13.153 1.00 62.40 ATOM 1010 HZ2 LYS 61 8.986 -29.859 -12.077 1.00 13.42 ATOM 1011 HZ3 LYS 61 7.653 -29.521 -13.058 1.00 70.54 ATOM 1012 C LYS 61 9.035 -32.534 -8.121 1.00 52.34 ATOM 1013 O LYS 61 9.347 -33.092 -9.178 1.00 55.23 ATOM 1014 N GLN 62 9.262 -33.086 -6.932 1.00 55.15 ATOM 1015 HN GLN 62 9.057 -32.578 -6.120 1.00 37.59 ATOM 1016 CA GLN 62 9.818 -34.438 -6.806 1.00 12.32 ATOM 1017 HA GLN 62 9.773 -34.906 -7.781 1.00 65.13 ATOM 1018 CB GLN 62 11.285 -34.389 -6.349 1.00 41.11 ATOM 1019 HB1 GLN 62 11.836 -33.755 -7.031 1.00 37.59 ATOM 1020 HB2 GLN 62 11.696 -35.388 -6.393 1.00 1.32 ATOM 1021 CG GLN 62 11.485 -33.854 -4.935 1.00 43.32 ATOM 1022 HG1 GLN 62 10.907 -34.456 -4.248 1.00 37.59 ATOM 1023 HG2 GLN 62 11.133 -32.832 -4.895 1.00 2.25 ATOM 1024 CD GLN 62 12.940 -33.883 -4.500 1.00 44.22 ATOM 1025 OE1 GLN 62 13.684 -32.929 -4.698 1.00 45.21 ATOM 1026 NE2 GLN 62 13.365 -34.985 -3.912 1.00 3.32 ATOM 1027 HE21 GLN 62 12.731 -35.721 -3.788 1.00 73.24 ATOM 1028 HE22 GLN 62 14.298 -35.020 -3.622 1.00 22.42 ATOM 1029 C GLN 62 8.990 -35.285 -5.829 1.00 72.45 ATOM 1030 O GLN 62 8.225 -34.759 -5.017 1.00 11.54 ATOM 1031 N VAL 63 9.139 -36.598 -5.921 1.00 4.21 ATOM 1032 HN VAL 63 9.740 -36.961 -6.607 1.00 37.59 ATOM 1033 CA VAL 63 8.425 -37.519 -5.036 1.00 30.10 ATOM 1034 HA VAL 63 7.373 -37.271 -5.088 1.00 34.35 ATOM 1035 CB VAL 63 8.594 -38.990 -5.505 1.00 23.51 ATOM 1036 HB VAL 63 8.151 -39.081 -6.489 1.00 23.03 ATOM 1037 CG1 VAL 63 10.070 -39.366 -5.619 1.00 43.01 ATOM 1038 HG11 VAL 63 10.159 -40.385 -5.969 1.00 33.03 ATOM 1039 HG12 VAL 63 10.542 -39.278 -4.651 1.00 13.03 ATOM 1040 HG13 VAL 63 10.559 -38.702 -6.318 1.00 73.00 ATOM 1041 CG2 VAL 63 7.861 -39.946 -4.565 1.00 20.15 ATOM 1042 HG21 VAL 63 6.809 -39.700 -4.548 1.00 51.52 ATOM 1043 HG22 VAL 63 8.268 -39.858 -3.568 1.00 31.43 ATOM 1044 HG23 VAL 63 7.986 -40.961 -4.915 1.00 12.54 ATOM 1045 C VAL 63 8.892 -37.385 -3.576 1.00 22.32 ATOM 1046 O VAL 63 10.096 -37.382 -3.289 1.00 3.32 ATOM 1047 N LEU 64 7.936 -37.264 -2.653 1.00 14.44 ATOM 1048 HN LEU 64 6.999 -37.217 -2.937 1.00 37.59 ATOM 1049 CA LEU 64 8.253 -37.196 -1.227 1.00 14.10 ATOM 1050 HA LEU 64 9.031 -36.454 -1.098 1.00 64.11 ATOM 1051 CB LEU 64 7.020 -36.771 -0.416 1.00 21.00 ATOM 1052 HB1 LEU 64 6.243 -37.506 -0.573 1.00 37.59 ATOM 1053 HB2 LEU 64 6.673 -35.821 -0.799 1.00 52.41 ATOM 1054 CG LEU 64 7.243 -36.627 1.102 1.00 34.52 ATOM 1055 HG LEU 64 7.590 -37.574 1.496 1.00 3.42 ATOM 1056 CD1 LEU 64 8.313 -35.579 1.400 1.00 63.13 ATOM 1057 HD11 LEU 64 8.012 -34.626 0.989 1.00 71.31 ATOM 1058 HD12 LEU 64 9.250 -35.882 0.954 1.00 54.45 ATOM 1059 HD13 LEU 64 8.440 -35.487 2.469 1.00 51.00 ATOM 1060 CD2 LEU 64 5.934 -36.278 1.810 1.00 20.10 ATOM 1061 HD21 LEU 64 6.113 -36.184 2.871 1.00 4.33 ATOM 1062 HD22 LEU 64 5.209 -37.059 1.636 1.00 43.21 ATOM 1063 HD23 LEU 64 5.553 -35.342 1.425 1.00 11.25 ATOM 1064 C LEU 64 8.771 -38.551 -0.729 1.00 74.14 ATOM 1065 O LEU 64 8.029 -39.533 -0.665 1.00 61.32 ATOM 1066 N ASP 65 10.055 -38.592 -0.393 1.00 64.34 ATOM 1067 HN ASP 65 10.585 -37.771 -0.451 1.00 37.59 ATOM 1068 CA ASP 65 10.705 -39.823 0.048 1.00 13.12 ATOM 1069 HA ASP 65 10.549 -40.567 -0.721 1.00 10.22 ATOM 1070 CB ASP 65 12.213 -39.579 0.207 1.00 4.51 ATOM 1071 HB1 ASP 65 12.473 -39.597 1.254 1.00 37.59 ATOM 1072 HB2 ASP 65 12.464 -38.608 -0.198 1.00 61.32 ATOM 1073 CG ASP 65 13.038 -40.627 -0.503 1.00 65.32 ATOM 1074 OD1 ASP 65 13.056 -41.787 -0.035 1.00 23.41 ATOM 1075 OD2 ASP 65 13.659 -40.299 -1.534 1.00 63.33 ATOM 1076 C ASP 65 10.096 -40.343 1.364 1.00 10.31 ATOM 1077 O ASP 65 10.581 -40.023 2.448 1.00 11.25 ATOM 1078 N LEU 66 9.022 -41.129 1.257 1.00 63.00 ATOM 1079 HN LEU 66 8.666 -41.320 0.363 1.00 37.59 ATOM 1080 CA LEU 66 8.332 -41.683 2.434 1.00 23.21 ATOM 1081 HA LEU 66 7.942 -40.850 3.002 1.00 44.24 ATOM 1082 CB LEU 66 7.155 -42.570 1.996 1.00 14.34 ATOM 1083 HB1 LEU 66 6.697 -42.986 2.883 1.00 37.59 ATOM 1084 HB2 LEU 66 7.547 -43.384 1.401 1.00 31.23 ATOM 1085 CG LEU 66 6.058 -41.858 1.179 1.00 45.13 ATOM 1086 HG LEU 66 6.499 -41.455 0.277 1.00 24.10 ATOM 1087 CD1 LEU 66 4.969 -42.846 0.762 1.00 73.42 ATOM 1088 HD11 LEU 66 5.407 -43.636 0.168 1.00 22.32 ATOM 1089 HD12 LEU 66 4.222 -42.332 0.175 1.00 13.44 ATOM 1090 HD13 LEU 66 4.505 -43.271 1.641 1.00 23.00 ATOM 1091 CD2 LEU 66 5.462 -40.694 1.973 1.00 40.21 ATOM 1092 HD21 LEU 66 6.233 -39.964 2.174 1.00 32.21 ATOM 1093 HD22 LEU 66 5.062 -41.060 2.909 1.00 54.15 ATOM 1094 HD23 LEU 66 4.670 -40.231 1.401 1.00 42.22 ATOM 1095 C LEU 66 9.284 -42.485 3.340 1.00 72.13 ATOM 1096 O LEU 66 9.227 -42.379 4.567 1.00 2.45 ATOM 1097 N PHE 67 10.163 -43.279 2.729 1.00 10.15 ATOM 1098 HN PHE 67 10.158 -43.328 1.753 1.00 37.59 ATOM 1099 CA PHE 67 11.137 -44.081 3.481 1.00 43.10 ATOM 1100 HA PHE 67 10.587 -44.726 4.154 1.00 62.33 ATOM 1101 CB PHE 67 11.952 -44.954 2.511 1.00 41.52 ATOM 1102 HB1 PHE 67 12.413 -44.316 1.768 1.00 37.59 ATOM 1103 HB2 PHE 67 11.286 -45.644 2.014 1.00 53.13 ATOM 1104 CG PHE 67 13.042 -45.763 3.173 1.00 23.30 ATOM 1105 CD1 PHE 67 12.739 -46.925 3.869 1.00 64.43 ATOM 1106 HD1 PHE 67 11.711 -47.251 3.936 1.00 2.54 ATOM 1107 CD2 PHE 67 14.370 -45.362 3.098 1.00 41.22 ATOM 1108 HD2 PHE 67 14.622 -44.460 2.557 1.00 3.33 ATOM 1109 CE1 PHE 67 13.734 -47.667 4.476 1.00 24.41 ATOM 1110 HE1 PHE 67 13.484 -48.569 5.015 1.00 14.03 ATOM 1111 CE2 PHE 67 15.367 -46.101 3.702 1.00 31.45 ATOM 1112 HE2 PHE 67 16.396 -45.777 3.636 1.00 22.33 ATOM 1113 CZ PHE 67 15.048 -47.254 4.393 1.00 74.10 ATOM 1114 HZ PHE 67 15.827 -47.833 4.868 1.00 45.04 ATOM 1115 C PHE 67 12.075 -43.185 4.311 1.00 32.13 ATOM 1116 O PHE 67 12.235 -43.380 5.520 1.00 4.43 ATOM 1117 N MET 68 12.667 -42.184 3.662 1.00 13.34 ATOM 1118 HN MET 68 12.495 -42.067 2.703 1.00 37.59 ATOM 1119 CA MET 68 13.567 -41.249 4.346 1.00 60.34 ATOM 1120 HA MET 68 14.287 -41.832 4.905 1.00 42.44 ATOM 1121 CB MET 68 14.315 -40.379 3.330 1.00 52.23 ATOM 1122 HB1 MET 68 14.956 -39.692 3.864 1.00 37.59 ATOM 1123 HB2 MET 68 13.593 -39.811 2.760 1.00 2.21 ATOM 1124 CG MET 68 15.172 -41.168 2.352 1.00 31.21 ATOM 1125 HG1 MET 68 15.649 -40.473 1.673 1.00 37.59 ATOM 1126 HG2 MET 68 14.528 -41.828 1.791 1.00 55.22 ATOM 1127 SD MET 68 16.449 -42.157 3.161 1.00 72.24 ATOM 1128 CE MET 68 17.388 -40.882 4.002 1.00 1.12 ATOM 1129 HE1 MET 68 16.751 -40.375 4.711 1.00 30.30 ATOM 1130 HE2 MET 68 17.760 -40.170 3.279 1.00 14.21 ATOM 1131 HE3 MET 68 18.218 -41.334 4.524 1.00 5.43 ATOM 1132 C MET 68 12.795 -40.356 5.325 1.00 2.03 ATOM 1133 O MET 68 13.324 -39.951 6.355 1.00 23.45 ATOM 1134 N LEU 69 11.540 -40.060 4.996 1.00 51.32 ATOM 1135 HN LEU 69 11.178 -40.405 4.155 1.00 37.59 ATOM 1136 CA LEU 69 10.683 -39.235 5.852 1.00 10.51 ATOM 1137 HA LEU 69 11.166 -38.276 5.976 1.00 74.41 ATOM 1138 CB LEU 69 9.314 -39.026 5.186 1.00 13.11 ATOM 1139 HB1 LEU 69 8.795 -39.975 5.173 1.00 37.59 ATOM 1140 HB2 LEU 69 9.479 -38.715 4.163 1.00 72.40 ATOM 1141 CG LEU 69 8.403 -37.991 5.864 1.00 34.20 ATOM 1142 HG LEU 69 8.247 -38.281 6.893 1.00 23.32 ATOM 1143 CD1 LEU 69 9.063 -36.615 5.864 1.00 52.51 ATOM 1144 HD11 LEU 69 10.013 -36.672 6.377 1.00 13.05 ATOM 1145 HD12 LEU 69 8.425 -35.907 6.372 1.00 72.30 ATOM 1146 HD13 LEU 69 9.224 -36.288 4.845 1.00 70.14 ATOM 1147 CD2 LEU 69 7.039 -37.939 5.176 1.00 64.01 ATOM 1148 HD21 LEU 69 6.582 -38.918 5.210 1.00 24.20 ATOM 1149 HD22 LEU 69 7.161 -37.634 4.145 1.00 20.34 ATOM 1150 HD23 LEU 69 6.404 -37.231 5.687 1.00 44.45 ATOM 1151 C LEU 69 10.512 -39.884 7.234 1.00 11.13 ATOM 1152 O LEU 69 10.716 -39.242 8.265 1.00 14.32 ATOM 1153 N TYR 70 10.152 -41.168 7.241 1.00 72.21 ATOM 1154 HN TYR 70 9.953 -41.610 6.388 1.00 37.59 ATOM 1155 CA TYR 70 10.041 -41.937 8.485 1.00 73.23 ATOM 1156 HA TYR 70 9.267 -41.480 9.089 1.00 5.53 ATOM 1157 CB TYR 70 9.637 -43.383 8.165 1.00 21.15 ATOM 1158 HB1 TYR 70 10.366 -43.811 7.489 1.00 37.59 ATOM 1159 HB2 TYR 70 8.672 -43.377 7.680 1.00 73.30 ATOM 1160 CG TYR 70 9.536 -44.290 9.382 1.00 60.35 ATOM 1161 CD1 TYR 70 8.420 -44.253 10.212 1.00 0.32 ATOM 1162 HD1 TYR 70 7.618 -43.565 9.986 1.00 22.45 ATOM 1163 CD2 TYR 70 10.555 -45.188 9.695 1.00 1.24 ATOM 1164 HD2 TYR 70 11.430 -45.231 9.062 1.00 10.33 ATOM 1165 CE1 TYR 70 8.324 -45.080 11.316 1.00 55.31 ATOM 1166 HE1 TYR 70 7.448 -45.036 11.949 1.00 34.42 ATOM 1167 CE2 TYR 70 10.463 -46.016 10.796 1.00 22.10 ATOM 1168 HE2 TYR 70 11.264 -46.704 11.021 1.00 62.42 ATOM 1169 CZ TYR 70 9.348 -45.959 11.602 1.00 23.20 ATOM 1170 OH TYR 70 9.258 -46.784 12.702 1.00 51.14 ATOM 1171 HH TYR 70 8.362 -47.136 12.764 1.00 62.22 ATOM 1172 C TYR 70 11.365 -41.912 9.270 1.00 62.33 ATOM 1173 O TYR 70 11.379 -41.720 10.486 1.00 50.04 ATOM 1174 N VAL 71 12.477 -42.106 8.563 1.00 22.31 ATOM 1175 HN VAL 71 12.404 -42.297 7.600 1.00 37.59 ATOM 1176 CA VAL 71 13.807 -42.055 9.183 1.00 43.44 ATOM 1177 HA VAL 71 13.840 -42.815 9.954 1.00 13.33 ATOM 1178 CB VAL 71 14.917 -42.369 8.146 1.00 54.24 ATOM 1179 HB VAL 71 14.870 -41.622 7.366 1.00 63.41 ATOM 1180 CG1 VAL 71 16.303 -42.299 8.786 1.00 21.23 ATOM 1181 HG11 VAL 71 17.055 -42.555 8.053 1.00 24.02 ATOM 1182 HG12 VAL 71 16.357 -42.995 9.612 1.00 51.23 ATOM 1183 HG13 VAL 71 16.482 -41.297 9.150 1.00 23.25 ATOM 1184 CG2 VAL 71 14.683 -43.738 7.506 1.00 51.40 ATOM 1185 HG21 VAL 71 13.717 -43.749 7.023 1.00 31.22 ATOM 1186 HG22 VAL 71 14.713 -44.504 8.268 1.00 43.54 ATOM 1187 HG23 VAL 71 15.453 -43.931 6.772 1.00 33.54 ATOM 1188 C VAL 71 14.083 -40.682 9.828 1.00 72.04 ATOM 1189 O VAL 71 14.525 -40.601 10.976 1.00 42.34 ATOM 1190 N LEU 72 13.800 -39.612 9.085 1.00 43.11 ATOM 1191 HN LEU 72 13.425 -39.746 8.191 1.00 37.59 ATOM 1192 CA LEU 72 14.026 -38.239 9.557 1.00 33.11 ATOM 1193 HA LEU 72 15.060 -38.173 9.865 1.00 63.04 ATOM 1194 CB LEU 72 13.793 -37.232 8.411 1.00 41.21 ATOM 1195 HB1 LEU 72 13.402 -36.318 8.834 1.00 37.59 ATOM 1196 HB2 LEU 72 13.044 -37.644 7.748 1.00 62.22 ATOM 1197 CG LEU 72 15.035 -36.873 7.568 1.00 21.54 ATOM 1198 HG LEU 72 14.729 -36.240 6.746 1.00 72.20 ATOM 1199 CD1 LEU 72 16.040 -36.089 8.405 1.00 12.15 ATOM 1200 HD11 LEU 72 15.579 -35.181 8.765 1.00 42.03 ATOM 1201 HD12 LEU 72 16.897 -35.837 7.797 1.00 10.22 ATOM 1202 HD13 LEU 72 16.359 -36.689 9.245 1.00 0.32 ATOM 1203 CD2 LEU 72 15.691 -38.121 6.982 1.00 21.24 ATOM 1204 HD21 LEU 72 14.989 -38.627 6.335 1.00 21.51 ATOM 1205 HD22 LEU 72 15.987 -38.785 7.781 1.00 54.31 ATOM 1206 HD23 LEU 72 16.562 -37.836 6.410 1.00 0.41 ATOM 1207 C LEU 72 13.140 -37.884 10.764 1.00 21.51 ATOM 1208 O LEU 72 13.581 -37.197 11.682 1.00 32.05 ATOM 1209 N VAL 73 11.893 -38.344 10.762 1.00 71.12 ATOM 1210 HN VAL 73 11.582 -38.881 10.002 1.00 37.59 ATOM 1211 CA VAL 73 10.968 -38.058 11.865 1.00 54.41 ATOM 1212 HA VAL 73 11.052 -37.003 12.095 1.00 52.14 ATOM 1213 CB VAL 73 9.502 -38.342 11.452 1.00 30.51 ATOM 1214 HB VAL 73 9.432 -39.373 11.137 1.00 44.53 ATOM 1215 CG1 VAL 73 8.550 -38.139 12.629 1.00 10.11 ATOM 1216 HG11 VAL 73 8.819 -38.810 13.433 1.00 3.21 ATOM 1217 HG12 VAL 73 7.537 -38.347 12.314 1.00 64.40 ATOM 1218 HG13 VAL 73 8.613 -37.118 12.977 1.00 55.50 ATOM 1219 CG2 VAL 73 9.099 -37.454 10.274 1.00 51.24 ATOM 1220 HG21 VAL 73 9.748 -37.654 9.433 1.00 2.32 ATOM 1221 HG22 VAL 73 9.188 -36.414 10.555 1.00 33.53 ATOM 1222 HG23 VAL 73 8.076 -37.665 9.995 1.00 11.54 ATOM 1223 C VAL 73 11.321 -38.863 13.132 1.00 50.40 ATOM 1224 O VAL 73 11.347 -38.319 14.242 1.00 11.55 ATOM 1225 N THR 74 11.608 -40.156 12.965 1.00 4.45 ATOM 1226 HN THR 74 11.573 -40.539 12.063 1.00 37.59 ATOM 1227 CA THR 74 11.968 -41.024 14.101 1.00 52.40 ATOM 1228 HA THR 74 11.166 -40.960 14.824 1.00 10.23 ATOM 1229 CB THR 74 12.120 -42.509 13.689 1.00 64.01 ATOM 1230 HB THR 74 12.417 -43.077 14.560 1.00 25.42 ATOM 1231 OG1 THR 74 13.138 -42.647 12.684 1.00 55.44 ATOM 1232 HG1 THR 74 12.742 -42.542 11.812 1.00 53.20 ATOM 1233 CG2 THR 74 10.803 -43.078 13.170 1.00 24.40 ATOM 1234 HG21 THR 74 10.052 -43.014 13.944 1.00 23.31 ATOM 1235 HG22 THR 74 10.942 -44.113 12.890 1.00 54.03 ATOM 1236 HG23 THR 74 10.479 -42.513 12.308 1.00 12.33 ATOM 1237 C THR 74 13.269 -40.573 14.779 1.00 54.55 ATOM 1238 O THR 74 13.358 -40.564 16.007 1.00 1.41 ATOM 1239 N GLU 75 14.272 -40.185 13.983 1.00 3.12 ATOM 1240 HN GLU 75 14.151 -40.217 13.008 1.00 37.59 ATOM 1241 CA GLU 75 15.560 -39.734 14.538 1.00 50.22 ATOM 1242 HA GLU 75 15.927 -40.522 15.182 1.00 61.11 ATOM 1243 CB GLU 75 16.597 -39.493 13.425 1.00 11.21 ATOM 1244 HB1 GLU 75 16.669 -40.388 12.822 1.00 37.59 ATOM 1245 HB2 GLU 75 17.558 -39.303 13.882 1.00 54.54 ATOM 1246 CG GLU 75 16.271 -38.322 12.502 1.00 4.32 ATOM 1247 HG1 GLU 75 16.074 -37.448 13.109 1.00 37.59 ATOM 1248 HG2 GLU 75 15.386 -38.566 11.933 1.00 33.12 ATOM 1249 CD GLU 75 17.399 -37.997 11.531 1.00 52.40 ATOM 1250 OE1 GLU 75 17.601 -38.760 10.565 1.00 13.10 ATOM 1251 OE2 GLU 75 18.096 -36.977 11.739 1.00 34.01 ATOM 1252 C GLU 75 15.404 -38.458 15.385 1.00 1.45 ATOM 1253 O GLU 75 16.319 -38.072 16.116 1.00 24.12 ATOM 1254 N LYS 76 14.251 -37.796 15.273 1.00 21.13 ATOM 1255 HN LYS 76 13.581 -38.111 14.630 1.00 37.59 ATOM 1256 CA LYS 76 13.965 -36.606 16.082 1.00 31.02 ATOM 1257 HA LYS 76 14.911 -36.176 16.384 1.00 4.41 ATOM 1258 CB LYS 76 13.190 -35.565 15.260 1.00 75.32 ATOM 1259 HB1 LYS 76 13.064 -34.674 15.859 1.00 37.59 ATOM 1260 HB2 LYS 76 12.215 -35.966 15.020 1.00 55.42 ATOM 1261 CG LYS 76 13.878 -35.170 13.953 1.00 42.55 ATOM 1262 HG1 LYS 76 13.327 -34.356 13.500 1.00 37.59 ATOM 1263 HG2 LYS 76 13.873 -36.021 13.289 1.00 55.21 ATOM 1264 CD LYS 76 15.323 -34.730 14.175 1.00 2.15 ATOM 1265 HD1 LYS 76 15.866 -35.536 14.650 1.00 37.59 ATOM 1266 HD2 LYS 76 15.330 -33.863 14.819 1.00 11.52 ATOM 1267 CE LYS 76 16.017 -34.373 12.866 1.00 45.03 ATOM 1268 HE1 LYS 76 15.547 -33.495 12.447 1.00 37.59 ATOM 1269 HE2 LYS 76 15.912 -35.200 12.177 1.00 41.22 ATOM 1270 NZ LYS 76 17.464 -34.097 13.069 1.00 61.44 ATOM 1271 HZ1 LYS 76 17.896 -33.762 12.182 1.00 10.43 ATOM 1272 HZ2 LYS 76 17.955 -34.964 13.370 1.00 33.54 ATOM 1273 HZ3 LYS 76 17.593 -33.369 13.800 1.00 52.40 ATOM 1274 C LYS 76 13.170 -36.973 17.346 1.00 10.03 ATOM 1275 O LYS 76 13.202 -36.243 18.338 1.00 21.33 ATOM 1276 N GLY 77 12.466 -38.110 17.306 1.00 64.10 ATOM 1277 HN GLY 77 12.494 -38.658 16.494 1.00 37.59 ATOM 1278 CA GLY 77 11.681 -38.559 18.460 1.00 74.11 ATOM 1279 HA1 GLY 77 11.604 -37.745 19.168 1.00 37.59 ATOM 1280 HA2 GLY 77 12.204 -39.375 18.933 1.00 10.12 ATOM 1281 C GLY 77 10.270 -39.031 18.105 1.00 51.21 ATOM 1282 O GLY 77 9.617 -39.704 18.904 1.00 10.51 ATOM 1283 N GLY 78 9.794 -38.677 16.913 1.00 32.13 ATOM 1284 HN GLY 78 10.365 -38.166 16.304 1.00 37.59 ATOM 1285 CA GLY 78 8.436 -39.042 16.500 1.00 23.52 ATOM 1286 HA1 GLY 78 7.911 -39.478 17.340 1.00 37.59 ATOM 1287 HA2 GLY 78 8.502 -39.777 15.712 1.00 51.44 ATOM 1288 C GLY 78 7.636 -37.847 15.988 1.00 31.44 ATOM 1289 O GLY 78 8.035 -36.697 16.189 1.00 13.23 ATOM 1290 N LEU 79 6.501 -38.114 15.333 1.00 33.03 ATOM 1291 HN LEU 79 6.209 -39.055 15.245 1.00 37.59 ATOM 1292 CA LEU 79 5.684 -37.054 14.718 1.00 33.23 ATOM 1293 HA LEU 79 6.249 -36.662 13.883 1.00 13.02 ATOM 1294 CB LEU 79 4.361 -37.626 14.181 1.00 42.21 ATOM 1295 HB1 LEU 79 3.845 -38.109 14.999 1.00 37.59 ATOM 1296 HB2 LEU 79 4.595 -38.375 13.436 1.00 21.14 ATOM 1297 CG LEU 79 3.404 -36.594 13.549 1.00 41.32 ATOM 1298 HG LEU 79 3.117 -35.873 14.304 1.00 31.24 ATOM 1299 CD1 LEU 79 4.089 -35.830 12.418 1.00 15.13 ATOM 1300 HD11 LEU 79 4.959 -35.317 12.805 1.00 34.13 ATOM 1301 HD12 LEU 79 3.403 -35.107 12.003 1.00 45.01 ATOM 1302 HD13 LEU 79 4.393 -36.521 11.646 1.00 40.20 ATOM 1303 CD2 LEU 79 2.133 -37.274 13.045 1.00 43.33 ATOM 1304 HD21 LEU 79 2.392 -38.039 12.326 1.00 43.50 ATOM 1305 HD22 LEU 79 1.492 -36.542 12.574 1.00 42.21 ATOM 1306 HD23 LEU 79 1.611 -37.723 13.877 1.00 20.43 ATOM 1307 C LEU 79 5.391 -35.897 15.689 1.00 15.13 ATOM 1308 O LEU 79 5.700 -34.739 15.396 1.00 50.43 ATOM 1309 N VAL 80 4.798 -36.211 16.840 1.00 61.51 ATOM 1310 HN VAL 80 4.601 -37.155 17.033 1.00 37.59 ATOM 1311 CA VAL 80 4.428 -35.183 17.822 1.00 45.20 ATOM 1312 HA VAL 80 3.717 -34.519 17.347 1.00 61.02 ATOM 1313 CB VAL 80 3.748 -35.800 19.064 1.00 11.41 ATOM 1314 HB VAL 80 4.477 -36.409 19.586 1.00 23.24 ATOM 1315 CG1 VAL 80 3.273 -34.703 20.014 1.00 1.01 ATOM 1316 HG11 VAL 80 2.532 -34.095 19.518 1.00 24.13 ATOM 1317 HG12 VAL 80 4.111 -34.085 20.303 1.00 20.34 ATOM 1318 HG13 VAL 80 2.838 -35.151 20.896 1.00 22.44 ATOM 1319 CG2 VAL 80 2.587 -36.698 18.645 1.00 14.10 ATOM 1320 HG21 VAL 80 2.955 -37.496 18.014 1.00 10.53 ATOM 1321 HG22 VAL 80 1.859 -36.117 18.100 1.00 42.32 ATOM 1322 HG23 VAL 80 2.122 -37.122 19.524 1.00 33.40 ATOM 1323 C VAL 80 5.644 -34.355 18.268 1.00 42.21 ATOM 1324 O VAL 80 5.564 -33.131 18.371 1.00 20.12 ATOM 1325 N GLU 81 6.768 -35.029 18.517 1.00 1.13 ATOM 1326 HN GLU 81 6.762 -36.005 18.446 1.00 37.59 ATOM 1327 CA GLU 81 8.018 -34.346 18.881 1.00 62.42 ATOM 1328 HA GLU 81 7.869 -33.856 19.833 1.00 30.02 ATOM 1329 CB GLU 81 9.164 -35.365 19.008 1.00 21.22 ATOM 1330 HB1 GLU 81 9.308 -35.845 18.050 1.00 37.59 ATOM 1331 HB2 GLU 81 8.881 -36.117 19.733 1.00 12.21 ATOM 1332 CG GLU 81 10.500 -34.761 19.445 1.00 74.02 ATOM 1333 HG1 GLU 81 10.711 -33.900 18.825 1.00 37.59 ATOM 1334 HG2 GLU 81 11.277 -35.499 19.300 1.00 70.33 ATOM 1335 CD GLU 81 10.511 -34.324 20.903 1.00 24.11 ATOM 1336 OE1 GLU 81 10.151 -33.165 21.189 1.00 74.12 ATOM 1337 OE2 GLU 81 10.882 -35.138 21.772 1.00 52.15 ATOM 1338 C GLU 81 8.377 -33.290 17.824 1.00 2.12 ATOM 1339 O GLU 81 8.682 -32.139 18.145 1.00 23.42 ATOM 1340 N VAL 82 8.304 -33.692 16.557 1.00 4.32 ATOM 1341 HN VAL 82 8.044 -34.621 16.369 1.00 37.59 ATOM 1342 CA VAL 82 8.598 -32.795 15.437 1.00 0.51 ATOM 1343 HA VAL 82 9.590 -32.395 15.591 1.00 31.23 ATOM 1344 CB VAL 82 8.590 -33.563 14.087 1.00 61.04 ATOM 1345 HB VAL 82 7.590 -33.942 13.920 1.00 20.02 ATOM 1346 CG1 VAL 82 8.947 -32.637 12.925 1.00 13.32 ATOM 1347 HG11 VAL 82 8.925 -33.194 11.999 1.00 75.33 ATOM 1348 HG12 VAL 82 9.935 -32.231 13.077 1.00 71.13 ATOM 1349 HG13 VAL 82 8.231 -31.829 12.875 1.00 24.04 ATOM 1350 CG2 VAL 82 9.547 -34.755 14.137 1.00 53.35 ATOM 1351 HG21 VAL 82 9.529 -35.274 13.189 1.00 30.50 ATOM 1352 HG22 VAL 82 9.239 -35.433 14.920 1.00 22.14 ATOM 1353 HG23 VAL 82 10.550 -34.406 14.337 1.00 64.12 ATOM 1354 C VAL 82 7.599 -31.623 15.374 1.00 31.21 ATOM 1355 O VAL 82 7.977 -30.488 15.072 1.00 45.42 ATOM 1356 N ILE 83 6.332 -31.902 15.682 1.00 41.42 ATOM 1357 HN ILE 83 6.095 -32.823 15.922 1.00 37.59 ATOM 1358 CA ILE 83 5.280 -30.874 15.670 1.00 24.35 ATOM 1359 HA ILE 83 5.365 -30.330 14.738 1.00 14.13 ATOM 1360 CB ILE 83 3.867 -31.521 15.723 1.00 54.41 ATOM 1361 HB ILE 83 3.788 -32.089 16.639 1.00 33.30 ATOM 1362 CG1 ILE 83 3.669 -32.469 14.529 1.00 54.25 ATOM 1363 HG11 ILE 83 4.430 -33.235 14.558 1.00 37.59 ATOM 1364 HG12 ILE 83 3.768 -31.908 13.611 1.00 4.44 ATOM 1365 CG2 ILE 83 2.775 -30.453 15.735 1.00 54.40 ATOM 1366 HG21 ILE 83 2.838 -29.860 14.833 1.00 43.52 ATOM 1367 HG22 ILE 83 2.905 -29.811 16.595 1.00 24.11 ATOM 1368 HG23 ILE 83 1.805 -30.927 15.787 1.00 11.33 ATOM 1369 CD1 ILE 83 2.318 -33.157 14.507 1.00 72.12 ATOM 1370 HD11 ILE 83 2.193 -33.743 15.406 1.00 34.13 ATOM 1371 HD12 ILE 83 2.261 -33.806 13.645 1.00 22.04 ATOM 1372 HD13 ILE 83 1.534 -32.415 14.449 1.00 72.35 ATOM 1373 C ILE 83 5.442 -29.878 16.838 1.00 64.31 ATOM 1374 O ILE 83 5.168 -28.683 16.694 1.00 1.32 ATOM 1375 N ASN 84 5.892 -30.373 17.990 1.00 0.44 ATOM 1376 HN ASN 84 6.058 -31.337 18.060 1.00 37.59 ATOM 1377 CA ASN 84 6.135 -29.518 19.162 1.00 41.42 ATOM 1378 HA ASN 84 5.312 -28.820 19.236 1.00 23.44 ATOM 1379 CB ASN 84 6.183 -30.368 20.439 1.00 74.22 ATOM 1380 HB1 ASN 84 6.478 -29.742 21.271 1.00 37.59 ATOM 1381 HB2 ASN 84 6.914 -31.154 20.314 1.00 10.11 ATOM 1382 CG ASN 84 4.844 -31.006 20.774 1.00 4.23 ATOM 1383 OD1 ASN 84 3.785 -30.445 20.507 1.00 43.32 ATOM 1384 ND2 ASN 84 4.876 -32.182 21.366 1.00 3.41 ATOM 1385 HD21 ASN 84 5.751 -32.582 21.559 1.00 65.25 ATOM 1386 HD22 ASN 84 4.025 -32.606 21.588 1.00 42.04 ATOM 1387 C ASN 84 7.443 -28.718 19.013 1.00 41.51 ATOM 1388 O ASN 84 7.573 -27.612 19.542 1.00 43.23 ATOM 1389 N LYS 85 8.413 -29.289 18.298 1.00 40.23 ATOM 1390 HN LYS 85 8.273 -30.198 17.953 1.00 37.59 ATOM 1391 CA LYS 85 9.694 -28.614 18.036 1.00 33.33 ATOM 1392 HA LYS 85 9.904 -27.967 18.876 1.00 64.40 ATOM 1393 CB LYS 85 10.818 -29.658 17.921 1.00 51.23 ATOM 1394 HB1 LYS 85 11.697 -29.180 17.508 1.00 37.59 ATOM 1395 HB2 LYS 85 10.495 -30.433 17.241 1.00 32.32 ATOM 1396 CG LYS 85 11.212 -30.324 19.244 1.00 73.14 ATOM 1397 HG1 LYS 85 11.488 -31.352 19.046 1.00 37.59 ATOM 1398 HG2 LYS 85 10.363 -30.307 19.912 1.00 13.12 ATOM 1399 CD LYS 85 12.390 -29.622 19.928 1.00 54.31 ATOM 1400 HD1 LYS 85 13.239 -29.636 19.257 1.00 37.59 ATOM 1401 HD2 LYS 85 12.638 -30.164 20.829 1.00 41.42 ATOM 1402 CE LYS 85 12.076 -28.176 20.298 1.00 11.30 ATOM 1403 HE1 LYS 85 11.296 -28.169 21.046 1.00 37.59 ATOM 1404 HE2 LYS 85 11.729 -27.657 19.416 1.00 54.42 ATOM 1405 NZ LYS 85 13.263 -27.461 20.833 1.00 74.24 ATOM 1406 HZ1 LYS 85 13.024 -26.469 21.031 1.00 14.22 ATOM 1407 HZ2 LYS 85 14.041 -27.486 20.140 1.00 21.44 ATOM 1408 HZ3 LYS 85 13.588 -27.910 21.712 1.00 64.31 ATOM 1409 C LYS 85 9.647 -27.757 16.755 1.00 60.25 ATOM 1410 O LYS 85 10.506 -26.897 16.549 1.00 71.31 ATOM 1411 N LYS 86 8.643 -28.000 15.904 1.00 5.44 ATOM 1412 HN LYS 86 8.001 -28.707 16.126 1.00 37.59 ATOM 1413 CA LYS 86 8.462 -27.254 14.639 1.00 61.43 ATOM 1414 HA LYS 86 7.593 -27.666 14.148 1.00 62.21 ATOM 1415 CB LYS 86 8.208 -25.753 14.904 1.00 3.50 ATOM 1416 HB1 LYS 86 8.269 -25.223 13.962 1.00 37.59 ATOM 1417 HB2 LYS 86 8.987 -25.382 15.556 1.00 32.33 ATOM 1418 CG LYS 86 6.859 -25.423 15.545 1.00 33.25 ATOM 1419 HG1 LYS 86 6.077 -25.912 14.981 1.00 37.59 ATOM 1420 HG2 LYS 86 6.710 -24.353 15.507 1.00 32.43 ATOM 1421 CD LYS 86 6.773 -25.877 17.000 1.00 5.51 ATOM 1422 HD1 LYS 86 7.624 -25.485 17.542 1.00 37.59 ATOM 1423 HD2 LYS 86 6.793 -26.956 17.033 1.00 24.04 ATOM 1424 CE LYS 86 5.495 -25.387 17.669 1.00 14.43 ATOM 1425 HE1 LYS 86 5.446 -25.794 18.670 1.00 37.59 ATOM 1426 HE2 LYS 86 4.646 -25.736 17.098 1.00 42.12 ATOM 1427 NZ LYS 86 5.449 -23.903 17.746 1.00 13.25 ATOM 1428 HZ1 LYS 86 4.553 -23.592 18.171 1.00 71.22 ATOM 1429 HZ2 LYS 86 5.527 -23.492 16.794 1.00 11.32 ATOM 1430 HZ3 LYS 86 6.236 -23.550 18.328 1.00 1.34 ATOM 1431 C LYS 86 9.664 -27.400 13.686 1.00 71.23 ATOM 1432 O LYS 86 9.767 -26.675 12.694 1.00 24.13 ATOM 1433 N LEU 87 10.547 -28.363 13.947 1.00 14.23 ATOM 1434 HN LEU 87 10.347 -29.016 14.649 1.00 37.59 ATOM 1435 CA LEU 87 11.812 -28.461 13.200 1.00 5.43 ATOM 1436 HA LEU 87 12.138 -27.447 13.006 1.00 20.30 ATOM 1437 CB LEU 87 12.902 -29.153 14.053 1.00 45.25 ATOM 1438 HB1 LEU 87 12.819 -28.775 15.063 1.00 37.59 ATOM 1439 HB2 LEU 87 13.865 -28.856 13.666 1.00 0.42 ATOM 1440 CG LEU 87 12.870 -30.696 14.121 1.00 10.23 ATOM 1441 HG LEU 87 12.894 -31.093 13.116 1.00 43.24 ATOM 1442 CD1 LEU 87 14.102 -31.221 14.858 1.00 23.41 ATOM 1443 HD11 LEU 87 14.063 -32.300 14.907 1.00 32.23 ATOM 1444 HD12 LEU 87 14.126 -30.816 15.860 1.00 1.23 ATOM 1445 HD13 LEU 87 14.995 -30.920 14.328 1.00 63.24 ATOM 1446 CD2 LEU 87 11.598 -31.189 14.794 1.00 64.44 ATOM 1447 HD21 LEU 87 10.737 -30.791 14.276 1.00 74.35 ATOM 1448 HD22 LEU 87 11.582 -30.861 15.821 1.00 3.45 ATOM 1449 HD23 LEU 87 11.566 -32.269 14.761 1.00 11.13 ATOM 1450 C LEU 87 11.647 -29.165 11.831 1.00 61.35 ATOM 1451 O LEU 87 12.579 -29.797 11.331 1.00 71.13 ATOM 1452 N TRP 88 10.479 -29.009 11.197 1.00 71.34 ATOM 1453 HN TRP 88 9.752 -28.526 11.645 1.00 37.59 ATOM 1454 CA TRP 88 10.257 -29.544 9.839 1.00 5.43 ATOM 1455 HA TRP 88 10.382 -30.618 9.887 1.00 33.32 ATOM 1456 CB TRP 88 8.830 -29.234 9.358 1.00 71.14 ATOM 1457 HB1 TRP 88 8.748 -29.485 8.308 1.00 37.59 ATOM 1458 HB2 TRP 88 8.638 -28.179 9.482 1.00 42.23 ATOM 1459 CG TRP 88 7.760 -29.989 10.099 1.00 33.00 ATOM 1460 CD1 TRP 88 6.885 -29.489 11.026 1.00 55.00 ATOM 1461 HD1 TRP 88 6.856 -28.456 11.345 1.00 73.31 ATOM 1462 CD2 TRP 88 7.453 -31.384 9.972 1.00 53.35 ATOM 1463 NE1 TRP 88 6.053 -30.484 11.471 1.00 21.51 ATOM 1464 HE1 TRP 88 5.340 -30.374 12.135 1.00 41.22 ATOM 1465 CE2 TRP 88 6.383 -31.656 10.843 1.00 24.22 ATOM 1466 CE3 TRP 88 7.979 -32.430 9.204 1.00 72.31 ATOM 1467 HE3 TRP 88 8.801 -32.265 8.522 1.00 34.42 ATOM 1468 CZ2 TRP 88 5.829 -32.927 10.968 1.00 2.13 ATOM 1469 HZ2 TRP 88 5.005 -33.126 11.637 1.00 44.20 ATOM 1470 CZ3 TRP 88 7.428 -33.692 9.330 1.00 24.03 ATOM 1471 HZ3 TRP 88 7.823 -34.512 8.747 1.00 2.13 ATOM 1472 CH2 TRP 88 6.363 -33.931 10.206 1.00 41.14 ATOM 1473 HH2 TRP 88 5.964 -34.932 10.274 1.00 62.05 ATOM 1474 C TRP 88 11.288 -28.978 8.840 1.00 74.11 ATOM 1475 O TRP 88 11.516 -29.546 7.770 1.00 63.55 ATOM 1476 N ARG 89 11.903 -27.849 9.206 1.00 30.41 ATOM 1477 HN ARG 89 11.599 -27.394 10.018 1.00 37.59 ATOM 1478 CA ARG 89 13.016 -27.266 8.440 1.00 34.33 ATOM 1479 HA ARG 89 12.659 -27.041 7.444 1.00 25.42 ATOM 1480 CB ARG 89 13.478 -25.968 9.121 1.00 43.43 ATOM 1481 HB1 ARG 89 14.352 -25.593 8.605 1.00 37.59 ATOM 1482 HB2 ARG 89 13.747 -26.190 10.146 1.00 1.42 ATOM 1483 CG ARG 89 12.416 -24.868 9.133 1.00 72.03 ATOM 1484 HG1 ARG 89 12.578 -24.233 9.995 1.00 37.59 ATOM 1485 HG2 ARG 89 11.440 -25.324 9.204 1.00 12.32 ATOM 1486 CD ARG 89 12.465 -24.009 7.874 1.00 52.20 ATOM 1487 HD1 ARG 89 11.570 -23.405 7.828 1.00 37.59 ATOM 1488 HD2 ARG 89 12.509 -24.656 7.009 1.00 34.10 ATOM 1489 NE ARG 89 13.632 -23.130 7.872 1.00 34.21 ATOM 1490 HE ARG 89 14.156 -23.078 8.695 1.00 64.41 ATOM 1491 CZ ARG 89 14.002 -22.395 6.863 1.00 35.13 ATOM 1492 NH1 ARG 89 13.383 -22.458 5.730 1.00 25.53 ATOM 1493 HH11 ARG 89 12.612 -23.084 5.616 1.00 53.21 ATOM 1494 HH12 ARG 89 13.679 -21.891 4.972 1.00 52.55 ATOM 1495 NH2 ARG 89 15.016 -21.610 6.984 1.00 31.40 ATOM 1496 HH21 ARG 89 15.512 -21.568 7.850 1.00 63.24 ATOM 1497 HH22 ARG 89 15.308 -21.054 6.214 1.00 44.45 ATOM 1498 C ARG 89 14.189 -28.256 8.341 1.00 22.13 ATOM 1499 O ARG 89 14.851 -28.364 7.309 1.00 23.11 ATOM 1500 N GLU 90 14.426 -28.981 9.433 1.00 61.35 ATOM 1501 HN GLU 90 13.883 -28.821 10.230 1.00 37.59 ATOM 1502 CA GLU 90 15.471 -30.006 9.485 1.00 22.10 ATOM 1503 HA GLU 90 16.382 -29.579 9.088 1.00 44.23 ATOM 1504 CB GLU 90 15.708 -30.441 10.940 1.00 74.10 ATOM 1505 HB1 GLU 90 16.563 -31.104 10.969 1.00 37.59 ATOM 1506 HB2 GLU 90 14.838 -30.982 11.288 1.00 2.12 ATOM 1507 CG GLU 90 15.967 -29.286 11.905 1.00 41.02 ATOM 1508 HG1 GLU 90 16.060 -29.686 12.907 1.00 37.59 ATOM 1509 HG2 GLU 90 15.123 -28.613 11.871 1.00 33.23 ATOM 1510 CD GLU 90 17.227 -28.504 11.576 1.00 73.00 ATOM 1511 OE1 GLU 90 17.120 -27.355 11.109 1.00 5.31 ATOM 1512 OE2 GLU 90 18.336 -29.039 11.793 1.00 23.42 ATOM 1513 C GLU 90 15.079 -31.227 8.639 1.00 0.34 ATOM 1514 O GLU 90 15.918 -31.842 7.982 1.00 22.13 ATOM 1515 N ILE 91 13.791 -31.569 8.667 1.00 31.34 ATOM 1516 HN ILE 91 13.174 -31.040 9.215 1.00 37.59 ATOM 1517 CA ILE 91 13.270 -32.710 7.906 1.00 63.30 ATOM 1518 HA ILE 91 13.837 -33.587 8.193 1.00 64.04 ATOM 1519 CB ILE 91 11.777 -32.968 8.235 1.00 42.40 ATOM 1520 HB ILE 91 11.208 -32.114 7.895 1.00 64.51 ATOM 1521 CG1 ILE 91 11.576 -33.125 9.755 1.00 15.25 ATOM 1522 HG11 ILE 91 10.531 -33.311 9.957 1.00 37.59 ATOM 1523 HG12 ILE 91 11.869 -32.208 10.244 1.00 20.05 ATOM 1524 CG2 ILE 91 11.260 -34.200 7.491 1.00 15.23 ATOM 1525 HG21 ILE 91 10.209 -34.336 7.702 1.00 44.50 ATOM 1526 HG22 ILE 91 11.805 -35.075 7.816 1.00 10.15 ATOM 1527 HG23 ILE 91 11.399 -34.066 6.427 1.00 3.34 ATOM 1528 CD1 ILE 91 12.375 -34.252 10.378 1.00 41.24 ATOM 1529 HD11 ILE 91 12.175 -34.289 11.439 1.00 3.10 ATOM 1530 HD12 ILE 91 13.429 -34.079 10.218 1.00 44.20 ATOM 1531 HD13 ILE 91 12.090 -35.190 9.926 1.00 34.42 ATOM 1532 C ILE 91 13.430 -32.489 6.391 1.00 54.12 ATOM 1533 O ILE 91 14.021 -33.314 5.693 1.00 20.13 ATOM 1534 N THR 92 12.916 -31.361 5.893 1.00 32.05 ATOM 1535 HN THR 92 12.429 -30.757 6.492 1.00 37.59 ATOM 1536 CA THR 92 13.066 -30.995 4.472 1.00 34.02 ATOM 1537 HA THR 92 12.534 -31.727 3.878 1.00 64.21 ATOM 1538 CB THR 92 12.469 -29.595 4.173 1.00 51.24 ATOM 1539 HB THR 92 12.767 -29.300 3.176 1.00 73.33 ATOM 1540 OG1 THR 92 12.980 -28.631 5.106 1.00 72.01 ATOM 1541 HG1 THR 92 12.359 -28.528 5.834 1.00 72.14 ATOM 1542 CG2 THR 92 10.946 -29.612 4.232 1.00 42.03 ATOM 1543 HG21 THR 92 10.625 -29.972 5.199 1.00 54.55 ATOM 1544 HG22 THR 92 10.561 -30.262 3.458 1.00 74.14 ATOM 1545 HG23 THR 92 10.568 -28.612 4.079 1.00 12.34 ATOM 1546 C THR 92 14.539 -30.990 4.053 1.00 41.12 ATOM 1547 O THR 92 14.929 -31.650 3.085 1.00 41.41 ATOM 1548 N LYS 93 15.357 -30.250 4.797 1.00 23.35 ATOM 1549 HN LYS 93 14.977 -29.718 5.533 1.00 37.59 ATOM 1550 CA LYS 93 16.798 -30.187 4.545 1.00 34.53 ATOM 1551 HA LYS 93 16.940 -29.758 3.562 1.00 43.52 ATOM 1552 CB LYS 93 17.471 -29.279 5.586 1.00 32.15 ATOM 1553 HB1 LYS 93 17.393 -29.747 6.558 1.00 37.59 ATOM 1554 HB2 LYS 93 16.945 -28.335 5.612 1.00 32.54 ATOM 1555 CG LYS 93 18.945 -28.998 5.308 1.00 13.31 ATOM 1556 HG1 LYS 93 19.486 -29.934 5.306 1.00 37.59 ATOM 1557 HG2 LYS 93 19.333 -28.359 6.089 1.00 4.23 ATOM 1558 CD LYS 93 19.142 -28.307 3.959 1.00 22.11 ATOM 1559 HD1 LYS 93 18.598 -27.371 3.963 1.00 37.59 ATOM 1560 HD2 LYS 93 18.752 -28.945 3.179 1.00 44.14 ATOM 1561 CE LYS 93 20.611 -28.024 3.667 1.00 53.35 ATOM 1562 HE1 LYS 93 20.995 -27.353 4.422 1.00 37.59 ATOM 1563 HE2 LYS 93 20.688 -27.553 2.697 1.00 51.42 ATOM 1564 NZ LYS 93 21.429 -29.266 3.663 1.00 25.02 ATOM 1565 HZ1 LYS 93 22.414 -29.050 3.405 1.00 2.04 ATOM 1566 HZ2 LYS 93 21.046 -29.949 2.982 1.00 51.34 ATOM 1567 HZ3 LYS 93 21.422 -29.701 4.609 1.00 3.32 ATOM 1568 C LYS 93 17.433 -31.592 4.566 1.00 31.34 ATOM 1569 O LYS 93 18.355 -31.886 3.797 1.00 14.12 ATOM 1570 N GLY 94 16.925 -32.458 5.443 1.00 30.14 ATOM 1571 HN GLY 94 16.215 -32.159 6.051 1.00 37.59 ATOM 1572 CA GLY 94 17.407 -33.833 5.520 1.00 53.51 ATOM 1573 HA1 GLY 94 16.970 -34.306 6.388 1.00 37.59 ATOM 1574 HA2 GLY 94 18.481 -33.821 5.637 1.00 50.02 ATOM 1575 C GLY 94 17.056 -34.659 4.284 1.00 10.43 ATOM 1576 O GLY 94 17.808 -35.554 3.891 1.00 60.34 ATOM 1577 N LEU 95 15.918 -34.352 3.660 1.00 55.42 ATOM 1578 HN LEU 95 15.353 -33.636 4.025 1.00 37.59 ATOM 1579 CA LEU 95 15.482 -35.048 2.443 1.00 10.51 ATOM 1580 HA LEU 95 15.849 -36.065 2.487 1.00 3.32 ATOM 1581 CB LEU 95 13.946 -35.072 2.376 1.00 11.12 ATOM 1582 HB1 LEU 95 13.655 -35.666 1.521 1.00 37.59 ATOM 1583 HB2 LEU 95 13.601 -34.059 2.222 1.00 40.34 ATOM 1584 CG LEU 95 13.237 -35.637 3.617 1.00 64.13 ATOM 1585 HG LEU 95 13.454 -35.000 4.464 1.00 61.41 ATOM 1586 CD1 LEU 95 11.723 -35.642 3.421 1.00 60.32 ATOM 1587 HD11 LEU 95 11.470 -36.249 2.562 1.00 31.12 ATOM 1588 HD12 LEU 95 11.376 -34.631 3.260 1.00 24.13 ATOM 1589 HD13 LEU 95 11.246 -36.048 4.301 1.00 61.22 ATOM 1590 CD2 LEU 95 13.746 -37.037 3.943 1.00 55.12 ATOM 1591 HD21 LEU 95 13.218 -37.422 4.803 1.00 54.35 ATOM 1592 HD22 LEU 95 14.803 -36.993 4.163 1.00 50.32 ATOM 1593 HD23 LEU 95 13.581 -37.690 3.097 1.00 44.14 ATOM 1594 C LEU 95 16.048 -34.368 1.183 1.00 4.13 ATOM 1595 O LEU 95 15.647 -34.684 0.059 1.00 12.34 ATOM 1596 N ASN 96 16.979 -33.426 1.389 1.00 51.11 ATOM 1597 HN ASN 96 17.256 -33.239 2.310 1.00 37.59 ATOM 1598 CA ASN 96 17.603 -32.661 0.298 1.00 55.53 ATOM 1599 HA ASN 96 18.406 -32.086 0.735 1.00 35.31 ATOM 1600 CB ASN 96 18.202 -33.619 -0.752 1.00 4.50 ATOM 1601 HB1 ASN 96 17.398 -34.154 -1.239 1.00 37.59 ATOM 1602 HB2 ASN 96 18.843 -34.330 -0.252 1.00 24.11 ATOM 1603 CG ASN 96 19.020 -32.908 -1.818 1.00 1.12 ATOM 1604 OD1 ASN 96 18.516 -32.562 -2.880 1.00 62.14 ATOM 1605 ND2 ASN 96 20.290 -32.686 -1.543 1.00 21.13 ATOM 1606 HD21 ASN 96 20.637 -32.985 -0.680 1.00 53.44 ATOM 1607 HD22 ASN 96 20.831 -32.223 -2.218 1.00 13.43 ATOM 1608 C ASN 96 16.601 -31.671 -0.336 1.00 22.53 ATOM 1609 O ASN 96 16.869 -31.062 -1.372 1.00 73.11 ATOM 1610 N LEU 97 15.458 -31.485 0.323 1.00 31.42 ATOM 1611 HN LEU 97 15.307 -31.973 1.159 1.00 37.59 ATOM 1612 CA LEU 97 14.427 -30.560 -0.154 1.00 70.51 ATOM 1613 HA LEU 97 14.367 -30.647 -1.229 1.00 31.33 ATOM 1614 CB LEU 97 13.063 -30.923 0.458 1.00 53.21 ATOM 1615 HB1 LEU 97 12.313 -30.287 0.010 1.00 37.59 ATOM 1616 HB2 LEU 97 13.101 -30.710 1.518 1.00 42.43 ATOM 1617 CG LEU 97 12.618 -32.385 0.281 1.00 4.30 ATOM 1618 HG LEU 97 13.317 -33.028 0.798 1.00 75.41 ATOM 1619 CD1 LEU 97 11.237 -32.611 0.898 1.00 65.51 ATOM 1620 HD11 LEU 97 11.266 -32.363 1.949 1.00 23.15 ATOM 1621 HD12 LEU 97 10.953 -33.647 0.783 1.00 43.34 ATOM 1622 HD13 LEU 97 10.511 -31.982 0.402 1.00 1.33 ATOM 1623 CD2 LEU 97 12.625 -32.776 -1.191 1.00 75.52 ATOM 1624 HD21 LEU 97 11.939 -32.146 -1.737 1.00 41.11 ATOM 1625 HD22 LEU 97 12.324 -33.809 -1.291 1.00 54.21 ATOM 1626 HD23 LEU 97 13.621 -32.653 -1.590 1.00 3.41 ATOM 1627 C LEU 97 14.781 -29.109 0.216 1.00 74.43 ATOM 1628 O LEU 97 15.455 -28.866 1.220 1.00 34.30 ATOM 1629 N PRO 98 14.334 -28.119 -0.582 1.00 34.54 ATOM 1630 CA PRO 98 14.550 -26.703 -0.257 1.00 21.41 ATOM 1631 HA PRO 98 15.607 -26.479 -0.175 1.00 14.14 ATOM 1632 CB PRO 98 13.957 -25.951 -1.463 1.00 51.52 ATOM 1633 HB1 PRO 98 14.756 -25.647 -2.125 1.00 37.59 ATOM 1634 HB2 PRO 98 13.419 -25.077 -1.123 1.00 4.21 ATOM 1635 CG PRO 98 13.044 -26.929 -2.132 1.00 41.30 ATOM 1636 HG1 PRO 98 13.025 -26.743 -3.197 1.00 37.59 ATOM 1637 HG2 PRO 98 12.048 -26.842 -1.721 1.00 75.54 ATOM 1638 CD PRO 98 13.604 -28.300 -1.850 1.00 44.35 ATOM 1639 HD1 PRO 98 14.275 -28.606 -2.641 1.00 37.59 ATOM 1640 HD2 PRO 98 12.804 -29.018 -1.733 1.00 61.42 ATOM 1641 C PRO 98 13.849 -26.304 1.054 1.00 31.42 ATOM 1642 O PRO 98 12.630 -26.173 1.106 1.00 22.31 ATOM 1643 N THR 99 14.636 -26.114 2.113 1.00 51.25 ATOM 1644 HN THR 99 15.608 -26.178 1.994 1.00 37.59 ATOM 1645 CA THR 99 14.100 -25.824 3.458 1.00 51.35 ATOM 1646 HA THR 99 13.549 -26.695 3.784 1.00 4.02 ATOM 1647 CB THR 99 15.248 -25.580 4.470 1.00 23.23 ATOM 1648 HB THR 99 15.839 -26.482 4.541 1.00 14.34 ATOM 1649 OG1 THR 99 14.720 -25.273 5.770 1.00 3.43 ATOM 1650 HG1 THR 99 15.424 -25.354 6.425 1.00 21.12 ATOM 1651 CG2 THR 99 16.159 -24.444 4.009 1.00 60.33 ATOM 1652 HG21 THR 99 16.599 -24.699 3.055 1.00 33.14 ATOM 1653 HG22 THR 99 16.942 -24.292 4.737 1.00 54.14 ATOM 1654 HG23 THR 99 15.582 -23.536 3.908 1.00 63.24 ATOM 1655 C THR 99 13.152 -24.610 3.473 1.00 25.32 ATOM 1656 O THR 99 12.350 -24.438 4.394 1.00 71.51 ATOM 1657 N SER 100 13.237 -23.773 2.439 1.00 34.33 ATOM 1658 HN SER 100 13.846 -23.991 1.704 1.00 37.59 ATOM 1659 CA SER 100 12.442 -22.538 2.372 1.00 11.51 ATOM 1660 HA SER 100 12.233 -22.227 3.385 1.00 32.33 ATOM 1661 CB SER 100 13.253 -21.430 1.682 1.00 23.04 ATOM 1662 HB1 SER 100 13.395 -21.684 0.641 1.00 37.59 ATOM 1663 HB2 SER 100 14.215 -21.338 2.164 1.00 74.21 ATOM 1664 OG SER 100 12.586 -20.179 1.761 1.00 63.54 ATOM 1665 HG SER 100 11.678 -20.277 1.436 1.00 43.22 ATOM 1666 C SER 100 11.098 -22.731 1.640 1.00 51.24 ATOM 1667 O SER 100 10.502 -21.762 1.169 1.00 42.23 ATOM 1668 N ILE 101 10.614 -23.972 1.549 1.00 73.22 ATOM 1669 HN ILE 101 11.156 -24.725 1.869 1.00 37.59 ATOM 1670 CA ILE 101 9.286 -24.231 0.965 1.00 24.22 ATOM 1671 HA ILE 101 9.268 -23.779 -0.019 1.00 34.33 ATOM 1672 CB ILE 101 9.002 -25.752 0.805 1.00 72.44 ATOM 1673 HB ILE 101 9.176 -26.226 1.761 1.00 25.31 ATOM 1674 CG1 ILE 101 9.946 -26.376 -0.235 1.00 71.32 ATOM 1675 HG11 ILE 101 10.966 -26.144 0.030 1.00 37.59 ATOM 1676 HG12 ILE 101 9.730 -25.958 -1.208 1.00 75.05 ATOM 1677 CG2 ILE 101 7.540 -26.000 0.415 1.00 75.43 ATOM 1678 HG21 ILE 101 7.321 -25.488 -0.512 1.00 25.24 ATOM 1679 HG22 ILE 101 6.888 -25.627 1.192 1.00 55.04 ATOM 1680 HG23 ILE 101 7.374 -27.060 0.287 1.00 2.31 ATOM 1681 CD1 ILE 101 9.826 -27.884 -0.348 1.00 31.53 ATOM 1682 HD11 ILE 101 10.510 -28.243 -1.103 1.00 24.21 ATOM 1683 HD12 ILE 101 8.816 -28.147 -0.625 1.00 21.14 ATOM 1684 HD13 ILE 101 10.069 -28.338 0.602 1.00 53.14 ATOM 1685 C ILE 101 8.170 -23.596 1.820 1.00 12.40 ATOM 1686 O ILE 101 7.993 -23.945 2.993 1.00 40.32 ATOM 1687 N THR 102 7.427 -22.664 1.222 1.00 44.43 ATOM 1688 HN THR 102 7.626 -22.428 0.294 1.00 37.59 ATOM 1689 CA THR 102 6.329 -21.966 1.909 1.00 25.44 ATOM 1690 HA THR 102 6.764 -21.340 2.678 1.00 70.45 ATOM 1691 CB THR 102 5.542 -21.053 0.934 1.00 30.42 ATOM 1692 HB THR 102 5.084 -21.675 0.177 1.00 43.23 ATOM 1693 OG1 THR 102 6.428 -20.122 0.292 1.00 3.35 ATOM 1694 HG1 THR 102 6.232 -20.100 -0.653 1.00 41.25 ATOM 1695 CG2 THR 102 4.442 -20.280 1.657 1.00 34.44 ATOM 1696 HG21 THR 102 3.915 -19.656 0.950 1.00 31.24 ATOM 1697 HG22 THR 102 4.884 -19.660 2.424 1.00 62.05 ATOM 1698 HG23 THR 102 3.749 -20.974 2.110 1.00 12.12 ATOM 1699 C THR 102 5.343 -22.947 2.565 1.00 70.11 ATOM 1700 O THR 102 4.673 -23.720 1.879 1.00 4.42 ATOM 1701 N SER 103 5.279 -22.916 3.900 1.00 32.21 ATOM 1702 HN SER 103 5.889 -22.324 4.385 1.00 37.59 ATOM 1703 CA SER 103 4.328 -23.741 4.671 1.00 61.21 ATOM 1704 HA SER 103 4.425 -23.453 5.708 1.00 31.02 ATOM 1705 CB SER 103 2.883 -23.461 4.221 1.00 71.43 ATOM 1706 HB1 SER 103 2.197 -24.011 4.850 1.00 37.59 ATOM 1707 HB2 SER 103 2.759 -23.773 3.194 1.00 74.23 ATOM 1708 OG SER 103 2.574 -22.076 4.314 1.00 53.00 ATOM 1709 HG SER 103 2.879 -21.733 5.164 1.00 5.11 ATOM 1710 C SER 103 4.633 -25.247 4.563 1.00 34.52 ATOM 1711 O SER 103 3.741 -26.084 4.732 1.00 65.33 ATOM 1712 N ALA 104 5.898 -25.588 4.307 1.00 44.34 ATOM 1713 HN ALA 104 6.558 -24.880 4.145 1.00 37.59 ATOM 1714 CA ALA 104 6.328 -26.994 4.234 1.00 73.31 ATOM 1715 HA ALA 104 5.866 -27.436 3.362 1.00 70.55 ATOM 1716 CB ALA 104 7.840 -27.072 4.060 1.00 50.51 ATOM 1717 HB1 ALA 104 8.326 -26.709 4.954 1.00 1.12 ATOM 1718 HB2 ALA 104 8.139 -26.464 3.218 1.00 51.11 ATOM 1719 HB3 ALA 104 8.131 -28.097 3.882 1.00 54.51 ATOM 1720 C ALA 104 5.904 -27.789 5.481 1.00 23.14 ATOM 1721 O ALA 104 5.406 -28.911 5.375 1.00 3.44 ATOM 1722 N ALA 105 6.107 -27.188 6.656 1.00 32.21 ATOM 1723 HN ALA 105 6.521 -26.303 6.663 1.00 37.59 ATOM 1724 CA ALA 105 5.731 -27.804 7.936 1.00 53.41 ATOM 1725 HA ALA 105 6.351 -28.678 8.080 1.00 15.54 ATOM 1726 CB ALA 105 6.010 -26.831 9.082 1.00 24.21 ATOM 1727 HB1 ALA 105 5.415 -25.939 8.953 1.00 24.34 ATOM 1728 HB2 ALA 105 7.058 -26.567 9.083 1.00 55.11 ATOM 1729 HB3 ALA 105 5.758 -27.299 10.023 1.00 15.43 ATOM 1730 C ALA 105 4.257 -28.231 7.948 1.00 4.12 ATOM 1731 O ALA 105 3.924 -29.358 8.320 1.00 21.50 ATOM 1732 N PHE 106 3.388 -27.316 7.531 1.00 55.15 ATOM 1733 HN PHE 106 3.727 -26.433 7.268 1.00 37.59 ATOM 1734 CA PHE 106 1.946 -27.568 7.451 1.00 33.41 ATOM 1735 HA PHE 106 1.581 -27.729 8.454 1.00 11.31 ATOM 1736 CB PHE 106 1.254 -26.329 6.861 1.00 63.51 ATOM 1737 HB1 PHE 106 1.659 -26.139 5.875 1.00 37.59 ATOM 1738 HB2 PHE 106 1.462 -25.478 7.492 1.00 15.44 ATOM 1739 CG PHE 106 -0.244 -26.449 6.732 1.00 12.42 ATOM 1740 CD1 PHE 106 -0.831 -26.751 5.510 1.00 50.22 ATOM 1741 HD1 PHE 106 -0.203 -26.912 4.645 1.00 60.41 ATOM 1742 CD2 PHE 106 -1.063 -26.249 7.832 1.00 34.41 ATOM 1743 HD2 PHE 106 -0.615 -26.016 8.790 1.00 41.15 ATOM 1744 CE1 PHE 106 -2.203 -26.849 5.390 1.00 5.43 ATOM 1745 HE1 PHE 106 -2.648 -27.084 4.434 1.00 51.44 ATOM 1746 CE2 PHE 106 -2.437 -26.348 7.717 1.00 23.21 ATOM 1747 HE2 PHE 106 -3.064 -26.190 8.583 1.00 33.34 ATOM 1748 CZ PHE 106 -3.007 -26.648 6.495 1.00 55.14 ATOM 1749 HZ PHE 106 -4.081 -26.724 6.403 1.00 22.15 ATOM 1750 C PHE 106 1.627 -28.810 6.600 1.00 31.21 ATOM 1751 O PHE 106 0.871 -29.690 7.016 1.00 55.44 ATOM 1752 N THR 107 2.217 -28.870 5.410 1.00 14.32 ATOM 1753 HN THR 107 2.840 -28.157 5.155 1.00 37.59 ATOM 1754 CA THR 107 1.962 -29.967 4.465 1.00 54.40 ATOM 1755 HA THR 107 0.890 -30.064 4.357 1.00 24.53 ATOM 1756 CB THR 107 2.556 -29.650 3.070 1.00 42.41 ATOM 1757 HB THR 107 3.628 -29.543 3.167 1.00 63.32 ATOM 1758 OG1 THR 107 2.011 -28.417 2.572 1.00 4.51 ATOM 1759 HG1 THR 107 2.670 -27.717 2.650 1.00 33.34 ATOM 1760 CG2 THR 107 2.264 -30.769 2.073 1.00 70.33 ATOM 1761 HG21 THR 107 1.195 -30.906 1.987 1.00 24.43 ATOM 1762 HG22 THR 107 2.718 -31.688 2.416 1.00 70.33 ATOM 1763 HG23 THR 107 2.671 -30.506 1.108 1.00 11.53 ATOM 1764 C THR 107 2.530 -31.310 4.962 1.00 1.42 ATOM 1765 O THR 107 1.830 -32.328 4.966 1.00 72.04 ATOM 1766 N LEU 108 3.797 -31.307 5.383 1.00 75.03 ATOM 1767 HN LEU 108 4.295 -30.461 5.389 1.00 37.59 ATOM 1768 CA LEU 108 4.466 -32.533 5.850 1.00 50.21 ATOM 1769 HA LEU 108 4.438 -33.248 5.041 1.00 51.23 ATOM 1770 CB LEU 108 5.934 -32.244 6.204 1.00 32.55 ATOM 1771 HB1 LEU 108 6.359 -33.138 6.639 1.00 37.59 ATOM 1772 HB2 LEU 108 5.953 -31.461 6.950 1.00 34.13 ATOM 1773 CG LEU 108 6.829 -31.812 5.030 1.00 25.51 ATOM 1774 HG LEU 108 6.448 -30.888 4.618 1.00 4.51 ATOM 1775 CD1 LEU 108 8.255 -31.555 5.512 1.00 41.31 ATOM 1776 HD11 LEU 108 8.864 -31.229 4.681 1.00 52.25 ATOM 1777 HD12 LEU 108 8.668 -32.464 5.924 1.00 1.44 ATOM 1778 HD13 LEU 108 8.246 -30.788 6.273 1.00 0.04 ATOM 1779 CD2 LEU 108 6.812 -32.864 3.922 1.00 43.34 ATOM 1780 HD21 LEU 108 7.477 -32.561 3.126 1.00 65.23 ATOM 1781 HD22 LEU 108 5.809 -32.962 3.533 1.00 15.20 ATOM 1782 HD23 LEU 108 7.138 -33.815 4.321 1.00 42.21 ATOM 1783 C LEU 108 3.752 -33.144 7.066 1.00 21.23 ATOM 1784 O LEU 108 3.569 -34.362 7.143 1.00 40.32 ATOM 1785 N ARG 109 3.351 -32.288 8.007 1.00 70.14 ATOM 1786 HN ARG 109 3.549 -31.332 7.892 1.00 37.59 ATOM 1787 CA ARG 109 2.633 -32.723 9.212 1.00 73.31 ATOM 1788 HA ARG 109 3.322 -33.293 9.817 1.00 31.14 ATOM 1789 CB ARG 109 2.165 -31.497 10.013 1.00 3.12 ATOM 1790 HB1 ARG 109 1.644 -30.823 9.345 1.00 37.59 ATOM 1791 HB2 ARG 109 3.032 -30.990 10.413 1.00 65.51 ATOM 1792 CG ARG 109 1.230 -31.838 11.173 1.00 52.41 ATOM 1793 HG1 ARG 109 1.773 -32.434 11.894 1.00 37.59 ATOM 1794 HG2 ARG 109 0.395 -32.409 10.792 1.00 53.13 ATOM 1795 CD ARG 109 0.687 -30.591 11.869 1.00 71.40 ATOM 1796 HD1 ARG 109 1.499 -30.102 12.388 1.00 37.59 ATOM 1797 HD2 ARG 109 -0.061 -30.895 12.588 1.00 12.23 ATOM 1798 NE ARG 109 0.081 -29.636 10.934 1.00 34.10 ATOM 1799 HE ARG 109 0.481 -28.745 10.888 1.00 31.31 ATOM 1800 CZ ARG 109 -0.960 -29.880 10.173 1.00 71.45 ATOM 1801 NH1 ARG 109 -1.529 -31.045 10.155 1.00 43.12 ATOM 1802 HH11 ARG 109 -1.185 -31.776 10.728 1.00 22.15 ATOM 1803 HH12 ARG 109 -2.300 -31.210 9.540 1.00 62.40 ATOM 1804 NH2 ARG 109 -1.427 -28.943 9.421 1.00 62.43 ATOM 1805 HH21 ARG 109 -0.997 -28.045 9.422 1.00 11.41 ATOM 1806 HH22 ARG 109 -2.221 -29.122 8.839 1.00 14.43 ATOM 1807 C ARG 109 1.423 -33.612 8.869 1.00 30.35 ATOM 1808 O ARG 109 1.236 -34.682 9.453 1.00 71.44 ATOM 1809 N THR 110 0.607 -33.157 7.922 1.00 73.23 ATOM 1810 HN THR 110 0.824 -32.313 7.473 1.00 37.59 ATOM 1811 CA THR 110 -0.612 -33.879 7.530 1.00 63.32 ATOM 1812 HA THR 110 -1.129 -34.165 8.439 1.00 43.41 ATOM 1813 CB THR 110 -1.564 -32.972 6.707 1.00 70.55 ATOM 1814 HB THR 110 -1.038 -32.630 5.825 1.00 62.02 ATOM 1815 OG1 THR 110 -1.950 -31.827 7.487 1.00 42.43 ATOM 1816 HG1 THR 110 -2.288 -31.140 6.896 1.00 43.45 ATOM 1817 CG2 THR 110 -2.815 -33.729 6.264 1.00 43.32 ATOM 1818 HG21 THR 110 -2.532 -34.555 5.629 1.00 31.03 ATOM 1819 HG22 THR 110 -3.468 -33.063 5.716 1.00 71.02 ATOM 1820 HG23 THR 110 -3.335 -34.106 7.133 1.00 54.11 ATOM 1821 C THR 110 -0.302 -35.151 6.723 1.00 74.24 ATOM 1822 O THR 110 -0.819 -36.226 7.025 1.00 62.22 ATOM 1823 N GLN 111 0.548 -35.035 5.703 1.00 1.33 ATOM 1824 HN GLN 111 0.989 -34.173 5.542 1.00 37.59 ATOM 1825 CA GLN 111 0.846 -36.175 4.820 1.00 52.35 ATOM 1826 HA GLN 111 -0.097 -36.521 4.420 1.00 14.42 ATOM 1827 CB GLN 111 1.731 -35.731 3.649 1.00 33.34 ATOM 1828 HB1 GLN 111 1.949 -36.589 3.030 1.00 37.59 ATOM 1829 HB2 GLN 111 2.658 -35.336 4.042 1.00 21.31 ATOM 1830 CG GLN 111 1.085 -34.661 2.774 1.00 61.35 ATOM 1831 HG1 GLN 111 1.752 -34.437 1.952 1.00 37.59 ATOM 1832 HG2 GLN 111 0.940 -33.769 3.367 1.00 43.01 ATOM 1833 CD GLN 111 -0.260 -35.086 2.200 1.00 34.21 ATOM 1834 OE1 GLN 111 -0.510 -36.262 1.947 1.00 54.51 ATOM 1835 NE2 GLN 111 -1.147 -34.131 2.007 1.00 12.45 ATOM 1836 HE21 GLN 111 -0.895 -33.215 2.233 1.00 60.42 ATOM 1837 HE22 GLN 111 -2.023 -34.382 1.645 1.00 50.33 ATOM 1838 C GLN 111 1.502 -37.342 5.578 1.00 3.11 ATOM 1839 O GLN 111 1.127 -38.505 5.389 1.00 14.44 ATOM 1840 N TYR 112 2.476 -37.037 6.437 1.00 54.23 ATOM 1841 HN TYR 112 2.783 -36.106 6.503 1.00 37.59 ATOM 1842 CA TYR 112 3.100 -38.062 7.285 1.00 53.10 ATOM 1843 HA TYR 112 3.519 -38.819 6.636 1.00 4.25 ATOM 1844 CB TYR 112 4.226 -37.444 8.129 1.00 74.40 ATOM 1845 HB1 TYR 112 3.807 -36.667 8.755 1.00 37.59 ATOM 1846 HB2 TYR 112 4.956 -37.002 7.467 1.00 55.34 ATOM 1847 CG TYR 112 4.955 -38.432 9.033 1.00 4.40 ATOM 1848 CD1 TYR 112 4.567 -38.621 10.358 1.00 44.05 ATOM 1849 HD1 TYR 112 3.726 -38.062 10.744 1.00 13.02 ATOM 1850 CD2 TYR 112 6.039 -39.165 8.563 1.00 64.20 ATOM 1851 HD2 TYR 112 6.353 -39.038 7.537 1.00 21.24 ATOM 1852 CE1 TYR 112 5.239 -39.506 11.182 1.00 42.22 ATOM 1853 HE1 TYR 112 4.919 -39.637 12.207 1.00 33.45 ATOM 1854 CE2 TYR 112 6.713 -40.054 9.382 1.00 35.32 ATOM 1855 HE2 TYR 112 7.554 -40.612 8.994 1.00 23.25 ATOM 1856 CZ TYR 112 6.311 -40.220 10.689 1.00 14.10 ATOM 1857 OH TYR 112 6.985 -41.101 11.506 1.00 44.34 ATOM 1858 HH TYR 112 6.426 -41.331 12.262 1.00 63.23 ATOM 1859 C TYR 112 2.051 -38.714 8.200 1.00 1.53 ATOM 1860 O TYR 112 2.051 -39.930 8.406 1.00 25.41 ATOM 1861 N MET 113 1.152 -37.887 8.728 1.00 32.21 ATOM 1862 HN MET 113 1.222 -36.928 8.530 1.00 37.59 ATOM 1863 CA MET 113 0.069 -38.351 9.602 1.00 12.20 ATOM 1864 HA MET 113 0.517 -38.864 10.439 1.00 23.21 ATOM 1865 CB MET 113 -0.714 -37.140 10.119 1.00 63.43 ATOM 1866 HB1 MET 113 -1.179 -36.644 9.278 1.00 37.59 ATOM 1867 HB2 MET 113 -0.021 -36.453 10.582 1.00 1.10 ATOM 1868 CG MET 113 -1.801 -37.469 11.134 1.00 54.22 ATOM 1869 HG1 MET 113 -1.355 -37.981 11.975 1.00 37.59 ATOM 1870 HG2 MET 113 -2.534 -38.113 10.668 1.00 63.52 ATOM 1871 SD MET 113 -2.636 -35.986 11.734 1.00 21.35 ATOM 1872 CE MET 113 -1.239 -35.046 12.350 1.00 31.45 ATOM 1873 HE1 MET 113 -0.735 -35.611 13.120 1.00 11.52 ATOM 1874 HE2 MET 113 -1.589 -34.111 12.760 1.00 15.30 ATOM 1875 HE3 MET 113 -0.551 -34.849 11.540 1.00 40.13 ATOM 1876 C MET 113 -0.875 -39.320 8.867 1.00 53.22 ATOM 1877 O MET 113 -1.334 -40.310 9.438 1.00 73.23 ATOM 1878 N LYS 114 -1.158 -39.021 7.601 1.00 63.53 ATOM 1879 HN LYS 114 -0.786 -38.200 7.213 1.00 37.59 ATOM 1880 CA LYS 114 -2.023 -39.871 6.774 1.00 52.02 ATOM 1881 HA LYS 114 -2.972 -39.974 7.280 1.00 74.24 ATOM 1882 CB LYS 114 -2.258 -39.213 5.405 1.00 55.43 ATOM 1883 HB1 LYS 114 -2.786 -39.914 4.770 1.00 37.59 ATOM 1884 HB2 LYS 114 -1.298 -38.994 4.958 1.00 51.51 ATOM 1885 CG LYS 114 -3.060 -37.918 5.453 1.00 23.43 ATOM 1886 HG1 LYS 114 -2.591 -37.240 6.153 1.00 37.59 ATOM 1887 HG2 LYS 114 -4.066 -38.138 5.783 1.00 32.24 ATOM 1888 CD LYS 114 -3.122 -37.247 4.079 1.00 61.52 ATOM 1889 HD1 LYS 114 -2.123 -36.951 3.789 1.00 37.59 ATOM 1890 HD2 LYS 114 -3.750 -36.371 4.145 1.00 54.50 ATOM 1891 CE LYS 114 -3.692 -38.177 3.010 1.00 11.41 ATOM 1892 HE1 LYS 114 -4.698 -38.454 3.290 1.00 37.59 ATOM 1893 HE2 LYS 114 -3.078 -39.064 2.954 1.00 20.12 ATOM 1894 NZ LYS 114 -3.726 -37.534 1.672 1.00 1.12 ATOM 1895 HZ1 LYS 114 -4.047 -38.216 0.956 1.00 1.33 ATOM 1896 HZ2 LYS 114 -2.780 -37.194 1.412 1.00 33.14 ATOM 1897 HZ3 LYS 114 -4.383 -36.726 1.678 1.00 61.20 ATOM 1898 C LYS 114 -1.419 -41.265 6.550 1.00 24.11 ATOM 1899 O LYS 114 -2.075 -42.284 6.777 1.00 54.51 ATOM 1900 N TYR 115 -0.163 -41.304 6.105 1.00 61.44 ATOM 1901 HN TYR 115 0.360 -40.473 6.078 1.00 37.59 ATOM 1902 CA TYR 115 0.448 -42.558 5.647 1.00 42.12 ATOM 1903 HA TYR 115 -0.354 -43.231 5.372 1.00 60.31 ATOM 1904 CB TYR 115 1.306 -42.294 4.399 1.00 25.11 ATOM 1905 HB1 TYR 115 1.712 -43.234 4.048 1.00 37.59 ATOM 1906 HB2 TYR 115 2.122 -41.639 4.667 1.00 20.31 ATOM 1907 CG TYR 115 0.558 -41.651 3.236 1.00 12.10 ATOM 1908 CD1 TYR 115 -0.691 -42.116 2.833 1.00 60.40 ATOM 1909 HD1 TYR 115 -1.148 -42.930 3.373 1.00 1.25 ATOM 1910 CD2 TYR 115 1.120 -40.595 2.522 1.00 70.32 ATOM 1911 HD2 TYR 115 2.089 -40.218 2.817 1.00 32.10 ATOM 1912 CE1 TYR 115 -1.356 -41.549 1.761 1.00 3.02 ATOM 1913 HE1 TYR 115 -2.325 -41.926 1.467 1.00 32.32 ATOM 1914 CE2 TYR 115 0.456 -40.022 1.453 1.00 22.45 ATOM 1915 HE2 TYR 115 0.908 -39.200 0.918 1.00 74.24 ATOM 1916 CZ TYR 115 -0.778 -40.503 1.075 1.00 1.44 ATOM 1917 OH TYR 115 -1.435 -39.946 -0.001 1.00 43.32 ATOM 1918 HH TYR 115 -0.859 -39.973 -0.778 1.00 64.41 ATOM 1919 C TYR 115 1.315 -43.249 6.720 1.00 12.21 ATOM 1920 O TYR 115 1.124 -44.429 7.012 1.00 53.12 ATOM 1921 N LEU 116 2.244 -42.508 7.325 1.00 10.43 ATOM 1922 HN LEU 116 2.204 -41.533 7.246 1.00 37.59 ATOM 1923 CA LEU 116 3.327 -43.125 8.116 1.00 53.10 ATOM 1924 HA LEU 116 3.408 -44.158 7.804 1.00 12.51 ATOM 1925 CB LEU 116 4.656 -42.425 7.795 1.00 0.13 ATOM 1926 HB1 LEU 116 5.435 -42.889 8.383 1.00 37.59 ATOM 1927 HB2 LEU 116 4.573 -41.388 8.096 1.00 32.42 ATOM 1928 CG LEU 116 5.082 -42.465 6.316 1.00 1.04 ATOM 1929 HG LEU 116 4.313 -41.999 5.717 1.00 34.12 ATOM 1930 CD1 LEU 116 6.376 -41.683 6.099 1.00 43.43 ATOM 1931 HD11 LEU 116 7.168 -42.119 6.692 1.00 32.24 ATOM 1932 HD12 LEU 116 6.229 -40.655 6.395 1.00 75.54 ATOM 1933 HD13 LEU 116 6.649 -41.719 5.054 1.00 63.23 ATOM 1934 CD2 LEU 116 5.240 -43.905 5.838 1.00 42.34 ATOM 1935 HD21 LEU 116 5.996 -44.404 6.428 1.00 44.41 ATOM 1936 HD22 LEU 116 5.537 -43.908 4.799 1.00 60.13 ATOM 1937 HD23 LEU 116 4.299 -44.427 5.941 1.00 41.31 ATOM 1938 C LEU 116 3.091 -43.103 9.640 1.00 1.23 ATOM 1939 O LEU 116 3.694 -43.898 10.365 1.00 32.32 ATOM 1940 N TYR 117 2.222 -42.215 10.126 1.00 52.54 ATOM 1941 HN TYR 117 1.688 -41.679 9.504 1.00 37.59 ATOM 1942 CA TYR 117 2.049 -42.028 11.583 1.00 14.22 ATOM 1943 HA TYR 117 2.996 -41.661 11.958 1.00 41.11 ATOM 1944 CB TYR 117 0.976 -40.972 11.899 1.00 13.24 ATOM 1945 HB1 TYR 117 0.081 -41.193 11.335 1.00 37.59 ATOM 1946 HB2 TYR 117 1.343 -39.995 11.613 1.00 55.41 ATOM 1947 CG TYR 117 0.608 -40.919 13.373 1.00 22.22 ATOM 1948 CD1 TYR 117 -0.605 -41.430 13.827 1.00 21.35 ATOM 1949 HD1 TYR 117 -1.300 -41.848 13.114 1.00 2.41 ATOM 1950 CD2 TYR 117 1.486 -40.386 14.312 1.00 51.53 ATOM 1951 HD2 TYR 117 2.432 -39.982 13.978 1.00 31.22 ATOM 1952 CE1 TYR 117 -0.929 -41.411 15.169 1.00 72.11 ATOM 1953 HE1 TYR 117 -1.875 -41.812 15.501 1.00 34.24 ATOM 1954 CE2 TYR 117 1.165 -40.361 15.655 1.00 1.22 ATOM 1955 HE2 TYR 117 1.860 -39.941 16.368 1.00 64.40 ATOM 1956 CZ TYR 117 -0.042 -40.876 16.077 1.00 61.13 ATOM 1957 OH TYR 117 -0.363 -40.864 17.413 1.00 1.33 ATOM 1958 HH TYR 117 -0.533 -41.763 17.703 1.00 0.32 ATOM 1959 C TYR 117 1.730 -43.344 12.335 1.00 3.12 ATOM 1960 O TYR 117 2.460 -43.714 13.256 1.00 62.21 ATOM 1961 N PRO 118 0.652 -44.086 11.971 1.00 52.34 ATOM 1962 CA PRO 118 0.272 -45.308 12.708 1.00 4.33 ATOM 1963 HA PRO 118 -0.036 -45.071 13.718 1.00 41.24 ATOM 1964 CB PRO 118 -0.935 -45.854 11.917 1.00 33.33 ATOM 1965 HB1 PRO 118 -1.852 -45.593 12.429 1.00 37.59 ATOM 1966 HB2 PRO 118 -0.865 -46.930 11.833 1.00 32.10 ATOM 1967 CG PRO 118 -0.854 -45.193 10.581 1.00 52.34 ATOM 1968 HG1 PRO 118 -1.843 -45.097 10.155 1.00 37.59 ATOM 1969 HG2 PRO 118 -0.216 -45.767 9.923 1.00 45.10 ATOM 1970 CD PRO 118 -0.257 -43.835 10.833 1.00 70.15 ATOM 1971 HD1 PRO 118 -1.028 -43.126 11.102 1.00 37.59 ATOM 1972 HD2 PRO 118 0.289 -43.492 9.965 1.00 13.50 ATOM 1973 C PRO 118 1.414 -46.339 12.764 1.00 71.02 ATOM 1974 O PRO 118 1.466 -47.183 13.663 1.00 11.21 ATOM 1975 N TYR 119 2.348 -46.240 11.816 1.00 30.33 ATOM 1976 HN TYR 119 2.286 -45.508 11.166 1.00 37.59 ATOM 1977 CA TYR 119 3.473 -47.174 11.723 1.00 5.13 ATOM 1978 HA TYR 119 3.071 -48.177 11.793 1.00 10.40 ATOM 1979 CB TYR 119 4.175 -47.017 10.362 1.00 32.33 ATOM 1980 HB1 TYR 119 4.731 -46.090 10.361 1.00 37.59 ATOM 1981 HB2 TYR 119 3.425 -46.975 9.584 1.00 41.40 ATOM 1982 CG TYR 119 5.140 -48.143 10.014 1.00 33.23 ATOM 1983 CD1 TYR 119 6.501 -48.038 10.284 1.00 23.15 ATOM 1984 HD1 TYR 119 6.877 -47.143 10.759 1.00 50.45 ATOM 1985 CD2 TYR 119 4.684 -49.309 9.401 1.00 54.45 ATOM 1986 HD2 TYR 119 3.630 -49.411 9.184 1.00 64.34 ATOM 1987 CE1 TYR 119 7.376 -49.057 9.955 1.00 4.43 ATOM 1988 HE1 TYR 119 8.430 -48.955 10.173 1.00 74.04 ATOM 1989 CE2 TYR 119 5.555 -50.333 9.074 1.00 52.55 ATOM 1990 HE2 TYR 119 5.179 -51.229 8.600 1.00 45.43 ATOM 1991 CZ TYR 119 6.900 -50.201 9.351 1.00 40.55 ATOM 1992 OH TYR 119 7.773 -51.216 9.024 1.00 53.50 ATOM 1993 HH TYR 119 8.470 -51.263 9.694 1.00 62.24 ATOM 1994 C TYR 119 4.474 -46.961 12.876 1.00 3.13 ATOM 1995 O TYR 119 4.936 -47.926 13.488 1.00 31.52 ATOM 1996 N GLU 120 4.794 -45.698 13.189 1.00 22.33 ATOM 1997 HN GLU 120 4.384 -44.957 12.690 1.00 37.59 ATOM 1998 CA GLU 120 5.743 -45.402 14.275 1.00 50.32 ATOM 1999 HA GLU 120 6.632 -45.992 14.094 1.00 14.34 ATOM 2000 CB GLU 120 6.142 -43.911 14.305 1.00 33.10 ATOM 2001 HB1 GLU 120 6.470 -43.621 13.316 1.00 37.59 ATOM 2002 HB2 GLU 120 6.967 -43.790 14.993 1.00 4.33 ATOM 2003 CG GLU 120 5.027 -42.961 14.736 1.00 20.32 ATOM 2004 HG1 GLU 120 4.544 -43.366 15.615 1.00 37.59 ATOM 2005 HG2 GLU 120 4.305 -42.885 13.935 1.00 60.04 ATOM 2006 CD GLU 120 5.541 -41.564 15.063 1.00 74.01 ATOM 2007 OE1 GLU 120 5.764 -40.772 14.125 1.00 54.33 ATOM 2008 OE2 GLU 120 5.731 -41.258 16.263 1.00 43.01 ATOM 2009 C GLU 120 5.166 -45.810 15.640 1.00 54.02 ATOM 2010 O GLU 120 5.895 -46.270 16.518 1.00 50.53 ATOM 2011 N CYS 121 3.853 -45.649 15.806 1.00 13.43 ATOM 2012 HN CYS 121 3.321 -45.289 15.062 1.00 37.59 ATOM 2013 CA CYS 121 3.186 -45.969 17.075 1.00 25.35 ATOM 2014 HA CYS 121 3.762 -45.516 17.870 1.00 73.33 ATOM 2015 CB CYS 121 1.770 -45.377 17.100 1.00 22.04 ATOM 2016 HB1 CYS 121 1.307 -45.611 18.049 1.00 37.59 ATOM 2017 HB2 CYS 121 1.189 -45.821 16.307 1.00 43.10 ATOM 2018 SG CYS 121 1.710 -43.581 16.883 1.00 2.11 ATOM 2019 HG CYS 121 2.216 -43.020 17.974 1.00 4.45 ATOM 2020 C CYS 121 3.110 -47.485 17.327 1.00 61.23 ATOM 2021 O CYS 121 3.610 -47.976 18.337 1.00 1.01 ATOM 2022 N GLU 122 2.505 -48.227 16.401 1.00 23.13 ATOM 2023 HN GLU 122 2.208 -47.807 15.564 1.00 37.59 ATOM 2024 CA GLU 122 2.261 -49.663 16.611 1.00 44.21 ATOM 2025 HA GLU 122 1.853 -49.775 17.606 1.00 72.30 ATOM 2026 CB GLU 122 1.223 -50.185 15.603 1.00 34.14 ATOM 2027 HB1 GLU 122 1.656 -50.164 14.613 1.00 37.59 ATOM 2028 HB2 GLU 122 0.362 -49.531 15.621 1.00 10.01 ATOM 2029 CG GLU 122 0.752 -51.610 15.894 1.00 23.12 ATOM 2030 HG1 GLU 122 0.473 -51.674 16.937 1.00 37.59 ATOM 2031 HG2 GLU 122 1.571 -52.290 15.704 1.00 50.43 ATOM 2032 CD GLU 122 -0.440 -52.030 15.046 1.00 52.34 ATOM 2033 OE1 GLU 122 -0.250 -52.763 14.057 1.00 42.22 ATOM 2034 OE2 GLU 122 -1.578 -51.621 15.370 1.00 75.33 ATOM 2035 C GLU 122 3.552 -50.498 16.527 1.00 11.05 ATOM 2036 O GLU 122 3.712 -51.482 17.253 1.00 11.41 ATOM 2037 N LYS 123 4.474 -50.108 15.651 1.00 70.11 ATOM 2038 HN LYS 123 4.315 -49.301 15.115 1.00 37.59 ATOM 2039 CA LYS 123 5.718 -50.868 15.455 1.00 55.51 ATOM 2040 HA LYS 123 5.473 -51.917 15.542 1.00 10.12 ATOM 2041 CB LYS 123 6.269 -50.615 14.045 1.00 65.43 ATOM 2042 HB1 LYS 123 7.224 -51.114 13.950 1.00 37.59 ATOM 2043 HB2 LYS 123 6.418 -49.552 13.918 1.00 75.40 ATOM 2044 CG LYS 123 5.357 -51.109 12.919 1.00 41.12 ATOM 2045 HG1 LYS 123 5.693 -50.677 11.986 1.00 37.59 ATOM 2046 HG2 LYS 123 4.346 -50.784 13.120 1.00 24.34 ATOM 2047 CD LYS 123 5.367 -52.632 12.791 1.00 54.20 ATOM 2048 HD1 LYS 123 5.032 -53.064 13.724 1.00 37.59 ATOM 2049 HD2 LYS 123 6.376 -52.959 12.584 1.00 21.02 ATOM 2050 CE LYS 123 4.453 -53.115 11.665 1.00 43.14 ATOM 2051 HE1 LYS 123 4.647 -52.523 10.781 1.00 37.59 ATOM 2052 HE2 LYS 123 3.424 -52.977 11.966 1.00 15.21 ATOM 2053 NZ LYS 123 4.672 -54.552 11.340 1.00 4.23 ATOM 2054 HZ1 LYS 123 5.636 -54.691 10.968 1.00 71.14 ATOM 2055 HZ2 LYS 123 3.990 -54.867 10.620 1.00 12.02 ATOM 2056 HZ3 LYS 123 4.555 -55.136 12.192 1.00 0.23 ATOM 2057 C LYS 123 6.795 -50.533 16.507 1.00 60.35 ATOM 2058 O LYS 123 7.536 -51.417 16.943 1.00 35.43 ATOM 2059 N ARG 124 6.881 -49.266 16.928 1.00 64.54 ATOM 2060 HN ARG 124 6.225 -48.609 16.615 1.00 37.59 ATOM 2061 CA ARG 124 7.951 -48.843 17.853 1.00 72.13 ATOM 2062 HA ARG 124 8.472 -49.733 18.177 1.00 24.13 ATOM 2063 CB ARG 124 8.954 -47.934 17.109 1.00 64.25 ATOM 2064 HB1 ARG 124 8.602 -46.912 17.157 1.00 37.59 ATOM 2065 HB2 ARG 124 8.993 -48.236 16.071 1.00 1.50 ATOM 2066 CG ARG 124 10.382 -47.977 17.670 1.00 40.04 ATOM 2067 HG1 ARG 124 11.067 -47.655 16.898 1.00 37.59 ATOM 2068 HG2 ARG 124 10.616 -48.994 17.951 1.00 23.14 ATOM 2069 CD ARG 124 10.566 -47.083 18.893 1.00 74.42 ATOM 2070 HD1 ARG 124 9.722 -47.218 19.554 1.00 37.59 ATOM 2071 HD2 ARG 124 10.603 -46.052 18.568 1.00 34.42 ATOM 2072 NE ARG 124 11.793 -47.400 19.625 1.00 51.40 ATOM 2073 HE ARG 124 11.893 -48.315 19.956 1.00 11.12 ATOM 2074 CZ ARG 124 12.731 -46.537 19.914 1.00 3.43 ATOM 2075 NH1 ARG 124 12.723 -45.348 19.407 1.00 13.13 ATOM 2076 HH11 ARG 124 11.999 -45.078 18.776 1.00 11.44 ATOM 2077 HH12 ARG 124 13.444 -44.700 19.650 1.00 32.23 ATOM 2078 NH2 ARG 124 13.713 -46.893 20.675 1.00 63.22 ATOM 2079 HH21 ARG 124 13.752 -47.823 21.035 1.00 53.44 ATOM 2080 HH22 ARG 124 14.425 -46.234 20.911 1.00 45.02 ATOM 2081 C ARG 124 7.392 -48.132 19.106 1.00 45.34 ATOM 2082 O ARG 124 7.906 -48.309 20.213 1.00 11.31 ATOM 2083 N GLY 125 6.343 -47.333 18.930 1.00 0.23 ATOM 2084 HN GLY 125 5.950 -47.252 18.039 1.00 37.59 ATOM 2085 CA GLY 125 5.758 -46.596 20.049 1.00 40.01 ATOM 2086 HA1 GLY 125 5.710 -47.247 20.910 1.00 37.59 ATOM 2087 HA2 GLY 125 4.752 -46.306 19.781 1.00 24.42 ATOM 2088 C GLY 125 6.542 -45.341 20.425 1.00 54.20 ATOM 2089 O GLY 125 7.068 -45.237 21.534 1.00 52.45 ATOM 2090 N LEU 126 6.627 -44.386 19.500 1.00 1.52 ATOM 2091 HN LEU 126 6.208 -44.530 18.627 1.00 37.59 ATOM 2092 CA LEU 126 7.337 -43.125 19.752 1.00 21.12 ATOM 2093 HA LEU 126 8.164 -43.338 20.415 1.00 62.14 ATOM 2094 CB LEU 126 7.891 -42.563 18.438 1.00 55.55 ATOM 2095 HB1 LEU 126 8.234 -41.554 18.617 1.00 37.59 ATOM 2096 HB2 LEU 126 7.084 -42.527 17.719 1.00 62.12 ATOM 2097 CG LEU 126 9.050 -43.359 17.821 1.00 21.25 ATOM 2098 HG LEU 126 8.740 -44.386 17.681 1.00 5.33 ATOM 2099 CD1 LEU 126 9.423 -42.791 16.455 1.00 42.24 ATOM 2100 HD11 LEU 126 8.573 -42.858 15.792 1.00 52.05 ATOM 2101 HD12 LEU 126 10.245 -43.358 16.042 1.00 63.42 ATOM 2102 HD13 LEU 126 9.718 -41.757 16.560 1.00 1.14 ATOM 2103 CD2 LEU 126 10.256 -43.353 18.757 1.00 44.12 ATOM 2104 HD21 LEU 126 11.066 -43.907 18.305 1.00 45.43 ATOM 2105 HD22 LEU 126 9.987 -43.814 19.696 1.00 73.22 ATOM 2106 HD23 LEU 126 10.573 -42.334 18.933 1.00 15.21 ATOM 2107 C LEU 126 6.432 -42.082 20.422 1.00 10.14 ATOM 2108 O LEU 126 6.682 -41.667 21.556 1.00 42.30 ATOM 2109 N SER 127 5.373 -41.671 19.728 1.00 35.21 ATOM 2110 HN SER 127 5.195 -42.061 18.845 1.00 37.59 ATOM 2111 CA SER 127 4.472 -40.633 20.247 1.00 65.41 ATOM 2112 HA SER 127 4.824 -40.356 21.231 1.00 52.23 ATOM 2113 CB SER 127 4.521 -39.394 19.346 1.00 11.23 ATOM 2114 HB1 SER 127 5.540 -39.039 19.286 1.00 37.59 ATOM 2115 HB2 SER 127 3.900 -38.619 19.771 1.00 21.15 ATOM 2116 OG SER 127 4.058 -39.672 18.032 1.00 53.52 ATOM 2117 HG SER 127 4.716 -40.202 17.558 1.00 13.13 ATOM 2118 C SER 127 3.027 -41.137 20.382 1.00 2.55 ATOM 2119 O SER 127 2.612 -42.077 19.697 1.00 72.23 ATOM 2120 N ASN 128 2.267 -40.516 21.289 1.00 54.03 ATOM 2121 HN ASN 128 2.654 -39.776 21.804 1.00 37.59 ATOM 2122 CA ASN 128 0.876 -40.912 21.548 1.00 11.52 ATOM 2123 HA ASN 128 0.773 -41.958 21.295 1.00 12.55 ATOM 2124 CB ASN 128 0.535 -40.723 23.030 1.00 24.33 ATOM 2125 HB1 ASN 128 -0.449 -41.128 23.218 1.00 37.59 ATOM 2126 HB2 ASN 128 0.528 -39.667 23.256 1.00 11.41 ATOM 2127 CG ASN 128 1.517 -41.402 23.965 1.00 40.54 ATOM 2128 OD1 ASN 128 1.389 -42.580 24.274 1.00 42.44 ATOM 2129 ND2 ASN 128 2.483 -40.654 24.447 1.00 33.52 ATOM 2130 HD21 ASN 128 2.517 -39.715 24.180 1.00 32.35 ATOM 2131 HD22 ASN 128 3.122 -41.064 25.059 1.00 71.34 ATOM 2132 C ASN 128 -0.121 -40.094 20.705 1.00 4.33 ATOM 2133 O ASN 128 0.122 -38.926 20.396 1.00 4.24 ATOM 2134 N PRO 129 -1.283 -40.686 20.356 1.00 31.40 ATOM 2135 CA PRO 129 -2.342 -39.972 19.615 1.00 35.42 ATOM 2136 HA PRO 129 -1.967 -39.574 18.682 1.00 75.30 ATOM 2137 CB PRO 129 -3.378 -41.071 19.327 1.00 64.23 ATOM 2138 HB1 PRO 129 -3.214 -41.470 18.335 1.00 37.59 ATOM 2139 HB2 PRO 129 -4.377 -40.662 19.392 1.00 40.40 ATOM 2140 CG PRO 129 -3.138 -42.107 20.376 1.00 12.32 ATOM 2141 HG1 PRO 129 -3.443 -43.079 20.011 1.00 37.59 ATOM 2142 HG2 PRO 129 -3.684 -41.855 21.274 1.00 54.02 ATOM 2143 CD PRO 129 -1.656 -42.087 20.640 1.00 71.33 ATOM 2144 HD1 PRO 129 -1.142 -42.765 19.973 1.00 37.59 ATOM 2145 HD2 PRO 129 -1.451 -42.341 21.671 1.00 12.32 ATOM 2146 C PRO 129 -2.966 -38.827 20.434 1.00 1.31 ATOM 2147 O PRO 129 -3.443 -37.837 19.877 1.00 3.10 ATOM 2148 N ASN 130 -2.944 -38.963 21.760 1.00 33.00 ATOM 2149 HN ASN 130 -2.551 -39.771 22.149 1.00 37.59 ATOM 2150 CA ASN 130 -3.491 -37.933 22.650 1.00 44.22 ATOM 2151 HA ASN 130 -4.473 -37.671 22.281 1.00 71.53 ATOM 2152 CB ASN 130 -3.630 -38.476 24.077 1.00 2.14 ATOM 2153 HB1 ASN 130 -4.003 -37.691 24.720 1.00 37.59 ATOM 2154 HB2 ASN 130 -2.660 -38.796 24.432 1.00 55.43 ATOM 2155 CG ASN 130 -4.584 -39.656 24.158 1.00 42.12 ATOM 2156 OD1 ASN 130 -5.520 -39.771 23.375 1.00 5.53 ATOM 2157 ND2 ASN 130 -4.363 -40.539 25.107 1.00 71.12 ATOM 2158 HD21 ASN 130 -3.599 -40.394 25.707 1.00 54.21 ATOM 2159 HD22 ASN 130 -4.969 -41.305 25.175 1.00 4.43 ATOM 2160 C ASN 130 -2.613 -36.671 22.644 1.00 53.10 ATOM 2161 O ASN 130 -3.112 -35.559 22.460 1.00 41.23 ATOM 2162 N GLU 131 -1.304 -36.846 22.843 1.00 73.41 ATOM 2163 HN GLU 131 -0.962 -37.743 23.036 1.00 37.59 ATOM 2164 CA GLU 131 -0.368 -35.718 22.786 1.00 2.13 ATOM 2165 HA GLU 131 -0.728 -34.967 23.475 1.00 72.55 ATOM 2166 CB GLU 131 1.045 -36.149 23.221 1.00 40.32 ATOM 2167 HB1 GLU 131 0.973 -36.652 24.176 1.00 37.59 ATOM 2168 HB2 GLU 131 1.658 -35.270 23.342 1.00 13.43 ATOM 2169 CG GLU 131 1.750 -37.084 22.249 1.00 35.02 ATOM 2170 HG1 GLU 131 1.758 -36.627 21.269 1.00 37.59 ATOM 2171 HG2 GLU 131 1.202 -38.016 22.203 1.00 34.01 ATOM 2172 CD GLU 131 3.185 -37.376 22.659 1.00 51.13 ATOM 2173 OE1 GLU 131 3.469 -38.515 23.071 1.00 4.34 ATOM 2174 OE2 GLU 131 4.029 -36.461 22.593 1.00 13.41 ATOM 2175 C GLU 131 -0.344 -35.103 21.373 1.00 2.41 ATOM 2176 O GLU 131 -0.174 -33.893 21.212 1.00 11.51 ATOM 2177 N LEU 132 -0.529 -35.951 20.356 1.00 13.52 ATOM 2178 HN LEU 132 -0.587 -36.913 20.545 1.00 37.59 ATOM 2179 CA LEU 132 -0.629 -35.498 18.962 1.00 42.14 ATOM 2180 HA LEU 132 0.326 -35.075 18.684 1.00 42.25 ATOM 2181 CB LEU 132 -0.931 -36.691 18.040 1.00 21.32 ATOM 2182 HB1 LEU 132 -1.858 -37.142 18.365 1.00 37.59 ATOM 2183 HB2 LEU 132 -0.139 -37.420 18.157 1.00 1.14 ATOM 2184 CG LEU 132 -1.061 -36.351 16.543 1.00 44.45 ATOM 2185 HG LEU 132 -1.813 -35.583 16.425 1.00 41.03 ATOM 2186 CD1 LEU 132 0.251 -35.800 15.991 1.00 33.40 ATOM 2187 HD11 LEU 132 0.531 -34.913 16.542 1.00 33.14 ATOM 2188 HD12 LEU 132 0.127 -35.549 14.947 1.00 62.24 ATOM 2189 HD13 LEU 132 1.028 -36.544 16.091 1.00 14.22 ATOM 2190 CD2 LEU 132 -1.513 -37.572 15.744 1.00 22.42 ATOM 2191 HD21 LEU 132 -2.466 -37.917 16.121 1.00 13.41 ATOM 2192 HD22 LEU 132 -0.781 -38.361 15.841 1.00 11.30 ATOM 2193 HD23 LEU 132 -1.616 -37.303 14.703 1.00 43.45 ATOM 2194 C LEU 132 -1.717 -34.424 18.791 1.00 24.31 ATOM 2195 O LEU 132 -1.479 -33.377 18.185 1.00 0.54 ATOM 2196 N GLN 133 -2.907 -34.685 19.336 1.00 22.42 ATOM 2197 HN GLN 133 -3.035 -35.532 19.818 1.00 37.59 ATOM 2198 CA GLN 133 -4.032 -33.746 19.229 1.00 73.03 ATOM 2199 HA GLN 133 -4.234 -33.601 18.176 1.00 41.13 ATOM 2200 CB GLN 133 -5.286 -34.337 19.893 1.00 2.10 ATOM 2201 HB1 GLN 133 -5.090 -34.472 20.947 1.00 37.59 ATOM 2202 HB2 GLN 133 -5.489 -35.303 19.451 1.00 42.42 ATOM 2203 CG GLN 133 -6.541 -33.478 19.747 1.00 0.03 ATOM 2204 HG1 GLN 133 -6.406 -32.565 20.311 1.00 37.59 ATOM 2205 HG2 GLN 133 -7.383 -34.023 20.149 1.00 2.33 ATOM 2206 CD GLN 133 -6.845 -33.119 18.300 1.00 31.43 ATOM 2207 OE1 GLN 133 -7.522 -33.854 17.589 1.00 13.52 ATOM 2208 NE2 GLN 133 -6.356 -31.979 17.851 1.00 3.53 ATOM 2209 HE21 GLN 133 -5.827 -31.428 18.464 1.00 1.52 ATOM 2210 HE22 GLN 133 -6.546 -31.733 16.925 1.00 52.25 ATOM 2211 C GLN 133 -3.687 -32.380 19.850 1.00 70.40 ATOM 2212 O GLN 133 -4.043 -31.329 19.308 1.00 33.15 ATOM 2213 N ALA 134 -2.988 -32.402 20.984 1.00 61.41 ATOM 2214 HN ALA 134 -2.789 -33.266 21.404 1.00 37.59 ATOM 2215 CA ALA 134 -2.512 -31.169 21.623 1.00 74.24 ATOM 2216 HA ALA 134 -3.361 -30.512 21.756 1.00 24.23 ATOM 2217 CB ALA 134 -1.934 -31.481 22.999 1.00 61.51 ATOM 2218 HB1 ALA 134 -1.624 -30.563 23.478 1.00 11.45 ATOM 2219 HB2 ALA 134 -1.082 -32.136 22.893 1.00 23.22 ATOM 2220 HB3 ALA 134 -2.687 -31.967 23.604 1.00 64.33 ATOM 2221 C ALA 134 -1.462 -30.461 20.750 1.00 43.24 ATOM 2222 O ALA 134 -1.489 -29.241 20.593 1.00 55.33 ATOM 2223 N ALA 135 -0.542 -31.245 20.186 1.00 0.01 ATOM 2224 HN ALA 135 -0.560 -32.206 20.384 1.00 37.59 ATOM 2225 CA ALA 135 0.503 -30.727 19.289 1.00 43.15 ATOM 2226 HA ALA 135 1.135 -30.061 19.858 1.00 53.42 ATOM 2227 CB ALA 135 1.360 -31.881 18.782 1.00 42.55 ATOM 2228 HB1 ALA 135 2.161 -31.494 18.169 1.00 72.44 ATOM 2229 HB2 ALA 135 0.747 -32.553 18.193 1.00 73.21 ATOM 2230 HB3 ALA 135 1.776 -32.416 19.622 1.00 75.22 ATOM 2231 C ALA 135 -0.092 -29.962 18.098 1.00 15.53 ATOM 2232 O ALA 135 0.254 -28.803 17.841 1.00 11.32 ATOM 2233 N ILE 136 -0.981 -30.632 17.372 1.00 40.34 ATOM 2234 HN ILE 136 -1.174 -31.564 17.610 1.00 37.59 ATOM 2235 CA ILE 136 -1.681 -30.036 16.231 1.00 13.42 ATOM 2236 HA ILE 136 -0.950 -29.806 15.466 1.00 12.12 ATOM 2237 CB ILE 136 -2.704 -31.037 15.652 1.00 12.51 ATOM 2238 HB ILE 136 -3.399 -31.295 16.441 1.00 61.40 ATOM 2239 CG1 ILE 136 -1.984 -32.313 15.186 1.00 30.34 ATOM 2240 HG11 ILE 136 -1.208 -32.561 15.896 1.00 37.59 ATOM 2241 HG12 ILE 136 -1.535 -32.138 14.220 1.00 5.24 ATOM 2242 CG2 ILE 136 -3.507 -30.404 14.511 1.00 63.44 ATOM 2243 HG21 ILE 136 -4.040 -29.536 14.883 1.00 50.01 ATOM 2244 HG22 ILE 136 -4.217 -31.121 14.127 1.00 30.45 ATOM 2245 HG23 ILE 136 -2.836 -30.101 13.720 1.00 21.40 ATOM 2246 CD1 ILE 136 -2.891 -33.517 15.061 1.00 33.31 ATOM 2247 HD11 ILE 136 -3.331 -33.733 16.023 1.00 53.10 ATOM 2248 HD12 ILE 136 -2.309 -34.366 14.734 1.00 3.12 ATOM 2249 HD13 ILE 136 -3.671 -33.314 14.342 1.00 54.13 ATOM 2250 C ILE 136 -2.413 -28.754 16.637 1.00 10.44 ATOM 2251 O ILE 136 -2.271 -27.710 15.993 1.00 44.11 ATOM 2252 N ASP 137 -3.199 -28.849 17.711 1.00 0.23 ATOM 2253 HN ASP 137 -3.286 -29.718 18.160 1.00 37.59 ATOM 2254 CA ASP 137 -3.930 -27.702 18.243 1.00 11.32 ATOM 2255 HA ASP 137 -4.661 -27.405 17.499 1.00 23.30 ATOM 2256 CB ASP 137 -4.658 -28.095 19.532 1.00 43.33 ATOM 2257 HB1 ASP 137 -3.948 -28.526 20.225 1.00 37.59 ATOM 2258 HB2 ASP 137 -5.415 -28.832 19.301 1.00 75.11 ATOM 2259 CG ASP 137 -5.327 -26.910 20.203 1.00 50.42 ATOM 2260 OD1 ASP 137 -6.458 -26.563 19.816 1.00 74.22 ATOM 2261 OD2 ASP 137 -4.719 -26.319 21.118 1.00 62.23 ATOM 2262 C ASP 137 -2.991 -26.518 18.502 1.00 44.45 ATOM 2263 O ASP 137 -3.274 -25.395 18.092 1.00 31.23 ATOM 2264 N SER 138 -1.871 -26.783 19.167 1.00 34.22 ATOM 2265 HN SER 138 -1.708 -27.698 19.483 1.00 37.59 ATOM 2266 CA SER 138 -0.872 -25.744 19.449 1.00 72.24 ATOM 2267 HA SER 138 -1.333 -25.015 20.100 1.00 3.45 ATOM 2268 CB SER 138 0.344 -26.349 20.165 1.00 12.44 ATOM 2269 HB1 SER 138 1.063 -25.569 20.374 1.00 37.59 ATOM 2270 HB2 SER 138 0.799 -27.096 19.532 1.00 13.14 ATOM 2271 OG SER 138 -0.033 -26.960 21.390 1.00 53.55 ATOM 2272 HG SER 138 0.409 -27.817 21.470 1.00 53.21 ATOM 2273 C SER 138 -0.426 -25.043 18.160 1.00 11.52 ATOM 2274 O SER 138 -0.527 -23.822 18.045 1.00 32.11 ATOM 2275 N ASN 139 0.024 -25.827 17.176 1.00 52.00 ATOM 2276 HN ASN 139 0.034 -26.801 17.311 1.00 37.59 ATOM 2277 CA ASN 139 0.484 -25.274 15.891 1.00 42.24 ATOM 2278 HA ASN 139 1.358 -24.669 16.092 1.00 74.11 ATOM 2279 CB ASN 139 0.877 -26.402 14.922 1.00 23.12 ATOM 2280 HB1 ASN 139 0.933 -26.000 13.920 1.00 37.59 ATOM 2281 HB2 ASN 139 0.116 -27.169 14.949 1.00 45.20 ATOM 2282 CG ASN 139 2.214 -27.052 15.249 1.00 44.30 ATOM 2283 OD1 ASN 139 2.915 -27.517 14.358 1.00 52.12 ATOM 2284 ND2 ASN 139 2.581 -27.101 16.515 1.00 2.30 ATOM 2285 HD21 ASN 139 1.986 -26.720 17.189 1.00 33.23 ATOM 2286 HD22 ASN 139 3.439 -27.527 16.724 1.00 53.14 ATOM 2287 C ASN 139 -0.583 -24.382 15.232 1.00 72.02 ATOM 2288 O ASN 139 -0.281 -23.293 14.742 1.00 34.14 ATOM 2289 N ARG 140 -1.830 -24.850 15.214 1.00 10.20 ATOM 2290 HN ARG 140 -2.016 -25.724 15.623 1.00 37.59 ATOM 2291 CA ARG 140 -2.926 -24.098 14.590 1.00 54.30 ATOM 2292 HA ARG 140 -2.527 -23.651 13.690 1.00 31.42 ATOM 2293 CB ARG 140 -4.067 -25.055 14.182 1.00 40.01 ATOM 2294 HB1 ARG 140 -3.682 -25.744 13.444 1.00 37.59 ATOM 2295 HB2 ARG 140 -4.857 -24.475 13.729 1.00 22.52 ATOM 2296 CG ARG 140 -4.678 -25.880 15.316 1.00 32.35 ATOM 2297 HG1 ARG 140 -3.919 -26.050 16.068 1.00 37.59 ATOM 2298 HG2 ARG 140 -5.003 -26.830 14.918 1.00 15.22 ATOM 2299 CD ARG 140 -5.875 -25.195 15.968 1.00 62.33 ATOM 2300 HD1 ARG 140 -5.533 -24.312 16.489 1.00 37.59 ATOM 2301 HD2 ARG 140 -6.317 -25.882 16.677 1.00 34.44 ATOM 2302 NE ARG 140 -6.883 -24.809 14.981 1.00 42.21 ATOM 2303 HE ARG 140 -6.575 -24.325 14.188 1.00 34.34 ATOM 2304 CZ ARG 140 -8.158 -25.071 15.082 1.00 45.40 ATOM 2305 NH1 ARG 140 -8.636 -25.694 16.111 1.00 44.44 ATOM 2306 HH11 ARG 140 -8.033 -25.982 16.850 1.00 14.41 ATOM 2307 HH12 ARG 140 -9.613 -25.889 16.161 1.00 53.50 ATOM 2308 NH2 ARG 140 -8.966 -24.703 14.145 1.00 1.15 ATOM 2309 HH21 ARG 140 -8.617 -24.215 13.344 1.00 63.21 ATOM 2310 HH22 ARG 140 -9.937 -24.918 14.215 1.00 51.51 ATOM 2311 C ARG 140 -3.433 -22.953 15.492 1.00 70.43 ATOM 2312 O ARG 140 -4.009 -21.979 15.007 1.00 55.23 ATOM 2313 N ARG 141 -3.208 -23.069 16.799 1.00 2.30 ATOM 2314 HN ARG 141 -2.753 -23.871 17.135 1.00 37.59 ATOM 2315 CA ARG 141 -3.616 -22.029 17.757 1.00 4.44 ATOM 2316 HA ARG 141 -4.579 -21.650 17.442 1.00 33.11 ATOM 2317 CB ARG 141 -3.753 -22.633 19.165 1.00 45.14 ATOM 2318 HB1 ARG 141 -2.770 -22.909 19.521 1.00 37.59 ATOM 2319 HB2 ARG 141 -4.362 -23.524 19.101 1.00 72.30 ATOM 2320 CG ARG 141 -4.388 -21.698 20.191 1.00 44.11 ATOM 2321 HG1 ARG 141 -5.344 -21.361 19.813 1.00 37.59 ATOM 2322 HG2 ARG 141 -3.740 -20.846 20.338 1.00 74.50 ATOM 2323 CD ARG 141 -4.605 -22.388 21.538 1.00 24.24 ATOM 2324 HD1 ARG 141 -5.078 -21.687 22.212 1.00 37.59 ATOM 2325 HD2 ARG 141 -3.643 -22.673 21.939 1.00 42.34 ATOM 2326 NE ARG 141 -5.446 -23.585 21.426 1.00 44.53 ATOM 2327 HE ARG 141 -5.131 -24.309 20.844 1.00 13.43 ATOM 2328 CZ ARG 141 -6.570 -23.763 22.070 1.00 52.33 ATOM 2329 NH1 ARG 141 -7.051 -22.832 22.832 1.00 11.32 ATOM 2330 HH11 ARG 141 -6.563 -21.967 22.931 1.00 44.03 ATOM 2331 HH12 ARG 141 -7.911 -22.979 23.316 1.00 71.35 ATOM 2332 NH2 ARG 141 -7.222 -24.869 21.925 1.00 73.34 ATOM 2333 HH21 ARG 141 -6.866 -25.580 21.317 1.00 11.30 ATOM 2334 HH22 ARG 141 -8.071 -25.018 22.429 1.00 34.10 ATOM 2335 C ARG 141 -2.609 -20.863 17.766 1.00 33.23 ATOM 2336 O ARG 141 -2.950 -19.733 18.115 1.00 22.34 ATOM 2337 N GLU 142 -1.369 -21.145 17.364 1.00 33.03 ATOM 2338 HN GLU 142 -1.140 -22.076 17.155 1.00 37.59 ATOM 2339 CA GLU 142 -0.326 -20.112 17.247 1.00 72.30 ATOM 2340 HA GLU 142 -0.387 -19.481 18.123 1.00 31.30 ATOM 2341 CB GLU 142 1.063 -20.771 17.208 1.00 12.34 ATOM 2342 HB1 GLU 142 1.806 -20.008 17.020 1.00 37.59 ATOM 2343 HB2 GLU 142 1.086 -21.488 16.398 1.00 3.05 ATOM 2344 CG GLU 142 1.440 -21.497 18.498 1.00 41.52 ATOM 2345 HG1 GLU 142 0.642 -22.180 18.756 1.00 37.59 ATOM 2346 HG2 GLU 142 1.552 -20.766 19.287 1.00 14.32 ATOM 2347 CD GLU 142 2.737 -22.284 18.376 1.00 14.43 ATOM 2348 OE1 GLU 142 2.690 -23.465 17.971 1.00 15.52 ATOM 2349 OE2 GLU 142 3.815 -21.735 18.688 1.00 73.40 ATOM 2350 C GLU 142 -0.526 -19.232 15.997 1.00 44.13 ATOM 2351 O GLU 142 0.290 -18.353 15.703 1.00 75.42 ATOM 2352 N GLY 143 -1.619 -19.465 15.269 1.00 64.15 ATOM 2353 HN GLY 143 -2.228 -20.180 15.543 1.00 37.59 ATOM 2354 CA GLY 143 -1.919 -18.680 14.076 1.00 51.20 ATOM 2355 HA1 GLY 143 -2.633 -19.225 13.476 1.00 37.59 ATOM 2356 HA2 GLY 143 -1.012 -18.556 13.502 1.00 63.31 ATOM 2357 C GLY 143 -2.493 -17.300 14.388 1.00 71.34 ATOM 2358 O GLY 143 -3.612 -16.977 13.984 1.00 1.14 ATOM 2359 N ARG 144 -1.725 -16.484 15.109 1.00 10.41 ATOM 2360 HN ARG 144 -0.853 -16.807 15.417 1.00 37.59 ATOM 2361 CA ARG 144 -2.144 -15.119 15.452 1.00 44.24 ATOM 2362 HA ARG 144 -3.210 -15.138 15.632 1.00 74.43 ATOM 2363 CB ARG 144 -1.436 -14.638 16.731 1.00 41.20 ATOM 2364 HB1 ARG 144 -1.826 -15.194 17.572 1.00 37.59 ATOM 2365 HB2 ARG 144 -1.657 -13.589 16.876 1.00 52.23 ATOM 2366 CG ARG 144 0.086 -14.811 16.705 1.00 20.20 ATOM 2367 HG1 ARG 144 0.441 -14.644 15.697 1.00 37.59 ATOM 2368 HG2 ARG 144 0.328 -15.822 17.005 1.00 24.31 ATOM 2369 CD ARG 144 0.793 -13.838 17.647 1.00 70.25 ATOM 2370 HD1 ARG 144 1.823 -14.149 17.761 1.00 37.59 ATOM 2371 HD2 ARG 144 0.303 -13.861 18.610 1.00 4.01 ATOM 2372 NE ARG 144 0.763 -12.469 17.129 1.00 72.05 ATOM 2373 HE ARG 144 0.088 -12.254 16.453 1.00 13.42 ATOM 2374 CZ ARG 144 1.597 -11.527 17.478 1.00 61.13 ATOM 2375 NH1 ARG 144 2.489 -11.728 18.395 1.00 13.53 ATOM 2376 HH11 ARG 144 2.549 -12.613 18.850 1.00 35.53 ATOM 2377 HH12 ARG 144 3.119 -10.996 18.641 1.00 41.30 ATOM 2378 NH2 ARG 144 1.528 -10.373 16.908 1.00 65.51 ATOM 2379 HH21 ARG 144 0.835 -10.209 16.207 1.00 32.15 ATOM 2380 HH22 ARG 144 2.178 -9.656 17.153 1.00 22.43 ATOM 2381 C ARG 144 -1.858 -14.129 14.311 1.00 41.21 ATOM 2382 O ARG 144 -1.227 -14.476 13.309 1.00 3.05 ATOM 2383 N ARG 145 -2.325 -12.895 14.482 1.00 42.21 ATOM 2384 HN ARG 145 -2.860 -12.701 15.280 1.00 37.59 ATOM 2385 HA ARG 145 -2.092 -12.257 12.523 1.00 21.12 ATOM 2386 CB ARG 145 -3.208 -10.770 13.594 1.00 31.30 ATOM 2387 HB1 ARG 145 -4.124 -11.218 13.234 1.00 37.59 ATOM 2388 HB2 ARG 145 -2.956 -9.933 12.956 1.00 1.32 ATOM 2389 CG ARG 145 -3.456 -10.240 15.004 1.00 72.43 ATOM 2390 HG1 ARG 145 -2.561 -9.744 15.354 1.00 37.59 ATOM 2391 HG2 ARG 145 -3.684 -11.072 15.653 1.00 20.43 ATOM 2392 CD ARG 145 -4.618 -9.255 15.047 1.00 5.12 ATOM 2393 HD1 ARG 145 -5.508 -9.750 14.685 1.00 37.59 ATOM 2394 HD2 ARG 145 -4.389 -8.414 14.407 1.00 30.31 ATOM 2395 NE ARG 145 -4.869 -8.768 16.400 1.00 22.44 ATOM 2396 HE ARG 145 -4.424 -9.229 17.137 1.00 34.24 ATOM 2397 CZ ARG 145 -5.644 -7.758 16.685 1.00 43.42 ATOM 2398 NH1 ARG 145 -6.277 -7.125 15.752 1.00 4.12 ATOM 2399 HH11 ARG 145 -6.177 -7.406 14.801 1.00 3.54 ATOM 2400 HH12 ARG 145 -6.872 -6.358 15.985 1.00 41.13 ATOM 2401 NH2 ARG 145 -5.797 -7.394 17.912 1.00 42.40 ATOM 2402 HH21 ARG 145 -5.327 -7.886 18.641 1.00 71.33 ATOM 2403 HH22 ARG 145 -6.379 -6.612 18.130 1.00 73.50 ATOM 2404 CA ARG 145 -2.081 -11.813 13.512 1.00 41.40 ATOM 2405 C ARG 145 -0.707 -11.138 13.731 1.00 71.13 ATOM 2406 OT1 ARG 145 -0.373 -10.806 14.895 1.00 37.59 ATOM 2407 OT2 ARG 145 0.022 -10.924 12.732 1.00 37.59 ATOM 2408 OH2 TIP3 1 -2.250 -47.060 -5.620 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -1.800 -46.585 -4.907 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.521 -46.347 -6.255 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -4.996 -51.417 -18.490 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -5.504 -51.368 -17.643 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -5.262 -52.259 -18.874 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 0.762 -50.511 -18.532 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 0.067 -50.842 -19.111 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 0.366 -50.554 -17.639 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -1.840 -53.206 -8.888 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -1.177 -53.158 -8.163 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -1.298 -53.213 -9.701 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -6.575 -51.403 -16.301 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -7.315 -51.800 -15.835 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -6.399 -50.571 -15.809 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -3.450 -51.209 -9.910 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -2.825 -50.916 -10.605 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -2.952 -51.897 -9.422 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -3.916 -58.385 -1.055 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -3.902 -57.433 -1.284 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -4.870 -58.595 -0.967 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -5.754 -60.035 1.684 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -6.066 -59.654 0.834 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -5.166 -60.773 1.416 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -7.435 -51.359 1.107 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -7.924 -51.426 1.953 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -8.040 -50.865 0.520 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -6.626 -58.667 -0.511 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -7.494 -58.778 -0.956 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -6.741 -57.860 0.044 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -4.781 -63.955 3.494 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -5.090 -63.055 3.732 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -4.703 -63.931 2.533 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -9.046 -59.125 -1.778 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -9.200 -60.022 -2.092 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -9.856 -58.654 -1.996 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -3.307 -52.907 -2.046 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -4.125 -52.561 -1.626 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -2.794 -52.109 -2.265 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -0.476 -57.878 2.590 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 0.130 -57.272 2.102 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -0.995 -58.315 1.880 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -2.581 -58.024 -4.436 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -3.312 -57.378 -4.355 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -2.635 -58.544 -3.627 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -3.614 -58.676 2.849 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -4.479 -59.024 2.557 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -3.023 -58.846 2.086 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -12.304 -53.871 5.553 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -12.993 -53.657 6.191 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -12.016 -54.776 5.803 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -3.964 -55.707 -1.766 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -3.610 -54.800 -1.831 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -4.298 -55.894 -2.667 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -10.117 -52.093 5.965 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -9.687 -51.871 5.121 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -10.852 -52.682 5.711 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 0.269 -53.181 -7.143 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 0.392 -52.390 -6.572 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 0.349 -53.938 -6.521 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -9.153 -57.188 5.234 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -9.920 -56.608 5.369 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -9.254 -57.876 5.913 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -5.650 -52.501 -0.608 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -6.214 -53.261 -0.798 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -6.175 -51.972 0.039 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -4.576 -50.001 -7.612 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -4.075 -50.150 -8.436 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -5.036 -50.852 -7.461 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -1.510 -49.018 -1.490 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -1.522 -48.260 -2.094 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -1.450 -49.791 -2.082 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -5.839 -61.919 7.126 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -5.493 -62.836 7.009 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -5.223 -61.511 7.769 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -6.854 -59.347 4.040 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -6.631 -59.592 3.111 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -6.857 -58.367 4.032 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -6.886 -56.560 3.987 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -7.721 -56.827 4.442 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -6.916 -55.580 4.004 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -5.288 -52.663 -7.960 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -4.979 -52.499 -8.859 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -4.879 -53.522 -7.719 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -1.986 -59.134 0.686 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -2.635 -58.889 -0.019 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -1.316 -59.685 0.215 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -7.868 -54.001 4.032 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -8.718 -54.236 3.642 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -7.863 -53.025 4.018 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -6.473 -56.626 1.269 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -5.582 -56.255 1.284 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -6.732 -56.661 2.212 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -2.883 -49.681 -5.402 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -3.492 -49.826 -6.152 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -2.624 -48.733 -5.487 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -4.344 -55.927 -4.529 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -4.827 -55.882 -5.365 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -3.667 -55.211 -4.607 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -3.672 -61.808 1.234 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -3.206 -61.732 2.090 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -3.023 -61.508 0.585 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -15.404 -52.362 14.473 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -16.083 -52.677 15.080 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -15.897 -51.948 13.756 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -3.664 -54.837 -7.568 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -3.060 -54.268 -8.087 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -3.071 -55.499 -7.158 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -10.540 -55.857 9.266 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -11.230 -55.369 9.774 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -10.666 -56.778 9.521 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -9.692 -58.565 7.588 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -9.315 -59.402 7.235 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -8.965 -58.175 8.091 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -4.672 -64.245 6.243 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -4.242 -65.065 6.495 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -4.736 -64.297 5.264 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -7.958 -60.287 6.392 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -7.726 -60.057 5.464 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -7.388 -61.059 6.599 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -2.529 -53.897 -4.515 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -2.165 -53.170 -5.033 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -2.752 -53.490 -3.654 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 1.216 -56.351 1.109 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 2.053 -56.844 1.258 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 1.326 -55.958 0.238 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -1.168 -59.598 4.582 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -1.697 -60.333 4.193 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -0.769 -59.156 3.806 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -0.128 -60.794 -0.433 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 0.259 -60.871 -1.318 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 0.542 -61.199 0.153 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -5.228 -61.473 4.534 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -5.458 -61.661 5.470 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -5.767 -60.685 4.309 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -13.124 -51.569 1.347 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -13.841 -51.528 0.713 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -12.499 -50.870 1.050 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -9.948 -48.998 2.791 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -10.562 -48.566 3.432 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -9.528 -48.245 2.322 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -1.431 -50.987 -3.526 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.045 -50.518 -4.146 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -0.620 -51.121 -4.057 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -4.149 -50.811 15.901 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -4.766 -51.563 15.794 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -3.262 -51.208 15.759 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -6.696 -49.359 20.278 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -7.133 -48.636 20.767 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -7.068 -49.300 19.378 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -5.880 -55.076 11.725 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -6.739 -54.795 11.350 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -5.708 -55.946 11.294 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -4.539 -51.052 20.035 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -3.959 -50.311 19.756 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -5.377 -50.607 20.303 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -6.058 -51.899 13.177 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -6.931 -52.191 12.827 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.044 -52.250 14.096 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -8.712 -56.124 13.799 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -9.498 -55.561 13.634 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -8.675 -56.707 13.038 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -5.565 -57.360 10.348 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -4.749 -57.884 10.454 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -5.988 -57.736 9.550 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -8.535 -52.882 12.454 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -8.461 -53.423 11.645 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -9.313 -53.245 12.906 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -9.942 -51.395 8.613 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -9.156 -51.935 8.792 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -10.121 -51.546 7.658 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -3.881 -53.273 12.112 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -4.471 -52.580 12.464 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -4.480 -54.035 11.955 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -6.403 -58.757 8.089 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -6.965 -59.244 7.456 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -5.621 -59.337 8.207 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -5.969 -52.892 15.709 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -5.793 -53.039 16.667 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -6.122 -53.798 15.351 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -10.908 -54.543 13.015 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -11.383 -54.714 12.181 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -11.508 -53.947 13.511 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -6.155 -55.263 14.463 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -5.918 -55.177 13.515 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -7.070 -55.622 14.446 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -11.426 -56.296 6.671 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -11.051 -55.911 7.489 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -11.309 -57.253 6.788 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -12.545 -54.756 10.730 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -13.474 -55.002 10.774 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -12.554 -53.766 10.805 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -8.261 -54.605 10.325 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -9.007 -55.081 9.909 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -7.976 -53.965 9.639 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -12.655 -52.147 11.281 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -12.187 -51.319 11.027 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -12.598 -52.164 12.253 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -1.678 -49.214 16.743 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -2.067 -48.551 16.130 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -1.658 -50.043 16.214 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -11.211 -49.906 10.647 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -11.372 -49.004 10.295 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -10.720 -50.361 9.925 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -0.674 -48.236 22.625 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 0.283 -48.252 22.851 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -0.835 -49.111 22.214 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -1.439 -56.727 14.202 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -0.700 -56.404 14.726 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -2.237 -56.373 14.666 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -3.515 -55.569 15.503 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -3.357 -54.829 16.117 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -4.443 -55.455 15.219 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -2.455 -53.474 17.175 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -1.683 -53.494 17.777 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -2.165 -52.889 16.437 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -0.349 -50.314 18.899 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -0.348 -51.274 18.690 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -0.710 -49.893 18.090 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -3.215 -58.749 10.813 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -3.149 -59.269 11.623 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -2.739 -57.912 11.026 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -4.126 -60.235 8.575 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -3.310 -60.379 8.039 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -3.800 -59.810 9.394 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -5.667 -49.251 13.603 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -5.756 -50.209 13.406 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -6.558 -48.976 13.844 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -1.255 -50.660 21.477 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -1.826 -51.454 21.370 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -0.995 -50.429 20.557 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -7.569 -46.763 -17.759 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -7.828 -46.723 -18.699 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -6.612 -46.848 -17.785 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -5.419 -45.126 -21.022 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -6.254 -45.590 -20.800 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -4.931 -45.770 -21.584 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -1.477 -43.566 -18.769 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -0.918 -44.322 -19.045 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -2.373 -43.952 -18.694 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -4.470 -33.892 -18.057 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -5.077 -33.127 -18.103 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -4.005 -33.884 -18.909 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -4.706 -49.256 -12.398 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -4.684 -49.802 -11.598 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -4.529 -48.343 -12.070 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -3.777 -34.915 -12.770 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -3.871 -35.110 -13.721 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -3.034 -34.262 -12.738 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -6.176 -45.533 -13.283 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -6.858 -45.917 -13.888 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -6.532 -44.650 -13.052 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -3.657 -43.496 -11.863 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -3.343 -44.220 -12.414 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -3.676 -43.882 -10.948 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -7.968 -46.327 -10.582 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -8.317 -47.226 -10.376 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -7.327 -46.478 -11.289 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -8.944 -43.733 -10.999 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -8.143 -43.419 -11.457 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -8.779 -44.685 -10.859 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -4.119 -44.420 -18.681 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -4.275 -43.484 -18.432 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -4.683 -44.557 -19.472 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -7.717 -46.905 -15.024 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -7.898 -46.749 -15.977 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -7.391 -47.822 -14.992 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -4.324 -46.932 -15.022 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -4.964 -46.384 -14.524 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -3.618 -47.108 -14.384 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -0.647 -38.542 -14.560 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -0.760 -38.314 -15.507 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 0.326 -38.543 -14.428 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -7.264 -33.697 -9.739 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -6.653 -34.326 -9.328 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -6.991 -33.680 -10.688 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -1.324 -45.443 -22.538 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -1.965 -44.716 -22.335 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -0.453 -44.985 -22.589 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -1.559 -38.765 -12.018 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -1.324 -38.725 -12.977 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -1.313 -37.878 -11.677 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -2.474 -30.973 -11.288 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -1.562 -31.267 -11.562 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -3.048 -31.685 -11.607 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -6.000 -49.160 -14.827 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -5.701 -49.305 -13.902 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -5.373 -48.495 -15.176 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -4.336 -46.643 -11.610 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -5.020 -46.116 -12.072 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -4.151 -46.131 -10.787 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -3.509 -41.838 -17.933 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -2.610 -42.179 -18.095 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -3.370 -41.025 -17.438 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -3.454 -34.203 -15.583 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -3.422 -33.265 -15.333 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -3.942 -34.206 -16.441 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -0.929 -36.057 -11.206 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -0.589 -35.352 -11.772 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -0.476 -35.915 -10.345 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -7.381 -40.294 -8.016 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -7.801 -41.101 -7.659 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -7.024 -40.580 -8.888 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -4.025 -37.034 -10.907 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -4.062 -36.266 -11.519 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -3.455 -37.672 -11.366 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -5.831 -41.137 -10.074 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -4.957 -40.853 -10.427 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -5.619 -41.923 -9.518 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -6.420 -43.035 -12.057 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -5.461 -43.203 -12.134 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -6.474 -42.244 -11.486 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -3.306 -40.741 -11.022 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -2.647 -40.130 -11.413 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -3.177 -41.579 -11.503 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -10.054 -47.161 -7.633 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -10.663 -46.486 -7.944 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -9.196 -46.694 -7.553 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -8.858 -48.712 -9.577 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -8.596 -49.569 -9.227 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -9.419 -48.325 -8.871 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -5.340 -43.170 -8.382 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -4.979 -43.029 -7.482 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -4.748 -43.870 -8.769 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -1.019 -30.853 -16.760 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -1.035 -31.561 -17.433 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -1.793 -31.038 -16.198 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -1.803 -46.134 -25.183 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -1.575 -45.889 -24.264 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -2.733 -46.378 -25.137 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -0.915 -37.746 -17.254 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -1.185 -36.808 -17.197 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -0.925 -37.935 -18.198 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -1.254 -34.985 -17.025 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -0.488 -35.001 -16.426 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -2.016 -34.770 -16.438 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -3.220 -43.642 -21.897 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -4.095 -44.014 -21.668 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -3.217 -42.772 -21.487 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -3.739 -46.892 -22.274 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -3.614 -47.519 -21.531 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -2.863 -46.482 -22.390 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -7.487 -46.914 -20.525 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -8.145 -47.120 -21.197 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -7.038 -47.777 -20.354 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -6.791 -30.956 -9.567 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -6.945 -30.630 -10.464 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -7.079 -31.894 -9.601 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -1.362 -50.903 -11.689 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -0.711 -50.230 -11.370 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -0.894 -51.755 -11.576 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -6.124 -33.537 -12.253 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -5.327 -34.098 -12.332 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -6.152 -33.047 -13.100 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -6.199 -31.787 -17.338 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -7.111 -31.480 -17.346 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -6.031 -32.014 -16.399 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -0.873 -47.937 -18.306 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -1.276 -48.824 -18.372 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -1.560 -47.398 -17.860 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -0.313 -45.808 -19.899 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -0.509 -46.654 -19.440 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -0.679 -45.930 -20.796 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -3.380 -46.822 -17.651 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -3.616 -45.916 -17.957 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -3.723 -46.860 -16.732 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -5.292 -47.166 -7.346 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -4.931 -48.074 -7.384 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -4.498 -46.585 -7.409 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -6.129 -40.520 -5.100 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -6.914 -40.927 -4.656 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -5.707 -41.275 -5.570 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -5.068 -40.869 -2.522 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -5.366 -40.624 -3.419 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -5.861 -41.236 -2.104 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -5.432 -32.972 -2.004 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -5.036 -32.770 -2.876 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -6.046 -33.693 -2.189 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -8.758 -31.856 5.623 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -9.700 -31.990 5.366 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -8.704 -32.230 6.531 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -6.543 -43.591 2.642 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -5.731 -43.937 3.058 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -6.846 -42.892 3.263 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -9.454 -42.514 -0.764 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.494 -42.819 -1.690 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -8.844 -43.145 -0.329 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -11.343 -49.689 0.505 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -10.580 -49.838 -0.087 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -10.936 -49.461 1.364 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -7.965 -43.084 -7.684 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -8.123 -44.046 -7.635 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -7.052 -43.015 -8.038 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -4.018 -34.797 1.412 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -4.365 -34.388 0.608 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -4.716 -34.629 2.088 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -4.814 -32.613 -4.772 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -5.792 -32.622 -4.936 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -4.443 -33.073 -5.552 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -7.413 -32.503 -5.375 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -8.073 -32.872 -5.994 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -7.898 -31.811 -4.887 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -2.747 -29.798 -8.916 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -2.694 -30.190 -9.822 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -3.514 -30.250 -8.507 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -4.236 -33.740 -7.259 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -4.955 -34.412 -7.159 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -3.689 -34.084 -8.002 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -7.632 -45.847 -7.884 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -6.825 -46.381 -7.679 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -7.704 -45.895 -8.863 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -6.789 -42.441 7.406 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -6.239 -43.209 7.619 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -6.375 -41.709 7.899 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -7.872 -44.575 0.344 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -8.216 -45.342 0.841 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -7.262 -44.136 0.978 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -11.236 -46.466 -0.405 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -11.656 -45.578 -0.294 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -11.976 -47.088 -0.364 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -12.666 -40.416 -5.740 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -13.248 -41.024 -5.278 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -12.685 -40.732 -6.676 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -8.983 -45.819 -1.869 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -9.778 -46.151 -1.390 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -8.448 -45.383 -1.168 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -11.763 -43.858 0.077 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -11.100 -43.215 -0.241 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -11.840 -43.664 1.036 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -9.214 -39.222 -2.810 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.420 -38.713 -3.091 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.900 -38.962 -3.454 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -11.408 -32.064 5.030 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -12.204 -31.827 5.514 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -11.716 -32.233 4.134 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -7.429 -42.068 4.735 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -7.172 -42.256 5.666 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -7.139 -41.137 4.591 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -6.052 -34.544 3.249 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -6.195 -33.576 3.159 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -6.225 -34.725 4.199 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -3.893 -39.332 -0.453 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -4.294 -39.830 -1.195 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -2.980 -39.696 -0.385 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -9.021 -39.823 -0.114 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -9.102 -39.478 -1.027 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -9.189 -40.782 -0.208 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -8.437 -38.598 2.265 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -9.355 -38.513 2.545 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -8.495 -39.099 1.411 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -6.361 -36.830 1.684 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -6.573 -36.047 2.227 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -7.124 -37.430 1.817 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -10.266 -36.994 -7.052 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -10.961 -37.283 -7.652 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -10.486 -37.431 -6.199 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -11.074 -38.431 -4.819 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -11.759 -38.013 -4.285 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.520 -39.228 -5.199 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -7.122 -38.140 -4.175 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -6.683 -38.958 -4.470 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -7.397 -37.709 -5.003 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -8.022 -41.591 -3.561 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -8.657 -42.337 -3.600 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -8.536 -40.861 -3.153 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -9.002 -44.716 3.291 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -8.140 -44.277 3.134 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -8.882 -45.182 4.148 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -8.051 -48.262 -2.651 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -8.361 -47.354 -2.448 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -7.675 -48.192 -3.533 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -6.387 -35.350 -7.050 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -7.186 -34.810 -6.894 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -6.703 -36.274 -6.970 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -8.797 -34.014 -7.326 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -8.522 -33.816 -8.244 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -9.471 -34.704 -7.421 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -5.553 -36.803 7.638 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -5.712 -36.092 6.988 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -4.999 -36.374 8.328 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -2.629 -34.694 -9.313 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -1.749 -34.975 -8.983 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -2.617 -34.938 -10.252 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -7.686 -37.795 -6.898 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -8.598 -37.458 -7.043 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -7.706 -38.704 -7.269 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -6.804 -39.448 4.360 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -7.341 -39.103 3.616 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -7.028 -38.875 5.104 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -12.742 -41.489 -8.231 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -13.230 -41.547 -9.055 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -11.849 -41.846 -8.455 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -10.155 -42.230 5.008 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -9.205 -42.310 4.773 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -10.168 -41.547 5.705 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -10.304 -42.408 -9.020 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -10.020 -42.796 -9.877 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -9.536 -42.550 -8.435 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -5.189 -40.486 8.615 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -4.729 -41.355 8.688 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -4.608 -39.874 9.080 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -11.380 -44.824 5.146 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -11.881 -44.556 4.357 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -10.813 -44.050 5.337 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -11.528 -47.537 4.472 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -12.171 -47.826 5.127 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -11.315 -46.617 4.735 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -11.316 -43.388 2.730 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -11.214 -42.660 3.370 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -10.478 -43.891 2.813 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -4.102 -42.994 8.603 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -3.996 -43.840 9.063 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -3.367 -42.974 7.963 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -10.960 -45.581 7.761 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -11.197 -45.467 6.821 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -10.499 -44.746 7.991 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -9.335 -46.691 1.491 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -9.484 -45.990 2.162 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -10.093 -46.600 0.871 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -11.442 -52.759 3.152 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -12.137 -52.440 2.532 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -11.942 -53.193 3.871 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -1.340 -29.811 -3.479 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -0.969 -29.150 -4.114 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -1.657 -29.264 -2.731 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -6.060 -32.141 5.692 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -7.021 -31.956 5.604 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -5.697 -31.928 4.814 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -5.357 -28.895 5.366 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -6.324 -29.040 5.431 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -5.269 -28.189 4.692 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -6.044 -31.834 2.795 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -5.698 -31.730 1.882 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -6.670 -31.091 2.890 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -7.452 -29.481 2.307 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -7.068 -29.639 1.431 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -7.706 -28.533 2.293 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -8.976 -50.177 -0.947 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -9.135 -50.830 -1.637 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -8.572 -49.415 -1.428 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -9.783 -43.670 -3.340 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -9.534 -44.539 -2.952 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -10.519 -43.877 -3.929 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -4.798 -31.042 -7.690 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -5.552 -31.044 -8.326 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -4.673 -31.990 -7.467 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -9.094 -51.500 3.337 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -9.926 -52.001 3.152 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -9.347 -50.560 3.197 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -9.905 -44.565 13.049 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -9.976 -43.607 12.829 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -10.515 -44.997 12.422 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -10.047 -40.584 14.882 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -9.773 -41.025 15.717 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -10.115 -39.639 15.125 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.307 -35.804 17.077 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.477 -35.336 17.279 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.999 -35.172 17.332 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -3.168 -48.842 19.089 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -2.453 -49.018 18.447 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -3.913 -48.536 18.529 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -11.397 -43.650 17.919 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -11.202 -44.450 18.421 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -11.443 -43.956 16.989 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -3.177 -47.713 14.948 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -3.871 -47.785 15.635 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -3.617 -47.232 14.215 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -11.865 -40.764 22.372 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -11.587 -40.582 23.282 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -12.439 -39.999 22.140 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -7.423 -49.471 17.525 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -7.265 -50.400 17.307 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -8.053 -49.166 16.829 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -5.315 -45.920 21.784 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -4.512 -46.495 21.760 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -6.058 -46.543 21.648 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -9.790 -36.779 13.011 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -10.268 -36.975 12.193 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.615 -35.830 12.966 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.290 -41.917 12.557 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -10.103 -41.188 11.963 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.227 -41.515 13.458 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -10.240 -37.859 15.460 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -9.980 -37.559 14.558 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -9.780 -37.232 16.062 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -13.387 -38.533 21.902 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -13.840 -38.149 22.688 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -13.645 -37.958 21.180 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.391 -45.735 12.481 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.055 -45.132 12.867 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -7.934 -46.407 12.008 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.395 -33.935 22.670 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -10.999 -33.194 22.791 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -10.584 -34.528 23.434 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -10.043 -33.482 13.077 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -9.799 -32.588 12.782 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -9.728 -33.518 14.000 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -5.330 -31.997 8.317 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -5.460 -32.017 7.341 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -6.096 -32.470 8.664 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.224 -41.905 21.976 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -7.205 -41.892 22.114 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -5.923 -41.044 22.329 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -1.673 -44.809 7.386 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -1.779 -43.893 7.075 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -0.732 -45.002 7.244 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -8.980 -47.308 10.950 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -9.915 -47.288 10.665 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -8.511 -47.688 10.188 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -10.856 -45.027 15.572 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -10.444 -44.712 14.733 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -10.094 -45.341 16.109 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -7.690 -40.073 24.925 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -7.105 -39.763 24.207 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -7.272 -40.904 25.231 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -4.618 -46.484 12.857 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -4.544 -46.043 11.994 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -5.570 -46.432 13.065 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -9.505 -43.264 7.950 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -9.518 -42.374 7.555 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -8.591 -43.370 8.259 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -9.456 -41.813 17.256 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -10.170 -42.430 17.509 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -8.874 -41.798 18.019 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -8.897 -46.038 17.148 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.979 -45.678 18.059 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -7.963 -46.268 17.067 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -9.140 -44.856 19.678 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -8.213 -44.551 19.835 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -9.689 -44.161 20.091 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -12.191 -37.184 10.978 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -12.817 -37.772 10.544 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -12.658 -36.904 11.804 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.487 -45.424 8.373 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -7.634 -46.369 8.570 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -8.102 -45.238 7.648 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -5.544 -45.389 10.411 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -6.196 -45.366 11.145 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -6.092 -45.293 9.608 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -8.421 -35.690 8.103 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -7.978 -36.552 8.133 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.079 -35.733 8.836 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -10.336 -40.866 24.875 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.318 -41.746 24.456 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -9.467 -40.469 24.639 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -12.815 -36.967 15.766 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -13.161 -37.512 16.482 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -11.896 -37.300 15.633 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -13.587 -36.393 13.175 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -13.311 -36.685 14.071 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -14.218 -35.686 13.342 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -10.358 -34.887 20.060 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -9.969 -35.768 20.098 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -10.314 -34.565 20.986 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -12.947 -34.276 16.570 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -12.935 -33.703 15.773 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -12.951 -35.184 16.213 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -12.564 -32.709 14.337 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -11.837 -33.010 13.766 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -12.581 -31.741 14.215 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -6.636 -44.046 20.253 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -6.079 -44.724 20.689 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -6.414 -43.218 20.721 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.060 -48.624 15.519 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.669 -48.902 14.796 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.356 -47.732 15.748 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -10.259 -35.446 10.139 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -10.347 -34.818 10.867 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -10.998 -36.079 10.279 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -12.606 -46.664 14.288 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -12.001 -46.065 14.785 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -13.247 -46.950 14.946 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -8.817 -42.185 22.508 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -9.515 -42.264 21.824 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -9.092 -42.815 23.205 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -10.991 -49.042 13.561 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -11.539 -48.245 13.479 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -10.919 -49.379 12.647 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.779 -29.472 10.963 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -9.890 -28.558 11.260 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -9.518 -29.957 11.768 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -11.490 -47.255 9.838 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -11.332 -46.748 9.006 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -11.861 -46.589 10.456 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -6.116 -44.108 23.647 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -6.104 -43.319 23.068 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -5.675 -44.805 23.109 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -6.548 -34.820 5.982 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -6.338 -33.865 6.058 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -7.311 -34.946 6.576 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -11.173 -35.357 27.550 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -11.359 -34.975 28.413 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -10.245 -35.684 27.628 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -4.169 -35.218 9.443 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -4.091 -34.258 9.460 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -3.735 -35.511 10.265 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -11.430 -39.215 26.812 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -11.146 -39.808 26.087 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.869 -39.474 27.565 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -7.189 -38.943 7.467 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -6.647 -38.121 7.449 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -6.589 -39.607 7.868 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -9.520 -40.504 7.154 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -9.980 -40.183 7.936 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -8.693 -39.973 7.128 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -10.777 -42.597 20.633 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -11.267 -42.572 19.794 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -11.261 -41.958 21.213 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -6.586 -42.459 25.805 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -6.498 -43.210 25.174 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -7.448 -42.616 26.251 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -9.597 -43.684 24.652 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -9.597 -43.646 25.623 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -9.279 -44.592 24.446 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -7.904 -46.995 21.464 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -8.118 -46.763 22.391 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -8.504 -46.442 20.936 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -8.128 -45.924 24.073 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -7.415 -45.268 23.927 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -7.689 -46.641 24.591 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -10.603 -29.397 8.355 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -11.471 -29.794 8.451 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -10.213 -29.453 9.256 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -3.293 -38.705 27.328 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -3.979 -39.089 27.914 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -3.610 -37.797 27.154 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -0.466 -46.100 24.401 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -0.712 -46.761 23.726 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 0.188 -46.566 24.962 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -10.974 -35.521 24.807 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -11.618 -36.244 24.718 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -11.032 -35.271 25.755 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -8.084 -30.618 25.354 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -7.892 -31.396 24.781 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -8.736 -30.955 26.001 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -0.854 -51.081 24.250 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -1.292 -50.425 24.801 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -1.126 -50.852 23.342 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -7.521 -29.867 20.053 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -8.051 -29.663 20.840 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -6.616 -29.672 20.324 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.690 -33.387 17.762 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -11.609 -33.606 17.478 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -10.625 -33.756 18.671 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -4.934 -48.436 17.023 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -5.865 -48.595 17.273 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -4.658 -49.278 16.590 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.697 -52.638 14.017 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -13.654 -52.622 14.249 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -12.311 -51.939 14.558 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -3.151 -47.578 21.580 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -3.183 -48.047 20.719 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -2.244 -47.745 21.909 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -12.257 -45.507 11.820 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -12.841 -44.742 11.819 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -12.458 -45.964 12.667 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -8.425 -32.955 8.102 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -8.437 -33.938 8.147 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -8.948 -32.677 8.863 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -9.286 -39.956 28.589 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -8.757 -39.318 28.067 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.789 -40.046 29.426 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -6.516 -38.811 32.681 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -6.885 -37.902 32.758 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.760 -38.808 33.275 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -3.839 -36.024 27.012 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -4.233 -35.425 26.363 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -2.883 -35.761 27.033 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -4.708 -42.308 27.817 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -5.419 -42.465 27.165 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -4.064 -43.029 27.646 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -6.528 -47.700 25.394 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -5.597 -47.760 25.076 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -6.569 -48.335 26.111 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -7.334 -40.359 30.618 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -7.435 -41.200 31.077 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -7.090 -39.722 31.335 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -8.165 -35.508 25.069 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -9.070 -35.674 24.754 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -8.212 -35.682 26.027 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -0.305 -43.698 27.861 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -0.157 -43.499 26.918 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 0.300 -43.081 28.335 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -5.221 -39.867 28.871 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -5.946 -40.016 29.516 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -4.979 -40.778 28.568 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -6.106 -35.218 28.595 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -5.516 -35.749 28.037 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -5.519 -34.536 28.978 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -7.269 -36.207 32.992 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -7.064 -35.522 32.347 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -7.835 -35.769 33.634 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -12.948 -37.085 26.136 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -12.564 -36.452 26.770 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -12.513 -37.943 26.364 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -14.625 -37.323 23.986 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -15.509 -37.240 24.353 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -14.032 -37.264 24.771 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -8.540 -36.124 27.732 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -8.207 -37.034 27.572 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -7.788 -35.672 28.180 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -7.421 -38.559 27.177 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -6.599 -38.935 27.537 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -7.510 -38.976 26.290 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -9.073 -42.213 26.995 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -9.577 -41.746 26.302 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -9.116 -41.607 27.763 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -0.691 -39.459 27.511 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -1.608 -39.097 27.472 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -0.582 -39.730 28.448 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -3.180 -36.227 29.748 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -3.442 -35.317 29.971 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -3.434 -36.322 28.816 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -0.432 -40.054 30.218 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -1.353 -39.734 30.382 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 0.090 -39.628 30.907 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -2.866 -44.205 27.058 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -2.547 -44.067 26.150 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -2.079 -44.024 27.615 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -3.863 -48.078 24.782 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -3.413 -47.822 23.966 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -3.288 -47.724 25.498 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.418 -46.971 26.881 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -1.563 -46.935 27.345 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -2.808 -46.089 27.033 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -2.023 -27.158 -17.458 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -2.762 -27.780 -17.646 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -1.215 -27.706 -17.587 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 0.164 -25.544 -16.834 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 0.758 -26.278 -17.042 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -0.714 -25.863 -17.118 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.149 -28.950 -17.581 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -4.515 -28.769 -16.692 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.502 -29.818 -17.810 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -3.298 -21.525 -10.038 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -3.905 -21.865 -10.738 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -2.450 -22.008 -10.205 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -1.516 -24.150 -13.133 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -0.880 -23.978 -13.860 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -1.377 -23.415 -12.520 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 0.986 -19.637 -13.587 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 0.107 -19.383 -13.294 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 1.346 -18.820 -14.006 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -4.910 -28.166 -15.057 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -4.262 -28.491 -14.393 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -4.608 -27.255 -15.260 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -8.177 -28.094 -12.167 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -7.899 -28.019 -11.224 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -9.082 -27.777 -12.171 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 0.654 -22.304 -12.536 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 0.691 -22.728 -13.420 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 1.057 -21.426 -12.675 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -6.800 -29.696 -13.871 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -7.314 -29.127 -13.254 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -6.215 -29.066 -14.344 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -7.035 -22.043 -10.012 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -6.519 -21.910 -9.195 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -7.943 -22.123 -9.707 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -5.144 -22.100 -11.967 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -5.935 -22.100 -11.378 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -5.186 -22.951 -12.421 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -4.878 -24.431 -8.237 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.431 -24.651 -9.091 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -5.524 -25.159 -8.113 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -3.566 -25.195 -10.494 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.671 -25.687 -11.333 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -2.604 -25.210 -10.330 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -4.291 -19.352 -11.450 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -3.840 -19.979 -10.855 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -4.853 -19.918 -12.005 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -7.532 -28.136 -9.549 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -7.301 -29.008 -9.191 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -7.177 -27.504 -8.893 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -1.037 -22.835 -10.513 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -0.979 -23.800 -10.347 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -0.288 -22.649 -11.128 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -3.037 -29.065 -13.257 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -2.934 -28.131 -12.973 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.792 -29.585 -12.465 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -3.105 -26.310 -13.019 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -3.451 -26.172 -13.923 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -2.424 -25.604 -12.919 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -5.703 -32.035 -14.588 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -4.773 -31.735 -14.655 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -6.191 -31.234 -14.275 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -2.493 -27.391 -6.814 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -2.079 -27.455 -7.697 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -1.757 -27.593 -6.192 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -3.108 -16.977 -10.923 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -3.509 -17.846 -11.173 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -2.735 -16.643 -11.747 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -4.317 -19.237 -1.521 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -4.922 -18.621 -1.978 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -4.663 -20.123 -1.747 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -3.062 -18.730 0.974 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -3.529 -18.715 0.113 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -2.675 -19.630 1.017 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -0.965 -28.114 0.786 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -1.709 -27.765 1.327 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -0.208 -28.102 1.386 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -4.632 -29.066 -1.643 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -4.845 -29.356 -2.561 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -3.691 -28.821 -1.683 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -3.240 -27.047 1.953 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -3.928 -27.162 2.640 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -3.686 -26.551 1.259 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -6.262 -17.986 -3.235 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -6.176 -18.785 -3.810 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -7.213 -17.850 -3.162 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -4.244 -26.185 -1.734 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -4.897 -26.898 -1.653 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -3.384 -26.651 -1.734 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.848 -17.969 3.504 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -3.449 -18.204 2.631 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.769 -17.774 3.293 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -5.479 -26.875 3.579 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -5.515 -26.150 4.239 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -6.398 -26.938 3.245 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -4.247 -16.163 -2.952 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -4.683 -15.308 -2.977 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -4.965 -16.806 -3.133 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -2.130 -19.333 -3.212 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -2.039 -20.306 -3.166 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -2.873 -19.134 -2.612 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -3.015 -19.810 5.448 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -3.349 -19.174 4.781 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.034 -19.304 6.290 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -5.202 -21.810 -2.297 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.691 -22.559 -2.679 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -5.554 -22.163 -1.471 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 1.253 -21.209 2.270 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 1.822 -21.583 2.988 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 0.420 -20.984 2.726 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -1.845 -22.085 -3.431 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -2.568 -22.749 -3.472 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -1.264 -22.316 -4.197 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -5.874 -24.726 5.369 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -5.902 -24.797 6.349 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -5.393 -23.891 5.208 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -3.570 -25.044 -5.873 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -3.160 -25.887 -6.160 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -4.019 -24.713 -6.678 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -0.774 -17.197 8.236 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -1.641 -17.613 8.047 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -0.876 -16.834 9.147 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -4.645 -13.701 -7.934 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -4.787 -14.546 -8.413 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -5.433 -13.187 -8.125 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -1.357 -12.262 -3.974 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -1.948 -12.724 -4.605 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -1.003 -11.508 -4.492 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -8.140 -26.833 2.707 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -8.431 -26.411 3.550 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -8.683 -26.409 2.033 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 0.244 -24.655 -7.489 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -0.299 -24.998 -8.215 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 0.865 -25.401 -7.278 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -7.017 -22.849 9.717 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -7.958 -22.937 9.452 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -6.548 -23.500 9.150 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 0.389 -13.419 9.504 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 0.916 -13.251 8.701 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 0.871 -12.947 10.210 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 1.621 -21.560 -0.367 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 1.630 -21.677 0.611 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 0.816 -22.043 -0.656 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -6.548 -26.528 -7.507 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -7.147 -26.327 -6.780 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -5.945 -27.216 -7.139 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -1.982 -27.779 -1.710 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -1.466 -27.043 -2.120 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -1.549 -27.917 -0.830 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -5.998 -20.347 -4.537 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -5.759 -20.933 -3.789 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -5.880 -20.900 -5.320 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -10.929 -24.063 5.873 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -10.165 -24.475 5.419 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -11.507 -23.783 5.157 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -0.823 -27.985 -8.952 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -1.433 -28.760 -8.980 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -0.079 -28.281 -8.368 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -0.981 -20.284 3.615 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -1.505 -20.612 2.854 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -1.629 -20.243 4.350 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -2.486 -16.872 -8.214 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -3.356 -16.585 -7.906 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -2.573 -16.899 -9.187 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -5.157 -16.181 7.402 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -4.863 -15.636 8.165 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -6.112 -16.033 7.364 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -0.569 -14.896 -7.503 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -1.072 -15.718 -7.652 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -1.158 -14.358 -6.942 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -7.793 -30.428 -3.451 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -7.734 -30.653 -2.521 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -6.913 -30.065 -3.667 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -3.007 -30.134 5.268 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -3.912 -29.756 5.178 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -2.513 -29.738 4.545 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -3.840 -23.990 -3.367 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -4.007 -24.759 -2.774 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -3.813 -24.387 -4.272 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -1.471 -14.606 2.042 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -1.339 -13.825 1.477 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -2.100 -14.293 2.734 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -7.412 -14.717 9.704 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -6.436 -14.727 9.645 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -7.605 -15.195 10.518 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -5.139 -16.032 -9.325 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -5.909 -16.520 -9.640 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -4.427 -16.274 -9.953 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -5.060 -21.745 -7.976 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -5.027 -22.727 -7.920 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -4.487 -21.532 -8.739 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -7.147 -20.140 10.140 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -6.941 -21.102 10.091 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -8.010 -20.065 9.718 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -6.722 -23.204 12.504 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -6.885 -23.246 11.541 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -6.166 -22.403 12.615 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -4.038 -22.445 5.585 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -3.769 -21.501 5.553 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -3.882 -22.705 6.515 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -10.418 -25.437 8.208 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -9.945 -26.218 7.856 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -10.788 -25.003 7.406 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.594 -27.407 8.571 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -6.444 -27.851 8.477 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -4.939 -28.125 8.488 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -8.027 -29.333 5.000 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -7.940 -29.400 4.026 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -8.342 -30.226 5.273 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -8.702 -25.548 5.047 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -8.858 -26.256 5.714 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -7.820 -25.195 5.275 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -2.837 -13.621 4.141 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -3.135 -14.426 4.609 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -2.465 -13.060 4.847 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -2.819 -20.666 11.308 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -3.505 -21.002 11.920 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -3.309 -20.059 10.717 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -3.212 -16.023 5.406 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -3.935 -16.100 6.064 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -3.397 -16.737 4.760 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -0.849 -25.526 -9.950 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 0.124 -25.576 -10.065 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -1.094 -26.433 -9.646 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -0.887 -25.557 -2.921 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 0.012 -25.690 -3.303 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -1.380 -25.125 -3.629 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -3.385 -23.076 8.270 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -3.670 -22.517 9.010 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -2.421 -23.078 8.332 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -4.958 -28.535 -6.603 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -4.054 -28.157 -6.712 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -4.904 -29.414 -7.039 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -0.369 -28.109 -5.307 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 0.251 -28.378 -6.035 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 0.113 -27.386 -4.845 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -2.015 -21.248 1.218 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -1.602 -21.760 0.492 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -2.526 -21.922 1.727 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -3.242 -22.912 2.967 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -3.601 -22.672 3.847 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -2.960 -23.826 3.069 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -0.368 -13.539 -1.655 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -0.693 -12.944 -2.368 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -0.814 -14.398 -1.847 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -1.309 -11.710 1.810 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -2.233 -11.519 1.616 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -1.186 -11.388 2.733 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 0.531 -31.780 -3.482 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -0.155 -31.086 -3.372 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 0.788 -32.002 -2.584 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -5.532 -31.140 0.100 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -5.167 -30.359 -0.364 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -5.516 -31.848 -0.580 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -5.185 -29.836 -4.174 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -4.981 -30.741 -4.488 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -5.161 -29.288 -4.989 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -1.568 -15.795 -2.573 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -1.133 -16.092 -3.404 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -2.519 -15.997 -2.716 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -3.908 -29.643 8.061 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -3.972 -29.527 7.094 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -4.405 -30.477 8.234 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -2.295 -13.419 9.070 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -1.363 -13.685 9.241 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -2.340 -12.497 9.407 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -12.041 -19.671 14.505 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -12.858 -19.809 13.965 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -12.274 -18.950 15.097 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -7.129 -15.445 17.103 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -6.613 -14.639 17.322 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -7.861 -15.111 16.542 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -6.961 -20.086 22.517 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -6.758 -19.147 22.296 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -7.045 -20.085 23.499 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -14.733 -29.116 15.558 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -15.369 -29.809 15.361 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -13.922 -29.393 15.083 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -13.295 -24.929 16.390 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -13.729 -25.714 16.808 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -13.967 -24.242 16.430 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -15.351 -15.459 14.975 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -14.677 -15.141 15.614 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -16.189 -15.199 15.368 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -10.726 -21.183 20.596 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -11.094 -21.188 19.708 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -9.757 -21.050 20.454 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -9.031 -32.685 15.678 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -9.806 -32.787 16.275 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -8.327 -33.196 16.125 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -5.625 -13.092 14.754 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -5.746 -13.086 15.722 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -5.694 -14.042 14.509 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -5.125 -20.974 12.849 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -5.615 -20.129 12.921 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -4.835 -21.165 13.766 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -10.034 -23.614 11.818 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -10.285 -22.897 12.440 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -9.916 -23.158 10.962 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -8.103 -20.601 20.093 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -7.746 -20.576 21.011 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -7.434 -20.150 19.569 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -11.948 -25.921 22.812 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -11.724 -25.013 22.498 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -12.651 -26.221 22.195 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -10.226 -19.068 24.954 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -10.728 -19.263 24.128 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -10.894 -19.081 25.643 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -13.502 -14.523 16.793 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -12.996 -13.733 16.566 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -13.316 -14.664 17.726 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -14.439 -19.655 13.241 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -15.304 -19.981 12.977 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -14.480 -18.686 13.056 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -1.198 -12.111 25.770 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -1.702 -12.930 25.992 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -1.610 -11.430 26.314 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -7.878 -14.487 24.562 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -8.318 -15.351 24.364 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -8.166 -13.895 23.824 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -9.040 -14.119 15.563 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -9.869 -14.439 15.191 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -8.679 -13.523 14.865 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -4.884 -16.799 11.622 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -5.689 -17.210 12.004 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -4.278 -16.719 12.385 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -2.352 -26.523 22.540 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -3.032 -26.467 21.831 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -1.510 -26.704 22.056 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -8.164 -27.931 22.341 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -8.480 -27.295 23.015 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -8.749 -27.770 21.575 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -5.677 -24.705 8.129 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -5.603 -25.666 8.350 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -4.764 -24.369 8.209 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -14.620 -28.500 23.587 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -13.914 -28.166 24.185 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -15.205 -28.995 24.167 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -14.396 -27.155 17.416 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -14.255 -27.711 18.189 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -14.614 -27.794 16.697 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -10.327 -24.569 25.972 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -11.083 -24.920 26.496 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -9.534 -24.913 26.435 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -9.202 -27.639 6.821 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -9.753 -28.253 7.365 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -8.748 -28.234 6.183 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -10.137 -28.890 15.274 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -10.407 -27.956 15.337 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -9.637 -29.053 16.098 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -11.237 -26.207 15.147 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -11.704 -26.607 14.379 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -11.950 -25.728 15.638 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -12.387 -27.266 12.866 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -13.275 -26.981 12.616 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -11.815 -26.945 12.127 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -8.482 -27.258 18.284 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -8.362 -28.199 18.055 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -7.717 -27.052 18.891 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -12.492 -29.791 14.122 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -12.494 -29.024 13.514 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -11.694 -29.655 14.671 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -10.127 -27.314 20.500 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -10.648 -26.500 20.505 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -9.644 -27.286 19.646 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -10.553 -21.919 13.980 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -11.170 -21.165 14.126 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -10.549 -22.386 14.821 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -5.919 -15.779 14.548 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -5.164 -16.385 14.436 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -6.305 -16.033 15.405 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -9.513 -22.645 24.230 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -9.549 -21.771 24.648 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -9.886 -23.255 24.912 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -8.680 -16.984 23.948 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -8.068 -17.371 23.296 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -9.173 -17.753 24.303 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -1.911 -16.620 25.859 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -2.121 -16.552 24.904 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -2.021 -17.571 26.061 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -6.567 -17.459 22.090 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -6.525 -17.183 21.147 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -6.082 -16.757 22.569 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -4.613 -19.019 9.978 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -4.670 -18.206 10.528 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -5.513 -19.406 10.029 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -8.568 -12.845 22.520 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -9.191 -12.116 22.528 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -8.263 -12.891 21.585 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -14.557 -16.984 12.860 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -14.507 -16.310 12.179 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -14.878 -16.498 13.656 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -9.288 -25.787 23.629 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -9.418 -25.432 24.529 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -10.199 -25.893 23.284 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -10.842 -26.131 10.917 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -10.762 -26.012 9.949 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -10.542 -25.274 11.288 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -6.010 -12.996 17.471 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -5.166 -12.567 17.748 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -6.684 -12.295 17.573 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -8.022 -12.163 10.810 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -8.309 -11.352 10.349 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -8.116 -12.868 10.140 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -4.956 -15.002 28.038 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -5.740 -14.500 27.726 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -5.317 -15.647 28.651 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -3.326 -18.240 7.720 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -3.684 -18.670 8.530 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -3.976 -17.535 7.522 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -11.590 -19.541 22.676 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -12.026 -18.892 22.120 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -11.279 -20.226 22.050 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -6.772 -18.722 12.445 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -7.621 -18.774 12.939 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -6.961 -19.184 11.602 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -9.285 -19.380 13.402 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -10.133 -19.019 13.701 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -9.401 -20.340 13.474 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -14.016 -27.018 21.376 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -14.798 -26.630 20.970 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -14.373 -27.557 22.120 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -9.718 -22.945 9.078 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -9.890 -23.890 8.859 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -10.280 -22.458 8.463 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -6.773 -20.292 25.184 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -6.863 -19.747 25.971 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -5.848 -20.620 25.220 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 0.478 -26.693 10.648 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 0.559 -26.346 11.546 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 0.831 -25.983 10.088 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -12.550 -27.442 25.034 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -11.771 -28.040 25.077 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -12.330 -26.819 24.303 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -11.480 -29.028 22.219 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -10.969 -28.463 21.604 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -12.400 -28.869 21.976 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -10.884 -23.562 21.995 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -10.931 -22.771 21.427 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -10.401 -23.254 22.790 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -7.316 -28.318 26.735 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -7.567 -29.121 26.224 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -6.339 -28.301 26.687 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -5.241 -25.697 25.446 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -5.466 -26.245 24.656 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -4.988 -26.362 26.130 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -10.374 -29.104 24.694 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -10.691 -29.140 23.760 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -9.436 -29.374 24.638 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -12.420 -25.835 27.275 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -13.043 -26.154 27.932 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -12.561 -26.422 26.503 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -10.455 -30.896 26.789 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -11.264 -31.389 26.642 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -10.525 -30.130 26.183 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -4.669 -27.713 27.193 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -3.796 -28.146 27.093 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -4.728 -27.510 28.140 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -4.683 -12.095 26.107 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -5.488 -12.537 26.435 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -3.983 -12.768 26.210 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -2.434 -19.369 26.257 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -2.384 -20.013 26.994 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -3.173 -19.691 25.717 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -5.473 -15.609 23.893 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -6.289 -15.069 23.993 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -5.202 -15.793 24.802 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -4.235 -21.323 25.189 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -3.318 -21.539 24.921 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -4.466 -22.030 25.833 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -2.923 -24.646 24.382 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -2.640 -25.298 23.695 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -3.801 -24.968 24.665 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -0.464 -31.381 26.399 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -0.250 -32.321 26.413 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 0.255 -30.982 25.860 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -5.687 -27.397 23.400 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -6.548 -27.747 23.084 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -5.298 -26.961 22.601 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -6.959 -17.077 19.364 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -7.833 -17.464 19.293 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -6.868 -16.542 18.547 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -7.883 -12.837 19.888 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -7.262 -13.483 19.532 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -8.262 -12.407 19.095 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -8.574 -29.951 17.498 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -8.959 -30.819 17.308 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -8.226 -30.040 18.415 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -9.236 -30.811 13.513 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -9.527 -30.020 14.014 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -9.008 -31.459 14.210 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -8.042 -12.471 13.579 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -7.090 -12.539 13.814 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -8.041 -12.347 12.605 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -8.027 -32.986 23.888 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -7.827 -33.832 24.337 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -8.718 -33.219 23.243 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -2.813 -14.156 26.597 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -2.364 -14.995 26.334 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -3.482 -14.445 27.260 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -7.859 -25.621 26.484 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -7.038 -25.454 25.984 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -7.883 -26.598 26.580 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -4.099 -33.549 29.508 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -4.213 -32.925 30.231 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -3.672 -33.013 28.797 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -6.418 -24.660 28.674 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -7.112 -24.788 28.003 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -6.418 -25.498 29.175 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -6.983 -13.561 26.926 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -7.746 -13.083 27.267 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -7.298 -13.935 26.064 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -6.837 -27.325 29.296 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -7.119 -27.722 28.445 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -7.387 -27.760 29.953 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -2.638 -21.721 27.793 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -1.980 -22.376 28.060 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -3.449 -22.245 27.646 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -4.777 -23.365 26.936 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -5.282 -23.631 27.740 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -4.889 -24.125 26.329 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -2.879 -31.696 27.861 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -1.972 -31.770 27.513 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -3.175 -30.824 27.556 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.301 -29.134 26.677 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -1.608 -29.811 26.539 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.603 -28.907 25.760 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 3.582 -8.413 4.161 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 2.971 -7.723 4.515 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 3.917 -8.032 3.324 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -2.462 -13.170 -6.350 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -2.201 -12.328 -6.745 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -3.265 -13.436 -6.858 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -7.173 -6.894 8.532 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -6.192 -6.856 8.432 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -7.506 -6.541 7.700 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 1.739 -7.074 5.542 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 2.066 -7.152 6.461 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 0.858 -7.504 5.564 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -3.308 -8.724 10.338 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -4.207 -8.994 10.634 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -3.314 -7.749 10.418 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -5.308 -12.237 11.044 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -4.960 -13.024 10.599 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -6.277 -12.369 11.042 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -3.388 -5.925 10.512 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -2.499 -5.805 10.919 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -3.934 -5.250 10.936 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -1.822 -9.257 7.978 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -1.661 -10.137 8.373 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -2.515 -8.868 8.545 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -1.402 -12.750 6.352 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -0.945 -13.610 6.250 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -1.802 -12.799 7.239 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -0.850 -10.780 4.351 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 0.123 -10.721 4.220 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -0.955 -11.394 5.106 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 0.665 -11.583 -0.048 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 0.311 -12.246 -0.680 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -0.035 -11.519 0.643 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -4.621 -14.763 9.715 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -4.481 -15.431 10.424 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -3.718 -14.399 9.540 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -7.097 -0.807 16.575 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -7.140 -0.356 15.708 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -7.429 -0.125 17.211 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -8.053 -2.798 18.178 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -7.926 -2.113 17.492 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -8.912 -3.224 17.938 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -7.958 1.272 18.070 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -7.320 2.025 18.045 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -8.544 1.486 18.802 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -3.639 -11.826 17.974 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -2.905 -12.133 18.547 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -3.905 -10.973 18.376 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -10.876 -6.545 13.742 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -11.690 -6.751 13.270 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -11.148 -5.877 14.416 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -4.064 -9.437 19.178 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -4.603 -9.087 19.925 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -3.138 -9.201 19.418 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -6.500 2.748 12.599 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -5.776 3.323 12.870 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -6.394 2.665 11.646 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -5.979 3.137 18.003 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -5.493 3.950 18.160 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -5.286 2.483 17.767 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -5.647 -7.806 20.632 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -4.988 -7.165 20.975 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -6.507 -7.366 20.790 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -4.971 -3.425 25.330 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -4.069 -3.719 25.603 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -5.265 -2.869 26.054 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -8.829 -4.826 13.109 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -9.190 -4.112 13.651 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -9.463 -5.565 13.237 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -8.715 -6.662 10.899 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -8.687 -5.825 11.393 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -8.162 -6.497 10.113 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -1.626 -2.398 19.933 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -1.256 -1.607 19.516 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -0.929 -3.080 19.814 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -4.859 -1.464 18.094 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -5.750 -1.420 17.690 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -4.897 -2.242 18.675 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -4.003 -5.774 21.400 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -3.963 -5.057 20.735 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -4.599 -5.419 22.098 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -3.688 -5.423 15.161 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -3.939 -5.710 14.275 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -4.253 -4.638 15.326 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -1.884 -7.311 22.197 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -2.641 -6.760 21.886 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -2.254 -8.222 22.238 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -5.888 -4.744 23.097 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -5.573 -4.507 23.999 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -6.114 -3.882 22.693 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -5.294 -3.161 15.185 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -5.856 -2.516 15.644 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -4.550 -2.623 14.834 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -8.074 -9.227 9.924 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -8.580 -8.627 10.508 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -7.799 -8.654 9.185 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -6.136 -5.162 13.461 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -7.097 -5.011 13.320 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -5.861 -4.414 14.032 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -8.409 -3.358 20.839 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -7.646 -2.909 21.262 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -8.352 -3.088 19.896 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -10.412 -4.058 17.963 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -10.207 -4.901 18.413 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -11.229 -3.735 18.412 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -6.372 -4.854 18.632 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -6.987 -4.108 18.468 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -5.550 -4.426 18.934 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -11.490 -4.542 15.475 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -10.879 -4.492 16.242 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -12.238 -3.997 15.737 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -12.664 -3.134 19.175 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -13.344 -2.497 19.408 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -12.217 -3.332 20.031 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -3.447 -2.139 22.008 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -2.763 -2.167 21.308 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -2.962 -2.323 22.821 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -5.733 -9.560 11.265 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -6.561 -9.528 10.737 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -5.504 -10.519 11.293 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -6.163 -2.246 21.940 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -5.179 -2.229 21.850 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -6.367 -1.433 22.415 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -13.004 -0.539 22.459 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -13.786 0.004 22.231 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -12.973 -0.514 23.415 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -7.440 1.048 14.500 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -7.222 1.639 13.741 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -8.192 1.478 14.925 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -7.693 -5.978 21.243 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -8.043 -5.080 21.051 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -7.184 -5.857 22.066 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -6.822 -7.874 13.122 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -6.677 -6.967 12.798 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -6.444 -8.446 12.419 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -8.676 -6.031 16.265 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -8.960 -6.863 15.843 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -8.862 -6.169 17.218 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -11.142 -3.495 21.357 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -11.284 -2.809 22.018 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -10.170 -3.522 21.243 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -9.776 -10.949 15.095 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -9.226 -11.395 14.419 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -9.613 -9.993 14.944 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -2.851 -9.946 22.258 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -3.518 -9.957 22.991 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -3.162 -10.628 21.644 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -15.255 1.053 22.186 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -15.250 2.004 22.039 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -16.178 0.800 22.081 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -4.774 0.398 14.713 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -5.700 0.633 14.508 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -4.629 0.763 15.606 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -3.856 -3.930 19.292 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -3.092 -3.355 19.511 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -3.465 -4.651 18.743 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -4.187 1.123 17.333 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -4.523 0.286 17.714 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -3.239 0.959 17.208 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -3.069 -1.705 14.383 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -3.596 -0.897 14.196 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -2.626 -1.504 15.231 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -4.483 -6.640 8.109 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -4.030 -6.326 8.920 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -3.794 -6.623 7.435 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -2.555 -4.314 26.170 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -2.216 -4.547 27.036 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -2.024 -4.864 25.549 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -1.073 -6.018 24.625 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -1.497 -6.491 23.887 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -0.135 -6.281 24.568 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -1.689 -10.968 10.130 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -1.037 -10.962 10.852 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -2.317 -10.253 10.367 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -0.518 -10.968 23.276 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -1.363 -10.577 22.960 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -0.756 -11.398 24.125 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -4.528 -9.971 24.376 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -5.027 -9.289 24.834 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -4.597 -10.757 24.966 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -9.178 -6.488 18.898 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -9.598 -7.325 19.125 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -8.600 -6.293 19.666 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -8.646 -12.037 17.333 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -9.089 -11.374 16.760 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -8.775 -12.881 16.855 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -9.075 -8.339 14.646 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -9.756 -7.771 14.223 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -8.291 -8.249 14.062 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 13.980 -55.747 -12.310 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 14.208 -56.442 -12.940 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 14.444 -54.947 -12.661 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 10.630 -52.994 -12.560 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 10.491 -52.267 -13.200 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 10.103 -53.732 -12.917 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 7.027 -51.490 -11.550 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 7.304 -51.116 -12.415 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 6.106 -51.162 -11.436 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.826 -50.218 -15.512 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 1.769 -49.365 -16.005 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 2.534 -50.699 -15.956 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 15.347 -52.854 -8.983 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 15.185 -52.508 -9.890 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 16.227 -52.490 -8.742 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 8.354 -53.274 -10.056 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 8.048 -54.088 -10.499 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 7.957 -52.546 -10.597 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 7.051 -55.196 -11.601 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 6.769 -55.901 -10.963 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 6.230 -54.748 -11.836 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 7.507 -52.100 -7.585 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 6.616 -52.241 -7.188 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 7.414 -52.415 -8.500 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 7.716 -50.325 -13.904 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 7.611 -49.396 -14.188 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 8.665 -50.519 -14.057 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 9.368 -55.540 -12.902 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 8.541 -55.392 -12.382 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 9.081 -56.071 -13.652 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 14.620 -52.072 -11.473 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 14.842 -52.713 -12.176 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 14.618 -51.204 -11.935 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 4.507 -50.474 -11.573 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 3.815 -51.029 -11.142 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 4.051 -50.081 -12.348 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 2.180 -49.829 -8.380 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 2.356 -48.867 -8.389 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 2.160 -50.050 -7.433 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 5.311 -55.689 -6.217 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 6.262 -55.901 -6.265 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 5.072 -55.484 -7.128 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 11.424 -57.069 -11.829 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 12.233 -56.541 -11.936 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 10.713 -56.488 -12.171 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 6.321 -56.931 -9.707 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 5.590 -57.523 -9.422 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 6.848 -56.798 -8.895 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 10.851 -58.763 -9.773 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 11.007 -58.144 -10.529 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 10.832 -59.634 -10.184 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 -6.100 -49.205 -20.023 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 -5.981 -50.012 -19.494 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 -5.190 -48.869 -20.148 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 -3.499 -48.344 -19.936 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 -3.043 -49.139 -19.591 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -3.508 -47.726 -19.170 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 14.194 -51.441 -17.111 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 13.715 -50.706 -16.666 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 14.899 -51.002 -17.596 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 15.259 -53.724 -13.570 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 14.749 -53.812 -14.411 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 15.957 -53.064 -13.785 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 13.153 -54.038 -8.045 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 13.999 -53.684 -8.425 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 13.104 -54.946 -8.393 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 11.858 -54.376 -10.657 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 11.427 -53.851 -11.376 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 12.761 -54.520 -10.983 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 0.201 -53.031 -10.854 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 0.606 -53.841 -10.497 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 0.946 -52.397 -10.896 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 5.242 -49.659 -15.842 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 5.759 -50.464 -15.701 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 5.855 -48.936 -15.581 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 -0.799 -50.615 -16.166 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 0.064 -50.622 -15.701 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 -1.456 -50.459 -15.447 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 3.574 -49.031 -13.718 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 2.667 -49.289 -13.967 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 4.095 -49.190 -14.532 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 7.220 -46.461 -17.507 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 6.543 -46.973 -17.998 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 6.706 -45.988 -16.822 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 10.388 -50.857 -14.311 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 10.898 -50.174 -13.811 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 10.794 -50.857 -15.188 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 13.850 -53.836 -15.884 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 13.210 -54.250 -16.466 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 14.048 -52.973 -16.320 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 -2.395 -50.344 -18.420 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 -1.986 -50.579 -17.558 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 -3.276 -50.781 -18.394 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 13.393 -51.921 -6.417 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 13.308 -52.571 -7.141 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 14.362 -51.762 -6.350 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 9.053 -56.716 -3.819 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 8.378 -56.451 -3.164 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 8.632 -57.455 -4.310 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 7.622 -55.796 -1.592 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 8.364 -55.752 -0.980 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 6.892 -56.180 -1.054 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 5.887 -59.421 3.175 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 5.789 -58.441 3.107 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 6.259 -59.562 4.072 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 2.099 -61.916 0.916 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 3.002 -61.579 1.124 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 1.864 -62.448 1.685 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 4.134 -58.654 -3.686 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 3.661 -59.197 -3.032 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 4.432 -57.876 -3.175 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 2.319 -61.466 -1.848 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 3.079 -61.825 -2.360 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 2.349 -61.950 -1.003 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 4.417 -58.454 -8.562 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 3.585 -57.942 -8.474 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 4.609 -58.756 -7.651 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 15.890 -62.191 3.658 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 15.368 -62.003 4.456 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 15.265 -62.023 2.925 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 4.659 -62.145 -3.164 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 5.489 -62.618 -2.944 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 4.895 -61.591 -3.916 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 0.635 -55.182 -5.300 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 1.352 -55.852 -5.280 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 0.863 -54.570 -4.569 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 5.409 -59.292 -6.091 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 4.831 -59.144 -5.314 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 6.305 -59.053 -5.767 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 15.055 -59.066 1.000 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 14.636 -58.624 0.239 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 14.940 -58.420 1.741 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 10.867 -54.864 -4.682 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 10.226 -55.544 -4.363 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 10.355 -54.344 -5.340 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 7.874 -56.384 -7.490 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 8.591 -55.948 -7.993 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 8.221 -57.286 -7.319 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 3.429 -57.875 1.615 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 4.317 -57.530 1.382 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 3.409 -57.836 2.593 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 -0.236 -57.805 -8.250 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 -0.875 -58.219 -8.835 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 -0.785 -57.292 -7.617 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 16.067 -52.163 -5.937 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 16.602 -51.886 -6.716 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 16.544 -52.930 -5.587 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 17.978 -60.323 3.340 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 17.394 -61.066 3.596 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 18.067 -60.413 2.375 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 14.210 -61.620 1.511 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 13.284 -61.536 1.834 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 14.473 -60.695 1.302 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 9.032 -58.862 -7.625 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 8.317 -59.432 -7.995 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 9.712 -58.847 -8.328 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 6.372 -62.848 2.722 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 5.837 -63.561 3.078 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 5.738 -62.300 2.218 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 6.780 -60.146 -8.445 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 6.213 -60.039 -7.659 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.188 -59.967 -9.188 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 7.951 -58.911 -5.110 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 8.145 -59.748 -4.621 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 8.483 -58.986 -5.932 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 7.381 -59.332 5.486 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 7.752 -58.529 5.063 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 8.127 -59.973 5.482 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 8.500 -61.270 -3.903 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 9.170 -61.533 -3.246 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 7.814 -61.952 -3.822 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 3.945 -57.128 4.377 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 4.655 -56.775 3.798 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 4.286 -57.003 5.270 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 9.461 -62.486 -1.582 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 9.267 -61.770 -0.939 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 10.351 -62.807 -1.313 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 7.119 -63.425 -2.756 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 7.898 -63.172 -2.208 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 7.235 -64.369 -2.908 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 4.648 -61.102 1.437 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 5.154 -60.761 0.680 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 4.906 -60.509 2.183 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 6.580 -53.197 -1.840 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 6.970 -54.076 -2.023 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 6.889 -52.984 -0.951 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 9.574 -53.511 -6.660 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 9.503 -54.287 -7.250 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 8.750 -52.995 -6.842 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 7.375 -58.288 8.034 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 6.917 -57.449 7.780 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 7.273 -58.860 7.249 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 10.220 -55.392 -8.625 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 10.601 -55.184 -9.504 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 10.860 -56.024 -8.233 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 16.854 -51.509 -14.217 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 17.303 -50.927 -13.586 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 16.585 -50.916 -14.934 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 5.255 -52.620 -6.139 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 4.979 -53.472 -5.770 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 5.495 -52.084 -5.353 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 -1.675 -56.382 -6.430 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 -1.967 -57.050 -5.767 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 -1.016 -55.841 -5.946 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 11.544 -61.201 2.066 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 11.279 -60.266 2.161 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 10.798 -61.697 2.459 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 9.163 -60.460 0.272 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 8.282 -60.018 0.270 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 9.175 -60.960 1.118 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 11.697 -62.495 5.953 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 12.109 -63.124 6.548 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 12.450 -61.996 5.571 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 10.788 -58.364 -0.343 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 10.550 -58.161 -1.255 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 10.360 -59.237 -0.173 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 1.904 -54.363 -9.069 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 2.120 -55.264 -8.743 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 1.350 -53.977 -8.358 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 4.049 -54.035 -2.607 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 4.108 -54.979 -2.338 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 4.914 -53.659 -2.352 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 12.265 -55.926 6.988 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 11.336 -56.216 7.120 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 12.487 -56.239 6.085 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 2.917 -56.785 -5.311 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 3.771 -56.335 -5.507 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 3.170 -57.532 -4.733 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 1.608 -56.618 7.341 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 1.169 -56.443 6.491 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 0.936 -56.372 8.014 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 2.284 -56.877 -7.960 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 1.408 -57.308 -8.110 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 2.406 -56.913 -6.987 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 8.161 -57.080 4.071 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 7.344 -56.895 3.557 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 8.135 -56.417 4.808 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 6.738 -59.301 0.592 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 6.423 -58.397 0.375 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 6.567 -59.387 1.555 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 14.294 -56.203 -9.636 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 14.270 -56.084 -10.610 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 15.214 -56.017 -9.395 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 9.649 -60.831 5.204 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 10.296 -60.093 5.154 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 10.170 -61.573 5.581 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 8.925 -61.804 2.707 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 8.050 -62.256 2.742 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 9.059 -61.475 3.622 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 1.974 -65.765 3.038 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 1.442 -66.262 3.662 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 2.240 -66.412 2.382 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 1.608 -53.348 -3.436 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 2.534 -53.597 -3.183 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 1.156 -53.230 -2.592 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 16.310 -55.004 -4.382 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 17.187 -54.611 -4.140 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 16.120 -55.633 -3.646 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 13.585 -57.134 -0.304 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 12.680 -57.474 -0.173 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 13.809 -56.712 0.549 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 12.283 -57.139 -8.108 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 13.056 -56.958 -8.695 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 11.788 -57.847 -8.579 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 13.221 -56.664 -5.574 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 12.828 -56.795 -6.468 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 12.595 -57.092 -4.978 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 4.192 -56.617 -1.707 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 4.811 -56.585 -0.937 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 3.600 -57.376 -1.503 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 14.987 -57.858 6.509 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 15.436 -58.428 5.853 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 14.264 -57.435 5.996 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 17.732 -59.062 9.212 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 16.937 -58.483 9.197 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 17.378 -59.942 9.355 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 11.855 -62.667 -0.278 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 11.599 -62.152 0.513 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 12.804 -62.795 -0.177 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 13.730 -60.896 4.965 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 14.464 -60.273 4.766 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 12.924 -60.335 4.904 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 -2.668 -61.741 3.807 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 -2.540 -62.645 4.121 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 -3.589 -61.519 4.083 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 2.931 -58.902 -1.026 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 2.562 -59.791 -1.213 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 2.965 -58.856 -0.050 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 0.851 -51.356 -5.173 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 1.456 -50.598 -5.306 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 1.347 -51.963 -4.582 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 2.676 -51.929 -10.183 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 2.607 -52.792 -9.724 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 2.554 -51.266 -9.469 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 12.965 -53.020 10.189 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 12.113 -53.256 10.615 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 13.615 -53.042 10.930 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 2.488 -53.125 18.997 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 2.737 -52.398 18.399 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 3.292 -53.653 19.071 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -0.290 -53.067 18.914 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -0.645 -53.318 19.780 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 0.686 -53.188 19.008 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 12.416 -52.280 20.499 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 11.656 -52.327 19.882 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 12.003 -52.248 21.384 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 4.872 -55.960 16.586 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 5.111 -56.595 17.266 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 5.006 -55.088 17.013 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 10.596 -53.819 11.288 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 10.111 -54.382 10.634 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 10.580 -54.336 12.100 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 0.725 -52.511 22.446 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 0.407 -51.843 21.821 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 0.286 -52.278 23.286 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 -1.265 -53.655 11.778 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -2.244 -53.571 11.898 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 -0.891 -53.398 12.665 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 12.858 -50.310 16.776 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.897 -50.132 17.743 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 13.797 -50.394 16.514 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 11.679 -49.188 14.615 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 11.971 -49.612 15.456 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 10.774 -49.531 14.472 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 13.531 -52.425 14.863 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 14.300 -51.982 15.281 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 12.826 -52.340 15.522 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 9.037 -55.406 9.738 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 8.230 -55.918 9.940 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 9.381 -55.818 8.914 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 9.666 -56.758 7.416 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 9.032 -56.218 6.876 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 9.153 -57.552 7.655 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 4.249 -55.617 13.925 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 4.520 -55.831 14.845 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 3.337 -55.257 14.023 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 5.311 -53.514 17.806 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 6.186 -53.104 17.875 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 4.722 -52.778 17.536 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 10.533 -49.780 20.994 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 10.098 -49.029 21.451 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 10.527 -50.501 21.658 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 3.395 -52.142 22.762 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 2.438 -52.316 22.611 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 3.837 -52.645 22.073 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 1.090 -54.949 11.084 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 0.272 -54.437 11.253 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 0.830 -55.592 10.401 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 -2.701 -52.905 20.889 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 -3.437 -52.329 20.580 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 -3.137 -53.722 21.155 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 11.218 -51.650 22.947 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 10.368 -51.441 23.396 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 11.887 -51.573 23.651 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 9.864 -51.163 11.125 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 10.188 -52.085 11.206 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 10.657 -50.654 10.825 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 9.307 -49.454 13.195 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 9.462 -50.124 12.496 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 9.694 -48.640 12.836 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 1.744 -49.610 20.581 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 1.032 -49.792 19.937 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 1.782 -48.638 20.630 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 11.702 -59.091 4.750 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 11.197 -58.896 3.932 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 12.271 -58.294 4.873 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 0.478 -59.105 8.213 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 1.056 -58.477 7.733 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 1.092 -59.650 8.719 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 15.218 -46.624 25.751 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 14.366 -46.766 26.205 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 15.275 -47.365 25.114 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 1.845 -54.403 13.654 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 1.114 -53.803 13.937 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 1.571 -54.706 12.764 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 7.036 -53.514 10.006 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 7.233 -52.699 9.503 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 7.825 -54.073 9.872 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 12.062 -49.687 10.610 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 12.699 -49.584 9.889 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 12.613 -49.920 11.388 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 -0.277 -56.632 9.308 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 -0.910 -56.542 10.055 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 -0.296 -57.583 9.095 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 6.422 -49.705 22.158 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 5.703 -49.931 21.525 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 7.059 -49.210 21.621 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 10.120 -51.755 19.016 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 9.402 -51.607 18.388 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 10.135 -50.948 19.565 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.952 -51.610 8.031 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 11.104 -52.039 7.777 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 12.292 -52.170 8.759 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 13.541 -51.184 24.544 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 14.078 -50.621 23.961 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 14.108 -51.939 24.732 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 15.586 -51.375 7.614 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 16.311 -50.911 8.074 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 14.824 -50.773 7.703 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 14.436 -53.415 12.454 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 14.144 -53.224 13.369 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 15.328 -53.793 12.560 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 1.934 -48.144 23.477 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 2.663 -48.797 23.537 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 1.810 -47.839 24.401 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 -1.835 -56.454 11.540 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 -1.860 -55.479 11.541 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 -1.658 -56.685 12.485 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 -1.791 -60.329 7.154 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 -1.566 -60.232 6.205 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 -1.015 -59.960 7.618 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 13.287 -49.946 19.442 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 14.179 -49.751 19.806 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 13.052 -50.818 19.838 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 9.471 -52.739 7.513 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 8.712 -52.182 7.760 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 9.092 -53.419 6.933 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 3.769 -55.511 8.856 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 4.579 -55.678 8.321 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 3.043 -55.847 8.298 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 6.472 -56.449 10.208 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 6.549 -57.412 10.144 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 6.306 -56.162 9.278 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 10.269 -58.641 2.504 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 10.280 -58.347 1.576 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 9.551 -58.119 2.914 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 15.498 -57.482 9.100 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 15.280 -57.729 8.166 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 14.879 -56.749 9.300 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 15.692 -49.036 20.314 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 16.496 -49.171 20.863 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 15.915 -48.284 19.755 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 18.085 -48.708 21.585 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 18.217 -48.675 22.536 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 18.196 -47.781 21.292 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 17.246 -54.317 12.458 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 17.773 -55.083 12.171 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 17.247 -53.719 11.673 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 13.945 -55.205 8.952 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 13.252 -55.502 8.308 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 13.514 -54.475 9.446 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 -4.955 -53.076 18.196 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 -4.866 -52.386 18.883 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 -4.030 -53.258 17.918 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 11.197 -46.512 14.500 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 11.514 -47.440 14.538 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 10.517 -46.521 13.795 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 4.460 -49.807 20.205 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 4.302 -49.109 19.548 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 3.561 -50.033 20.525 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 8.794 -50.536 23.729 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 7.921 -50.448 23.303 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 8.776 -49.877 24.449 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 9.285 -48.512 25.640 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 10.203 -48.779 25.412 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 9.154 -47.670 25.158 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 1.297 -47.481 26.056 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 1.879 -48.187 26.397 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 0.873 -47.110 26.860 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 9.591 -47.426 22.156 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 8.821 -47.486 21.566 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 9.247 -46.970 22.954 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 12.818 -48.942 22.378 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 12.275 -48.774 23.176 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 12.219 -49.430 21.782 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 13.397 -50.332 12.887 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 13.481 -51.211 13.300 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 12.807 -49.835 13.500 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 6.285 -42.832 -18.779 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 5.788 -42.613 -19.588 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 5.611 -43.230 -18.191 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 0.125 -42.285 -20.678 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 -0.444 -42.608 -19.955 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 0.819 -41.763 -20.225 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 2.353 -41.034 -19.622 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 2.556 -40.069 -19.661 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 3.122 -41.457 -20.055 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 9.661 -35.510 -20.783 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 9.007 -36.155 -20.444 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 10.439 -36.043 -20.974 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 8.132 -35.741 -14.401 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 8.300 -36.483 -14.985 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 8.532 -34.974 -14.866 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 15.770 -46.406 -16.400 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 15.615 -46.213 -15.448 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 15.756 -45.530 -16.824 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 9.662 -41.678 -16.203 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 9.335 -42.037 -15.362 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 9.334 -42.314 -16.873 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 1.995 -45.345 -18.582 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 1.578 -44.978 -17.787 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 1.232 -45.574 -19.162 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 2.124 -42.232 -17.191 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 2.181 -41.798 -18.073 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 1.521 -41.671 -16.693 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 13.609 -43.081 -15.088 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 14.491 -42.836 -14.738 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 13.213 -43.631 -14.376 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 13.167 -49.289 -15.777 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 12.689 -48.991 -14.983 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 14.095 -49.035 -15.606 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 14.947 -34.608 -11.870 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 14.927 -33.648 -11.836 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 14.209 -34.885 -11.286 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 16.732 -39.683 -12.659 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 16.296 -38.838 -12.428 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 16.668 -39.727 -13.631 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 12.890 -44.916 -13.179 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 12.669 -45.540 -12.447 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 13.714 -45.284 -13.559 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 3.017 -38.363 -19.610 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 2.489 -37.618 -19.266 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 3.914 -37.993 -19.707 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 6.460 -35.953 -10.576 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 6.202 -36.751 -10.110 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 7.424 -35.878 -10.411 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 0.899 -30.495 -19.800 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 0.375 -31.242 -19.456 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 0.420 -30.217 -20.609 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 1.687 -47.988 -17.042 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 2.381 -47.544 -17.558 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 0.973 -48.152 -17.691 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 7.079 -47.798 -15.051 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 7.543 -47.545 -15.873 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 6.624 -46.977 -14.777 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 4.388 -42.624 -20.870 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 4.551 -42.483 -21.808 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 4.063 -43.552 -20.820 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 0.653 -45.970 -26.367 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 0.514 -45.708 -27.279 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -0.256 -46.062 -26.000 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 12.311 -40.962 -16.124 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 12.774 -41.749 -15.754 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 11.365 -41.229 -16.139 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 4.866 -47.916 -18.063 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 4.843 -48.613 -17.385 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 4.216 -48.216 -18.737 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 1.103 -44.155 -22.372 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 0.738 -43.382 -21.880 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 1.876 -44.431 -21.840 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 8.346 -43.823 -14.596 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 8.582 -44.059 -15.513 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 8.951 -44.366 -14.042 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 14.904 -35.145 -7.987 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 14.944 -34.189 -7.854 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 15.143 -35.516 -7.108 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 8.440 -43.865 -17.442 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 7.760 -43.403 -17.987 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 8.290 -44.812 -17.630 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 3.289 -45.141 -20.936 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 2.928 -45.264 -20.029 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 3.355 -46.042 -21.287 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 4.260 -43.984 -17.357 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 3.561 -43.305 -17.218 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 3.794 -44.712 -17.805 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 16.495 -39.664 -15.452 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 15.577 -39.326 -15.570 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 17.046 -39.005 -15.885 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 13.930 -38.739 -15.603 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 13.612 -38.224 -14.828 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 13.311 -39.495 -15.657 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 11.203 -34.880 -12.059 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 11.479 -35.490 -12.759 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 11.886 -34.989 -11.363 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 15.608 -37.258 -11.847 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 15.858 -37.372 -10.908 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 15.556 -36.282 -11.963 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 9.672 -39.008 -17.821 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 9.566 -39.809 -17.282 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 10.630 -38.985 -18.030 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 8.275 -37.772 -19.841 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 8.736 -38.065 -19.018 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 8.265 -38.560 -20.396 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 5.590 -37.057 -19.533 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 6.516 -37.344 -19.683 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 5.480 -37.107 -18.555 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 7.937 -33.295 -18.321 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 7.133 -33.684 -18.738 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 8.529 -33.107 -19.080 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 12.425 -39.142 -18.133 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 12.447 -39.916 -17.533 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 13.087 -38.542 -17.766 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 10.164 -32.250 -11.711 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 9.940 -32.488 -10.797 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 10.487 -33.084 -12.099 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 12.035 -49.013 -13.214 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 12.923 -49.399 -13.049 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 12.005 -48.224 -12.625 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 10.184 -45.194 -13.037 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 10.384 -46.023 -12.580 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 11.064 -44.808 -13.221 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 2.818 -48.896 -19.582 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 2.454 -48.603 -20.448 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 2.159 -49.542 -19.251 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 -0.838 -32.791 -18.740 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 -1.470 -33.063 -19.435 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 -0.834 -33.547 -18.119 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 10.156 -37.377 -8.519 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 9.778 -36.783 -9.201 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 11.035 -37.620 -8.872 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 13.187 -37.593 -13.215 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 14.047 -37.365 -12.811 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 12.910 -38.404 -12.739 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 5.927 -45.177 -15.448 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 5.315 -44.649 -16.007 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 6.499 -44.511 -15.022 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 4.959 -47.736 -11.569 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 4.592 -47.803 -12.472 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 5.019 -48.666 -11.273 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 2.342 -47.172 -10.675 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 2.399 -47.033 -9.713 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 3.270 -47.255 -10.961 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 -2.539 -34.273 -20.326 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 -2.744 -34.345 -21.262 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 -1.962 -35.049 -20.146 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 14.940 -39.863 -9.838 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 15.540 -39.137 -9.564 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 15.527 -40.629 -9.949 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 -0.641 -36.343 -20.205 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 -0.338 -36.929 -20.905 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 0.150 -36.215 -19.640 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 12.912 -39.860 -11.676 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 13.754 -39.841 -11.164 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 12.578 -40.765 -11.540 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 15.499 -42.822 -10.276 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 14.589 -42.546 -10.498 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 15.900 -43.050 -11.148 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 15.177 -43.768 -17.265 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 14.514 -43.568 -16.569 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 14.668 -43.779 -18.081 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 16.265 -42.363 -15.078 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 16.268 -42.764 -15.968 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 16.474 -41.417 -15.239 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 1.933 -46.263 -23.967 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 1.632 -46.219 -24.903 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 1.648 -45.412 -23.586 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 -2.504 -50.159 -14.065 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 -3.379 -49.909 -13.728 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 -2.016 -50.450 -13.264 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 9.756 -28.055 -12.420 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 9.849 -27.854 -13.378 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 10.060 -27.247 -11.983 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 8.286 -31.233 -14.985 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 8.455 -32.177 -15.162 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 8.052 -30.864 -15.862 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 7.034 -34.047 -12.500 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 7.401 -34.668 -13.159 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 6.675 -34.627 -11.801 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 1.695 -36.024 -18.760 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 2.145 -35.197 -18.967 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 1.426 -35.921 -17.820 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 5.880 -34.352 -19.768 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 5.369 -34.135 -20.551 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 5.792 -35.325 -19.684 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 1.672 -48.001 -21.897 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 1.915 -47.403 -22.641 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 0.858 -48.417 -22.190 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 0.651 -49.386 -10.682 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 1.121 -48.560 -10.920 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 1.027 -49.630 -9.816 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 9.144 -35.504 -10.268 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 9.687 -35.361 -11.071 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 9.134 -34.627 -9.830 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 16.206 -37.566 -9.011 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 15.899 -36.719 -8.639 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 16.762 -37.956 -8.296 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 14.778 -38.273 -5.214 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 14.062 -38.268 -4.540 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 15.118 -39.183 -5.195 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 15.916 -33.002 -5.982 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 15.058 -32.874 -5.509 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 16.119 -33.951 -5.851 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 12.857 -38.130 -3.219 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 11.886 -38.075 -3.194 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 13.075 -38.881 -2.623 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 13.086 -35.462 -10.071 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 13.650 -35.277 -9.290 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 12.821 -36.400 -9.952 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 12.603 -38.127 -9.561 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 13.363 -38.565 -9.136 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 12.460 -38.645 -10.379 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 16.437 -40.718 -5.075 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 16.222 -40.539 -4.132 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 17.114 -41.408 -5.030 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 16.162 -40.386 -2.412 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 15.216 -40.279 -2.114 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 16.501 -41.104 -1.862 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 17.868 -50.382 8.808 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 18.607 -49.981 8.283 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 17.328 -49.607 9.091 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 15.037 -43.791 19.745 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 15.298 -43.770 18.799 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 15.548 -43.062 20.144 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 15.102 -37.549 22.576 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 15.492 -38.091 21.859 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 14.501 -36.924 22.110 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 16.964 -41.727 19.933 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 17.826 -42.168 20.059 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 16.973 -41.455 18.991 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 4.129 -37.954 25.684 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 4.059 -38.217 24.735 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 3.286 -38.261 26.080 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 15.898 -48.669 9.439 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 15.724 -48.887 10.381 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 15.044 -48.836 8.992 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 19.115 -35.074 24.329 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 19.778 -35.754 24.201 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 18.261 -35.566 24.331 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 14.303 -42.273 26.732 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 13.952 -42.700 25.927 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 15.171 -42.669 26.850 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 11.561 -45.060 22.727 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 11.085 -44.681 23.484 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 11.032 -45.831 22.472 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 15.844 -29.611 24.723 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 14.902 -29.572 24.975 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 16.049 -30.570 24.716 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 13.644 -35.467 21.602 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 13.855 -34.796 22.286 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 12.658 -35.492 21.590 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 16.793 -36.479 24.360 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 16.132 -36.085 24.964 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 16.249 -36.891 23.654 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 11.573 -32.569 23.522 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 11.390 -31.617 23.440 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 11.132 -32.968 22.732 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 1.776 -30.672 24.909 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 2.361 -30.005 25.282 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 2.344 -31.479 24.842 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 1.416 -35.803 26.647 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 1.603 -36.760 26.766 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 2.247 -35.440 26.310 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 9.076 -35.638 23.693 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 8.657 -36.459 23.391 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 9.770 -35.452 23.001 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 6.671 -37.006 23.227 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 6.748 -36.180 22.735 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 5.730 -37.264 23.103 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 6.734 -40.615 25.597 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 6.660 -40.670 24.635 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 7.082 -39.709 25.758 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 9.064 -41.964 26.375 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 8.172 -41.628 26.150 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 9.636 -41.159 26.351 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 14.692 -39.366 24.573 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 14.638 -38.669 23.888 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 15.480 -39.876 24.329 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 6.928 -44.924 25.751 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 6.687 -44.289 25.036 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 6.068 -45.113 26.204 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 12.851 -47.498 27.091 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 13.239 -47.737 27.940 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 11.930 -47.217 27.319 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 2.451 -46.349 29.576 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 3.126 -46.941 29.180 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 2.116 -46.852 30.353 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 4.123 -49.830 23.926 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 3.871 -50.699 23.522 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 4.968 -49.604 23.489 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 10.304 -46.966 27.781 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 9.726 -47.547 27.252 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 9.801 -46.126 27.850 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 15.733 -28.487 20.900 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 16.288 -28.669 20.135 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 16.360 -28.474 21.653 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 9.067 -30.852 21.903 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 9.567 -31.590 21.469 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 8.204 -31.246 22.105 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 12.233 -37.721 28.351 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 12.716 -38.377 27.800 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 12.148 -38.150 29.206 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 13.826 -33.675 18.380 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 13.425 -33.264 19.152 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 13.497 -34.597 18.402 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 17.299 -39.957 23.677 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 17.509 -39.126 24.124 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 17.116 -39.690 22.748 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 18.024 -42.685 23.412 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 17.765 -41.754 23.575 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 17.303 -43.209 23.822 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 15.481 -50.922 16.070 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 16.088 -51.004 16.815 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 16.055 -50.621 15.326 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 15.154 -48.399 23.622 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 14.342 -48.653 23.135 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 15.509 -47.643 23.110 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 17.167 -46.863 11.834 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 17.242 -46.906 10.872 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 16.557 -47.601 12.058 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 2.210 -46.772 21.156 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 2.266 -45.848 21.415 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 2.146 -47.257 22.010 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 15.819 -46.087 22.265 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 16.634 -46.006 21.724 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 15.904 -45.379 22.934 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 12.167 -45.116 16.638 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 13.011 -44.809 16.288 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 11.761 -45.606 15.888 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 14.978 -43.703 14.722 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 14.421 -43.409 13.980 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 15.766 -44.095 14.291 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 13.560 -49.482 8.094 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 12.914 -50.237 8.023 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 13.291 -48.877 7.390 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 4.189 -47.954 28.163 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 3.777 -48.607 27.551 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 5.115 -48.224 28.207 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 3.021 -49.682 26.414 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 2.576 -50.539 26.442 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 3.487 -49.683 25.541 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 11.887 -49.052 25.025 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 12.427 -49.870 25.038 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 12.314 -48.473 25.692 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 14.800 -35.241 25.905 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 14.151 -35.643 26.500 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 15.318 -34.637 26.484 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 -2.859 -38.874 30.462 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 -2.916 -37.902 30.336 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 -3.699 -39.207 30.109 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 6.546 -43.480 23.487 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 6.551 -42.670 22.941 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 6.780 -44.191 22.858 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 13.332 -39.719 26.864 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 13.807 -39.470 26.034 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 13.623 -40.643 27.032 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 8.964 -46.079 24.421 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 9.576 -45.345 24.622 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 8.119 -45.809 24.854 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 4.660 -45.445 27.025 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 4.127 -44.785 27.523 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 4.379 -46.303 27.390 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 0.046 -46.356 28.236 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 0.851 -46.354 28.797 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 -0.183 -45.403 28.146 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 3.186 -43.854 28.641 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 2.885 -44.645 29.133 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 2.531 -43.165 28.872 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 10.612 -44.012 25.225 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 10.155 -43.144 25.265 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 10.429 -44.411 26.100 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 -1.598 -40.885 25.359 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 -1.126 -40.523 26.138 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 -1.410 -41.844 25.387 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 10.629 -39.777 26.251 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 10.427 -38.823 26.238 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 11.591 -39.815 26.424 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 5.918 -37.580 27.686 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 6.733 -37.762 27.178 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 5.202 -37.700 27.029 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 4.930 -38.331 30.074 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 5.449 -37.911 30.763 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 5.334 -38.003 29.234 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 1.787 -38.510 26.939 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 0.859 -38.833 26.981 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 2.241 -39.004 27.660 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 3.140 -39.964 28.807 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 3.713 -40.448 28.166 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 3.774 -39.424 29.336 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 -0.857 -43.539 25.108 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 0.012 -43.215 24.771 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 -0.861 -44.497 24.862 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 6.895 -34.153 24.760 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 6.084 -34.675 24.940 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 7.610 -34.819 24.737 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 14.081 -33.752 23.670 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 14.089 -34.388 24.417 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 13.179 -33.364 23.692 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 4.368 -41.415 26.837 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 5.243 -41.191 26.450 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 4.442 -42.352 27.069 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 7.745 -38.035 25.682 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 8.604 -37.600 25.872 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 7.440 -37.617 24.852 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 1.288 -41.917 29.155 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 1.981 -41.231 29.014 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 0.562 -41.430 29.598 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 9.001 -44.545 27.439 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 8.161 -44.739 26.964 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 9.066 -43.568 27.408 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 -1.203 -35.460 27.389 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 -1.087 -35.639 28.331 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 -0.294 -35.535 27.017 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 13.308 -43.743 24.535 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 12.442 -43.730 24.987 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 13.112 -44.151 23.669 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 1.042 -47.717 31.442 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 0.107 -47.713 31.205 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 1.053 -48.003 32.361 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 11.002 -34.639 25.346 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 11.281 -33.832 24.875 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 10.296 -35.012 24.776 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 4.370 -35.321 25.004 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 4.408 -36.182 25.470 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 4.219 -35.572 24.056 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 4.175 -21.456 -16.090 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 4.758 -20.699 -16.174 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 4.777 -22.229 -16.127 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 7.827 -30.638 -17.624 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 8.670 -30.466 -18.100 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 7.627 -31.575 -17.829 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 5.707 -28.077 -20.740 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 6.467 -27.472 -20.860 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 5.562 -28.454 -21.634 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 -3.658 -25.849 -15.693 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 -3.008 -26.281 -16.298 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 -3.717 -24.945 -16.019 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 8.198 -21.449 -17.145 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 8.568 -20.820 -16.481 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 8.259 -20.972 -17.978 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 7.020 -28.122 -18.221 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 7.213 -29.063 -18.000 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 6.421 -28.177 -18.994 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 7.056 -20.943 -11.970 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 6.534 -20.127 -11.858 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 7.617 -20.973 -11.186 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 13.043 -24.743 -11.495 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 13.417 -25.593 -11.178 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 12.178 -24.997 -11.889 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 8.250 -24.189 -17.839 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 7.429 -24.271 -17.324 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 8.544 -23.277 -17.671 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 5.759 -18.494 -11.397 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 5.638 -17.718 -10.802 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 4.885 -18.906 -11.425 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 5.085 -16.387 -9.731 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 4.151 -16.087 -9.663 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 5.596 -15.670 -9.293 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 1.724 -17.469 -15.075 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 1.639 -17.968 -15.922 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 1.867 -16.562 -15.351 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 7.922 -17.585 -12.871 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 7.188 -17.980 -12.349 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 7.486 -16.867 -13.386 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 12.940 -22.281 -12.713 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 13.065 -23.172 -12.310 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 13.750 -22.135 -13.216 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 1.506 -21.118 -15.875 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 1.409 -20.662 -15.014 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 2.472 -21.317 -15.936 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 9.934 -27.131 -14.962 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 10.386 -27.613 -15.695 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 9.018 -27.014 -15.287 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 6.335 -23.171 -16.079 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 6.703 -23.261 -15.175 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 6.913 -22.505 -16.505 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 10.663 -25.254 -12.858 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 10.503 -25.749 -13.687 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 10.338 -24.356 -13.050 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 8.019 -26.573 -21.125 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 8.544 -26.527 -20.291 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 8.047 -25.673 -21.470 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 7.228 -27.229 -15.661 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 6.806 -27.971 -15.192 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 7.105 -27.447 -16.613 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 9.216 -26.570 -18.703 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 8.453 -27.120 -18.420 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 9.012 -25.674 -18.346 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 4.907 -29.010 -23.177 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 4.063 -29.116 -22.692 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 4.658 -29.075 -24.102 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 6.713 -25.697 -13.444 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 6.959 -26.011 -14.340 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 7.009 -24.762 -13.430 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 9.086 -19.443 -15.496 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 8.842 -18.518 -15.404 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 9.478 -19.675 -14.629 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 11.046 -18.539 -10.535 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 10.847 -18.388 -9.585 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 10.906 -17.665 -10.948 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 10.217 -22.368 -13.239 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 9.980 -21.426 -13.107 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 11.191 -22.382 -13.140 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 6.151 -28.349 -13.301 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 6.329 -27.381 -13.251 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 5.417 -28.490 -12.674 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 9.237 -29.040 -21.521 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 8.750 -28.205 -21.372 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 9.491 -29.002 -22.446 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 9.163 -33.762 -15.951 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 10.087 -33.623 -16.186 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 8.681 -33.676 -16.807 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 2.918 -29.077 -21.266 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 2.465 -29.649 -20.610 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 3.646 -28.667 -20.763 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 6.561 -15.548 -14.081 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 6.426 -15.071 -14.907 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 5.859 -15.227 -13.503 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 2.469 -15.467 -9.378 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 2.382 -14.690 -8.776 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 1.664 -15.444 -9.906 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 10.501 -17.760 -7.848 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 9.887 -18.431 -7.487 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 11.262 -17.777 -7.231 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 9.850 -19.617 -12.817 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 10.366 -19.384 -12.017 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 9.077 -19.018 -12.782 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 7.601 -23.084 -13.642 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 8.572 -22.933 -13.616 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.234 -22.345 -13.104 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 12.390 -20.990 -10.325 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 12.485 -21.321 -11.242 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 12.004 -20.096 -10.432 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 1.460 -18.853 -17.387 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 1.214 -19.019 -18.301 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 1.446 -19.743 -16.969 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 16.421 -30.589 -7.338 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 16.122 -31.503 -7.180 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 16.973 -30.386 -6.566 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 0.256 -28.668 -17.720 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 0.655 -29.109 -18.490 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 -0.137 -29.410 -17.201 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 0.395 -23.485 -15.001 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 0.338 -24.211 -15.665 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 0.717 -22.714 -15.516 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 -3.036 -31.362 -14.825 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 -2.966 -30.473 -14.413 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 -2.554 -31.957 -14.194 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 2.254 -17.724 -7.746 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 2.161 -16.889 -8.238 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 3.223 -17.848 -7.668 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 10.685 -28.424 -17.294 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.375 -27.695 -17.867 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 10.647 -29.210 -17.869 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 0.323 -29.250 -22.208 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 0.017 -28.443 -22.628 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 1.279 -29.099 -22.064 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 10.001 -30.367 -19.247 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.784 -29.815 -20.033 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 10.050 -31.275 -19.603 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 9.499 -32.816 -20.500 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 9.211 -32.510 -21.368 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 9.660 -33.782 -20.626 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 1.353 -26.205 -4.369 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 1.613 -26.216 -5.325 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 2.098 -26.665 -3.918 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 3.840 -22.128 -1.884 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 3.912 -23.087 -1.856 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 3.064 -21.928 -1.317 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 -0.244 -22.825 -5.493 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 -0.299 -23.536 -6.169 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 0.719 -22.709 -5.357 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 11.779 -14.408 -1.770 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 11.921 -14.967 -2.570 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 12.220 -13.553 -1.995 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 14.030 -19.731 -4.945 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 13.599 -20.589 -5.067 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 14.940 -19.959 -4.674 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 15.253 -24.048 -7.250 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 14.769 -24.895 -7.384 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 15.027 -23.522 -8.050 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 15.857 -35.823 -5.513 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 16.102 -35.692 -4.575 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 15.477 -36.736 -5.532 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 9.965 -14.389 -9.944 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 10.040 -15.087 -10.626 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 10.500 -13.668 -10.283 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 10.052 -11.839 -3.324 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 9.618 -12.357 -4.036 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 10.996 -11.901 -3.527 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 10.909 -21.149 -8.007 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 10.922 -22.041 -7.594 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 11.507 -21.231 -8.776 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 3.340 -27.830 -3.416 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 3.110 -28.650 -3.907 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 3.664 -28.145 -2.571 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 10.621 -23.561 -6.747 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 11.308 -24.234 -6.704 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 9.789 -24.072 -6.850 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 2.679 -30.271 -4.404 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 3.399 -30.928 -4.505 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 1.878 -30.813 -4.290 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 12.487 -12.353 6.323 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 12.925 -12.655 5.496 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 13.181 -11.842 6.789 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 15.993 -22.270 -5.104 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 15.647 -22.529 -5.979 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 16.387 -23.089 -4.758 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 13.934 -26.360 -7.872 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 13.995 -27.267 -7.553 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 13.788 -26.456 -8.831 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 12.535 -16.086 -3.808 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 13.475 -16.307 -3.733 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 12.260 -16.498 -4.650 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 12.738 -17.676 -6.187 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 13.121 -18.503 -5.818 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 13.365 -17.410 -6.869 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 15.153 -17.439 -3.711 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 14.490 -18.021 -4.129 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 15.918 -18.027 -3.564 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 4.868 -18.333 -7.740 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 5.124 -17.744 -8.476 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 5.629 -18.295 -7.126 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 6.907 -18.257 -5.898 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 6.616 -19.013 -5.338 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 7.720 -18.590 -6.339 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 -0.586 -15.407 6.065 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 -0.464 -15.964 6.862 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 -1.487 -15.638 5.752 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 5.727 -14.156 5.878 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 6.399 -13.602 6.329 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 5.585 -13.714 5.025 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 8.941 -19.823 -6.818 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 8.630 -20.489 -6.193 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 9.646 -20.290 -7.335 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 1.214 -18.927 4.818 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 0.480 -19.438 4.423 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 1.031 -18.946 5.772 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 3.484 -20.220 6.466 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 2.647 -19.916 6.875 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 4.152 -20.102 7.179 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 8.266 -24.953 -7.028 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 7.483 -25.325 -6.613 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 7.913 -24.366 -7.724 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 6.225 -14.346 -8.264 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 7.031 -13.878 -8.513 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 5.620 -13.634 -7.939 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 2.098 -14.884 -0.963 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 2.293 -14.731 -0.010 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 1.277 -14.370 -1.127 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 16.613 -19.946 -3.743 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 16.534 -20.786 -4.255 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 17.301 -20.131 -3.092 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 17.105 -23.781 -0.230 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 17.866 -24.151 0.257 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 17.078 -24.305 -1.057 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 14.169 -23.013 -9.555 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 13.635 -22.212 -9.710 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 13.780 -23.676 -10.156 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 13.804 -27.301 -10.527 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 14.548 -27.787 -10.095 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 13.288 -27.995 -10.953 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 -0.830 -22.708 -0.947 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 -1.182 -22.405 -1.814 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 -0.823 -23.675 -1.022 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 15.737 -28.659 -9.133 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 16.639 -28.358 -9.265 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 15.826 -29.414 -8.505 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 12.983 -12.001 -2.180 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 13.885 -11.710 -2.407 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 12.710 -11.394 -1.466 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 0.701 -15.129 3.595 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 0.407 -15.202 4.528 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 -0.093 -14.805 3.121 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 -0.109 -16.523 -4.759 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 0.669 -17.085 -4.902 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 0.231 -15.607 -4.885 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 9.697 -15.082 -7.286 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 9.736 -14.714 -8.193 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 9.927 -16.022 -7.405 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 16.354 -14.947 -3.314 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 16.457 -14.649 -4.223 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 15.927 -15.825 -3.396 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 0.741 -13.897 -4.654 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 1.442 -13.270 -4.417 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 -0.083 -13.421 -4.445 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 8.593 -16.952 14.554 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 7.692 -16.605 14.543 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 8.506 -17.822 15.008 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 13.164 -16.549 12.866 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 12.689 -16.312 12.037 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 12.524 -16.315 13.581 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 3.688 -23.233 15.445 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 2.995 -23.284 14.779 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 3.205 -23.317 16.303 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 16.268 -25.890 22.632 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 16.828 -25.472 21.949 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 16.763 -26.703 22.879 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 10.497 -18.214 9.831 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 9.909 -18.180 10.596 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 10.980 -17.366 9.867 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 6.116 -21.968 15.817 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 5.911 -21.207 16.402 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 5.260 -22.183 15.395 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 6.477 -20.191 22.489 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 5.502 -20.245 22.580 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 6.783 -21.089 22.694 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 11.728 -15.861 10.658 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 11.413 -15.447 9.826 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 10.926 -15.886 11.227 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 15.196 -18.390 12.907 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 15.172 -18.818 13.773 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 14.391 -17.818 12.901 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 9.679 -18.410 7.193 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 8.882 -17.856 7.232 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 9.979 -18.460 8.122 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 17.813 -24.612 20.687 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 18.360 -24.910 19.922 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 18.423 -24.083 21.217 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 13.598 -22.122 12.030 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 13.710 -22.638 12.864 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 12.808 -21.597 12.189 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 14.002 -24.520 21.989 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 14.740 -25.096 22.304 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 13.852 -23.911 22.720 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 6.405 -18.459 19.713 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 6.063 -18.404 20.623 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 7.221 -18.968 19.800 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 3.720 -20.274 22.843 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 3.504 -20.408 23.795 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 3.093 -19.600 22.554 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 11.173 -15.803 14.588 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 10.299 -16.242 14.642 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 11.101 -15.059 15.192 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 6.106 -17.484 22.383 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 6.671 -16.929 22.974 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 6.372 -18.409 22.593 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 -2.811 -16.044 23.336 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 -3.785 -15.956 23.380 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 -2.537 -15.331 22.753 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 10.221 -15.472 8.427 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 10.200 -14.782 7.733 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 9.372 -15.937 8.323 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 7.609 -13.982 12.446 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 7.361 -13.632 13.311 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 6.806 -14.475 12.145 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 11.644 -25.061 20.167 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 10.681 -25.158 20.352 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 11.949 -24.416 20.820 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 4.069 -16.341 23.899 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 4.712 -16.780 23.311 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 4.023 -16.933 24.683 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 7.563 -33.221 22.191 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 7.545 -33.610 23.085 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 8.490 -33.353 21.888 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 11.735 -24.676 17.422 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 11.293 -25.455 17.030 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 11.671 -24.824 18.387 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 4.155 -25.479 24.316 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 4.926 -26.077 24.338 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 3.654 -25.775 23.535 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 8.994 -25.641 20.591 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 8.517 -26.394 20.172 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 8.713 -25.677 21.532 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 2.982 -20.574 25.465 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 3.223 -21.512 25.577 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 1.996 -20.562 25.548 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 1.171 -17.923 12.976 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 1.236 -16.946 12.899 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 1.173 -18.089 13.937 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 5.576 -19.994 17.613 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 5.789 -19.358 18.327 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 4.867 -20.563 18.005 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 -1.666 -22.278 24.791 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 -1.502 -22.588 25.703 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -2.020 -23.070 24.334 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 4.572 -23.039 25.383 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 4.851 -23.245 26.281 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 4.320 -23.914 25.001 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 15.610 -15.671 12.072 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 14.715 -15.667 12.476 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 15.939 -16.568 12.247 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 13.250 -23.149 14.519 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 12.380 -23.455 14.805 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 13.797 -23.203 15.329 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 -1.120 -16.199 10.822 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 -0.210 -16.173 11.158 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 -1.568 -15.488 11.300 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 0.381 -23.074 12.144 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 0.269 -22.113 11.970 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 0.166 -23.167 13.092 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 5.696 -15.728 20.233 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 5.667 -16.200 21.090 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 5.900 -16.429 19.588 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 1.114 -15.216 12.441 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 0.255 -14.864 12.765 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 1.600 -14.423 12.160 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 7.635 -19.269 15.745 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 6.955 -19.328 16.443 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 7.709 -20.173 15.413 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 17.678 -13.962 9.399 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 17.824 -13.934 10.368 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 16.743 -14.251 9.307 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 5.075 -19.733 8.646 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 5.613 -20.300 9.207 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 4.970 -18.910 9.168 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 5.398 -15.339 11.684 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 4.658 -14.804 11.363 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 5.264 -16.211 11.255 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 -0.026 -20.395 11.667 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 0.123 -19.581 12.181 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 -0.999 -20.408 11.510 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 9.331 -16.135 11.966 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 9.167 -16.541 12.840 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 8.787 -15.322 11.978 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 7.906 -25.552 23.105 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 7.220 -26.230 23.307 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 7.420 -24.702 23.145 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 3.701 -13.767 9.714 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 4.346 -13.015 9.650 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 3.020 -13.439 10.333 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 14.267 -23.829 17.003 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 13.319 -24.058 17.165 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 14.662 -23.809 17.898 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 2.119 -18.702 10.491 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 1.597 -19.520 10.542 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 1.975 -18.280 11.364 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 1.544 -12.526 25.708 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 0.586 -12.321 25.751 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 1.596 -13.455 25.954 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 7.558 -16.694 8.098 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 6.705 -16.268 7.885 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 7.436 -17.023 8.997 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.239 -20.364 25.441 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 -0.378 -19.688 25.767 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 -0.342 -21.028 25.020 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 1.362 -18.946 7.782 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 0.557 -18.389 7.836 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 1.772 -18.850 8.665 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 0.862 -25.792 27.004 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 1.488 -25.717 26.279 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 0.225 -25.071 26.849 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 3.692 -24.366 8.291 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 2.799 -24.130 8.611 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 4.254 -24.253 9.061 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 4.294 -22.473 21.241 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 4.197 -22.142 20.312 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 3.935 -21.744 21.790 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 3.418 -24.916 20.197 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 2.970 -24.502 19.426 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 3.689 -24.155 20.750 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 7.291 -23.571 19.851 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 8.017 -24.195 20.055 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 7.005 -23.251 20.717 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 6.242 -23.169 23.018 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 5.534 -23.039 22.347 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 5.784 -23.037 23.872 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 5.972 -27.424 23.550 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 6.083 -28.366 23.736 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 5.243 -27.393 22.885 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 10.963 -29.686 23.428 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 10.254 -30.068 22.857 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 10.623 -28.792 23.662 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 9.991 -27.168 24.032 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 10.400 -26.594 24.686 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 9.246 -26.639 23.680 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 -3.288 -28.393 24.282 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 -2.804 -27.803 23.665 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 -4.229 -28.255 24.050 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 6.134 -31.573 25.300 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 6.459 -32.453 25.003 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 6.853 -31.226 25.832 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 3.762 -27.003 21.979 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 3.043 -27.666 21.896 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 3.592 -26.369 21.246 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 5.355 -11.688 9.821 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 6.318 -11.682 9.978 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 4.998 -11.054 10.478 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 1.297 -23.643 9.622 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 1.005 -23.558 10.560 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 1.133 -22.769 9.246 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 14.957 -21.405 9.829 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 14.514 -21.785 10.630 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 15.734 -20.932 10.192 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 17.612 -22.276 10.728 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 17.123 -23.100 10.508 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 18.115 -22.514 11.539 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 16.736 -19.591 10.942 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 16.253 -19.124 11.661 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 17.162 -20.341 11.390 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 14.690 -26.763 18.482 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 15.008 -26.789 17.560 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 14.921 -25.863 18.786 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 15.275 -24.299 19.563 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 16.183 -24.365 19.927 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 14.703 -24.255 20.358 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 16.506 -33.530 27.187 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 16.585 -32.717 27.743 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 17.369 -33.955 27.271 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 17.376 -31.311 28.508 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 17.617 -30.783 29.273 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 17.958 -30.971 27.788 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 4.342 -18.249 25.885 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 3.828 -19.074 25.741 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 4.634 -18.311 26.798 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 2.501 -14.245 22.124 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 2.345 -15.136 22.472 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 3.193 -13.878 22.716 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 7.674 -13.875 20.724 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 6.882 -14.425 20.541 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 8.365 -14.517 20.927 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 3.788 -13.731 19.733 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 4.496 -14.407 19.774 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 3.310 -13.840 20.584 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 7.572 -12.845 7.506 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 7.613 -12.746 8.479 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 8.491 -13.073 7.251 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 17.745 -14.017 12.169 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 17.578 -13.364 12.859 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 16.955 -14.603 12.196 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 1.957 -29.137 22.000 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 1.693 -29.733 22.718 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 2.524 -29.693 21.421 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 3.640 -32.638 24.914 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 4.512 -32.206 25.046 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 3.835 -33.596 24.987 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 4.562 -17.426 10.042 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 3.653 -17.774 10.181 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 4.482 -16.846 9.254 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 10.229 -37.004 26.615 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 10.530 -36.146 26.248 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 10.876 -37.197 27.330 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 -1.522 -24.305 26.772 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 -1.680 -25.074 27.365 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 -2.036 -24.518 25.966 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 13.099 -29.453 25.173 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 12.744 -29.822 25.989 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 12.392 -29.619 24.507 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 -1.524 -26.770 27.998 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 -1.700 -27.645 27.607 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 -0.563 -26.640 27.874 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 16.060 -13.402 1.437 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 16.500 -13.220 0.579 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 16.429 -12.737 2.042 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 4.465 -7.693 1.639 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 4.273 -8.287 0.898 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 4.373 -6.808 1.265 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 3.550 -8.319 -5.436 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 3.392 -8.129 -4.485 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 4.137 -7.614 -5.722 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 9.648 -11.097 -0.727 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 10.483 -10.723 -0.390 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 9.747 -11.060 -1.702 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 5.171 -11.107 3.966 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 4.334 -11.220 4.462 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 5.831 -10.901 4.664 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 12.207 -10.029 -0.234 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 11.681 -9.286 0.160 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 13.004 -9.582 -0.610 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 12.494 -11.282 2.194 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 12.380 -10.607 2.898 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 12.365 -10.781 1.359 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 3.588 -14.038 -3.028 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 3.021 -14.339 -2.285 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 3.432 -14.715 -3.736 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 10.359 -14.231 0.565 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 10.834 -13.554 1.064 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 10.861 -14.304 -0.276 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 7.202 -11.377 0.636 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 8.102 -11.312 0.254 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 7.142 -10.605 1.237 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 2.390 -10.722 -6.153 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 2.395 -11.118 -5.250 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 2.819 -9.844 -6.031 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 4.533 -11.121 -0.039 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 5.467 -11.306 0.191 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 4.020 -11.513 0.701 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 2.918 -7.771 -2.827 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 2.228 -7.221 -2.451 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 2.818 -8.633 -2.365 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 10.743 -8.180 1.054 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 10.698 -7.979 2.014 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 10.102 -7.582 0.658 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 9.573 -5.103 4.710 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 8.840 -4.938 5.312 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 10.069 -4.278 4.706 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 2.341 -11.738 -3.667 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 2.910 -12.482 -3.371 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 2.372 -11.103 -2.923 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 8.472 -9.318 4.389 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 7.865 -9.318 3.620 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 7.970 -9.790 5.089 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 -0.731 -8.316 5.686 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 -0.864 -8.983 4.983 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 -1.151 -8.720 6.479 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 10.402 -7.558 3.737 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 9.657 -8.130 4.044 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 10.155 -6.657 4.045 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 8.761 -13.598 -5.129 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 9.286 -14.121 -5.777 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 7.860 -13.650 -5.464 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 4.401 -12.621 -7.194 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 4.071 -11.772 -6.860 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 3.588 -13.134 -7.375 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 3.433 -16.103 -4.680 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 2.970 -16.852 -5.091 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 4.220 -15.963 -5.251 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 12.090 -9.612 4.377 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 11.637 -8.764 4.160 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 11.425 -10.113 4.871 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 2.646 -14.677 1.723 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 2.843 -13.715 1.805 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 1.966 -14.840 2.413 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 0.398 -5.148 9.443 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 -0.117 -5.408 8.648 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 -0.239 -5.230 10.176 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 6.543 -9.370 2.397 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 5.931 -8.645 2.173 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 5.980 -10.011 2.889 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 4.478 -9.195 6.648 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 4.236 -8.900 5.742 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 3.971 -8.594 7.237 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 5.332 -13.577 2.915 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 5.223 -12.615 3.088 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 5.828 -13.615 2.079 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 6.777 -10.607 6.109 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 6.053 -10.108 6.554 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 7.015 -11.309 6.749 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 0.568 -8.568 9.254 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 -0.251 -8.743 8.757 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 0.268 -8.432 10.168 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 4.901 -15.565 8.012 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 4.572 -14.872 8.622 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 5.131 -15.071 7.188 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 3.274 -11.578 5.925 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 2.888 -12.266 6.511 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 3.611 -10.897 6.541 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 -1.066 -5.962 7.179 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 -0.944 -6.824 6.736 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 -0.899 -5.316 6.484 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 14.522 -11.019 7.671 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 15.252 -10.668 8.233 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 14.610 -10.520 6.832 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 14.454 -8.992 -1.320 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 14.932 -9.743 -1.732 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 14.955 -8.216 -1.589 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 2.504 -10.076 -1.448 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 3.314 -10.423 -1.000 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 1.762 -10.492 -0.955 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 14.721 -9.764 5.254 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 15.029 -8.851 5.207 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 13.808 -9.729 4.885 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 -0.399 -10.465 -5.858 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 0.549 -10.604 -6.060 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 -0.513 -9.512 -5.914 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 1.829 -10.505 3.939 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 2.213 -11.007 4.694 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 2.388 -9.700 3.884 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 13.536 -13.143 3.946 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 13.134 -12.566 3.262 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 13.408 -14.052 3.598 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 13.366 -13.483 0.894 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 14.319 -13.484 1.120 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 13.043 -12.626 1.235 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 15.717 -11.152 -2.464 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 16.339 -11.089 -3.198 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 16.106 -11.841 -1.879 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 2.687 -11.951 1.759 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 1.992 -11.745 1.096 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 2.408 -11.455 2.559 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 1.805 -13.456 -7.649 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 1.663 -12.625 -7.169 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 0.997 -13.988 -7.450 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 10.219 -16.289 -11.992 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 9.357 -16.696 -12.233 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 10.662 -16.157 -12.838 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 5.842 -15.698 -5.875 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 6.031 -15.281 -6.740 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 6.364 -16.527 -5.887 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 2.177 -13.600 7.405 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 1.861 -14.452 7.076 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 2.764 -13.831 8.154 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 2.013 -12.364 11.508 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 1.268 -11.936 12.002 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 2.732 -11.694 11.546 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 10.068 -13.551 6.499 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 9.871 -13.704 5.568 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 10.919 -13.049 6.486 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 1.772 -6.360 18.160 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 2.337 -6.430 17.366 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 2.167 -6.996 18.797 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 -2.763 -5.841 17.671 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 -2.105 -6.567 17.644 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 -3.178 -5.859 16.775 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 -1.412 -8.926 19.568 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 -1.037 -8.506 18.761 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 -0.962 -8.480 20.299 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 2.609 -6.590 15.463 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 1.982 -7.335 15.353 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 2.296 -5.921 14.814 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 7.788 -11.900 18.786 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 8.185 -11.180 19.318 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 7.823 -12.676 19.375 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 5.259 -6.956 16.052 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 4.344 -6.727 15.774 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 5.699 -6.106 16.148 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 15.088 -14.818 9.467 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 14.354 -14.157 9.399 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 15.138 -15.021 10.422 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 -1.195 -3.730 17.039 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 -0.536 -3.839 17.752 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 -1.832 -4.458 17.194 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 0.169 -4.500 19.382 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 0.214 -4.931 20.262 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 0.802 -5.016 18.837 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 7.445 -11.740 22.441 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 7.436 -12.527 21.854 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 7.916 -11.057 21.914 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 6.333 -8.040 20.945 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 6.010 -8.590 21.700 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 5.536 -7.842 20.444 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 1.524 -5.088 13.424 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 0.765 -4.554 13.746 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 1.636 -4.811 12.507 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 2.225 -7.991 20.374 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 1.660 -7.301 20.777 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 2.288 -8.676 21.064 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 8.055 -12.326 10.245 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 8.988 -12.087 10.309 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 7.914 -12.947 10.994 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 2.907 -7.595 12.018 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 3.038 -7.083 12.828 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 3.058 -6.944 11.295 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 0.415 -8.245 14.894 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 0.136 -9.195 14.829 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 0.304 -7.908 13.986 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 2.970 -5.629 10.077 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 3.449 -4.846 9.783 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 2.025 -5.436 9.844 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 2.766 -7.579 8.072 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 3.014 -6.926 8.751 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 1.979 -8.035 8.459 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 4.015 -9.197 16.944 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 4.582 -9.782 17.493 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 4.589 -8.425 16.742 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 8.374 -9.910 20.594 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 9.097 -9.255 20.630 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 7.567 -9.361 20.528 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 -0.557 -7.523 17.366 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 -0.316 -7.775 16.448 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 0.232 -7.039 17.696 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 0.557 -6.184 21.628 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 0.995 -6.163 22.505 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 -0.329 -6.565 21.813 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 -0.917 -3.890 14.148 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 -0.970 -3.918 15.125 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 -1.565 -3.206 13.896 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 -1.734 -11.681 19.907 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 -1.556 -10.721 19.833 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 -0.919 -12.044 20.320 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 0.267 -8.253 12.060 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 1.238 -8.112 11.970 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 0.183 -9.215 12.277 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 -1.018 -5.743 11.815 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 -0.955 -5.265 12.664 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 -0.589 -6.610 11.992 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 8.936 -7.173 20.755 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 7.972 -7.325 20.838 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 9.062 -6.276 21.064 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 1.748 -9.380 22.905 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 0.902 -9.870 23.002 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 2.423 -10.001 23.258 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 5.413 -9.831 22.753 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 4.666 -10.219 23.249 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 6.082 -10.542 22.735 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 7.153 -13.120 24.754 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 7.520 -12.615 25.490 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 7.302 -12.542 23.967 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 3.365 -11.250 24.077 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 2.698 -11.527 24.747 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 3.863 -12.073 23.890 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 7.383 -15.786 24.080 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 7.333 -14.824 24.267 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 7.743 -16.165 24.888 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 -2.359 -1.245 17.018 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 -1.908 -2.115 17.047 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 -3.224 -1.408 17.450 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 1.561 -6.921 24.100 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 2.295 -6.874 24.725 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 1.645 -7.817 23.697 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 5.195 -11.129 18.509 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 4.860 -11.974 18.849 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 6.171 -11.256 18.482 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 5.003 -9.976 14.319 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 5.813 -9.500 14.531 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 4.464 -9.901 15.126 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 3.940 -10.313 11.809 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 3.534 -9.429 11.722 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 4.330 -10.307 12.714 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 0.546 -12.482 21.178 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 0.279 -11.956 21.961 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 1.229 -13.091 21.522 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 4.611 -13.665 23.796 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 5.496 -13.500 24.179 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 4.451 -14.622 23.966 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 14.656 -49.751 -12.900 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 14.709 -48.886 -12.423 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 15.212 -49.621 -13.690 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 18.861 -54.147 -7.077 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 18.694 -55.105 -7.038 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 19.733 -54.041 -6.637 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 20.053 -47.269 -13.604 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 19.670 -46.381 -13.448 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 20.906 -47.239 -13.161 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 19.334 -58.182 1.132 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 19.253 -58.057 2.106 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 18.744 -58.937 0.939 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 15.510 -56.624 -2.345 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 14.797 -56.797 -1.699 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 16.236 -57.231 -2.068 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 17.582 -58.202 -1.427 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 18.418 -57.767 -1.206 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 17.585 -59.009 -0.881 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 26.312 -53.551 -0.860 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 27.200 -53.192 -0.789 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 25.744 -52.765 -1.003 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 17.524 -60.194 0.580 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 16.637 -59.799 0.748 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 17.351 -61.165 0.546 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 21.325 -56.191 -1.285 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 22.091 -56.749 -1.533 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 21.334 -56.197 -0.310 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 21.387 -56.438 1.527 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 21.500 -56.633 2.468 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 20.661 -57.043 1.246 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 18.454 -56.839 -6.402 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 18.361 -56.688 -5.453 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 17.530 -56.889 -6.729 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 21.104 -57.739 -5.975 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 20.895 -58.692 -6.070 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 20.300 -57.289 -6.293 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 21.266 -54.043 -2.961 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 21.266 -54.824 -2.353 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 22.217 -53.881 -3.142 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 23.723 -57.447 -1.943 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 23.521 -57.240 -2.893 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 24.183 -58.291 -1.979 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 21.699 -54.455 6.117 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 20.992 -53.844 5.815 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 22.523 -54.022 5.816 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 19.396 -57.835 3.826 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 19.741 -57.502 4.685 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 19.008 -58.701 4.043 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 23.511 -52.446 5.415 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 24.461 -52.448 5.271 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 23.177 -51.742 4.811 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 20.065 -60.235 -6.332 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 19.662 -60.720 -5.608 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 19.484 -60.396 -7.081 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 23.921 -53.486 -3.250 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 24.262 -52.621 -2.959 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 24.025 -54.061 -2.460 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 18.625 -52.775 7.638 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 18.441 -51.862 7.945 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 19.060 -52.650 6.763 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 23.997 -54.913 -0.940 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 24.022 -55.864 -1.187 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 24.941 -54.669 -0.813 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 15.660 -59.077 4.228 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 16.521 -59.248 3.804 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 15.299 -58.293 3.741 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 23.917 -54.511 -5.789 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 24.126 -53.739 -6.357 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 24.073 -54.182 -4.878 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 23.193 -56.853 -4.498 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 23.575 -56.166 -5.082 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 22.433 -57.211 -5.016 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 22.417 -53.895 1.044 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 22.037 -54.756 1.322 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 22.990 -54.126 0.279 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 22.077 -47.480 -3.306 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 21.691 -47.920 -2.508 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 21.306 -47.296 -3.869 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 15.757 -56.444 -6.664 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 14.872 -56.743 -6.386 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 16.017 -55.804 -5.974 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 21.475 -51.429 -5.638 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 21.008 -51.187 -4.826 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 21.325 -52.397 -5.723 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 24.002 -51.927 -6.717 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 23.174 -51.625 -6.290 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 24.327 -51.148 -7.177 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 18.648 -53.876 -3.728 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 19.548 -54.060 -3.392 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 18.643 -52.908 -3.872 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 22.139 -51.229 7.576 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 22.665 -51.632 6.860 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 21.895 -51.983 8.145 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 20.444 -56.947 6.205 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 20.273 -57.109 7.152 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 20.935 -56.101 6.191 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 24.415 -51.553 -1.202 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 24.230 -51.402 -0.249 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 24.413 -50.642 -1.595 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 21.212 -54.125 -5.761 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 21.148 -54.340 -4.813 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 22.109 -54.429 -6.014 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 16.674 -62.738 0.960 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 15.719 -62.524 0.963 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 16.836 -63.104 1.841 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 20.567 -52.635 2.708 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 20.195 -51.877 2.197 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 21.201 -53.049 2.091 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 23.649 -51.440 1.489 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 23.205 -52.306 1.357 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 23.288 -51.117 2.343 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 21.647 -51.450 -1.738 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 22.599 -51.578 -1.579 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 21.360 -52.282 -2.147 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 17.754 -51.890 -8.059 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 18.503 -51.257 -8.127 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 18.187 -52.744 -7.810 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 20.043 -50.381 -7.763 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 20.623 -50.807 -7.102 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 20.089 -49.428 -7.540 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 18.604 -52.614 14.170 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 18.036 -53.240 13.670 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 19.489 -52.979 14.081 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 20.063 -57.755 8.915 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 19.184 -58.209 8.951 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 20.699 -58.476 8.923 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 21.104 -53.577 8.632 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 21.395 -54.067 7.832 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 20.166 -53.367 8.453 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 21.660 -54.573 11.096 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 21.483 -54.155 10.223 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 22.576 -54.356 11.281 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 17.475 -55.599 9.041 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 18.131 -55.698 9.763 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 16.836 -56.325 9.199 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 19.323 -55.980 10.990 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 19.640 -56.680 10.384 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 20.129 -55.449 11.181 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 20.087 -52.413 5.341 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 20.169 -51.440 5.307 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 20.154 -52.686 4.394 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 17.440 -52.781 10.221 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 17.895 -53.243 9.499 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 17.550 -51.838 10.006 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 19.894 -49.719 7.183 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 20.016 -49.403 6.275 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 20.759 -50.134 7.410 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 16.525 -43.631 -12.697 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 16.515 -43.043 -13.485 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 17.458 -43.937 -12.640 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 17.664 -48.569 -13.251 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 17.441 -48.011 -12.476 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 18.566 -48.273 -13.504 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 18.868 -40.713 -11.280 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 18.102 -40.471 -11.842 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 18.867 -40.056 -10.585 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 18.837 -45.072 -12.472 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 19.603 -44.979 -11.866 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 18.246 -45.709 -12.017 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 17.186 -44.858 -9.273 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 16.914 -44.929 -8.334 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 16.762 -44.031 -9.582 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 15.345 -45.914 -13.759 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 15.829 -45.175 -13.332 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 15.095 -46.503 -13.006 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 15.924 -48.918 -15.310 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 16.623 -48.724 -14.643 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 15.908 -48.112 -15.878 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 17.025 -46.759 -11.232 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 17.075 -46.145 -10.466 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 16.073 -47.007 -11.278 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 20.291 -47.782 -6.939 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 20.032 -47.539 -6.029 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 20.016 -47.008 -7.481 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 20.493 -35.671 4.007 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 19.514 -35.732 3.960 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 20.777 -36.575 4.205 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 21.389 -41.901 -3.942 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 22.288 -42.253 -3.787 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 21.155 -42.245 -4.829 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 25.319 -35.279 4.071 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 25.290 -35.181 5.045 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 26.113 -34.774 3.805 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 20.795 -39.642 6.182 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 20.335 -39.096 6.845 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 21.103 -40.418 6.689 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 17.883 -38.481 -3.359 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 17.291 -39.147 -2.948 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 17.389 -37.657 -3.295 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 20.881 -47.926 1.658 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 20.077 -47.393 1.840 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 20.557 -48.859 1.681 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 23.525 -42.721 -1.255 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 22.553 -42.619 -1.187 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 23.687 -42.842 -2.211 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 24.419 -37.028 2.094 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 24.503 -37.957 2.417 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 24.739 -36.484 2.848 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 21.079 -41.739 1.731 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 21.249 -41.708 0.776 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 20.261 -42.277 1.809 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 25.309 -37.083 8.038 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 24.954 -37.341 8.923 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 25.940 -37.779 7.827 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 22.426 -40.768 3.971 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 21.772 -40.317 4.541 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 21.904 -41.061 3.187 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 21.893 -33.934 5.767 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 22.214 -34.541 6.474 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 21.475 -34.532 5.114 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.058 -42.578 -6.567 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 20.116 -42.804 -6.743 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 21.159 -41.695 -6.939 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 23.862 -43.255 -3.944 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 24.334 -43.276 -4.783 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 23.982 -44.169 -3.580 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 21.062 -45.403 -10.875 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 21.414 -46.325 -10.827 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 21.830 -44.846 -10.694 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 25.185 -46.999 -0.673 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 25.157 -46.156 -0.177 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 25.175 -47.691 0.027 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 22.247 -44.881 -7.593 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 22.084 -44.051 -7.105 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 21.354 -45.196 -7.827 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 19.744 -45.631 -8.502 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 18.852 -45.244 -8.615 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 20.152 -45.545 -9.390 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 22.941 -35.683 7.511 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 22.248 -35.910 8.170 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 23.667 -36.309 7.703 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 24.623 -44.488 0.465 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 24.419 -43.802 -0.215 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 23.741 -44.814 0.741 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 22.096 -45.207 1.302 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 21.690 -46.084 1.178 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 21.436 -44.588 0.954 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 20.759 -42.514 -1.262 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 20.767 -42.251 -2.204 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 19.909 -43.012 -1.160 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 27.094 -33.343 3.240 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 27.774 -33.247 2.566 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 26.276 -33.013 2.807 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 19.512 -39.984 -5.099 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 19.022 -39.451 -4.437 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 20.082 -40.565 -4.564 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 25.402 -34.579 6.746 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 24.446 -34.549 6.940 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 25.720 -35.347 7.261 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 21.721 -30.588 -3.265 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 22.397 -31.292 -3.227 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 22.203 -29.773 -2.995 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 18.828 -43.285 1.718 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.979 -43.042 2.125 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 18.589 -43.543 0.797 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 22.996 -35.698 -1.953 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 22.342 -36.162 -2.489 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 23.519 -36.425 -1.532 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 24.224 -49.086 -2.293 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 24.701 -48.375 -1.821 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 23.515 -48.619 -2.772 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 23.076 -33.078 -3.108 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 23.071 -33.883 -2.555 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 23.487 -33.360 -3.931 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 22.890 -47.540 -8.036 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 22.965 -46.592 -7.802 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 22.167 -47.866 -7.470 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 24.100 -37.717 -0.530 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 24.192 -38.675 -0.583 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 24.268 -37.512 0.417 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 18.356 -42.741 -6.893 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 17.834 -41.934 -6.990 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 18.079 -43.106 -6.029 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 18.523 -32.037 11.646 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 19.305 -32.065 11.067 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 18.338 -31.087 11.749 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 19.629 -38.544 8.670 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 18.841 -38.529 9.264 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 20.188 -37.818 8.999 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 25.704 -43.461 2.735 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 26.650 -43.612 2.657 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 25.347 -43.707 1.854 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 22.949 -42.980 5.591 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 23.155 -43.777 5.066 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 22.931 -42.257 4.932 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 23.554 -44.941 3.633 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 23.008 -44.850 2.825 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 24.366 -44.424 3.435 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 24.684 -39.652 2.852 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 23.867 -39.971 3.295 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 25.250 -40.430 2.815 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 21.598 -41.873 7.623 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 22.185 -42.256 6.921 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 21.012 -42.600 7.859 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 23.267 -47.713 3.151 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 23.406 -46.794 3.463 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 22.421 -47.674 2.659 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 18.611 -46.400 2.125 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 18.024 -46.070 1.405 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 18.906 -45.593 2.572 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 22.799 -50.321 3.881 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 23.156 -49.415 3.766 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 21.846 -50.178 4.070 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 17.579 -38.956 -6.990 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 16.933 -39.370 -6.391 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 18.440 -39.152 -6.575 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 21.041 -33.791 1.950 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 21.831 -34.166 1.503 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 20.842 -34.435 2.658 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 20.135 -31.219 1.927 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 19.397 -31.438 2.529 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 20.632 -32.068 1.845 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 26.692 -32.307 5.762 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 26.316 -33.075 6.242 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 27.018 -32.689 4.922 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 23.259 -34.827 0.728 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 23.632 -35.633 1.146 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 23.196 -35.056 -0.220 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 24.860 -48.913 1.292 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 24.374 -48.453 2.007 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 24.529 -49.829 1.330 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 21.157 -48.795 -1.169 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 21.248 -49.764 -1.310 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 21.174 -48.692 -0.206 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 16.223 -35.280 -2.837 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 15.913 -35.291 -1.911 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 16.884 -34.574 -2.856 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 21.995 -47.929 -10.557 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 22.502 -47.844 -9.716 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 21.510 -48.755 -10.456 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 24.255 -45.752 -2.997 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 23.469 -46.315 -3.164 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 24.697 -46.179 -2.237 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 17.889 -48.547 3.844 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 17.981 -47.782 3.248 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 17.565 -49.270 3.261 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 20.123 -49.879 4.262 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 20.027 -50.236 3.349 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 19.328 -49.303 4.369 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 17.380 -31.036 -4.700 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 17.737 -31.503 -3.910 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 16.812 -31.707 -5.132 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 21.240 -41.166 19.135 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 21.271 -40.711 19.978 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 20.556 -41.860 19.261 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 18.234 -36.391 14.950 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 17.628 -36.957 15.468 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 18.880 -37.018 14.572 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 20.725 -43.587 15.473 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 21.626 -43.897 15.238 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 20.887 -42.769 15.990 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 18.549 -41.951 14.711 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 19.230 -42.645 14.832 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 18.170 -42.140 13.831 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 20.034 -37.990 13.443 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 19.410 -37.821 12.702 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 20.850 -38.320 12.999 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 21.379 -41.096 16.432 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 21.519 -41.130 17.407 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 20.716 -40.381 16.314 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 22.586 -41.168 13.919 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 22.131 -41.180 14.788 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 21.965 -41.631 13.311 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 16.641 -39.278 21.094 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 16.884 -38.809 20.263 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 16.609 -40.224 20.829 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 16.958 -38.116 18.667 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 16.567 -37.289 19.023 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 16.766 -38.076 17.710 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 18.171 -33.749 15.705 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 18.439 -34.680 15.552 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 17.545 -33.808 16.468 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 23.482 -43.519 15.148 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 23.473 -42.765 14.531 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 24.120 -43.267 15.819 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 18.843 -45.585 15.604 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 19.599 -44.960 15.554 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 18.192 -45.224 14.966 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 17.256 -44.691 13.506 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 17.441 -43.939 12.901 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 17.204 -45.472 12.909 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 18.704 -47.949 14.017 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 18.846 -47.225 14.658 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 18.404 -47.498 13.209 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 22.671 -40.633 9.831 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 23.388 -40.055 9.534 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 22.319 -41.026 9.001 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 19.343 -39.488 15.623 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 19.657 -38.916 14.895 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 19.027 -40.298 15.171 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 19.397 -43.079 19.733 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 19.644 -43.581 20.536 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 19.091 -43.767 19.103 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 24.306 -33.458 12.045 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 23.449 -33.698 11.642 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 24.167 -32.542 12.369 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 19.119 -40.931 10.288 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 18.470 -40.201 10.472 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 19.621 -40.604 9.525 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 25.341 -35.997 11.998 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 25.036 -35.061 11.948 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 25.834 -36.037 12.820 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 23.538 -30.934 12.835 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 22.763 -30.642 13.332 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 24.017 -30.114 12.637 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 19.742 -44.338 22.136 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 19.132 -43.697 22.587 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 20.411 -44.533 22.801 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 15.713 -35.941 19.765 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 15.846 -35.542 20.637 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 14.740 -35.974 19.668 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 21.733 -33.910 11.098 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 21.035 -34.209 11.721 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 21.435 -33.024 10.812 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 22.228 -39.094 12.127 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 22.528 -39.700 12.839 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 22.183 -39.665 11.334 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 23.128 -29.916 9.299 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 23.063 -30.646 8.641 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 24.047 -29.610 9.220 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 18.629 -34.997 9.976 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 17.973 -34.952 9.274 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 18.375 -35.798 10.495 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 17.524 -42.406 12.008 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 18.184 -42.053 11.371 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 16.719 -41.899 11.816 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.883 -32.366 24.388 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 17.899 -32.353 24.374 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 19.109 -33.324 24.318 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 24.237 -37.928 10.414 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 24.688 -37.251 10.973 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 23.471 -38.203 10.952 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 21.079 -36.099 9.486 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 21.617 -35.528 10.071 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 20.190 -35.689 9.513 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 23.017 -31.567 7.157 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 22.671 -32.393 6.771 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 23.732 -31.297 6.548 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 17.408 -41.106 17.267 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 17.653 -40.170 17.364 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 17.865 -41.386 16.449 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 15.988 -44.334 24.446 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 15.073 -43.980 24.450 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 15.931 -45.138 25.011 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 18.149 -45.045 18.231 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 17.334 -44.567 17.957 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 18.502 -45.410 17.390 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 16.049 -43.518 17.222 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 16.399 -42.603 17.180 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 15.587 -43.637 16.360 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 17.243 -50.260 14.103 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 17.804 -51.072 14.085 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 17.894 -49.520 14.131 1.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 18.107 -46.067 20.796 1.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 18.121 -45.776 19.855 1.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 18.754 -45.476 21.238 1.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 16.176 -32.331 24.699 1.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 16.167 -32.745 25.587 1.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 15.488 -32.826 24.197 1.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 16.366 -34.363 17.606 1.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 16.388 -34.966 18.373 1.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 15.515 -33.889 17.705 1.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 19.930 -35.170 12.727 1.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 19.457 -35.836 12.179 1.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 20.401 -35.700 13.386 1.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 15.690 -49.160 12.109 1.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 14.789 -49.476 12.350 1.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 16.278 -49.618 12.751 1.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 21.203 -42.008 11.731 1.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 20.375 -41.684 11.324 1.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 21.897 -41.738 11.099 1.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 20.904 -31.647 4.753 1.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 21.362 -32.427 5.135 1.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 20.011 -31.969 4.557 1.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 17.256 -25.537 -2.421 1.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 17.374 -26.497 -2.453 1.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 17.002 -25.297 -3.337 1.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 17.612 -21.064 0.062 1.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 17.342 -22.000 -0.069 1.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 18.596 -21.095 0.064 1.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 23.412 -21.250 4.228 1.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 24.326 -21.117 3.879 1.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 23.506 -21.118 5.199 1.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 22.393 -27.626 0.195 1.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 22.645 -27.571 1.138 1.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 21.420 -27.553 0.198 1.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 19.237 -25.270 0.825 1.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 19.512 -25.753 0.012 1.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 18.562 -25.851 1.231 1.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 23.448 -20.924 6.981 1.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 23.699 -20.061 7.370 1.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 24.014 -21.574 7.469 1.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 24.455 -32.994 2.506 1.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 24.386 -33.695 3.179 1.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 24.042 -33.389 1.711 1.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 21.550 -23.755 1.109 1.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 20.687 -24.218 1.071 1.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 22.110 -24.240 0.474 1.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 25.808 -20.846 3.010 1.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 26.239 -21.721 2.892 1.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 26.563 -20.217 3.103 1.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 21.413 -22.894 5.238 1.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 22.064 -22.429 4.674 1.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 21.708 -23.829 5.222 1.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 21.906 -17.110 7.452 1.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 21.578 -18.030 7.449 1.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 21.777 -16.815 8.383 1.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 27.623 -18.869 3.331 1.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 27.088 -18.109 3.650 1.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 28.528 -18.631 3.555 1.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 20.501 -17.869 -0.907 1.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 20.747 -17.024 -0.463 1.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 20.974 -17.838 -1.747 1.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 19.971 -24.799 7.147 1.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 20.423 -25.071 7.964 1.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 20.568 -25.099 6.434 1.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 22.509 -25.399 -3.125 1.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 23.019 -25.182 -3.913 1.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 21.583 -25.150 -3.362 1.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 23.661 -27.127 7.349 1.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 23.157 -27.106 8.191 1.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 24.499 -27.567 7.584 1.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 17.395 -27.193 1.522 1.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 18.168 -27.727 1.238 1.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 16.653 -27.837 1.520 1.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 16.776 -25.022 -5.096 1.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 16.876 -25.994 -5.208 1.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 16.311 -24.732 -5.914 1.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 23.341 -25.162 -0.454 1.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 23.110 -26.094 -0.265 1.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 23.162 -25.062 -1.412 1.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 19.860 -24.966 -3.718 1.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 19.279 -25.059 -2.942 1.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 19.251 -24.810 -4.451 1.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 19.331 -28.933 0.673 1.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 19.101 -29.068 -0.273 1.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 19.696 -29.797 0.956 1.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 24.676 -24.921 1.960 1.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 24.249 -24.864 1.076 1.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 24.829 -23.999 2.209 1.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 25.945 -16.891 4.230 1.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 25.896 -15.930 4.188 1.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 25.447 -17.123 5.055 1.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 22.463 -21.273 1.561 1.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 22.911 -21.338 2.420 1.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 22.136 -22.188 1.390 1.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 24.845 -18.854 -0.912 1.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 25.686 -18.949 -1.371 1.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 24.705 -19.710 -0.490 1.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 24.310 -18.535 2.765 1.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 24.850 -19.343 2.645 1.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 24.895 -17.930 3.270 1.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 26.898 -23.361 2.920 1.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 26.841 -24.187 2.417 1.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 27.335 -23.612 3.741 1.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 19.545 -29.353 -4.407 1.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 18.982 -30.093 -4.709 1.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 20.390 -29.788 -4.141 1.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 20.295 -20.492 0.080 1.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 21.118 -20.803 0.518 1.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 20.554 -19.658 -0.349 1.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 18.767 -11.696 8.425 1.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 18.324 -12.517 8.748 1.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 18.792 -11.803 7.465 1.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 21.353 -16.797 10.107 1.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 21.005 -16.040 10.624 1.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 22.225 -16.985 10.511 1.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 29.187 -19.854 10.851 1.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 30.005 -19.459 10.474 1.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 29.505 -20.380 11.611 1.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 17.227 -24.581 7.374 1.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 17.091 -24.894 8.293 1.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 18.164 -24.801 7.181 1.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 23.549 -27.340 2.701 1.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 24.046 -26.510 2.509 1.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 24.240 -28.021 2.774 1.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 22.257 -25.563 5.487 1.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 22.750 -26.028 6.202 1.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 22.718 -25.825 4.677 1.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 24.014 -30.180 3.368 1.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 24.159 -31.095 3.055 1.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 24.424 -30.163 4.260 1.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 22.308 -24.598 8.887 1.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 23.153 -24.368 9.328 1.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 22.164 -25.534 9.130 1.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 25.118 -30.151 5.921 1.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 25.393 -29.615 6.683 1.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 25.793 -30.873 5.875 1.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 20.985 -31.286 10.470 1.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 21.897 -30.994 10.265 1.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 20.419 -30.695 9.916 1.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 17.062 -13.226 -1.208 1.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 16.879 -13.878 -1.921 1.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 18.036 -13.304 -1.057 1.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 18.054 -18.386 0.207 1.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 17.856 -19.352 0.145 1.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 18.868 -18.273 -0.331 1.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 20.024 -26.763 -1.313 1.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 19.462 -27.542 -1.507 1.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 20.640 -26.725 -2.060 1.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 19.982 -15.381 2.930 1.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 20.255 -15.768 3.791 1.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 19.318 -14.707 3.177 1.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 20.273 -16.294 5.474 1.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 21.000 -16.498 6.103 1.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 19.719 -15.646 5.954 1.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 16.494 -15.763 2.896 1.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 16.102 -15.094 2.305 1.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 17.184 -15.266 3.385 1.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 21.129 -15.589 0.457 1.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 20.793 -15.434 1.370 1.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 22.058 -15.896 0.589 1.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 23.490 -16.995 0.619 1.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 23.768 -17.449 1.439 1.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 23.962 -17.481 -0.090 1.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 18.482 -29.017 -1.906 1.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 18.861 -29.142 -2.803 1.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 17.830 -29.750 -1.819 1.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 22.741 -28.142 -2.460 1.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 22.735 -28.087 -1.483 1.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 22.844 -27.218 -2.751 1.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 17.317 -27.730 -4.766 1.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 16.830 -28.563 -4.701 1.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 18.257 -28.005 -4.757 1.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 22.064 -29.114 6.299 1.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 22.258 -29.953 6.760 1.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 22.655 -28.465 6.720 1.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 26.267 -21.570 15.417 1.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 26.234 -21.135 16.306 1.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 25.422 -21.336 15.010 1.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 18.939 -22.291 18.334 1.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 19.076 -23.260 18.407 1.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 18.019 -22.163 18.582 1.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 21.172 -21.624 16.985 1.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 20.317 -21.792 17.451 1.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 21.491 -20.801 17.367 1.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 19.687 -24.482 10.561 1.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 19.540 -24.069 11.435 1.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 19.974 -25.396 10.777 1.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 18.734 -23.467 12.928 1.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 18.116 -24.177 13.218 1.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 19.383 -23.404 13.661 1.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 20.172 -26.950 11.520 1.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 20.318 -26.777 12.476 1.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 19.404 -27.566 11.502 1.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 17.255 -25.829 13.454 1.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 17.636 -26.569 13.957 1.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 17.080 -26.209 12.566 1.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 24.626 -24.646 17.724 1.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 25.244 -24.688 16.964 1.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 25.176 -24.845 18.487 1.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 20.443 -26.247 14.180 1.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 20.559 -25.284 14.308 1.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 19.852 -26.512 14.906 1.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 17.504 -21.951 7.944 1.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 17.529 -22.121 8.906 1.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 17.381 -22.847 7.547 1.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 29.789 -20.794 13.446 1.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 30.657 -20.692 13.853 1.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 29.210 -20.187 13.959 1.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 24.890 -22.319 8.740 1.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 24.966 -23.164 9.226 1.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 25.487 -21.710 9.221 1.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 26.090 -20.077 17.669 1.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 25.798 -19.137 17.570 1.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 26.103 -20.219 18.620 1.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 21.933 -24.303 17.375 1.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 22.890 -24.506 17.509 1.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 21.897 -23.327 17.369 1.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 24.028 -15.399 18.767 1.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 23.951 -14.443 18.692 1.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 23.619 -15.605 19.614 1.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 25.660 -28.816 8.480 1.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 26.446 -29.373 8.554 1.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 25.763 -28.158 9.213 1.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 19.473 -24.974 18.516 1.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 19.118 -25.589 17.832 1.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 20.421 -24.878 18.278 1.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 28.000 -22.971 13.599 1.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 27.405 -22.407 14.127 1.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 28.750 -22.384 13.380 1.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 22.027 -27.327 9.525 1.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 22.189 -28.296 9.501 1.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 21.395 -27.211 10.271 1.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 17.058 -24.903 10.053 1.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 18.024 -24.786 10.192 1.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 16.888 -25.834 10.351 1.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 22.363 -28.199 13.805 1.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 21.676 -28.862 13.586 1.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 21.852 -27.405 14.062 1.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 26.465 -24.329 15.686 1.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 27.314 -24.438 15.239 1.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 26.321 -23.361 15.686 1.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 19.394 -29.429 9.303 1.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 18.943 -29.190 10.144 1.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 19.103 -28.757 8.680 1.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 27.099 -18.765 12.246 1.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 27.396 -18.914 13.167 1.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 27.882 -18.999 11.701 1.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 20.680 -23.592 14.975 1.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 21.087 -24.092 15.713 1.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 20.777 -22.662 15.245 1.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 31.552 -18.636 10.103 1.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 32.489 -18.857 10.052 1.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 31.511 -17.712 9.838 1.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 25.380 -17.478 17.498 1.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 26.051 -17.070 16.915 1.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 24.911 -16.714 17.896 1.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 28.015 -19.169 14.834 1.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 27.432 -19.756 15.340 1.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 27.903 -18.289 15.268 1.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 22.590 -14.587 13.056 1.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 22.258 -14.522 13.955 1.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 21.780 -14.622 12.502 1.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 17.466 -28.297 23.062 1.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 16.886 -28.753 23.720 1.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 18.349 -28.707 23.202 1.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 24.514 -18.934 8.692 1.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 24.262 -18.311 9.407 1.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 25.252 -19.453 9.077 1.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 23.943 -17.372 10.948 1.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 24.207 -17.960 11.669 1.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 24.355 -16.510 11.178 1.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 26.770 -16.185 13.201 1.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 26.165 -15.627 12.669 1.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 26.871 -16.999 12.672 1.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 26.539 -25.039 12.390 1.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 27.172 -24.315 12.585 1.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 26.173 -25.270 13.254 1.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 27.433 -16.690 15.760 1.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 27.160 -16.460 14.836 1.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 28.010 -15.965 16.022 1.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 24.758 -24.639 10.245 1.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 24.932 -25.581 10.070 1.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 25.210 -24.473 11.096 1.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 18.261 -28.407 14.527 1.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 18.179 -29.322 14.876 1.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 18.317 -28.531 13.560 1.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 20.349 -14.613 11.523 1.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 19.408 -14.577 11.789 1.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 20.504 -13.742 11.086 1.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 24.402 -17.509 6.351 1.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 24.672 -18.015 7.143 1.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 23.523 -17.154 6.589 1.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 26.454 -20.379 10.064 1.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 26.339 -19.908 10.912 1.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 27.421 -20.389 9.932 1.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 24.888 -14.860 11.690 1.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 24.886 -14.103 11.094 1.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 24.094 -14.717 12.264 1.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 18.407 -26.531 16.514 1.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.390 -27.354 15.984 1.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 17.482 -26.207 16.475 1.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 19.034 -30.555 26.489 1.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 19.101 -31.296 25.855 1.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 19.127 -29.767 25.939 1.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 18.401 -31.170 14.777 1.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 19.275 -31.135 14.359 1.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 18.412 -32.004 15.292 1.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 15.797 -25.866 15.965 1.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 15.977 -25.756 15.013 1.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 15.235 -25.094 16.193 1.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 13.844 -27.347 23.489 1.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 14.753 -27.039 23.634 1.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 13.692 -27.993 24.208 1.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 20.575 -30.079 12.929 1.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 20.842 -30.645 12.176 1.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 19.769 -29.619 12.604 1.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 24.879 -28.382 12.898 1.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 23.962 -28.173 13.206 1.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 25.343 -28.647 13.700 1.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 20.559 -12.096 10.496 1.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 19.976 -11.867 9.742 1.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 21.095 -11.310 10.627 1.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 25.895 -27.184 10.656 1.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 25.488 -27.677 11.406 1.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 26.411 -26.477 11.093 1.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 19.659 -29.872 23.644 1.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 19.360 -30.796 23.806 1.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 20.608 -29.950 23.517 1.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 18.426 -14.732 6.884 1.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 18.469 -14.378 7.797 1.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 17.701 -15.382 6.920 1.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 19.729 -13.602 -0.840 1.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 20.459 -12.990 -0.966 1.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 20.144 -14.383 -0.412 1.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 16.043 -12.088 4.358 1.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 15.196 -12.556 4.209 1.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 15.773 -11.218 4.712 1.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 17.995 -13.977 4.272 1.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 17.379 -13.207 4.288 1.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 18.232 -14.110 5.213 1.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 16.697 -9.952 8.918 1.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 17.016 -9.130 9.297 1.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 17.498 -10.510 8.842 1.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 13.184 -12.961 9.077 1.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 13.704 -12.168 8.830 1.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 12.513 -13.027 8.385 1.00 0.00 WAT1 END